| 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 | 31 | Very low | 33.5 | Very low | 243 Ų | 243 | 113.4 Ų | 113.4 | 100% | 1.197 | 81% | 0.809 | S | S | * | * | 0 | 152.5 | 0 | -75.3 | -67.8 | -164.5 | 0 | 0 | 108 | |||||
| 2 | A | 27.5 | Very low | 36.7 | Very low | 108 Ų | 108 | 114.8 Ų | 114.8 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | trans | -13 | 141.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 3 | G | 31.1 | Very low | 40.7 | Very low | 75 Ų | 75 | 107.5 Ų | 107.5 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | cis | -179 | 159.9 | 1.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 4 | V | 31 | Very low | 44.3 | Very low | 153 Ų | 153 | 105.8 Ų | 105.8 | 93% | 0.927 | 72% | 0.722 | S | S | * | * | trans | -83.3 | 134.9 | -170 | 179.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 5 | G | 30.4 | Very low | 47.7 | Very low | 68 Ų | 68 | 103.1 Ų | 103.1 | 70% | 0.701 | 70% | 0.702 | S | S | * | * | trans | -148.7 | 108.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | G7 | G5-G7 PolarHBondContact O-N 2.9Š| ||
| 6 | P | 30.6 | Very low | 50.7 | Low | 132 Ų | 132 | 97.2 Ų | 97.2 | 86% | 0.857 | 66% | 0.662 | S | S | * | * | trans | -87 | 102.5 | -179.2 | 32.4 | -31.4 | 0 | 0 | 0 | 111.1 | ||||
| 7 | G | 28.3 | Very low | 53.4 | Low | 78 Ų | 78 | 95.4 Ų | 95.4 | 80% | 0.804 | 65% | 0.648 | S | S | * | * | trans | 177.7 | 116.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G5 | G5-G7 PolarHBondContact O-N 2.9Š| ||
| 8 | G | 30 | Very low | 55.9 | Low | 72 Ų | 72 | 95.3 Ų | 95.3 | 74% | 0.742 | 64% | 0.636 | S | S | * | * | trans | -164 | 118.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 9 | Y | 31.3 | Very low | 58.1 | Low | 143 Ų | 143 | 90.6 Ų | 90.6 | 56% | 0.561 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -74.5 | 119.9 | 154.8 | -69.6 | -76.9 | 0 | 0 | 0 | 106.2 | K113 | Y9-K113 HydrophobicContact CD1-CD 4.17Å; Y9-K113 HydrophobicContact CE1-CD 3.5Å; Y9-K113 VanDerWaalsContact CE1-CD 3.5Å |
| 10 | A | 45.3 | Very low | 60 | Low | 90 Ų | 90 | 88 Ų | 88 | 74% | 0.744 | 59% | 0.587 | S | S | * | * | S | Bend | trans | 33.4 | 90.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | E12 | A10-E12 PolarHBondContact O-N 3.21Š|
| 11 | A | 52.4 | Low | 61.9 | Low | 85 Ų | 85 | 86.5 Ų | 86.5 | 70% | 0.702 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 130.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | F13 | A11-F13 PolarHBondContact O-N 2.88Š|
| 12 | E | 72 | Confident | 65.1 | Low | 130 Ų | 130 | 76.5 Ų | 76.5 | 61% | 0.607 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 131.2 | -177.3 | -175.1 | 167.1 | -162.5 | 0 | 0 | 109.7 | A10 V14 K392 | A10-E12 PolarHBondContact O-N 3.21Å; E12-V14 WeakPolarHBondContact O-CG2 3.22Å; E12-V14 PolarHBondContact O-N 3.1Å; E12-K392 WeakPolarHBondContact OE1-CE 3.48Å; E12-K392 IonicContact OE1-NZ 2.8Å; E12-K392 PolarHBondContact OE1-NZ 3.23Å |
| 13 | F | 88.7 | Confident | 68.4 | Low | 21 Ų | 21 | 77.6 Ų | 77.6 | 9% | 0.092 | 51% | 0.512 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 138 | -178.8 | 173.6 | -96.5 | 0 | 0 | 0 | 110.7 | A11 P15 E391 W395 Y504 P542 N543 | A11-F13 PolarHBondContact O-N 2.88Å; F13-P15 HydrophobicContact CD1-CG 4.34Å; F13-P15 HydrophobicContact CE1-CB 4.29Å; F13-P15 HydrophobicContact CE1-CG 3.94Å; F13-E391 HydrophobicContact CD1-CG 4.11Å; F13-E391 HydrophobicContact CE1-CG 3.5Å; F13-E391 WeakPolarHBondContact CE1-OE1 3.47Å; F13-E391 HydrophobicContact CZ-CG 4.09Å; F13-W395 HydrophobicContact CB-CB 4.26Å; F13-W395 HydrophobicContact CD2-CB 3.94Å; F13-W395 AromaticContact CD2-CD1 3.34Å; F13-W395 HydrophobicContact CD2-CD2 4.43Å; F13-W395 AromaticContact CD2-CG 3.63Å; F13-W395 HydrophobicContact CD2-CG 3.63Å; F13-W395 AromaticContact CD2-NE1 3.98Å; F13-W395 AromaticContact CE1-CD1 3.96Å; F13-W395 AromaticContact CE2-CD1 3.26Å; F13-W395 HydrophobicContact CE2-CD2 4.35Å; F13-W395 AromaticContact CE2-CG 3.87Å; F13-W395 HydrophobicContact CE2-CG 3.87Å; F13-W395 AromaticContact CE2-NE1 3.42Å; F13-W395 HydrophobicContact CG-CB 4.16Å; F13-W395 AromaticContact CG-CD1 3.71Å; F13-W395 HydrophobicContact CG-CG 4.14Å; F13-W395 AromaticContact CZ-CD1 3.58Å; F13-W395 AromaticContact CZ-NE1 3.6Å; F13-Y504 HydrophobicContact CZ-CE1 4.29Å; F13-P542 HydrophobicContact CE2-CB 4.45Å; F13-P542 HydrophobicContact CE2-CG 4.39Å; F13-N543 WeakPolarHBondContact CD2-OD1 3.35Å; F13-N543 WeakPolarHBondContact CE2-OD1 3.38Å |
| 14 | V | 91.2 | Very high | 71.5 | Confident | 83 Ų | 83 | 74.5 Ų | 74.5 | 50% | 0.503 | 48% | 0.479 | S | S | . | . | trans | -119.6 | 108.6 | -176.4 | -178 | 0 | 0 | 0 | 0 | 107.8 | E12 P16 N543 | E12-V14 WeakPolarHBondContact O-CG2 3.22Å; E12-V14 PolarHBondContact O-N 3.1Å; V14-P16 WeakPolarHBondContact O-CD 3.43Å; V14-N543 PolarHBondContact N-ND2 3.22Å; V14-N543 PolarHBondContact N-OD1 3.07Å; V14-N543 PolarHBondContact O-OD1 2.94Å | ||
| 15 | P | 94.4 | Very high | 74.4 | Confident | 66 Ų | 66 | 69.8 Ų | 69.8 | 43% | 0.429 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -51.6 | 125.7 | 178.3 | -28.6 | 35.2 | 0 | 0 | 0 | 111.8 | F13 | F13-P15 HydrophobicContact CD1-CG 4.34Å; F13-P15 HydrophobicContact CE1-CB 4.29Å; F13-P15 HydrophobicContact CE1-CG 3.94Å |
| 16 | P | 95.9 | Very high | 77.4 | Confident | 8 Ų | 8 | 72.2 Ų | 72.2 | 5% | 0.052 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 168.4 | 174.1 | -21.2 | 31.5 | 0 | 0 | 0 | 112 | V14 Y504 P542 M546 V552 R554 | V14-P16 WeakPolarHBondContact O-CD 3.43Å; P16-Y504 HydrophobicContact CG-CD1 4.12Å; P16-Y504 HydrophobicContact CG-CE1 4.17Å; P16-P542 HydrophobicContact CG-CB 3.68Å; P16-P542 HydrophobicContact CG-CG 4.46Å; P16-M546 HydrophobicContact CB-CE 4.44Å; P16-M546 HydrophobicContact CB-SD 3.77Å; P16-M546 HydrophobicContact CG-SD 3.8Å; P16-V552 HydrophobicContact CB-CB 4.49Å; P16-V552 HydrophobicContact CB-CG1 4.43Å; P16-V552 HydrophobicContact CG-CG1 4.29Å; P16-R554 HydrophobicContact CB-CB 4.48Å; P16-R554 HydrophobicContact CB-CG 4.02Å; P16-R554 HydrophobicContact CG-CG 4.4Å; P16-R554 VanDerWaalsContact O-CD 3.3Å; P16-R554 WeakPolarHBondContact O-CD 3.38Å; P16-R554 WeakPolarHBondContact O-CG 3.32Å |
| 17 | P | 96.9 | Very high | 80.2 | Confident | 66 Ų | 66 | 73.9 Ų | 73.9 | 43% | 0.429 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 143.8 | 171.9 | 25 | -35.3 | 0 | 0 | 0 | 112.3 | V552 Y553 R554 | P17-V552 WeakPolarHBondContact CD-O 3.28Å; P17-V552 WeakPolarHBondContact CG-O 3.46Å; P17-Y553 HydrophobicContact CB-CD1 4.18Å; P17-Y553 HydrophobicContact CB-CE1 4.43Å; P17-Y553 HydrophobicContact CG-CD1 3.78Å; P17-Y553 HydrophobicContact CG-CE1 3.97Å; P17-Y553 CarbonylContact O-C 3.51Å; P17-Y553 VanDerWaalsContact O-CA 3.24Å; P17-Y553 WeakPolarHBondContact O-CA 3.23Å; P17-R554 PolarHBondContact O-N 3.47Å |
| 18 | E | 97.6 | Very high | 83.2 | Confident | 94 Ų | 94 | 73 Ų | 73 | 44% | 0.439 | 41% | 0.412 | S | S | . | . | B | Isolated β-bridge | trans | -65.3 | 146 | 172.6 | -78.9 | -75.3 | 138 | 0 | 0 | 111.9 | R554 T555 | E18-R554 CarbonylContact C-O 3.52Å; E18-R554 VanDerWaalsContact CA-O 3.25Å; E18-R554 WeakPolarHBondContact CA-O 3.34Å; E18-R554 IonicContact OE1-CZ 2.92Å; E18-R554 IonicContact OE1-NE 3.94Å; E18-R554 PolarHBondContact OE1-NE 2.96Å; E18-R554 IonicContact OE1-NH2 2.68Å; E18-R554 PolarHBondContact OE1-NH2 3.28Å; E18-T555 WeakPolarHBondContact OE1-CA 3.42Å; E18-T555 VanDerWaalsContact OE2-CA 3.3Å; E18-T555 WeakPolarHBondContact OE2-CA 3.2Å; E18-T555 VanDerWaalsContact OE2-CB 3.23Å; E18-T555 WeakPolarHBondContact OE2-CB 3.45Å; E18-T555 PolarHBondContact OE2-OG1 3.04Å |
| 19 | C | 97.6 | Very high | 86.2 | Confident | 6 Ų | 6 | 70 Ų | 70 | 4% | 0.041 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 161.8 | 169.6 | 83.4 | 0 | 0 | 0 | 0 | 111.2 | I48 R554 | C19-I48 HydrophobicContact CB-CG1 4.05Å; C19-R554 PolarHBondContact N-O 2.83Å |
| 20 | P | 97.7 | Very high | 89.1 | Confident | 38 Ų | 38 | 68.4 Ų | 68.4 | 25% | 0.247 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 138.9 | 175.7 | 27.9 | -34.3 | 0 | 0 | 0 | 111.5 | F22 T46 C49 K50 | P20-F22 HydrophobicContact CB-CE2 3.79Å; P20-F22 HydrophobicContact CB-CZ 3.94Å; P20-F22 HydrophobicContact CG-CE2 3.9Å; P20-F22 HydrophobicContact CG-CZ 4.23Å; P20-T46 WeakPolarHBondContact CD-OG1 3.24Å; P20-T46 HydrophobicContact CG-CG2 4.47Å; P20-C49 HydrophobicContact CG-CB 3.99Å; P20-K50 PolarHBondContact O-N 3.4Å; P20-K50 VanDerWaalsContact O-N 3.08Å |
| 21 | V | 98.2 | Very high | 91.2 | Very high | 57 Ų | 57 | 66.7 Ų | 66.7 | 35% | 0.345 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 134 | 172.4 | -172.7 | 0 | 0 | 0 | 0 | 108.7 | K50 R52 | V21-K50 CarbonylContact C-O 3.52Å; V21-K50 WeakPolarHBondContact CA-O 3.44Å; V21-K50 HydrophobicContact CG2-CB 4.33Å; V21-R52 HydrophobicContact CG1-CG 4.19Å |
| 22 | F | 98.1 | Very high | 93.3 | Very high | 34 Ų | 34 | 62.7 Ų | 62.7 | 15% | 0.149 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 133.6 | 177.8 | -60.4 | -85.5 | 0 | 0 | 0 | 110.6 | P20 P24 F35 I39 L42 A43 C49 K50 I51 R52 | P20-F22 HydrophobicContact CB-CE2 3.79Å; P20-F22 HydrophobicContact CB-CZ 3.94Å; P20-F22 HydrophobicContact CG-CE2 3.9Å; P20-F22 HydrophobicContact CG-CZ 4.23Å; F22-P24 WeakPolarHBondContact O-CD 3.49Å; F22-F35 HydrophobicContact CB-CE1 4.28Å; F22-F35 HydrophobicContact CB-CZ 4.02Å; F22-I39 HydrophobicContact CD1-CB 4.23Å; F22-I39 HydrophobicContact CD1-CG2 3.59Å; F22-I39 HydrophobicContact CD2-CB 4.44Å; F22-I39 HydrophobicContact CD2-CD1 3.78Å; F22-I39 HydrophobicContact CD2-CG2 4.42Å; F22-I39 HydrophobicContact CE1-CB 3.87Å; F22-I39 HydrophobicContact CE1-CG2 3.64Å; F22-I39 HydrophobicContact CE2-CB 4.1Å; F22-I39 HydrophobicContact CE2-CD1 3.96Å; F22-I39 HydrophobicContact CE2-CG2 4.46Å; F22-I39 HydrophobicContact CG-CB 4.5Å; F22-I39 HydrophobicContact CG-CD1 4.21Å; F22-I39 HydrophobicContact CG-CG2 4Å; F22-I39 HydrophobicContact CZ-CB 3.8Å; F22-I39 HydrophobicContact CZ-CG2 4.09Å; F22-L42 HydrophobicContact CZ-CB 4.35Å; F22-A43 HydrophobicContact CE2-CB 4.17Å; F22-A43 HydrophobicContact CZ-CB 4.49Å; F22-C49 HydrophobicContact CD2-CB 4.15Å; F22-C49 HydrophobicContact CE2-CB 3.79Å; F22-K50 PolarHBondContact N-O 2.88Å; F22-I51 WeakPolarHBondContact O-CA 3.43Å; F22-R52 PolarHBondContact O-N 3.08Å |
| 23 | E | 97.4 | Very high | 94.3 | Very high | 131 Ų | 131 | 56.7 Ų | 56.7 | 61% | 0.612 | 30% | 0.301 | S | S | * | . | trans | -119.7 | 77.8 | 179.3 | -49.2 | -163 | 163.3 | 0 | 0 | 108.4 | R52 | E23-R52 HydrophobicContact CG-CB 4.13Å; E23-R52 WeakPolarHBondContact OE1-CD 3.31Å; E23-R52 IonicContact OE1-CZ 3.71Å; E23-R52 IonicContact OE1-NE 3.64Å; E23-R52 IonicContact OE1-NH1 2.63Å; E23-R52 PolarHBondContact OE1-NH1 3.14Å | ||
| 24 | P | 95.9 | Very high | 94.4 | Very high | 10 Ų | 10 | 58.4 Ų | 58.4 | 7% | 0.065 | 32% | 0.316 | C | S | . | . | trans | -56.3 | 143.8 | -177.7 | 18.7 | -33.3 | 0 | 0 | 0 | 113.9 | F22 E28 F29 F35 I51 R52 | F22-P24 WeakPolarHBondContact O-CD 3.49Å; P24-E28 HydrophobicContact CB-CB 3.95Å; P24-F29 HydrophobicContact CB-CB 4.28Å; P24-F29 HydrophobicContact CB-CD2 4.48Å; P24-F29 HydrophobicContact CG-CB 4.47Å; P24-F29 HydrophobicContact CG-CD2 3.8Å; P24-F35 HydrophobicContact CB-CD2 4.34Å; P24-F35 HydrophobicContact CB-CE1 4.11Å; P24-F35 HydrophobicContact CB-CE2 3.81Å; P24-F35 HydrophobicContact CB-CZ 3.68Å; P24-F35 HydrophobicContact CG-CE1 4.03Å; P24-F35 HydrophobicContact CG-CZ 4Å; P24-I51 HydrophobicContact CG-CG2 3.98Å; P24-R52 VanDerWaalsContact CD-O 3.31Å; P24-R52 WeakPolarHBondContact CD-O 3.29Å | ||
| 25 | S | 93.4 | Very high | 94.5 | Very high | 54 Ų | 54 | 55 Ų | 55 | 38% | 0.378 | 29% | 0.294 | S | S | . | . | trans | -67.2 | 161 | 162.5 | 61.2 | 0 | 0 | 0 | 0 | 111.4 | E27 E28 F29 | S25-E27 VanDerWaalsContact C-N 3.26Å; S25-E27 PolarHBondContact O-N 3.46Å; S25-E28 PolarHBondContact N-OE2 2.65Å; S25-E28 CarbonylContact O-C 3.59Å; S25-E28 PolarHBondContact O-N 2.76Å; S25-E28 VanDerWaalsContact OG-CG 3.32Å; S25-E28 WeakPolarHBondContact OG-CG 3.33Å; S25-E28 PolarHBondContact OG-N 3.2Å; S25-E28 PolarHBondContact OG-OE2 2.98Å; S25-F29 WeakPolarHBondContact O-CB 3.43Å; S25-F29 PolarHBondContact O-N 2.74Å | ||
| 26 | W | 92.8 | Very high | 94.6 | Very high | 118 Ų | 118 | 51.9 Ų | 51.9 | 45% | 0.447 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -36.8 | 177.5 | -86.2 | 110.3 | 0 | 0 | 0 | 113.4 | F29 T30 P54 D56 W57 | W26-F29 HydrophobicContact CE3-CD1 4.4Å; W26-F29 HydrophobicContact CZ3-CD1 4.35Å; W26-F29 PolarHBondContact O-N 3.48Å; W26-T30 PolarHBondContact O-N 3.06Å; W26-T30 PolarHBondContact O-OG1 2.95Å; W26-P54 HydrophobicContact CD2-CB 4Å; W26-P54 HydrophobicContact CD2-CG 3.79Å; W26-P54 HydrophobicContact CE3-CG 4.15Å; W26-P54 HydrophobicContact CG-CB 4.4Å; W26-P54 HydrophobicContact CG-CG 4.12Å; W26-P54 HydrophobicContact CZ2-CB 3.83Å; W26-P54 HydrophobicContact CZ2-CG 4.35Å; W26-D56 HydrophobicContact CZ2-CB 4.26Å; W26-W57 HydrophobicContact CH2-CB 4.1Å |
| 27 | E | 88.1 | Confident | 94.4 | Very high | 168 Ų | 168 | 52.8 Ų | 52.8 | 79% | 0.785 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -40.6 | 174.2 | -64.8 | -179.8 | -160.4 | 0 | 0 | 112 | S25 | S25-E27 VanDerWaalsContact C-N 3.26Å; S25-E27 PolarHBondContact O-N 3.46Å |
| 28 | E | 91.6 | Very high | 94.3 | Very high | 59 Ų | 59 | 57 Ų | 57 | 28% | 0.276 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -75.6 | -30.9 | 176.8 | -70.8 | 173 | 118.7 | 0 | 0 | 112.8 | P24 S25 T30 F35 R38 | P24-E28 HydrophobicContact CB-CB 3.95Å; S25-E28 PolarHBondContact N-OE2 2.65Å; S25-E28 CarbonylContact O-C 3.59Å; S25-E28 PolarHBondContact O-N 2.76Å; S25-E28 VanDerWaalsContact OG-CG 3.32Å; S25-E28 WeakPolarHBondContact OG-CG 3.33Å; S25-E28 PolarHBondContact OG-N 3.2Å; S25-E28 PolarHBondContact OG-OE2 2.98Å; E28-T30 PolarHBondContact O-N 3.17Å; E28-F35 HydrophobicContact CB-CD2 3.8Å; E28-F35 HydrophobicContact CB-CE2 4.06Å; E28-F35 HydrophobicContact CG-CD2 4.41Å; E28-R38 IonicContact OE1-CZ 2.94Å; E28-R38 IonicContact OE1-NH1 2.73Å; E28-R38 PolarHBondContact OE1-NH1 3.17Å |
| 29 | F | 93.8 | Very high | 94.2 | Very high | 8 Ų | 8 | 52.9 Ų | 52.9 | 4% | 0.035 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -75.4 | -6.3 | 176.7 | -162.8 | -108.2 | 0 | 0 | 0 | 112.6 | P24 S25 W26 P53 P54 W57 W443 | P24-F29 HydrophobicContact CB-CB 4.28Å; P24-F29 HydrophobicContact CB-CD2 4.48Å; P24-F29 HydrophobicContact CG-CB 4.47Å; P24-F29 HydrophobicContact CG-CD2 3.8Å; S25-F29 WeakPolarHBondContact O-CB 3.43Å; S25-F29 PolarHBondContact O-N 2.74Å; W26-F29 HydrophobicContact CE3-CD1 4.4Å; W26-F29 HydrophobicContact CZ3-CD1 4.35Å; W26-F29 PolarHBondContact O-N 3.48Å; F29-P53 HydrophobicContact CE1-CB 4.38Å; F29-P53 HydrophobicContact CE2-CB 3.78Å; F29-P53 HydrophobicContact CE2-CG 3.97Å; F29-P53 HydrophobicContact CZ-CB 3.61Å; F29-P53 HydrophobicContact CZ-CG 3.93Å; F29-P54 HydrophobicContact CB-CG 4.18Å; F29-P54 HydrophobicContact CD1-CG 4.12Å; F29-P54 HydrophobicContact CG-CG 4.07Å; F29-W57 HydrophobicContact CE1-CB 4.34Å; F29-W57 AromaticContact CE1-CD1 3.74Å; F29-W57 AromaticContact CE1-CD2 3.79Å; F29-W57 HydrophobicContact CE1-CD2 3.79Å; F29-W57 AromaticContact CE1-CE2 3.89Å; F29-W57 HydrophobicContact CE1-CE3 4.47Å; F29-W57 AromaticContact CE1-CG 3.71Å; F29-W57 HydrophobicContact CE1-CG 3.71Å; F29-W57 AromaticContact CE1-NE1 3.84Å; F29-W57 AromaticContact CZ-CD2 3.83Å; F29-W57 HydrophobicContact CZ-CD2 3.83Å; F29-W57 HydrophobicContact CZ-CE3 4.05Å; F29-W57 HydrophobicContact CZ-CG 4.18Å; F29-W57 HydrophobicContact CZ-CZ2 4.45Å; F29-W57 HydrophobicContact CZ-CZ3 4.44Å; F29-W443 AromaticContact CD1-CD1 3.85Å; F29-W443 AromaticContact CD1-NE1 3.87Å; F29-W443 AromaticContact CD2-CD1 3.9Å; F29-W443 HydrophobicContact CD2-CD2 4.14Å; F29-W443 AromaticContact CD2-CE2 3.46Å; F29-W443 VanDerWaalsContact CD2-CE2 3.46Å; F29-W443 HydrophobicContact CD2-CG 4.4Å; F29-W443 AromaticContact CD2-CZ2 3.76Å; F29-W443 HydrophobicContact CD2-CZ2 3.76Å; F29-W443 AromaticContact CD2-NE1 3.3Å; F29-W443 VanDerWaalsContact CD2-NE1 3.3Å; F29-W443 AromaticContact CE1-CD1 3.52Å; F29-W443 HydrophobicContact CE1-CG 4.03Å; F29-W443 AromaticContact CE1-NE1 3.92Å; F29-W443 AromaticContact CE2-CD1 3.58Å; F29-W443 AromaticContact CE2-CD2 3.5Å; F29-W443 HydrophobicContact CE2-CD2 3.5Å; F29-W443 AromaticContact CE2-CE2 3.33Å; F29-W443 HydrophobicContact CE2-CE3 4.17Å; F29-W443 AromaticContact CE2-CG 3.68Å; F29-W443 HydrophobicContact CE2-CG 3.68Å; F29-W443 AromaticContact CE2-CZ2 3.88Å; F29-W443 HydrophobicContact CE2-CZ2 3.88Å; F29-W443 AromaticContact CE2-NE1 3.37Å; F29-W443 AromaticContact CG-NE1 3.56Å; F29-W443 HydrophobicContact CZ-CB 4.02Å; F29-W443 AromaticContact CZ-CD1 3.37Å; F29-W443 AromaticContact CZ-CD2 3.82Å; F29-W443 HydrophobicContact CZ-CD2 3.82Å; F29-W443 AromaticContact CZ-CE2 3.97Å; F29-W443 AromaticContact CZ-CG 3.47Å; F29-W443 HydrophobicContact CZ-CG 3.47Å; F29-W443 VanDerWaalsContact CZ-CG 3.47Å; F29-W443 AromaticContact CZ-NE1 3.68Å; F29-W443 VanDerWaalsContact O-CD1 3.29Å; F29-W443 PolarHBondContact O-NE1 3.38Å |
| 30 | T | 91.8 | Very high | 94.1 | Very high | 110 Ų | 110 | 55.8 Ų | 55.8 | 68% | 0.675 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -73.3 | -34 | -179.3 | -62 | 0 | 0 | 0 | 0 | 112.5 | W26 E28 | W26-T30 PolarHBondContact O-N 3.06Å; W26-T30 PolarHBondContact O-OG1 2.95Å; E28-T30 PolarHBondContact O-N 3.17Å |
| 31 | D | 90.6 | Very high | 93.9 | Very high | 54 Ų | 54 | 57.1 Ų | 57.1 | 29% | 0.289 | 29% | 0.292 | S | S | . | . | trans | -123.7 | 104.5 | 176.2 | 179.1 | -11.9 | 0 | 0 | 0 | 110.6 | L33 S34 F35 | D31-L33 VanDerWaalsContact C-N 3.35Å; D31-L33 PolarHBondContact O-N 2.95Å; D31-L33 PolarHBondContact OD1-N 2.76Å; D31-S34 VanDerWaalsContact CG-CB 3.43Å; D31-S34 VanDerWaalsContact CG-OG 3.3Å; D31-S34 PolarHBondContact OD1-N 3.15Å; D31-S34 WeakPolarHBondContact OD2-CB 3.41Å; D31-S34 PolarHBondContact OD2-OG 3.17Å; D31-F35 WeakPolarHBondContact O-CB 3.43Å; D31-F35 PolarHBondContact O-N 3.47Å | ||
| 32 | P | 94.7 | Very high | 93.7 | Very high | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.013 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.3 | -38.9 | -179.1 | -14.3 | 22.2 | 0 | 0 | 0 | 113.6 | F35 I36 G442 W443 M448 L451 | P32-F35 PolarHBondContact O-N 3.36Å; P32-I36 WeakPolarHBondContact O-CB 3.34Å; P32-I36 WeakPolarHBondContact O-CD1 3.47Å; P32-I36 WeakPolarHBondContact O-CG1 3.31Å; P32-I36 PolarHBondContact O-N 2.7Å; P32-G442 VanDerWaalsContact CG-C 3.44Å; P32-G442 WeakPolarHBondContact CG-O 3.46Å; P32-W443 HydrophobicContact CB-CD2 3.98Å; P32-W443 HydrophobicContact CB-CE3 4.34Å; P32-W443 HydrophobicContact CB-CH2 4.16Å; P32-W443 HydrophobicContact CB-CZ2 3.78Å; P32-W443 HydrophobicContact CB-CZ3 4.43Å; P32-W443 HydrophobicContact CG-CD2 4.01Å; P32-W443 HydrophobicContact CG-CG 4.04Å; P32-W443 HydrophobicContact CG-CZ2 4.4Å; P32-M448 HydrophobicContact CB-CE 3.6Å; P32-M448 HydrophobicContact CG-CE 3.99Å; P32-L451 HydrophobicContact CG-CD1 4.26Å |
| 33 | L | 93.8 | Very high | 93.6 | Very high | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -80.6 | -38.1 | -170.8 | -65.1 | -179.3 | 0 | 0 | 0 | 110.8 | D31 F35 I36 G37 M448 L451 Q453 F586 T588 | D31-L33 VanDerWaalsContact C-N 3.35Å; D31-L33 PolarHBondContact O-N 2.95Å; D31-L33 PolarHBondContact OD1-N 2.76Å; L33-F35 VanDerWaalsContact C-N 3.31Å; L33-F35 PolarHBondContact O-N 3.32Å; L33-I36 PolarHBondContact O-N 3.12Å; L33-G37 PolarHBondContact O-N 3.29Å; L33-M448 HydrophobicContact CD2-CG 4.24Å; L33-M448 HydrophobicContact CD2-SD 4.33Å; L33-L451 HydrophobicContact CD1-CB 3.84Å; L33-L451 HydrophobicContact CD1-CD1 3.81Å; L33-L451 HydrophobicContact CD1-CG 4.46Å; L33-L451 HydrophobicContact CG-CD1 3.93Å; L33-Q453 HydrophobicContact CB-CB 4.14Å; L33-Q453 VanDerWaalsContact CB-OE1 3.24Å; L33-Q453 HydrophobicContact CD1-CB 3.85Å; L33-F586 HydrophobicContact CD2-CD2 3.59Å; L33-F586 HydrophobicContact CD2-CE2 3.64Å; L33-T588 HydrophobicContact CD2-CG2 4.25Å |
| 34 | S | 90.5 | Very high | 93.5 | Very high | 57 Ų | 57 | 55.3 Ų | 55.3 | 40% | 0.399 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.8 | -37 | 167.2 | -68.3 | 0 | 0 | 0 | 0 | 112.2 | D31 G37 R38 Q453 | D31-S34 VanDerWaalsContact CG-CB 3.43Å; D31-S34 VanDerWaalsContact CG-OG 3.3Å; D31-S34 PolarHBondContact OD1-N 3.15Å; D31-S34 WeakPolarHBondContact OD2-CB 3.41Å; D31-S34 PolarHBondContact OD2-OG 3.17Å; S34-G37 PolarHBondContact O-N 3.25Å; S34-R38 PolarHBondContact O-N 3.32Å; S34-Q453 PolarHBondContact OG-NE2 3.33Å |
| 35 | F | 94.8 | Very high | 93.4 | Very high | 10 Ų | 10 | 61 Ų | 61 | 4% | 0.044 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.1 | -46 | 176 | -175.9 | -108.3 | 0 | 0 | 0 | 112.6 | F22 P24 E28 D31 P32 L33 G37 R38 I39 I51 W443 | F22-F35 HydrophobicContact CB-CE1 4.28Å; F22-F35 HydrophobicContact CB-CZ 4.02Å; P24-F35 HydrophobicContact CB-CD2 4.34Å; P24-F35 HydrophobicContact CB-CE1 4.11Å; P24-F35 HydrophobicContact CB-CE2 3.81Å; P24-F35 HydrophobicContact CB-CZ 3.68Å; P24-F35 HydrophobicContact CG-CE1 4.03Å; P24-F35 HydrophobicContact CG-CZ 4Å; E28-F35 HydrophobicContact CB-CD2 3.8Å; E28-F35 HydrophobicContact CB-CE2 4.06Å; E28-F35 HydrophobicContact CG-CD2 4.41Å; D31-F35 WeakPolarHBondContact O-CB 3.43Å; D31-F35 PolarHBondContact O-N 3.47Å; P32-F35 PolarHBondContact O-N 3.36Å; L33-F35 VanDerWaalsContact C-N 3.31Å; L33-F35 PolarHBondContact O-N 3.32Å; F35-G37 VanDerWaalsContact C-N 3.28Å; F35-G37 PolarHBondContact O-N 3.2Å; F35-R38 WeakPolarHBondContact O-CA 3.46Å; F35-R38 WeakPolarHBondContact O-CB 3.31Å; F35-R38 PolarHBondContact O-N 3.35Å; F35-I39 HydrophobicContact CD1-CD1 4.5Å; F35-I39 HydrophobicContact CE1-CD1 4.16Å; F35-I39 HydrophobicContact CE1-CG2 4.15Å; F35-I39 HydrophobicContact CE2-CG2 4.13Å; F35-I39 HydrophobicContact CZ-CG2 3.86Å; F35-I39 PolarHBondContact O-N 3.13Å; F35-I51 HydrophobicContact CD1-CD1 4.31Å; F35-I51 HydrophobicContact CE1-CD1 4.12Å; F35-I51 HydrophobicContact CE1-CG1 4.48Å; F35-I51 HydrophobicContact CE1-CG2 4.07Å; F35-W443 HydrophobicContact CD1-CH2 4.16Å; F35-W443 HydrophobicContact CD1-CZ2 4.24Å |
| 36 | I | 95.7 | Very high | 93.6 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.4 | -41.5 | 174.6 | -71.2 | 164.6 | 0 | 0 | 0 | 110.1 | P32 L33 R38 I39 R40 I51 Y490 V564 F586 | P32-I36 WeakPolarHBondContact O-CB 3.34Å; P32-I36 WeakPolarHBondContact O-CD1 3.47Å; P32-I36 WeakPolarHBondContact O-CG1 3.31Å; P32-I36 PolarHBondContact O-N 2.7Å; L33-I36 PolarHBondContact O-N 3.12Å; I36-R38 VanDerWaalsContact C-N 3.33Å; I36-R38 PolarHBondContact O-N 3.35Å; I36-I39 WeakPolarHBondContact O-CG1 3.3Å; I36-I39 PolarHBondContact O-N 3.13Å; I36-R40 WeakPolarHBondContact O-CB 3.24Å; I36-R40 PolarHBondContact O-N 3.19Å; I36-I51 HydrophobicContact CG1-CD1 4.39Å; I36-Y490 HydrophobicContact CG2-CD1 4.45Å; I36-Y490 HydrophobicContact CG2-CE1 4.01Å; I36-V564 HydrophobicContact CD1-CG2 4.23Å; I36-F586 HydrophobicContact CD1-CE2 4.24Å; I36-F586 HydrophobicContact CD1-CZ 3.82Å; I36-F586 HydrophobicContact CG2-CE2 4.48Å; I36-F586 HydrophobicContact CG2-CZ 4.41Å |
| 37 | G | 92.4 | Very high | 93.8 | Very high | 27 Ų | 27 | 53.4 Ų | 53.4 | 28% | 0.278 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.6 | -34.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L33 S34 F35 | L33-G37 PolarHBondContact O-N 3.29Å; S34-G37 PolarHBondContact O-N 3.25Å; F35-G37 VanDerWaalsContact C-N 3.28Å; F35-G37 PolarHBondContact O-N 3.2Å |
| 38 | R | 92.9 | Very high | 94.2 | Very high | 154 Ų | 154 | 45.4 Ų | 45.4 | 58% | 0.581 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -68.9 | -40.8 | 174.2 | 175.1 | 179.4 | -72.1 | -173.5 | -0.4 | 112.3 | E28 S34 F35 I36 P41 | E28-R38 IonicContact OE1-CZ 2.94Å; E28-R38 IonicContact OE1-NH1 2.73Å; E28-R38 PolarHBondContact OE1-NH1 3.17Å; S34-R38 PolarHBondContact O-N 3.32Å; F35-R38 WeakPolarHBondContact O-CA 3.46Å; F35-R38 WeakPolarHBondContact O-CB 3.31Å; F35-R38 PolarHBondContact O-N 3.35Å; I36-R38 VanDerWaalsContact C-N 3.33Å; I36-R38 PolarHBondContact O-N 3.35Å; R38-P41 WeakPolarHBondContact O-CD 3.37Å |
| 39 | I | 96 | Very high | 94.6 | Very high | 9 Ų | 9 | 42.6 Ų | 42.6 | 5% | 0.046 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -86.6 | -20.2 | -176.5 | 66.8 | 174.6 | 0 | 0 | 0 | 114.2 | F22 F35 I36 P41 L42 A43 I51 | F22-I39 HydrophobicContact CD1-CB 4.23Å; F22-I39 HydrophobicContact CD1-CG2 3.59Å; F22-I39 HydrophobicContact CD2-CB 4.44Å; F22-I39 HydrophobicContact CD2-CD1 3.78Å; F22-I39 HydrophobicContact CD2-CG2 4.42Å; F22-I39 HydrophobicContact CE1-CB 3.87Å; F22-I39 HydrophobicContact CE1-CG2 3.64Å; F22-I39 HydrophobicContact CE2-CB 4.1Å; F22-I39 HydrophobicContact CE2-CD1 3.96Å; F22-I39 HydrophobicContact CE2-CG2 4.46Å; F22-I39 HydrophobicContact CG-CB 4.5Å; F22-I39 HydrophobicContact CG-CD1 4.21Å; F22-I39 HydrophobicContact CG-CG2 4Å; F22-I39 HydrophobicContact CZ-CB 3.8Å; F22-I39 HydrophobicContact CZ-CG2 4.09Å; F35-I39 HydrophobicContact CD1-CD1 4.5Å; F35-I39 HydrophobicContact CE1-CD1 4.16Å; F35-I39 HydrophobicContact CE1-CG2 4.15Å; F35-I39 HydrophobicContact CE2-CG2 4.13Å; F35-I39 HydrophobicContact CZ-CG2 3.86Å; F35-I39 PolarHBondContact O-N 3.13Å; I36-I39 WeakPolarHBondContact O-CG1 3.3Å; I36-I39 PolarHBondContact O-N 3.13Å; I39-P41 VanDerWaalsContact C-CD 3.41Å; I39-P41 VanDerWaalsContact O-N 3.16Å; I39-L42 PolarHBondContact O-N 3.4Å; I39-A43 PolarHBondContact O-N 3.42Å; I39-I51 HydrophobicContact CD1-CD1 3.89Å; I39-I51 HydrophobicContact CD1-CG1 4.3Å |
| 40 | R | 95.2 | Very high | 94.8 | Very high | 66 Ų | 66 | 42.7 Ų | 42.7 | 25% | 0.249 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -43.5 | -47.5 | -179.6 | -176.2 | 180 | 73.6 | -120.6 | -11.5 | 114.2 | I36 L42 A43 E44 Y490 F566 D590 | I36-R40 WeakPolarHBondContact O-CB 3.24Å; I36-R40 PolarHBondContact O-N 3.19Å; R40-L42 PolarHBondContact O-N 3.41Å; R40-A43 PolarHBondContact O-N 3.5Å; R40-E44 HydrophobicContact CG-CB 4.22Å; R40-E44 WeakPolarHBondContact O-CB 3.31Å; R40-E44 PolarHBondContact O-N 3.09Å; R40-Y490 WeakPolarHBondContact CD-OH 3.23Å; R40-F566 HydrophobicContact CB-CE1 3.86Å; R40-F566 HydrophobicContact CG-CD1 4.04Å; R40-F566 HydrophobicContact CG-CE1 3.78Å; R40-D590 IonicContact CZ-OD1 3.49Å; R40-D590 IonicContact NE-OD2 2.74Å; R40-D590 IonicContact NH1-OD1 3.45Å; R40-D590 PolarHBondContact NH1-OD1 3.39Å; R40-D590 IonicContact NH1-OD2 2.85Å |
| 41 | P | 93.5 | Very high | 95.1 | Very high | 67 Ų | 67 | 37.5 Ų | 37.5 | 44% | 0.435 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.9 | -11.1 | -178.3 | -21.8 | 35.1 | 0 | 0 | 0 | 115.5 | R38 I39 K45 | R38-P41 WeakPolarHBondContact O-CD 3.37Å; I39-P41 VanDerWaalsContact C-CD 3.41Å; I39-P41 VanDerWaalsContact O-N 3.16Å; P41-K45 WeakPolarHBondContact O-CE 3.28Å; P41-K45 PolarHBondContact O-NZ 3.31Å |
| 42 | L | 94.9 | Very high | 95.5 | Very high | 108 Ų | 108 | 39.3 Ų | 39.3 | 57% | 0.565 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -103.1 | -51.3 | 169.5 | -84.5 | 65.7 | 0 | 0 | 0 | 110.8 | F22 I39 R40 K45 | F22-L42 HydrophobicContact CZ-CB 4.35Å; I39-L42 PolarHBondContact O-N 3.4Å; R40-L42 PolarHBondContact O-N 3.41Å; L42-K45 WeakPolarHBondContact O-CB 3.12Å; L42-K45 PolarHBondContact O-N 3.1Å |
| 43 | A | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.7 | -31.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | F22 I39 R40 K45 T46 G47 C49 F566 | F22-A43 HydrophobicContact CE2-CB 4.17Å; F22-A43 HydrophobicContact CZ-CB 4.49Å; I39-A43 PolarHBondContact O-N 3.42Å; R40-A43 PolarHBondContact O-N 3.5Å; A43-K45 PolarHBondContact O-N 3.38Å; A43-T46 PolarHBondContact O-N 3.14Å; A43-T46 PolarHBondContact O-OG1 2.61Å; A43-G47 PolarHBondContact O-N 2.98Å; A43-C49 HydrophobicContact CB-CB 3.71Å; A43-F566 HydrophobicContact CB-CD2 4.38Å; A43-F566 HydrophobicContact CB-CE1 4.24Å; A43-F566 HydrophobicContact CB-CE2 3.49Å; A43-F566 VanDerWaalsContact CB-CE2 3.49Å; A43-F566 HydrophobicContact CB-CZ 3.4Å; A43-F566 VanDerWaalsContact CB-CZ 3.4Å |
| 44 | E | 94.1 | Very high | 95.7 | Very high | 76 Ų | 76 | 40.6 Ų | 40.6 | 36% | 0.355 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -58.9 | -30.4 | 176.7 | -173.1 | -176.2 | 168.6 | 0 | 0 | 112 | R40 T46 G47 P507 F566 | R40-E44 HydrophobicContact CG-CB 4.22Å; R40-E44 WeakPolarHBondContact O-CB 3.31Å; R40-E44 PolarHBondContact O-N 3.09Å; E44-T46 PolarHBondContact O-N 3.09Å; E44-G47 PolarHBondContact O-N 3.33Å; E44-P507 WeakPolarHBondContact O-CB 3.31Å; E44-F566 HydrophobicContact CB-CD1 4.18Å |
| 45 | K | 95.3 | Very high | 95.8 | Very high | 129 Ų | 129 | 46.5 Ų | 46.5 | 56% | 0.561 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -72.7 | -12.5 | 178.1 | -63.6 | 165.3 | 179 | 148.3 | 0 | 113.9 | P41 L42 A43 P507 | P41-K45 WeakPolarHBondContact O-CE 3.28Å; P41-K45 PolarHBondContact O-NZ 3.31Å; L42-K45 WeakPolarHBondContact O-CB 3.12Å; L42-K45 PolarHBondContact O-N 3.1Å; A43-K45 PolarHBondContact O-N 3.38Å; K45-P507 WeakPolarHBondContact O-CB 3.35Å |
| 46 | T | 97.1 | Very high | 95.7 | Very high | 13 Ų | 13 | 51.8 Ų | 51.8 | 8% | 0.08 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -110.7 | -3.6 | 173.3 | 52.8 | 0 | 0 | 0 | 0 | 113.1 | P20 A43 E44 I48 Y553 | P20-T46 WeakPolarHBondContact CD-OG1 3.24Å; P20-T46 HydrophobicContact CG-CG2 4.47Å; A43-T46 PolarHBondContact O-N 3.14Å; A43-T46 PolarHBondContact O-OG1 2.61Å; E44-T46 PolarHBondContact O-N 3.09Å; T46-I48 PolarHBondContact O-N 2.94Å; T46-I48 PolarHBondContact OG1-O 3.2Å; T46-Y553 HydrophobicContact CG2-CD1 3.65Å; T46-Y553 HydrophobicContact CG2-CD2 3.85Å; T46-Y553 HydrophobicContact CG2-CE1 3.63Å; T46-Y553 HydrophobicContact CG2-CE2 3.83Å; T46-Y553 HydrophobicContact CG2-CG 3.77Å |
| 47 | G | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | S | Bend | trans | 72.4 | -36.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | A43 E44 F566 A569 | A43-G47 PolarHBondContact O-N 2.98Å; E44-G47 PolarHBondContact O-N 3.33Å; G47-F566 WeakPolarHBondContact O-CD2 3.43Å; G47-F566 PolarHBondContact O-N 3.35Å; G47-A569 VanDerWaalsContact CA-CB 3.45Å; G47-A569 WeakPolarHBondContact O-CB 3.46Å |
| 48 | I | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 156.2 | 170.4 | 66.4 | 177.2 | 0 | 0 | 0 | 110.5 | C19 T46 W503 V563 V564 T565 H571 | C19-I48 HydrophobicContact CB-CG1 4.05Å; T46-I48 PolarHBondContact O-N 2.94Å; T46-I48 PolarHBondContact OG1-O 3.2Å; I48-W503 HydrophobicContact CD1-CB 3.85Å; I48-V563 HydrophobicContact CB-CG1 4.47Å; I48-V564 VanDerWaalsContact CA-O 3.29Å; I48-V564 WeakPolarHBondContact CA-O 3.49Å; I48-T565 HydrophobicContact CG2-CG2 4.15Å; I48-H571 HydrophobicContact CG2-CB 4.18Å |
| 49 | C | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 166.4 | 161.3 | 71.3 | 0 | 0 | 0 | 0 | 111.6 | P20 F22 A43 V563 V564 | P20-C49 HydrophobicContact CG-CB 3.99Å; F22-C49 HydrophobicContact CD2-CB 4.15Å; F22-C49 HydrophobicContact CE2-CB 3.79Å; A43-C49 HydrophobicContact CB-CB 3.71Å; C49-V563 WeakPolarHBondContact O-CA 3.32Å; C49-V564 PolarHBondContact N-O 3.46Å; C49-V564 PolarHBondContact O-N 3.31Å |
| 50 | K | 98.5 | Very high | 95.6 | Very high | 10 Ų | 10 | 53.1 Ų | 53.1 | 4% | 0.043 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 137.8 | 177.3 | -162.8 | 168.3 | 64.7 | 158.4 | 0 | 111.2 | P20 V21 F22 T555 N556 E561 F562 V563 | P20-K50 PolarHBondContact O-N 3.4Å; P20-K50 VanDerWaalsContact O-N 3.08Å; V21-K50 CarbonylContact C-O 3.52Å; V21-K50 WeakPolarHBondContact CA-O 3.44Å; V21-K50 HydrophobicContact CG2-CB 4.33Å; F22-K50 PolarHBondContact N-O 2.88Å; K50-T555 HydrophobicContact CB-CG2 4.33Å; K50-T555 HydrophobicContact CD-CG2 3.98Å; K50-N556 PolarHBondContact NZ-O 2.92Å; K50-E561 HydrophobicContact CD-CB 4.24Å; K50-E561 VanDerWaalsContact CD-OE2 3.3Å; K50-E561 WeakPolarHBondContact CD-OE2 3.39Å; K50-E561 WeakPolarHBondContact CE-OE2 3.49Å; K50-E561 HydrophobicContact CG-CB 4.3Å; K50-E561 VanDerWaalsContact NZ-CD 3.29Å; K50-E561 IonicContact NZ-OE1 2.69Å; K50-E561 PolarHBondContact NZ-OE1 2.85Å; K50-E561 VanDerWaalsContact NZ-OE1 3.16Å; K50-E561 IonicContact NZ-OE2 2.76Å; K50-E561 PolarHBondContact NZ-OE2 3.22Å; K50-F562 CarbonylContact C-O 3.6Å; K50-F562 WeakPolarHBondContact CA-O 3.48Å; K50-F562 WeakPolarHBondContact CG-O 3.41Å; K50-V563 HydrophobicContact CG-CG2 4.19Å |
| 51 | I | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 130.9 | 180 | -53.6 | 176.2 | 0 | 0 | 0 | 109 | F22 P24 F35 I36 I39 W443 F562 V564 | F22-I51 WeakPolarHBondContact O-CA 3.43Å; P24-I51 HydrophobicContact CG-CG2 3.98Å; F35-I51 HydrophobicContact CD1-CD1 4.31Å; F35-I51 HydrophobicContact CE1-CD1 4.12Å; F35-I51 HydrophobicContact CE1-CG1 4.48Å; F35-I51 HydrophobicContact CE1-CG2 4.07Å; I36-I51 HydrophobicContact CG1-CD1 4.39Å; I39-I51 HydrophobicContact CD1-CD1 3.89Å; I39-I51 HydrophobicContact CD1-CG1 4.3Å; I51-W443 HydrophobicContact CD1-CH2 3.89Å; I51-W443 HydrophobicContact CD1-CZ3 4.17Å; I51-W443 HydrophobicContact CG2-CH2 4.05Å; I51-W443 HydrophobicContact CG2-CZ3 4.37Å; I51-F562 HydrophobicContact CB-CB 4.22Å; I51-F562 PolarHBondContact N-O 2.64Å; I51-F562 PolarHBondContact O-N 2.93Å; I51-V564 HydrophobicContact CD1-CG2 3.77Å |
| 52 | R | 98.1 | Very high | 95.5 | Very high | 92 Ų | 92 | 50.5 Ų | 50.5 | 35% | 0.347 | 25% | 0.246 | S | C | . | . | trans | -105.9 | 113.9 | 175.3 | -74.2 | 171 | 166.7 | 167.6 | 1.5 | 109.6 | V21 F22 E23 P24 E561 | V21-R52 HydrophobicContact CG1-CG 4.19Å; F22-R52 PolarHBondContact O-N 3.08Å; E23-R52 HydrophobicContact CG-CB 4.13Å; E23-R52 WeakPolarHBondContact OE1-CD 3.31Å; E23-R52 IonicContact OE1-CZ 3.71Å; E23-R52 IonicContact OE1-NE 3.64Å; E23-R52 IonicContact OE1-NH1 2.63Å; E23-R52 PolarHBondContact OE1-NH1 3.14Å; P24-R52 VanDerWaalsContact CD-O 3.31Å; P24-R52 WeakPolarHBondContact CD-O 3.29Å; R52-E561 HydrophobicContact CG-CG 4.11Å; R52-E561 IonicContact CZ-OE1 2.69Å; R52-E561 VanDerWaalsContact CZ-OE1 3.3Å; R52-E561 IonicContact NE-OE1 3.45Å; R52-E561 PolarHBondContact NE-OE1 3.12Å; R52-E561 IonicContact NH2-OE1 3.75Å; R52-E561 PolarHBondContact NH2-OE1 3.41Å | ||
| 53 | P | 97.4 | Very high | 95.1 | Very high | 18 Ų | 18 | 46.1 Ų | 46.1 | 12% | 0.117 | 22% | 0.224 | C | C | . | . | trans | -54.4 | 159 | 168.6 | -27.3 | 37.7 | 0 | 0 | 0 | 112.4 | F29 K55 W57 G560 F562 | F29-P53 HydrophobicContact CE1-CB 4.38Å; F29-P53 HydrophobicContact CE2-CB 3.78Å; F29-P53 HydrophobicContact CE2-CG 3.97Å; F29-P53 HydrophobicContact CZ-CB 3.61Å; F29-P53 HydrophobicContact CZ-CG 3.93Å; P53-K55 PolarHBondContact O-N 3.01Å; P53-W57 HydrophobicContact CB-CB 4.21Å; P53-W57 HydrophobicContact CB-CD2 4.21Å; P53-W57 HydrophobicContact CB-CE3 3.58Å; P53-W57 HydrophobicContact CB-CG 4.5Å; P53-W57 HydrophobicContact CB-CZ3 4.33Å; P53-W57 HydrophobicContact CG-CE3 3.65Å; P53-W57 HydrophobicContact CG-CZ3 3.89Å; P53-G560 WeakPolarHBondContact CD-O 3.36Å; P53-F562 HydrophobicContact CG-CD2 3.77Å; P53-F562 HydrophobicContact CG-CE2 3.7Å | ||
| 54 | P | 96 | Very high | 94.6 | Very high | 16 Ų | 16 | 52.3 Ų | 52.3 | 10% | 0.104 | 25% | 0.253 | C | S | . | . | trans | -48.8 | 136.4 | 161.4 | -24.9 | 34.7 | 0 | 0 | 0 | 110.2 | W26 F29 D56 W57 | W26-P54 HydrophobicContact CD2-CB 4Å; W26-P54 HydrophobicContact CD2-CG 3.79Å; W26-P54 HydrophobicContact CE3-CG 4.15Å; W26-P54 HydrophobicContact CG-CB 4.4Å; W26-P54 HydrophobicContact CG-CG 4.12Å; W26-P54 HydrophobicContact CZ2-CB 3.83Å; W26-P54 HydrophobicContact CZ2-CG 4.35Å; F29-P54 HydrophobicContact CB-CG 4.18Å; F29-P54 HydrophobicContact CD1-CG 4.12Å; F29-P54 HydrophobicContact CG-CG 4.07Å; P54-D56 PolarHBondContact O-N 3.05Å; P54-W57 WeakPolarHBondContact O-CB 3.49Å; P54-W57 PolarHBondContact O-N 2.96Å | ||
| 55 | K | 92.5 | Very high | 94.3 | Very high | 181 Ų | 181 | 50.7 Ų | 50.7 | 79% | 0.787 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | -21.1 | -170.9 | -68.3 | -177.8 | -179.5 | 176.1 | 0 | 114.4 | P53 W57 Q58 | P53-K55 PolarHBondContact O-N 3.01Å; K55-W57 VanDerWaalsContact C-N 3.35Å; K55-Q58 PolarHBondContact O-NE2 3.32Å |
| 56 | D | 91.9 | Very high | 93.8 | Very high | 121 Ų | 121 | 52.4 Ų | 52.4 | 65% | 0.647 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -14.5 | -179.9 | -37.3 | -68.5 | 0 | 0 | 0 | 111.9 | W26 P54 Q58 | W26-D56 HydrophobicContact CZ2-CB 4.26Å; P54-D56 PolarHBondContact O-N 3.05Å; D56-Q58 PolarHBondContact O-N 3.4Å |
| 57 | W | 95.2 | Very high | 93.1 | Very high | 11 Ų | 11 | 55.8 Ų | 55.8 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | trans | -81.5 | 99.5 | 174.7 | -170.1 | 84.3 | 0 | 0 | 0 | 110.2 | W26 F29 P53 P54 K55 P59 F422 Y438 W443 Y494 F562 | W26-W57 HydrophobicContact CH2-CB 4.1Å; F29-W57 HydrophobicContact CE1-CB 4.34Å; F29-W57 AromaticContact CE1-CD1 3.74Å; F29-W57 AromaticContact CE1-CD2 3.79Å; F29-W57 HydrophobicContact CE1-CD2 3.79Å; F29-W57 AromaticContact CE1-CE2 3.89Å; F29-W57 HydrophobicContact CE1-CE3 4.47Å; F29-W57 AromaticContact CE1-CG 3.71Å; F29-W57 HydrophobicContact CE1-CG 3.71Å; F29-W57 AromaticContact CE1-NE1 3.84Å; F29-W57 AromaticContact CZ-CD2 3.83Å; F29-W57 HydrophobicContact CZ-CD2 3.83Å; F29-W57 HydrophobicContact CZ-CE3 4.05Å; F29-W57 HydrophobicContact CZ-CG 4.18Å; F29-W57 HydrophobicContact CZ-CZ2 4.45Å; F29-W57 HydrophobicContact CZ-CZ3 4.44Å; P53-W57 HydrophobicContact CB-CB 4.21Å; P53-W57 HydrophobicContact CB-CD2 4.21Å; P53-W57 HydrophobicContact CB-CE3 3.58Å; P53-W57 HydrophobicContact CB-CG 4.5Å; P53-W57 HydrophobicContact CB-CZ3 4.33Å; P53-W57 HydrophobicContact CG-CE3 3.65Å; P53-W57 HydrophobicContact CG-CZ3 3.89Å; P54-W57 WeakPolarHBondContact O-CB 3.49Å; P54-W57 PolarHBondContact O-N 2.96Å; K55-W57 VanDerWaalsContact C-N 3.35Å; W57-P59 HydrophobicContact CE3-CG 4.32Å; W57-P59 HydrophobicContact CH2-CG 3.89Å; W57-P59 HydrophobicContact CZ2-CG 4.33Å; W57-P59 HydrophobicContact CZ3-CG 3.88Å; W57-F422 AromaticContact CH2-CE1 3.95Å; W57-F422 HydrophobicContact CH2-CE1 3.95Å; W57-Y438 AromaticContact CD1-CD1 3.95Å; W57-Y438 AromaticContact CD1-CE1 3.49Å; W57-Y438 VanDerWaalsContact CD1-CE1 3.49Å; W57-Y438 HydrophobicContact CD2-CD1 4.43Å; W57-Y438 HydrophobicContact CD2-CE1 4.12Å; W57-Y438 AromaticContact CE2-CD1 3.83Å; W57-Y438 AromaticContact CE2-CE1 3.96Å; W57-Y438 AromaticContact CG-CE1 3.86Å; W57-Y438 HydrophobicContact CG-CE1 3.86Å; W57-Y438 HydrophobicContact CZ2-CD1 4.27Å; W57-Y438 AromaticContact NE1-CD1 3.5Å; W57-Y438 AromaticContact NE1-CE1 3.55Å; W57-W443 HydrophobicContact CH2-CB 3.98Å; W57-W443 HydrophobicContact CZ2-CB 3.77Å; W57-Y494 HydrophobicContact CH2-CE2 4.46Å; W57-Y494 AromaticContact CZ3-CE2 3.79Å; W57-Y494 HydrophobicContact CZ3-CE2 3.79Å; W57-Y494 AromaticContact CZ3-CZ 3.86Å; W57-F562 AromaticContact CH2-CE2 3.86Å; W57-F562 HydrophobicContact CH2-CE2 3.86Å; W57-F562 AromaticContact CH2-CZ 3.71Å; W57-F562 HydrophobicContact CH2-CZ 3.71Å; W57-F562 AromaticContact CZ3-CE2 3.67Å; W57-F562 HydrophobicContact CZ3-CE2 3.67Å; W57-F562 AromaticContact CZ3-CZ 3.96Å; W57-F562 HydrophobicContact CZ3-CZ 3.96Å | ||
| 58 | Q | 93.5 | Very high | 92.7 | Very high | 142 Ų | 142 | 56.5 Ų | 56.5 | 66% | 0.664 | 28% | 0.28 | S | S | * | . | trans | -133.4 | 83 | -175.1 | -63.1 | -175.3 | 23.9 | 0 | 0 | 109.9 | K55 D56 Y438 | K55-Q58 PolarHBondContact O-NE2 3.32Å; D56-Q58 PolarHBondContact O-N 3.4Å; Q58-Y438 PolarHBondContact N-OH 3.18Å; Q58-Y438 PolarHBondContact O-OH 3.37Å | ||
| 59 | P | 94.5 | Very high | 92.2 | Very high | 17 Ų | 17 | 63 Ų | 63 | 11% | 0.11 | 31% | 0.305 | C | S | . | . | trans | -61.9 | 133.6 | -177.3 | 23.9 | -33.9 | 0 | 0 | 0 | 111.8 | W57 F422 Y438 Y494 | W57-P59 HydrophobicContact CE3-CG 4.32Å; W57-P59 HydrophobicContact CH2-CG 3.89Å; W57-P59 HydrophobicContact CZ2-CG 4.33Å; W57-P59 HydrophobicContact CZ3-CG 3.88Å; P59-F422 HydrophobicContact CB-CD1 4.1Å; P59-F422 HydrophobicContact CB-CE1 4.26Å; P59-F422 HydrophobicContact CG-CD1 4.32Å; P59-F422 HydrophobicContact CG-CE1 3.99Å; P59-Y438 HydrophobicContact CB-CD1 3.58Å; P59-Y438 HydrophobicContact CB-CE1 4.14Å; P59-Y438 HydrophobicContact CB-CG 3.88Å; P59-Y438 HydrophobicContact CG-CD1 4.38Å; P59-Y494 HydrophobicContact CG-CE1 4.16Å; P59-Y494 WeakPolarHBondContact CG-OH 3.29Å | ||
| 60 | P | 92.8 | Very high | 91.7 | Very high | 49 Ų | 49 | 63.3 Ų | 63.3 | 32% | 0.318 | 31% | 0.306 | S | S | . | . | trans | -71.7 | 132.2 | 176.9 | 28.4 | -33.1 | 0 | 0 | 0 | 110.9 | A62 P423 E435 | P60-A62 PolarHBondContact O-N 3.49Å; P60-P423 HydrophobicContact CG-CG 3.98Å; P60-E435 HydrophobicContact CG-CG 3.9Å | ||
| 61 | F | 94.1 | Very high | 91.1 | Very high | 54 Ų | 54 | 66.2 Ų | 66.2 | 24% | 0.237 | 33% | 0.325 | C | S | . | . | trans | -68.7 | 115.8 | -179.7 | -170.5 | -112.4 | 0 | 0 | 0 | 111.2 | C63 V65 G421 H496 W497 F580 | F61-C63 HydrophobicContact CD1-CB 4.36Å; F61-C63 VanDerWaalsContact CD1-O 3.31Å; F61-C63 WeakPolarHBondContact CD1-O 3.39Å; F61-C63 HydrophobicContact CE1-CB 3.66Å; F61-C63 VanDerWaalsContact CE1-O 3.26Å; F61-C63 WeakPolarHBondContact CE1-O 3.4Å; F61-C63 HydrophobicContact CZ-CB 3.76Å; F61-V65 HydrophobicContact CD1-CG2 4.37Å; F61-V65 HydrophobicContact CE1-CG2 3.96Å; F61-G421 WeakPolarHBondContact CA-O 3.43Å; F61-H496 HydrophobicContact CD2-CB 3.93Å; F61-H496 AromaticContact CD2-CG 3.9Å; F61-H496 AromaticContact CD2-ND1 3.88Å; F61-H496 HydrophobicContact CE2-CB 4Å; F61-H496 AromaticContact CE2-CG 3.96Å; F61-W497 AromaticContact CD1-NE1 3.56Å; F61-W497 AromaticContact CD2-CD1 3.81Å; F61-W497 AromaticContact CD2-NE1 3.54Å; F61-W497 HydrophobicContact CE1-CZ2 4.3Å; F61-W497 AromaticContact CE1-NE1 3.37Å; F61-W497 AromaticContact CE2-NE1 3.36Å; F61-W497 AromaticContact CG-CD1 3.93Å; F61-W497 AromaticContact CG-NE1 3.63Å; F61-W497 HydrophobicContact CZ-CZ2 4.18Å; F61-W497 AromaticContact CZ-NE1 3.27Å; F61-W497 VanDerWaalsContact CZ-NE1 3.27Å; F61-F580 AromaticContact CE2-CD1 3.57Å; F61-F580 HydrophobicContact CE2-CD1 3.57Å; F61-F580 AromaticContact CE2-CE1 3.46Å; F61-F580 HydrophobicContact CE2-CE1 3.46Å; F61-F580 VanDerWaalsContact CE2-CE1 3.46Å; F61-F580 HydrophobicContact CE2-CG 4.23Å; F61-F580 HydrophobicContact CE2-CZ 4.02Å; F61-F580 AromaticContact CZ-CD1 3.81Å; F61-F580 HydrophobicContact CZ-CD1 3.81Å; F61-F580 HydrophobicContact CZ-CD2 4.18Å; F61-F580 AromaticContact CZ-CE1 3.69Å; F61-F580 HydrophobicContact CZ-CE1 3.69Å; F61-F580 HydrophobicContact CZ-CE2 4.05Å; F61-F580 HydrophobicContact CZ-CG 4.06Å; F61-F580 AromaticContact CZ-CZ 3.78Å; F61-F580 HydrophobicContact CZ-CZ 3.78Å | ||
| 62 | A | 91.2 | Very high | 90.4 | Very high | 24 Ų | 24 | 66.2 Ų | 66.2 | 20% | 0.198 | 33% | 0.325 | C | S | . | . | trans | -79.3 | -27.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | P60 G421 R429 | P60-A62 PolarHBondContact O-N 3.49Å; A62-G421 PolarHBondContact N-O 3.28Å; A62-R429 PolarHBondContact O-NH1 3.42Å | ||
| 63 | C | 87.4 | Confident | 89.8 | Confident | 15 Ų | 15 | 64.6 Ų | 64.6 | 10% | 0.101 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -78.9 | 136.5 | -176 | -81.3 | 0 | 0 | 0 | 0 | 114.3 | F61 V65 F68 S420 | F61-C63 HydrophobicContact CD1-CB 4.36Å; F61-C63 VanDerWaalsContact CD1-O 3.31Å; F61-C63 WeakPolarHBondContact CD1-O 3.39Å; F61-C63 HydrophobicContact CE1-CB 3.66Å; F61-C63 VanDerWaalsContact CE1-O 3.26Å; F61-C63 WeakPolarHBondContact CE1-O 3.4Å; F61-C63 HydrophobicContact CZ-CB 3.76Å; C63-V65 PolarHBondContact O-N 3.48Å; C63-F68 HydrophobicContact CB-CD2 4.21Å; C63-S420 PolarHBondContact SG-O 3.37Å |
| 64 | E | 85.9 | Confident | 89.1 | Confident | 130 Ų | 130 | 64.9 Ų | 64.9 | 61% | 0.607 | 32% | 0.32 | S | S | * | . | trans | -80.5 | 101.8 | 176.4 | -76.6 | -167.5 | 171.9 | 0 | 0 | 112.9 | K66 T67 F68 | E64-K66 PolarHBondContact O-N 3.02Å; E64-T67 WeakPolarHBondContact CB-OG1 3.4Å; E64-T67 PolarHBondContact O-N 3.38Å; E64-T67 PolarHBondContact O-OG1 3.25Å; E64-T67 WeakPolarHBondContact OE2-CG2 3.43Å; E64-T67 PolarHBondContact OE2-OG1 2.95Å; E64-F68 WeakPolarHBondContact O-CB 3.1Å; E64-F68 PolarHBondContact O-N 3.45Å | ||
| 65 | V | 87.9 | Confident | 88.5 | Confident | 42 Ų | 42 | 64.2 Ų | 64.2 | 26% | 0.255 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -22 | -179.7 | 179.4 | 0 | 0 | 0 | 0 | 115.1 | F61 C63 L363 Q364 W497 | F61-V65 HydrophobicContact CD1-CG2 4.37Å; F61-V65 HydrophobicContact CE1-CG2 3.96Å; C63-V65 PolarHBondContact O-N 3.48Å; V65-L363 HydrophobicContact CG1-CB 3.87Å; V65-Q364 HydrophobicContact CG1-CB 4.33Å; V65-Q364 PolarHBondContact O-N 3.47Å; V65-Q364 VanDerWaalsContact O-N 3.1Å; V65-W497 HydrophobicContact CG2-CZ2 4.48Å |
| 66 | K | 84.2 | Confident | 88.1 | Confident | 166 Ų | 166 | 60 Ų | 60 | 72% | 0.722 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -24.4 | -178.5 | -66.4 | 177.7 | -177.5 | 171.2 | 0 | 114.3 | E64 | E64-K66 PolarHBondContact O-N 3.02Š|
| 67 | T | 82.6 | Confident | 87.8 | Confident | 84 Ų | 84 | 54.2 Ų | 54.2 | 52% | 0.515 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -26.2 | -173.3 | 52 | 0 | 0 | 0 | 0 | 111.9 | E64 R69 | E64-T67 WeakPolarHBondContact CB-OG1 3.4Å; E64-T67 PolarHBondContact O-N 3.38Å; E64-T67 PolarHBondContact O-OG1 3.25Å; E64-T67 WeakPolarHBondContact OE2-CG2 3.43Å; E64-T67 PolarHBondContact OE2-OG1 2.95Å; T67-R69 PolarHBondContact O-N 2.87Å |
| 68 | F | 88.4 | Confident | 87 | Confident | 14 Ų | 14 | 53.9 Ų | 53.9 | 6% | 0.061 | 26% | 0.263 | C | S | . | . | trans | -55.6 | 117.8 | 167.5 | -169.3 | -71.1 | 0 | 0 | 0 | 110.3 | C63 E64 F70 T362 L363 I413 F418 L471 F580 | C63-F68 HydrophobicContact CB-CD2 4.21Å; E64-F68 WeakPolarHBondContact O-CB 3.1Å; E64-F68 PolarHBondContact O-N 3.45Å; F68-F70 HydrophobicContact CD1-CD1 4.22Å; F68-F70 HydrophobicContact CE1-CB 4.25Å; F68-F70 HydrophobicContact CE1-CD1 4.08Å; F68-F70 HydrophobicContact CE1-CG 4.44Å; F68-T362 WeakPolarHBondContact O-CA 3.43Å; F68-T362 WeakPolarHBondContact O-CB 3.4Å; F68-L363 HydrophobicContact CB-CD1 3.86Å; F68-L363 HydrophobicContact CB-CG 4.2Å; F68-L363 HydrophobicContact CD1-CD1 3.7Å; F68-L363 HydrophobicContact CD1-CD2 4.18Å; F68-L363 HydrophobicContact CD1-CG 3.58Å; F68-L363 HydrophobicContact CD2-CD1 4.25Å; F68-L363 HydrophobicContact CE1-CD1 4.28Å; F68-L363 HydrophobicContact CE1-CD2 4.29Å; F68-L363 HydrophobicContact CE1-CG 4.17Å; F68-L363 HydrophobicContact CG-CD1 3.68Å; F68-L363 HydrophobicContact CG-CG 4.03Å; F68-L363 PolarHBondContact O-N 3.39Å; F68-I413 HydrophobicContact CZ-CG2 4.14Å; F68-F418 HydrophobicContact CD2-CB 4.38Å; F68-F418 HydrophobicContact CE2-CB 3.64Å; F68-F418 HydrophobicContact CZ-CB 3.91Å; F68-F418 HydrophobicContact CZ-CD1 4.44Å; F68-F418 HydrophobicContact CZ-CG 4.38Å; F68-L471 HydrophobicContact CE2-CD1 3.64Å; F68-L471 HydrophobicContact CZ-CD1 3.65Å; F68-F580 HydrophobicContact CE2-CE2 4.41Å; F68-F580 HydrophobicContact CZ-CE2 4.23Å | ||
| 69 | R | 87.5 | Confident | 86 | Confident | 138 Ų | 138 | 50 Ų | 50 | 52% | 0.521 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 147.2 | 178.5 | -73.5 | 165.6 | 174.6 | -127.4 | -1.7 | 110.1 | T67 E360 Y361 T362 F418 | T67-R69 PolarHBondContact O-N 2.87Å; R69-E360 HydrophobicContact CB-CG 4.09Å; R69-E360 HydrophobicContact CG-CG 4.46Å; R69-E360 IonicContact CZ-OE2 2.58Å; R69-E360 IonicContact NE-OE2 3.02Å; R69-E360 IonicContact NH1-OE1 2.6Å; R69-E360 IonicContact NH1-OE2 3.97Å; R69-E360 PolarHBondContact NH1-OE2 3.12Å; R69-Y361 CarbonylContact C-O 3.51Å; R69-Y361 VanDerWaalsContact CA-O 3.31Å; R69-Y361 WeakPolarHBondContact CA-O 3.38Å; R69-T362 HydrophobicContact CG-CG2 3.9Å; R69-F418 WeakPolarHBondContact O-CD1 3.49Å; R69-F418 WeakPolarHBondContact O-CE1 3.29Å |
| 70 | F | 88.6 | Confident | 85.1 | Confident | 6 Ų | 6 | 49.5 Ų | 49.5 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 161.3 | 172.8 | 69 | -73.8 | 0 | 0 | 0 | 111.4 | F68 P72 Y361 L363 F366 I413 V473 | F68-F70 HydrophobicContact CD1-CD1 4.22Å; F68-F70 HydrophobicContact CE1-CB 4.25Å; F68-F70 HydrophobicContact CE1-CD1 4.08Å; F68-F70 HydrophobicContact CE1-CG 4.44Å; F70-P72 HydrophobicContact CD2-CB 4.45Å; F70-P72 HydrophobicContact CE2-CB 3.99Å; F70-Y361 PolarHBondContact N-O 3.39Å; F70-Y361 PolarHBondContact O-N 3.03Å; F70-L363 HydrophobicContact CD1-CD2 4.42Å; F70-L363 HydrophobicContact CE1-CD2 3.91Å; F70-L363 HydrophobicContact CE1-CG 4.48Å; F70-F366 HydrophobicContact CE1-CB 4.14Å; F70-F366 HydrophobicContact CE1-CG 4.35Å; F70-F366 HydrophobicContact CE2-CD2 4.3Å; F70-F366 HydrophobicContact CE2-CE2 4.48Å; F70-F366 HydrophobicContact CZ-CB 3.94Å; F70-F366 HydrophobicContact CZ-CD1 4.19Å; F70-F366 AromaticContact CZ-CD2 3.68Å; F70-F366 HydrophobicContact CZ-CD2 3.68Å; F70-F366 HydrophobicContact CZ-CE2 4.2Å; F70-F366 AromaticContact CZ-CG 3.67Å; F70-F366 HydrophobicContact CZ-CG 3.67Å; F70-I413 HydrophobicContact CB-CD1 3.88Å; F70-I413 HydrophobicContact CD2-CD1 3.97Å; F70-I413 HydrophobicContact CG-CD1 4.09Å; F70-V473 HydrophobicContact CE1-CG1 4.31Å; F70-V473 HydrophobicContact CE1-CG2 4.3Å; F70-V473 HydrophobicContact CE2-CB 4.13Å; F70-V473 HydrophobicContact CE2-CG1 4.48Å; F70-V473 HydrophobicContact CE2-CG2 4.25Å; F70-V473 HydrophobicContact CZ-CB 3.93Å; F70-V473 HydrophobicContact CZ-CG1 3.8Å; F70-V473 HydrophobicContact CZ-CG2 4.07Å |
| 71 | T | 85.1 | Confident | 84.3 | Confident | 71 Ų | 71 | 47.6 Ų | 47.6 | 44% | 0.436 | 23% | 0.227 | S | C | . | . | trans | -102.2 | 112 | 171.4 | -55.7 | 0 | 0 | 0 | 0 | 108.4 | A357 | T71-A357 VanDerWaalsContact CG2-O 3.24Å; T71-A357 WeakPolarHBondContact CG2-O 3.27Å | ||
| 72 | P | 84.6 | Confident | 83.1 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -71.6 | 160.5 | 177.3 | 27.9 | -31 | 0 | 0 | 0 | 112 | F70 A357 R359 Y361 F366 E408 Y409 | F70-P72 HydrophobicContact CD2-CB 4.45Å; F70-P72 HydrophobicContact CE2-CB 3.99Å; P72-A357 HydrophobicContact CG-CB 3.88Å; P72-A357 VanDerWaalsContact O-CB 3.31Å; P72-A357 WeakPolarHBondContact O-CB 3.45Å; P72-A357 PolarHBondContact O-N 3.06Å; P72-R359 WeakPolarHBondContact CD-O 3.4Å; P72-Y361 HydrophobicContact CG-CD2 3.65Å; P72-Y361 HydrophobicContact CG-CE2 3.89Å; P72-F366 HydrophobicContact CB-CE2 4.38Å; P72-E408 HydrophobicContact CB-CB 4.12Å; P72-E408 HydrophobicContact CG-CB 4.35Å; P72-Y409 CarbonylContact C-O 3.56Å; P72-Y409 WeakPolarHBondContact CA-O 3.33Å; P72-Y409 WeakPolarHBondContact CB-O 3.37Å | ||
| 73 | R | 83.8 | Confident | 82.1 | Confident | 57 Ų | 57 | 47.8 Ų | 47.8 | 22% | 0.215 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 158.9 | 165.2 | -64 | 175.1 | -164.8 | 176.9 | 3.8 | 109.6 | F354 E355 Q356 E408 Y409 D412 | R73-F354 HydrophobicContact CB-CB 4.1Å; R73-E355 CarbonylContact C-O 3.31Å; R73-E355 WeakPolarHBondContact CA-O 3.34Å; R73-Q356 HydrophobicContact CG-CG 4.43Å; R73-E408 CarbonylContact O-C 3.5Å; R73-E408 VanDerWaalsContact O-CA 3.32Å; R73-E408 WeakPolarHBondContact O-CA 3.3Å; R73-Y409 HydrophobicContact CB-CD1 3.89Å; R73-Y409 HydrophobicContact CB-CE1 3.4Å; R73-Y409 VanDerWaalsContact CB-CE1 3.4Å; R73-Y409 HydrophobicContact CG-CE1 4.47Å; R73-Y409 PolarHBondContact N-O 3.47Å; R73-Y409 WeakPolarHBondContact O-CD1 3.44Å; R73-Y409 PolarHBondContact O-N 3.01Å; R73-D412 IonicContact CZ-OD2 2.79Å; R73-D412 IonicContact NH1-OD2 3.6Å; R73-D412 PolarHBondContact NH1-OD2 3.29Å; R73-D412 VanDerWaalsContact NH2-CG 3.29Å; R73-D412 IonicContact NH2-OD2 2.63Å; R73-D412 PolarHBondContact NH2-OD2 3.4Å |
| 74 | V | 82.7 | Confident | 81.2 | Confident | 25 Ų | 25 | 47.4 Ų | 47.4 | 15% | 0.152 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 133.9 | -177.9 | -174.8 | 0 | 0 | 0 | 0 | 110 | E355 A357 I406 | V74-E355 PolarHBondContact N-O 3.31Å; V74-A357 HydrophobicContact CG2-CB 4.06Å; V74-I406 HydrophobicContact CG1-CG2 3.4Å |
| 75 | Q | 84.5 | Confident | 80.6 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 142.1 | 171.8 | -57.1 | -173.7 | -34.8 | 0 | 0 | 110.1 | F354 I406 V407 Y409 S479 | Q75-F354 HydrophobicContact CB-CD1 4.49Å; Q75-F354 HydrophobicContact CB-CE1 4.48Å; Q75-F354 HydrophobicContact CG-CD1 3.8Å; Q75-F354 HydrophobicContact CG-CE1 3.87Å; Q75-F354 HydrophobicContact CG-CG 4.44Å; Q75-I406 CarbonylContact O-C 2.88Å; Q75-I406 WeakPolarHBondContact O-CA 3.43Å; Q75-I406 WeakPolarHBondContact O-CG2 3.39Å; Q75-V407 HydrophobicContact CB-CG2 3.94Å; Q75-V407 PolarHBondContact N-O 3.16Å; Q75-V407 PolarHBondContact O-N 3.14Å; Q75-Y409 HydrophobicContact CG-CD1 3.7Å; Q75-Y409 HydrophobicContact CG-CE1 3.42Å; Q75-Y409 VanDerWaalsContact CG-CE1 3.42Å; Q75-S479 PolarHBondContact NE2-O 3.07Å; Q75-S479 PolarHBondContact OE1-O 2.98Å; Q75-S479 PolarHBondContact OE1-OG 3.16Å |
| 76 | R | 84.5 | Confident | 79.7 | Confident | 93 Ų | 93 | 42.2 Ų | 42.2 | 35% | 0.351 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 111.3 | 173.2 | -56.5 | 172.3 | -170.9 | 170.4 | 9.4 | 106.8 | N78 E79 E355 V405 I406 | R76-N78 VanDerWaalsContact C-N 3.3Å; R76-N78 PolarHBondContact O-N 2.92Å; R76-E79 HydrophobicContact CB-CB 4.21Å; R76-E79 HydrophobicContact CB-CG 4.43Å; R76-E79 WeakPolarHBondContact CD-OE1 3.36Å; R76-E79 IonicContact CZ-OE1 4Å; R76-E79 IonicContact NE-OE1 2.83Å; R76-E79 IonicContact NH1-OE1 2.69Å; R76-E79 PolarHBondContact NH1-OE1 3.23Å; R76-E79 WeakPolarHBondContact O-CB 3.44Å; R76-E79 PolarHBondContact O-N 2.84Å; R76-E355 IonicContact CZ-OE2 3.83Å; R76-E355 IonicContact NE-OE2 3.25Å; R76-E355 VanDerWaalsContact NH2-CD 3.3Å; R76-E355 IonicContact NH2-OE1 3.21Å; R76-E355 PolarHBondContact NH2-OE1 2.91Å; R76-E355 VanDerWaalsContact NH2-OE1 3.1Å; R76-E355 IonicContact NH2-OE2 2.8Å; R76-E355 PolarHBondContact NH2-OE2 3.12Å; R76-V405 WeakPolarHBondContact CA-O 3.39Å; R76-I406 HydrophobicContact CG-CD1 4.43Å; R76-I406 HydrophobicContact CG-CG1 4.18Å; R76-I406 HydrophobicContact CG-CG2 4.4Å |
| 77 | L | 85.4 | Confident | 79.1 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -61.9 | -38.6 | -162.6 | -58.8 | -177.1 | 0 | 0 | 0 | 112.9 | E79 L80 F394 L397 V398 V405 V407 F477 | L77-E79 PolarHBondContact O-N 3.37Å; L77-L80 HydrophobicContact CD2-CD1 3.88Å; L77-L80 WeakPolarHBondContact O-CB 3.4Å; L77-L80 PolarHBondContact O-N 2.95Å; L77-F394 HydrophobicContact CD2-CE2 4.22Å; L77-L397 HydrophobicContact CD1-CB 4.07Å; L77-L397 HydrophobicContact CD1-CD1 3.91Å; L77-V398 HydrophobicContact CB-CG2 4.14Å; L77-V405 HydrophobicContact CD1-CB 4.06Å; L77-V405 HydrophobicContact CD1-CG1 3.75Å; L77-V405 HydrophobicContact CG-CB 4.42Å; L77-V405 HydrophobicContact CG-CG1 4.31Å; L77-V405 PolarHBondContact N-O 3.37Å; L77-V407 HydrophobicContact CD2-CG2 4.11Å; L77-F477 HydrophobicContact CD1-CB 3.84Å; L77-F477 HydrophobicContact CD1-CD2 4.46Å; L77-F477 HydrophobicContact CD1-CG 4.26Å |
| 78 | N | 77 | Confident | 78.3 | Confident | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -60.5 | -26.2 | 178.3 | -51.9 | 27.7 | 0 | 0 | 0 | 112.7 | R76 T84 L88 E403 D404 | R76-N78 VanDerWaalsContact C-N 3.3Å; R76-N78 PolarHBondContact O-N 2.92Å; N78-T84 VanDerWaalsContact O-CB 3.3Å; N78-T84 WeakPolarHBondContact O-CB 3.44Å; N78-T84 PolarHBondContact O-OG1 3.4Å; N78-L88 WeakPolarHBondContact O-CD1 3.43Å; N78-E403 PolarHBondContact ND2-O 3.49Å; N78-E403 PolarHBondContact OD1-O 3.13Å; N78-D404 WeakPolarHBondContact ND2-CA 3.48Å; N78-D404 PolarHBondContact ND2-OD1 3.42Å |
| 79 | E | 74.4 | Confident | 77.5 | Confident | 61 Ų | 61 | 35.4 Ų | 35.4 | 29% | 0.285 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -90.7 | -2.7 | -177.3 | -82.6 | -166.5 | -123.3 | 0 | 0 | 113.7 | R76 L77 R85 L88 | R76-E79 HydrophobicContact CB-CB 4.21Å; R76-E79 HydrophobicContact CB-CG 4.43Å; R76-E79 WeakPolarHBondContact CD-OE1 3.36Å; R76-E79 IonicContact CZ-OE1 4Å; R76-E79 IonicContact NE-OE1 2.83Å; R76-E79 IonicContact NH1-OE1 2.69Å; R76-E79 PolarHBondContact NH1-OE1 3.23Å; R76-E79 WeakPolarHBondContact O-CB 3.44Å; R76-E79 PolarHBondContact O-N 2.84Å; L77-E79 PolarHBondContact O-N 3.37Å; E79-R85 VanDerWaalsContact O-CD 3.22Å; E79-R85 WeakPolarHBondContact O-CD 3.39Å; E79-R85 PolarHBondContact O-NH1 3.02Å; E79-R85 IonicContact OE2-CZ 2.72Å; E79-R85 IonicContact OE2-NH1 3.26Å; E79-R85 PolarHBondContact OE2-NH1 3.21Å; E79-R85 IonicContact OE2-NH2 3.95Å; E79-R85 PolarHBondContact OE2-NH2 3.24Å; E79-L88 HydrophobicContact CG-CD1 4.07Å |
| 80 | L | 74.6 | Confident | 77 | Confident | 5 Ų | 5 | 29.5 Ų | 29.5 | 3% | 0.026 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -34.5 | -175.7 | -60.4 | 176.5 | 0 | 0 | 0 | 114.9 | L77 F354 S479 T538 I539 | L77-L80 HydrophobicContact CD2-CD1 3.88Å; L77-L80 WeakPolarHBondContact O-CB 3.4Å; L77-L80 PolarHBondContact O-N 2.95Å; L80-F354 HydrophobicContact CD2-CE1 3.59Å; L80-F354 HydrophobicContact CD2-CZ 3.98Å; L80-S479 WeakPolarHBondContact CD1-OG 3.46Å; L80-T538 CarbonylContact O-C 3.57Å; L80-T538 WeakPolarHBondContact O-CA 3.39Å; L80-I539 HydrophobicContact CB-CB 4.44Å; L80-I539 HydrophobicContact CB-CG2 3.78Å; L80-I539 PolarHBondContact O-N 3.02Å |
| 81 | E | 76.7 | Confident | 76.2 | Confident | 9 Ų | 9 | 30.6 Ų | 30.6 | 4% | 0.042 | 14% | 0.143 | C | C | . | . | B | Isolated β-bridge | trans | -84.2 | 134.2 | -170.2 | 163.6 | 67.1 | -113.2 | 0 | 0 | 111.1 | M83 T84 R85 V398 I539 M540 N541 | E81-M83 HydrophobicContact CG-CB 4.38Å; E81-M83 PolarHBondContact O-N 2.9Å; E81-M83 VanDerWaalsContact O-N 3.14Å; E81-M83 PolarHBondContact OE1-N 3.07Å; E81-T84 HydrophobicContact CB-CG2 4.44Å; E81-T84 WeakPolarHBondContact CB-OG1 3.43Å; E81-T84 HydrophobicContact CG-CG2 4.31Å; E81-T84 PolarHBondContact O-N 3.49Å; E81-T84 VanDerWaalsContact O-N 3.1Å; E81-T84 PolarHBondContact O-OG1 3.14Å; E81-R85 VanDerWaalsContact O-CB 3.31Å; E81-R85 WeakPolarHBondContact O-CB 3.45Å; E81-R85 PolarHBondContact O-N 3.48Å; E81-V398 HydrophobicContact CB-CG1 3.55Å; E81-V398 HydrophobicContact CG-CG1 4.32Å; E81-I539 HydrophobicContact CB-CG2 3.98Å; E81-M540 VanDerWaalsContact OE2-CA 3.25Å; E81-M540 WeakPolarHBondContact OE2-CA 3.47Å; E81-N541 PolarHBondContact OE2-N 3.36Å |
| 82 | A | 69 | Low | 75.4 | Confident | 4 Ų | 4 | 29.6 Ų | 29.6 | 3% | 0.033 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -54.4 | -40.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V86 A522 T538 I539 M540 | A82-V86 WeakPolarHBondContact O-CG2 3.46Å; A82-V86 PolarHBondContact O-N 2.92Å; A82-V86 VanDerWaalsContact O-N 3.16Å; A82-A522 HydrophobicContact CB-CB 3.97Å; A82-T538 WeakPolarHBondContact CB-OG1 3.43Å; A82-I539 PolarHBondContact N-O 3.13Å; A82-M540 HydrophobicContact CB-CE 4.08Å |
| 83 | M | 69.7 | Low | 75 | Confident | 79 Ų | 79 | 32.4 Ų | 32.4 | 39% | 0.389 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -73.4 | -34 | -179.7 | -64.6 | -160.3 | -176.1 | 0 | 0 | 114.3 | E81 R87 L521 V544 | E81-M83 HydrophobicContact CG-CB 4.38Å; E81-M83 PolarHBondContact O-N 2.9Å; E81-M83 VanDerWaalsContact O-N 3.14Å; E81-M83 PolarHBondContact OE1-N 3.07Å; M83-R87 WeakPolarHBondContact O-CB 3.35Å; M83-L521 HydrophobicContact CE-CB 4.1Å; M83-L521 HydrophobicContact CE-CD1 3.99Å; M83-L521 HydrophobicContact CE-CD2 3.75Å; M83-L521 HydrophobicContact CE-CG 4.16Å; M83-V544 HydrophobicContact CE-CG1 4.16Å |
| 84 | T | 68.3 | Low | 74.7 | Confident | 6 Ų | 6 | 29.7 Ų | 29.7 | 4% | 0.037 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -77.5 | -36.1 | 174.6 | 58.3 | 0 | 0 | 0 | 0 | 110.3 | N78 E81 R87 L88 V398 I401 | N78-T84 VanDerWaalsContact O-CB 3.3Å; N78-T84 WeakPolarHBondContact O-CB 3.44Å; N78-T84 PolarHBondContact O-OG1 3.4Å; E81-T84 HydrophobicContact CB-CG2 4.44Å; E81-T84 WeakPolarHBondContact CB-OG1 3.43Å; E81-T84 HydrophobicContact CG-CG2 4.31Å; E81-T84 PolarHBondContact O-N 3.49Å; E81-T84 VanDerWaalsContact O-N 3.1Å; E81-T84 PolarHBondContact O-OG1 3.14Å; T84-R87 CarbonylContact O-C 3.55Å; T84-R87 WeakPolarHBondContact O-CB 3.28Å; T84-R87 PolarHBondContact O-N 3.33Å; T84-L88 WeakPolarHBondContact O-CB 3.49Å; T84-L88 VanDerWaalsContact O-CG 3.25Å; T84-L88 WeakPolarHBondContact O-CG 3.46Å; T84-L88 PolarHBondContact O-N 2.99Å; T84-V398 WeakPolarHBondContact CG2-O 3.4Å; T84-I401 HydrophobicContact CG2-CG2 4.45Å |
| 85 | R | 72.6 | Confident | 74.1 | Confident | 58 Ų | 58 | 30 Ų | 30 | 22% | 0.219 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.1 | -56.2 | 175.4 | -166.6 | 78.6 | -154.1 | -176.8 | 8.8 | 112.2 | E79 E81 R87 L88 D89 L525 | E79-R85 VanDerWaalsContact O-CD 3.22Å; E79-R85 WeakPolarHBondContact O-CD 3.39Å; E79-R85 PolarHBondContact O-NH1 3.02Å; E79-R85 IonicContact OE2-CZ 2.72Å; E79-R85 IonicContact OE2-NH1 3.26Å; E79-R85 PolarHBondContact OE2-NH1 3.21Å; E79-R85 IonicContact OE2-NH2 3.95Å; E79-R85 PolarHBondContact OE2-NH2 3.24Å; E81-R85 VanDerWaalsContact O-CB 3.31Å; E81-R85 WeakPolarHBondContact O-CB 3.45Å; E81-R85 PolarHBondContact O-N 3.48Å; R85-R87 PolarHBondContact O-N 3.04Å; R85-L88 PolarHBondContact O-N 3.37Å; R85-L88 VanDerWaalsContact O-N 3.08Å; R85-D89 IonicContact NE-OD2 2.62Å; R85-D89 PolarHBondContact NE-OD2 3.18Å; R85-D89 WeakPolarHBondContact O-CB 3.37Å; R85-D89 PolarHBondContact O-N 3.29Å; R85-L525 HydrophobicContact CB-CD1 4.45Å; R85-L525 HydrophobicContact CG-CD1 4.45Å; R85-L525 HydrophobicContact CG-CD2 4.45Å |
| 86 | V | 70.1 | Confident | 73.5 | Confident | 6 Ų | 6 | 34.1 Ų | 34.1 | 4% | 0.036 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.8 | -38.9 | 177.4 | 175.1 | 0 | 0 | 0 | 0 | 111.7 | A82 F90 Y118 A522 E524 L525 | A82-V86 WeakPolarHBondContact O-CG2 3.46Å; A82-V86 PolarHBondContact O-N 2.92Å; A82-V86 VanDerWaalsContact O-N 3.16Å; V86-F90 VanDerWaalsContact O-CB 3.29Å; V86-F90 WeakPolarHBondContact O-CB 3.3Å; V86-F90 PolarHBondContact O-N 3.36Å; V86-Y118 HydrophobicContact CG1-CE2 3.76Å; V86-Y118 WeakPolarHBondContact CG1-OH 3.35Å; V86-A522 HydrophobicContact CG2-CB 4.12Å; V86-E524 WeakPolarHBondContact CG1-OE2 3.23Å; V86-L525 HydrophobicContact CG2-CD1 3.86Å; V86-L525 HydrophobicContact CG2-CD2 4.13Å; V86-L525 HydrophobicContact CG2-CG 3.63Å |
| 87 | R | 70.3 | Confident | 73.2 | Confident | 56 Ų | 56 | 30 Ų | 30 | 21% | 0.211 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.5 | -40.7 | 177.3 | 169.3 | -169.1 | -64.8 | -104.4 | -17.3 | 112.4 | M83 T84 R85 L91 D116 Y118 | M83-R87 WeakPolarHBondContact O-CB 3.35Å; T84-R87 CarbonylContact O-C 3.55Å; T84-R87 WeakPolarHBondContact O-CB 3.28Å; T84-R87 PolarHBondContact O-N 3.33Å; R85-R87 PolarHBondContact O-N 3.04Å; R87-L91 HydrophobicContact CG-CD1 4.31Å; R87-L91 WeakPolarHBondContact O-CB 3.27Å; R87-L91 VanDerWaalsContact O-CG 3.25Å; R87-L91 WeakPolarHBondContact O-CG 3.47Å; R87-L91 PolarHBondContact O-N 3.29Å; R87-D116 IonicContact CZ-OD1 2.63Å; R87-D116 IonicContact CZ-OD2 2.87Å; R87-D116 IonicContact NH1-OD1 3.11Å; R87-D116 PolarHBondContact NH1-OD1 3.03Å; R87-D116 IonicContact NH1-OD2 2.82Å; R87-D116 PolarHBondContact NH1-OD2 2.73Å; R87-D116 IonicContact NH2-OD1 2.75Å; R87-D116 IonicContact NH2-OD2 2.68Å; R87-D116 PolarHBondContact NH2-OD2 2.81Å; R87-Y118 HydrophobicContact CB-CD1 3.98Å; R87-Y118 HydrophobicContact CB-CE1 4.48Å; R87-Y118 HydrophobicContact CB-CG 4.31Å; R87-Y118 HydrophobicContact CG-CD1 4.38Å |
| 88 | L | 67.5 | Low | 72.6 | Confident | 51 Ų | 51 | 31.9 Ų | 31.9 | 27% | 0.267 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -70 | -44.4 | 176.1 | -73.1 | 168.3 | 0 | 0 | 0 | 111 | N78 E79 T84 R85 F90 L91 D92 | N78-L88 WeakPolarHBondContact O-CD1 3.43Å; E79-L88 HydrophobicContact CG-CD1 4.07Å; T84-L88 WeakPolarHBondContact O-CB 3.49Å; T84-L88 VanDerWaalsContact O-CG 3.25Å; T84-L88 WeakPolarHBondContact O-CG 3.46Å; T84-L88 PolarHBondContact O-N 2.99Å; R85-L88 PolarHBondContact O-N 3.37Å; R85-L88 VanDerWaalsContact O-N 3.08Å; L88-F90 VanDerWaalsContact C-N 3.32Å; L88-F90 PolarHBondContact O-N 2.7Å; L88-L91 PolarHBondContact O-N 2.72Å; L88-L91 VanDerWaalsContact O-N 3.17Å; L88-D92 WeakPolarHBondContact O-CB 3.35Å; L88-D92 PolarHBondContact O-N 3.43Å |
| 89 | D | 70.5 | Confident | 72.2 | Confident | 14 Ų | 14 | 37.2 Ų | 37.2 | 8% | 0.075 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.4 | -36.1 | 175 | -76 | -50.1 | 0 | 0 | 0 | 111.6 | R85 Q93 R349 | R85-D89 IonicContact NE-OD2 2.62Å; R85-D89 PolarHBondContact NE-OD2 3.18Å; R85-D89 WeakPolarHBondContact O-CB 3.37Å; R85-D89 PolarHBondContact O-N 3.29Å; D89-Q93 WeakPolarHBondContact O-CB 3.44Å; D89-Q93 VanDerWaalsContact O-CG 3.24Å; D89-Q93 WeakPolarHBondContact O-CG 3.47Å; D89-Q93 PolarHBondContact O-N 3.48Å; D89-Q93 PolarHBondContact O-NE2 3.37Å; D89-R349 IonicContact OD1-CZ 3.2Å; D89-R349 IonicContact OD1-NE 2.81Å; D89-R349 IonicContact OD1-NH1 2.72Å; D89-R349 PolarHBondContact OD1-NH1 2.78Å |
| 90 | F | 76.5 | Confident | 71.9 | Confident | 14 Ų | 14 | 35.9 Ų | 35.9 | 6% | 0.061 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.9 | -45.1 | 170.1 | 175.9 | -89.3 | 0 | 0 | 0 | 112.4 | V86 L88 Q93 L94 L117 Y118 S121 L166 Y169 | V86-F90 VanDerWaalsContact O-CB 3.29Å; V86-F90 WeakPolarHBondContact O-CB 3.3Å; V86-F90 PolarHBondContact O-N 3.36Å; L88-F90 VanDerWaalsContact C-N 3.32Å; L88-F90 PolarHBondContact O-N 2.7Å; F90-Q93 PolarHBondContact O-N 2.97Å; F90-L94 HydrophobicContact CE1-CD2 4.1Å; F90-L94 VanDerWaalsContact O-CB 3.26Å; F90-L94 WeakPolarHBondContact O-CB 3.33Å; F90-L94 PolarHBondContact O-N 2.88Å; F90-L117 HydrophobicContact CE1-CB 4.31Å; F90-Y118 HydrophobicContact CB-CD2 3.89Å; F90-Y118 HydrophobicContact CD1-CD2 4.14Å; F90-Y118 HydrophobicContact CD1-CG 4.42Å; F90-Y118 HydrophobicContact CD2-CD2 4.06Å; F90-Y118 AromaticContact CG-CD2 3.76Å; F90-Y118 HydrophobicContact CG-CD2 3.76Å; F90-Y118 HydrophobicContact CG-CG 4.44Å; F90-S121 VanDerWaalsContact CZ-OG 3.27Å; F90-S121 WeakPolarHBondContact CZ-OG 3.49Å; F90-L166 HydrophobicContact CE1-CD2 4.18Å; F90-L166 HydrophobicContact CZ-CD2 3.84Å; F90-Y169 HydrophobicContact CD2-CE1 4.42Å; F90-Y169 HydrophobicContact CE2-CD1 4.35Å; F90-Y169 AromaticContact CE2-CE1 3.83Å; F90-Y169 HydrophobicContact CE2-CE1 3.83Å; F90-Y169 HydrophobicContact CZ-CD1 4.48Å; F90-Y169 HydrophobicContact CZ-CE1 4.31Å |
| 91 | L | 71.8 | Confident | 71.5 | Confident | 28 Ų | 28 | 36.9 Ų | 36.9 | 15% | 0.147 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.4 | -36.6 | 178.9 | -75.4 | 169.6 | 0 | 0 | 0 | 112.1 | R87 L88 L94 A95 I107 L117 | R87-L91 HydrophobicContact CG-CD1 4.31Å; R87-L91 WeakPolarHBondContact O-CB 3.27Å; R87-L91 VanDerWaalsContact O-CG 3.25Å; R87-L91 WeakPolarHBondContact O-CG 3.47Å; R87-L91 PolarHBondContact O-N 3.29Å; L88-L91 PolarHBondContact O-N 2.72Å; L88-L91 VanDerWaalsContact O-N 3.17Å; L91-L94 PolarHBondContact O-N 3.28Å; L91-A95 VanDerWaalsContact O-CB 3.28Å; L91-A95 WeakPolarHBondContact O-CB 3.39Å; L91-A95 PolarHBondContact O-N 3.46Å; L91-I107 HydrophobicContact CD2-CD1 4.11Å; L91-L117 HydrophobicContact CD2-CB 4.18Å; L91-L117 HydrophobicContact CD2-CD1 4.13Å |
| 92 | D | 69.6 | Low | 70.8 | Confident | 50 Ų | 50 | 39.1 Ų | 39.1 | 27% | 0.267 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -71.9 | -40.9 | 175 | 165.3 | 81.2 | 0 | 0 | 0 | 112.3 | L88 L94 A95 K96 R349 | L88-D92 WeakPolarHBondContact O-CB 3.35Å; L88-D92 PolarHBondContact O-N 3.43Å; D92-L94 VanDerWaalsContact C-N 3.32Å; D92-L94 PolarHBondContact O-N 3.43Å; D92-A95 PolarHBondContact O-N 2.71Å; D92-K96 WeakPolarHBondContact O-CB 3.32Å; D92-K96 WeakPolarHBondContact O-CG 3.43Å; D92-K96 PolarHBondContact O-N 3.17Å; D92-K96 WeakPolarHBondContact OD1-CE 3.4Å; D92-K96 IonicContact OD1-NZ 3.03Å; D92-K96 PolarHBondContact OD1-NZ 3.33Å; D92-K96 IonicContact OD2-NZ 3.24Å; D92-K96 PolarHBondContact OD2-NZ 3.43Å; D92-R349 IonicContact OD2-CZ 3.05Å; D92-R349 IonicContact OD2-NH1 2.74Å; D92-R349 PolarHBondContact OD2-NH1 2.67Å; D92-R349 IonicContact OD2-NH2 3.66Å; D92-R349 PolarHBondContact OD2-NH2 3.13Å |
| 93 | Q | 76.6 | Confident | 70.7 | Confident | 60 Ų | 60 | 41.6 Ų | 41.6 | 28% | 0.28 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.6 | -42.8 | 170.1 | -75 | 172.7 | 57.7 | 0 | 0 | 111.5 | D89 F90 K96 F97 Y169 | D89-Q93 WeakPolarHBondContact O-CB 3.44Å; D89-Q93 VanDerWaalsContact O-CG 3.24Å; D89-Q93 WeakPolarHBondContact O-CG 3.47Å; D89-Q93 PolarHBondContact O-N 3.48Å; D89-Q93 PolarHBondContact O-NE2 3.37Å; F90-Q93 PolarHBondContact O-N 2.97Å; Q93-K96 PolarHBondContact O-N 3.03Å; Q93-F97 VanDerWaalsContact O-CB 3.3Å; Q93-F97 WeakPolarHBondContact O-CB 3.48Å; Q93-F97 PolarHBondContact O-N 3.08Å; Q93-Y169 VanDerWaalsContact CB-OH 3.32Å; Q93-Y169 WeakPolarHBondContact CB-OH 3.34Å; Q93-Y169 PolarHBondContact OE1-OH 3.39Å |
| 94 | L | 77.5 | Confident | 70.5 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.3 | -38 | 176.7 | -176 | 63.1 | 0 | 0 | 0 | 111.6 | F90 L91 D92 W98 L105 L117 I165 L166 Y169 | F90-L94 HydrophobicContact CE1-CD2 4.1Å; F90-L94 VanDerWaalsContact O-CB 3.26Å; F90-L94 WeakPolarHBondContact O-CB 3.33Å; F90-L94 PolarHBondContact O-N 2.88Å; L91-L94 PolarHBondContact O-N 3.28Å; D92-L94 VanDerWaalsContact C-N 3.32Å; D92-L94 PolarHBondContact O-N 3.43Å; L94-W98 PolarHBondContact O-N 3.07Å; L94-W98 VanDerWaalsContact O-N 3.1Å; L94-L105 HydrophobicContact CB-CD2 4.26Å; L94-L105 HydrophobicContact CD2-CD1 4.17Å; L94-L105 HydrophobicContact CD2-CD2 4.09Å; L94-L105 HydrophobicContact CG-CD1 4.21Å; L94-L105 HydrophobicContact CG-CD2 3.94Å; L94-L117 HydrophobicContact CD2-CB 4.45Å; L94-L117 HydrophobicContact CD2-CD1 3.87Å; L94-I165 HydrophobicContact CD2-CG2 4.13Å; L94-L166 HydrophobicContact CD1-CD2 4.43Å; L94-L166 HydrophobicContact CD2-CD2 3.85Å; L94-Y169 HydrophobicContact CD1-CD1 3.94Å; L94-Y169 HydrophobicContact CD1-CD2 3.92Å; L94-Y169 HydrophobicContact CD1-CG 3.57Å |
| 95 | A | 69.6 | Low | 70.6 | Confident | 30 Ų | 30 | 43.6 Ų | 43.6 | 25% | 0.248 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.3 | -50.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L91 D92 F97 W98 E99 L105 | L91-A95 VanDerWaalsContact O-CB 3.28Å; L91-A95 WeakPolarHBondContact O-CB 3.39Å; L91-A95 PolarHBondContact O-N 3.46Å; D92-A95 PolarHBondContact O-N 2.71Å; A95-F97 VanDerWaalsContact C-N 3.33Å; A95-F97 PolarHBondContact O-N 3.15Å; A95-W98 PolarHBondContact O-N 3.33Å; A95-W98 VanDerWaalsContact O-N 3.12Å; A95-E99 WeakPolarHBondContact O-CB 3.41Å; A95-E99 WeakPolarHBondContact O-CG 3.18Å; A95-E99 PolarHBondContact O-N 3.16Å; A95-L105 HydrophobicContact CB-CB 4.42Å; A95-L105 HydrophobicContact CB-CD2 4.03Å |
| 96 | K | 71.3 | Confident | 70.5 | Confident | 89 Ų | 89 | 46.2 Ų | 46.2 | 39% | 0.387 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.4 | -42.2 | 175.9 | -76.4 | 166.7 | 176.3 | 155.8 | 0 | 112.2 | D92 Q93 L100 | D92-K96 WeakPolarHBondContact O-CB 3.32Å; D92-K96 WeakPolarHBondContact O-CG 3.43Å; D92-K96 PolarHBondContact O-N 3.17Å; D92-K96 WeakPolarHBondContact OD1-CE 3.4Å; D92-K96 IonicContact OD1-NZ 3.03Å; D92-K96 PolarHBondContact OD1-NZ 3.33Å; D92-K96 IonicContact OD2-NZ 3.24Å; D92-K96 PolarHBondContact OD2-NZ 3.43Å; Q93-K96 PolarHBondContact O-N 3.03Å; K96-L100 VanDerWaalsContact O-CB 3.24Å; K96-L100 WeakPolarHBondContact O-CB 2.97Å; K96-L100 WeakPolarHBondContact O-CD1 3.33Å; K96-L100 WeakPolarHBondContact O-CG 3.36Å; K96-L100 PolarHBondContact O-N 3.28Å |
| 97 | F | 77.8 | Confident | 70.8 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 2% | 0.022 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -55.4 | -52.2 | 172.2 | 167.1 | -97.1 | 0 | 0 | 0 | 111.4 | Q93 A95 L100 Q101 P168 Y169 F172 | Q93-F97 VanDerWaalsContact O-CB 3.3Å; Q93-F97 WeakPolarHBondContact O-CB 3.48Å; Q93-F97 PolarHBondContact O-N 3.08Å; A95-F97 VanDerWaalsContact C-N 3.33Å; A95-F97 PolarHBondContact O-N 3.15Å; F97-L100 PolarHBondContact O-N 3.27Å; F97-Q101 HydrophobicContact CE1-CG 4.34Å; F97-Q101 HydrophobicContact CE2-CG 4.19Å; F97-Q101 HydrophobicContact CZ-CG 4.07Å; F97-Q101 WeakPolarHBondContact O-CG 3.35Å; F97-Q101 PolarHBondContact O-N 3.19Å; F97-P168 HydrophobicContact CE1-CB 4.2Å; F97-P168 HydrophobicContact CZ-CB 4.09Å; F97-Y169 HydrophobicContact CB-CD2 3.82Å; F97-Y169 HydrophobicContact CB-CE2 3.92Å; F97-Y169 AromaticContact CD1-CD2 3.83Å; F97-Y169 HydrophobicContact CD1-CD2 3.83Å; F97-Y169 AromaticContact CD2-CD2 3.98Å; F97-Y169 HydrophobicContact CD2-CD2 3.98Å; F97-Y169 HydrophobicContact CE1-CD2 4.4Å; F97-Y169 AromaticContact CG-CD2 3.6Å; F97-Y169 HydrophobicContact CG-CD2 3.6Å; F97-Y169 HydrophobicContact CG-CE2 4.17Å; F97-F172 HydrophobicContact CD2-CB 4.28Å; F97-F172 AromaticContact CD2-CD1 3.88Å; F97-F172 HydrophobicContact CD2-CD1 3.88Å; F97-F172 HydrophobicContact CD2-CD2 4.21Å; F97-F172 HydrophobicContact CD2-CE1 4.23Å; F97-F172 AromaticContact CD2-CG 3.87Å; F97-F172 HydrophobicContact CD2-CG 3.87Å; F97-F172 HydrophobicContact CE2-CB 3.7Å; F97-F172 HydrophobicContact CE2-CD1 4.18Å; F97-F172 HydrophobicContact CE2-CD2 4.05Å; F97-F172 AromaticContact CE2-CG 3.72Å; F97-F172 HydrophobicContact CE2-CG 3.72Å; F97-F172 HydrophobicContact CZ-CB 4.39Å |
| 98 | W | 73.4 | Confident | 71.2 | Confident | 40 Ų | 40 | 47.5 Ų | 47.5 | 15% | 0.152 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.9 | -43.6 | -178.8 | -81.5 | 111.7 | 0 | 0 | 0 | 112.6 | L94 A95 L100 Q101 G102 S103 L105 R164 I165 P168 | L94-W98 PolarHBondContact O-N 3.07Å; L94-W98 VanDerWaalsContact O-N 3.1Å; A95-W98 PolarHBondContact O-N 3.33Å; A95-W98 VanDerWaalsContact O-N 3.12Å; W98-L100 VanDerWaalsContact C-N 3.3Å; W98-L100 PolarHBondContact O-N 3.44Å; W98-Q101 CarbonylContact O-C 3.34Å; W98-Q101 WeakPolarHBondContact O-CA 3.47Å; W98-Q101 PolarHBondContact O-N 3.21Å; W98-G102 PolarHBondContact O-N 2.95Å; W98-S103 CarbonylContact C-O 3.55Å; W98-S103 WeakPolarHBondContact CB-O 3.47Å; W98-S103 PolarHBondContact O-N 3.38Å; W98-L105 HydrophobicContact CB-CB 4.45Å; W98-R164 WeakPolarHBondContact CZ2-O 3.42Å; W98-I165 WeakPolarHBondContact CZ2-O 3.4Å; W98-I165 PolarHBondContact NE1-O 3.35Å; W98-I165 VanDerWaalsContact NE1-O 3.16Å; W98-P168 HydrophobicContact CH2-CB 4.35Å; W98-P168 HydrophobicContact CH2-CG 4.04Å; W98-P168 HydrophobicContact CZ2-CB 4.27Å; W98-P168 HydrophobicContact CZ2-CG 4.02Å |
| 99 | E | 69.3 | Low | 71.5 | Confident | 117 Ų | 117 | 49.7 Ų | 49.7 | 55% | 0.547 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -54.7 | -46.8 | 174.5 | -73.8 | -78 | 133 | 0 | 0 | 110.6 | A95 Q101 G102 S103 | A95-E99 WeakPolarHBondContact O-CB 3.41Å; A95-E99 WeakPolarHBondContact O-CG 3.18Å; A95-E99 PolarHBondContact O-N 3.16Å; E99-Q101 VanDerWaalsContact C-N 3.29Å; E99-Q101 PolarHBondContact O-N 3.23Å; E99-G102 WeakPolarHBondContact O-CA 3.38Å; E99-G102 PolarHBondContact O-N 3.39Å; E99-S103 WeakPolarHBondContact CA-O 3.49Å; E99-S103 PolarHBondContact N-O 3.02Å; E99-S103 VanDerWaalsContact N-O 3.14Å |
| 100 | L | 66.5 | Low | 71.9 | Confident | 33 Ų | 33 | 49.1 Ų | 49.1 | 17% | 0.173 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -71.7 | -18.1 | 177.9 | -69 | 168.3 | 0 | 0 | 0 | 113.8 | K96 F97 W98 G102 R336 V341 E344 | K96-L100 VanDerWaalsContact O-CB 3.24Å; K96-L100 WeakPolarHBondContact O-CB 2.97Å; K96-L100 WeakPolarHBondContact O-CD1 3.33Å; K96-L100 WeakPolarHBondContact O-CG 3.36Å; K96-L100 PolarHBondContact O-N 3.28Å; F97-L100 PolarHBondContact O-N 3.27Å; W98-L100 VanDerWaalsContact C-N 3.3Å; W98-L100 PolarHBondContact O-N 3.44Å; L100-G102 VanDerWaalsContact C-N 3.29Å; L100-R336 HydrophobicContact CD2-CB 4.18Å; L100-R336 HydrophobicContact CD2-CG 3.91Å; L100-V341 HydrophobicContact CB-CB 4.5Å; L100-V341 HydrophobicContact CB-CG1 4.01Å; L100-V341 HydrophobicContact CB-CG2 3.77Å; L100-V341 HydrophobicContact CD1-CB 4.4Å; L100-V341 HydrophobicContact CD1-CG1 3.95Å; L100-V341 HydrophobicContact CD1-CG2 4.31Å; L100-V341 HydrophobicContact CG-CG2 4.45Å; L100-E344 HydrophobicContact CD1-CB 4.41Å |
| 101 | Q | 67.9 | Low | 71.8 | Confident | 26 Ų | 26 | 51.4 Ų | 51.4 | 12% | 0.121 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 2.9 | 164.1 | -62.1 | -40.5 | -71.7 | 0 | 0 | 113.1 | F97 W98 E99 | F97-Q101 HydrophobicContact CE1-CG 4.34Å; F97-Q101 HydrophobicContact CE2-CG 4.19Å; F97-Q101 HydrophobicContact CZ-CG 4.07Å; F97-Q101 WeakPolarHBondContact O-CG 3.35Å; F97-Q101 PolarHBondContact O-N 3.19Å; W98-Q101 CarbonylContact O-C 3.34Å; W98-Q101 WeakPolarHBondContact O-CA 3.47Å; W98-Q101 PolarHBondContact O-N 3.21Å; E99-Q101 VanDerWaalsContact C-N 3.29Å; E99-Q101 PolarHBondContact O-N 3.23Å |
| 102 | G | 61.3 | Low | 71.9 | Confident | 56 Ų | 56 | 61.7 Ų | 61.7 | 58% | 0.577 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 27.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | W98 E99 L100 | W98-G102 PolarHBondContact O-N 2.95Å; E99-G102 WeakPolarHBondContact O-CA 3.38Å; E99-G102 PolarHBondContact O-N 3.39Å; L100-G102 VanDerWaalsContact C-N 3.29Å |
| 103 | S | 67.1 | Low | 71.5 | Confident | 55 Ų | 55 | 63.4 Ų | 63.4 | 39% | 0.385 | 32% | 0.323 | S | S | . | . | trans | -140.9 | 144.5 | -175.1 | -179.1 | 0 | 0 | 0 | 0 | 112.2 | W98 E99 | W98-S103 CarbonylContact C-O 3.55Å; W98-S103 WeakPolarHBondContact CB-O 3.47Å; W98-S103 PolarHBondContact O-N 3.38Å; E99-S103 WeakPolarHBondContact CA-O 3.49Å; E99-S103 PolarHBondContact N-O 3.02Å; E99-S103 VanDerWaalsContact N-O 3.14Å | ||
| 104 | T | 65.1 | Low | 71.3 | Confident | 90 Ų | 90 | 63.6 Ų | 63.6 | 55% | 0.552 | 33% | 0.326 | S | S | * | . | trans | -90.1 | 132.2 | -179.9 | 51.2 | 0 | 0 | 0 | 0 | 111.6 | K106 | T104-K106 PolarHBondContact O-N 3.02Š| ||
| 105 | L | 70.1 | Confident | 71.4 | Confident | 37 Ų | 37 | 63.8 Ų | 63.8 | 19% | 0.194 | 33% | 0.327 | C | S | . | . | trans | -67.1 | 102.8 | 177.7 | 175.9 | 60.7 | 0 | 0 | 0 | 111.5 | L94 A95 W98 I107 L117 I165 | L94-L105 HydrophobicContact CB-CD2 4.26Å; L94-L105 HydrophobicContact CD2-CD1 4.17Å; L94-L105 HydrophobicContact CD2-CD2 4.09Å; L94-L105 HydrophobicContact CG-CD1 4.21Å; L94-L105 HydrophobicContact CG-CD2 3.94Å; A95-L105 HydrophobicContact CB-CB 4.42Å; A95-L105 HydrophobicContact CB-CD2 4.03Å; W98-L105 HydrophobicContact CB-CB 4.45Å; L105-I107 HydrophobicContact CG-CG1 4.4Å; L105-L117 HydrophobicContact CD1-CD1 4.31Å; L105-I165 HydrophobicContact CD1-CG2 3.74Å | ||
| 106 | K | 71.6 | Confident | 71.9 | Confident | 114 Ų | 114 | 64.1 Ų | 64.1 | 50% | 0.496 | 33% | 0.325 | S | S | . | . | trans | -93.3 | 102 | 170.1 | -69.9 | -174.1 | 177.7 | -178.1 | 0 | 111.4 | T104 D200 | T104-K106 PolarHBondContact O-N 3.02Å; K106-D200 IonicContact NZ-OD2 3.03Å; K106-D200 PolarHBondContact NZ-OD2 3.49Å | ||
| 107 | I | 75.5 | Confident | 72.5 | Confident | 72 Ų | 72 | 60 Ų | 60 | 37% | 0.369 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 127.2 | 172.4 | -53.9 | -179.2 | 0 | 0 | 0 | 109.5 | L91 L105 I114 L117 | L91-I107 HydrophobicContact CD2-CD1 4.11Å; L105-I107 HydrophobicContact CG-CG1 4.4Å; I107-I114 HydrophobicContact CG2-CB 4.44Å; I107-L117 HydrophobicContact CG1-CD1 4.03Å; I107-L117 HydrophobicContact CG2-CD1 4.33Å |
| 108 | P | 78.6 | Confident | 72.7 | Confident | 16 Ų | 16 | 61.2 Ų | 61.2 | 10% | 0.104 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -86.2 | 158.2 | -178.3 | 34.2 | -33.6 | 0 | 0 | 0 | 112.4 | L115 H161 I165 | P108-L115 HydrophobicContact CG-CB 3.89Å; P108-L115 HydrophobicContact CG-CD2 3.66Å; P108-L115 HydrophobicContact CG-CG 4.41Å; P108-L115 VanDerWaalsContact O-CB 3.31Å; P108-L115 WeakPolarHBondContact O-CB 3.34Å; P108-L115 PolarHBondContact O-N 3.45Å; P108-H161 HydrophobicContact CG-CB 4.23Å; P108-H161 VanDerWaalsContact CG-CD2 3.43Å; P108-H161 WeakPolarHBondContact CG-CD2 3.24Å; P108-I165 HydrophobicContact CG-CD1 3.97Å |
| 109 | V | 73.8 | Confident | 73.1 | Confident | 98 Ų | 98 | 60.3 Ų | 60.3 | 59% | 0.594 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 126.7 | 176.2 | 177.2 | 0 | 0 | 0 | 0 | 109.9 | K113 I114 | V109-K113 CarbonylContact C-O 3.59Å; V109-K113 WeakPolarHBondContact CA-O 3.36Å; V109-K113 WeakPolarHBondContact CG1-O 3.45Å; V109-I114 HydrophobicContact CG2-CG2 4.47Å |
| 110 | V | 77.9 | Confident | 74.1 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.012 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 128.5 | -178.4 | 178.6 | 0 | 0 | 0 | 0 | 109.1 | R112 K113 L115 Y148 T154 L157 | V110-R112 PolarHBondContact O-N 3.46Å; V110-R112 VanDerWaalsContact O-N 3.13Å; V110-K113 PolarHBondContact N-O 3.3Å; V110-K113 PolarHBondContact O-N 2.93Å; V110-K113 VanDerWaalsContact O-O 3.06Å; V110-L115 HydrophobicContact CG2-CB 4.24Å; V110-L115 HydrophobicContact CG2-CD1 4.43Å; V110-L115 HydrophobicContact CG2-CD2 4.35Å; V110-Y148 HydrophobicContact CB-CE1 3.97Å; V110-Y148 HydrophobicContact CG1-CD1 4.02Å; V110-Y148 HydrophobicContact CG1-CE1 3.6Å; V110-Y148 HydrophobicContact CG1-CE2 4.18Å; V110-T154 HydrophobicContact CG1-CG2 3.45Å; V110-T154 VanDerWaalsContact CG1-CG2 3.45Å; V110-L157 HydrophobicContact CG1-CD2 4.2Å; V110-L157 HydrophobicContact CG2-CD2 4.15Å |
| 111 | E | 76 | Confident | 75.2 | Confident | 61 Ų | 61 | 53.9 Ų | 53.9 | 29% | 0.285 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 36 | -176 | -61.8 | -164.3 | -137.1 | 0 | 0 | 114.9 | Y148 K152 T154 | E111-Y148 HydrophobicContact CB-CD1 4.02Å; E111-Y148 HydrophobicContact CB-CE1 4.22Å; E111-Y148 HydrophobicContact CG-CD1 4.07Å; E111-K152 HydrophobicContact CG-CD 4.45Å; E111-K152 WeakPolarHBondContact OE2-CD 3.44Å; E111-K152 WeakPolarHBondContact OE2-CE 3.48Å; E111-K152 IonicContact OE2-NZ 3.52Å; E111-K152 PolarHBondContact OE2-NZ 3.22Å; E111-T154 HydrophobicContact CG-CG2 4.45Å; E111-T154 PolarHBondContact OE1-OG1 3.36Å |
| 112 | R | 72.4 | Confident | 76 | Confident | 244 Ų | 244 | 56.4 Ų | 56.4 | 92% | 0.921 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 16.4 | -176.7 | -50.3 | 179.9 | 177.9 | 175.7 | -1.7 | 116 | V110 | V110-R112 PolarHBondContact O-N 3.46Å; V110-R112 VanDerWaalsContact O-N 3.13Å |
| 113 | K | 62.6 | Low | 77.3 | Confident | 86 Ų | 86 | 54.5 Ų | 54.5 | 37% | 0.374 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 153.6 | 170.6 | -61.6 | -166 | 173 | -159.6 | 0 | 110.7 | Y9 V109 V110 | Y9-K113 HydrophobicContact CD1-CD 4.17Å; Y9-K113 HydrophobicContact CE1-CD 3.5Å; Y9-K113 VanDerWaalsContact CE1-CD 3.5Å; V109-K113 CarbonylContact C-O 3.59Å; V109-K113 WeakPolarHBondContact CA-O 3.36Å; V109-K113 WeakPolarHBondContact CG1-O 3.45Å; V110-K113 PolarHBondContact N-O 3.3Å; V110-K113 PolarHBondContact O-N 2.93Å; V110-K113 VanDerWaalsContact O-O 3.06Å |
| 114 | I | 71.6 | Confident | 78.4 | Confident | 64 Ų | 64 | 51.9 Ų | 51.9 | 33% | 0.328 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 143.9 | 172.5 | 55.6 | 174 | 0 | 0 | 0 | 110 | I107 V109 D116 I401 E402 | I107-I114 HydrophobicContact CG2-CB 4.44Å; V109-I114 HydrophobicContact CG2-CG2 4.47Å; I114-D116 PolarHBondContact O-N 2.91Å; I114-I401 HydrophobicContact CD1-CD1 3.79Å; I114-I401 HydrophobicContact CD1-CG1 4.24Å; I114-E402 HydrophobicContact CD1-CG 3.88Å; I114-E402 HydrophobicContact CG1-CG 4.44Å |
| 115 | L | 79.8 | Confident | 79.4 | Confident | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | trans | -77.3 | 118.9 | 178.1 | 179.1 | 56.8 | 0 | 0 | 0 | 110.3 | P108 V110 L117 L120 Y148 L158 H161 | P108-L115 HydrophobicContact CG-CB 3.89Å; P108-L115 HydrophobicContact CG-CD2 3.66Å; P108-L115 HydrophobicContact CG-CG 4.41Å; P108-L115 VanDerWaalsContact O-CB 3.31Å; P108-L115 WeakPolarHBondContact O-CB 3.34Å; P108-L115 PolarHBondContact O-N 3.45Å; V110-L115 HydrophobicContact CG2-CB 4.24Å; V110-L115 HydrophobicContact CG2-CD1 4.43Å; V110-L115 HydrophobicContact CG2-CD2 4.35Å; L115-L117 HydrophobicContact CD2-CD2 4.09Å; L115-L117 HydrophobicContact CG-CD2 4.2Å; L115-L117 PolarHBondContact O-N 3.46Å; L115-L120 HydrophobicContact CD1-CD2 4.22Å; L115-L120 HydrophobicContact CD2-CD2 3.78Å; L115-L120 HydrophobicContact CG-CD2 4.17Å; L115-Y148 HydrophobicContact CD1-CE2 4.11Å; L115-L158 HydrophobicContact CD1-CD2 3.38Å; L115-L158 HydrophobicContact CD2-CD2 4.11Å; L115-L158 HydrophobicContact CG-CD2 4.41Å; L115-H161 HydrophobicContact CD2-CB 3.88Å | ||
| 116 | D | 80.1 | Confident | 80.2 | Confident | 38 Ų | 38 | 52.2 Ų | 52.2 | 20% | 0.203 | 26% | 0.264 | C | S | . | . | trans | -66.9 | 89.1 | 172.3 | -171.7 | -16.8 | 0 | 0 | 0 | 110.8 | R87 I114 Y118 A119 L120 | R87-D116 IonicContact CZ-OD1 2.63Å; R87-D116 IonicContact CZ-OD2 2.87Å; R87-D116 IonicContact NH1-OD1 3.11Å; R87-D116 PolarHBondContact NH1-OD1 3.03Å; R87-D116 IonicContact NH1-OD2 2.82Å; R87-D116 PolarHBondContact NH1-OD2 2.73Å; R87-D116 IonicContact NH2-OD1 2.75Å; R87-D116 IonicContact NH2-OD2 2.68Å; R87-D116 PolarHBondContact NH2-OD2 2.81Å; I114-D116 PolarHBondContact O-N 2.91Å; D116-Y118 VanDerWaalsContact C-N 3.26Å; D116-Y118 PolarHBondContact O-N 3.48Å; D116-Y118 PolarHBondContact OD1-N 3.07Å; D116-A119 HydrophobicContact CB-CB 4.14Å; D116-A119 WeakPolarHBondContact OD1-CB 3.48Å; D116-A119 PolarHBondContact OD1-N 3.22Å; D116-A119 WeakPolarHBondContact OD2-CB 3.22Å; D116-L120 WeakPolarHBondContact O-CB 3.31Å; D116-L120 PolarHBondContact O-N 3.11Å | ||
| 117 | L | 83.6 | Confident | 80.9 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.1 | -28.5 | -178.3 | -66.7 | 175.9 | 0 | 0 | 0 | 112.8 | F90 L91 L94 L105 I107 L115 S121 I165 L166 | F90-L117 HydrophobicContact CE1-CB 4.31Å; L91-L117 HydrophobicContact CD2-CB 4.18Å; L91-L117 HydrophobicContact CD2-CD1 4.13Å; L94-L117 HydrophobicContact CD2-CB 4.45Å; L94-L117 HydrophobicContact CD2-CD1 3.87Å; L105-L117 HydrophobicContact CD1-CD1 4.31Å; I107-L117 HydrophobicContact CG1-CD1 4.03Å; I107-L117 HydrophobicContact CG2-CD1 4.33Å; L115-L117 HydrophobicContact CD2-CD2 4.09Å; L115-L117 HydrophobicContact CG-CD2 4.2Å; L115-L117 PolarHBondContact O-N 3.46Å; L117-S121 WeakPolarHBondContact O-CB 3.49Å; L117-S121 PolarHBondContact O-N 3.44Å; L117-S121 PolarHBondContact O-OG 3.02Å; L117-I165 HydrophobicContact CD1-CG2 4.09Å; L117-I165 HydrophobicContact CD2-CD1 4.17Å; L117-I165 HydrophobicContact CD2-CG2 4.27Å; L117-L166 HydrophobicContact CB-CD2 4.38Å; L117-L166 HydrophobicContact CD2-CD1 4.1Å; L117-L166 HydrophobicContact CD2-CG 4.29Å |
| 118 | Y | 82.4 | Confident | 81.2 | Confident | 31 Ų | 31 | 47.2 Ų | 47.2 | 12% | 0.122 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -78.2 | -47.3 | 179.4 | 168.9 | -108.6 | 0 | 0 | 0 | 112.1 | V86 R87 F90 D116 L120 S121 K122 | V86-Y118 HydrophobicContact CG1-CE2 3.76Å; V86-Y118 WeakPolarHBondContact CG1-OH 3.35Å; R87-Y118 HydrophobicContact CB-CD1 3.98Å; R87-Y118 HydrophobicContact CB-CE1 4.48Å; R87-Y118 HydrophobicContact CB-CG 4.31Å; R87-Y118 HydrophobicContact CG-CD1 4.38Å; F90-Y118 HydrophobicContact CB-CD2 3.89Å; F90-Y118 HydrophobicContact CD1-CD2 4.14Å; F90-Y118 HydrophobicContact CD1-CG 4.42Å; F90-Y118 HydrophobicContact CD2-CD2 4.06Å; F90-Y118 AromaticContact CG-CD2 3.76Å; F90-Y118 HydrophobicContact CG-CD2 3.76Å; F90-Y118 HydrophobicContact CG-CG 4.44Å; D116-Y118 VanDerWaalsContact C-N 3.26Å; D116-Y118 PolarHBondContact O-N 3.48Å; D116-Y118 PolarHBondContact OD1-N 3.07Å; Y118-L120 VanDerWaalsContact C-N 3.26Å; Y118-L120 PolarHBondContact O-N 3.4Å; Y118-S121 PolarHBondContact O-N 2.73Å; Y118-S121 PolarHBondContact O-OG 3.31Å; Y118-K122 HydrophobicContact CE2-CD 3.78Å; Y118-K122 HydrophobicContact CE2-CG 4.21Å; Y118-K122 PolarHBondContact O-N 3.46Å; Y118-K122 WeakPolarHBondContact OH-CE 3.29Å; Y118-K122 PolarHBondContact OH-NZ 2.83Å |
| 119 | A | 82.5 | Confident | 81.5 | Confident | 21 Ų | 21 | 46.8 Ų | 46.8 | 17% | 0.174 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.8 | -35.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | D116 I123 L146 | D116-A119 HydrophobicContact CB-CB 4.14Å; D116-A119 WeakPolarHBondContact OD1-CB 3.48Å; D116-A119 PolarHBondContact OD1-N 3.22Å; D116-A119 WeakPolarHBondContact OD2-CB 3.22Å; A119-I123 HydrophobicContact CB-CD1 4.39Å; A119-I123 WeakPolarHBondContact O-CB 3.43Å; A119-I123 WeakPolarHBondContact O-CD1 3.44Å; A119-I123 WeakPolarHBondContact O-CG1 3.25Å; A119-I123 PolarHBondContact O-N 2.61Å; A119-L146 HydrophobicContact CB-CD2 3.62Å |
| 120 | L | 89.7 | Confident | 82.2 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.2 | -47.9 | 174.8 | 175.3 | 59.5 | 0 | 0 | 0 | 112 | L115 D116 Y118 I123 V124 W139 V142 L146 L158 Y162 L166 | L115-L120 HydrophobicContact CD1-CD2 4.22Å; L115-L120 HydrophobicContact CD2-CD2 3.78Å; L115-L120 HydrophobicContact CG-CD2 4.17Å; D116-L120 WeakPolarHBondContact O-CB 3.31Å; D116-L120 PolarHBondContact O-N 3.11Å; Y118-L120 VanDerWaalsContact C-N 3.26Å; Y118-L120 PolarHBondContact O-N 3.4Å; L120-I123 PolarHBondContact O-N 3.21Å; L120-V124 HydrophobicContact CD1-CG2 4.03Å; L120-V124 WeakPolarHBondContact O-CB 3.44Å; L120-V124 WeakPolarHBondContact O-CG2 3.31Å; L120-V124 PolarHBondContact O-N 3.25Å; L120-W139 HydrophobicContact CD1-CZ3 4.21Å; L120-V142 HydrophobicContact CD1-CG1 3.67Å; L120-L146 HydrophobicContact CB-CD1 4.19Å; L120-L146 HydrophobicContact CD1-CD1 3.88Å; L120-L158 HydrophobicContact CD1-CD2 4.31Å; L120-L158 HydrophobicContact CD2-CD2 4.25Å; L120-Y162 HydrophobicContact CD1-CD2 3.89Å; L120-Y162 HydrophobicContact CD1-CE2 4.39Å; L120-Y162 HydrophobicContact CD2-CD2 3.99Å; L120-Y162 HydrophobicContact CG-CD2 3.65Å; L120-Y162 HydrophobicContact CG-CE2 4.04Å; L120-L166 HydrophobicContact CB-CD1 4.22Å; L120-L166 HydrophobicContact CD2-CD1 3.74Å; L120-L166 HydrophobicContact CG-CD1 3.78Å |
| 121 | S | 88.8 | Confident | 82.7 | Confident | 14 Ų | 14 | 48.9 Ų | 48.9 | 10% | 0.098 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.2 | -52.4 | 176.7 | 67.6 | 0 | 0 | 0 | 0 | 111 | F90 L117 Y118 I123 V124 A125 | F90-S121 VanDerWaalsContact CZ-OG 3.27Å; F90-S121 WeakPolarHBondContact CZ-OG 3.49Å; L117-S121 WeakPolarHBondContact O-CB 3.49Å; L117-S121 PolarHBondContact O-N 3.44Å; L117-S121 PolarHBondContact O-OG 3.02Å; Y118-S121 PolarHBondContact O-N 2.73Å; Y118-S121 PolarHBondContact O-OG 3.31Å; S121-I123 PolarHBondContact O-N 2.66Å; S121-V124 PolarHBondContact O-N 2.95Å; S121-V124 VanDerWaalsContact O-N 3.16Å; S121-A125 VanDerWaalsContact O-CB 3.32Å; S121-A125 WeakPolarHBondContact O-CB 3.38Å; S121-A125 PolarHBondContact O-N 3.29Å |
| 122 | K | 84.9 | Confident | 83.2 | Confident | 79 Ų | 79 | 49.7 Ų | 49.7 | 34% | 0.343 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.3 | -34.7 | 178.3 | -76.1 | -162.7 | 169.5 | 175.7 | 0 | 113.8 | Y118 V124 S126 E524 | Y118-K122 HydrophobicContact CE2-CD 3.78Å; Y118-K122 HydrophobicContact CE2-CG 4.21Å; Y118-K122 PolarHBondContact O-N 3.46Å; Y118-K122 WeakPolarHBondContact OH-CE 3.29Å; Y118-K122 PolarHBondContact OH-NZ 2.83Å; K122-V124 VanDerWaalsContact C-N 3.34Å; K122-S126 WeakPolarHBondContact O-CB 3.41Å; K122-S126 PolarHBondContact O-N 2.97Å; K122-S126 PolarHBondContact O-OG 3.15Å; K122-E524 WeakPolarHBondContact CE-OE1 3.1Å; K122-E524 IonicContact NZ-OE1 3.66Å; K122-E524 PolarHBondContact NZ-OE1 3.5Å |
| 123 | I | 89.1 | Confident | 84.1 | Confident | 16 Ų | 16 | 38 Ų | 38 | 8% | 0.082 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -72.8 | -25.6 | 177.3 | -70.5 | 168 | 0 | 0 | 0 | 112.5 | A119 L120 S121 S126 K127 V142 R145 L146 | A119-I123 HydrophobicContact CB-CD1 4.39Å; A119-I123 WeakPolarHBondContact O-CB 3.43Å; A119-I123 WeakPolarHBondContact O-CD1 3.44Å; A119-I123 WeakPolarHBondContact O-CG1 3.25Å; A119-I123 PolarHBondContact O-N 2.61Å; L120-I123 PolarHBondContact O-N 3.21Å; S121-I123 PolarHBondContact O-N 2.66Å; I123-S126 PolarHBondContact O-OG 2.75Å; I123-K127 VanDerWaalsContact CG2-NZ 3.33Å; I123-K127 VanDerWaalsContact O-CD 3.28Å; I123-K127 WeakPolarHBondContact O-CD 3.11Å; I123-K127 WeakPolarHBondContact O-CG 3.47Å; I123-V142 HydrophobicContact CG2-CB 4.27Å; I123-V142 HydrophobicContact CG2-CG1 3.87Å; I123-V142 HydrophobicContact CG2-CG2 4.2Å; I123-R145 HydrophobicContact CD1-CB 4.15Å; I123-R145 HydrophobicContact CD1-CG 3.85Å; I123-R145 HydrophobicContact CG1-CG 4.32Å; I123-R145 HydrophobicContact CG2-CB 4.27Å; I123-R145 HydrophobicContact CG2-CG 4.48Å; I123-L146 HydrophobicContact CD1-CD2 3.74Å; I123-L146 HydrophobicContact CD1-CG 3.91Å |
| 124 | V | 90.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -85.7 | -46 | 175 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | L120 S121 K122 S126 K127 G128 G129 V133 W139 V142 Y162 | L120-V124 HydrophobicContact CD1-CG2 4.03Å; L120-V124 WeakPolarHBondContact O-CB 3.44Å; L120-V124 WeakPolarHBondContact O-CG2 3.31Å; L120-V124 PolarHBondContact O-N 3.25Å; S121-V124 PolarHBondContact O-N 2.95Å; S121-V124 VanDerWaalsContact O-N 3.16Å; K122-V124 VanDerWaalsContact C-N 3.34Å; V124-S126 PolarHBondContact O-N 3.02Å; V124-K127 CarbonylContact O-C 3.48Å; V124-K127 WeakPolarHBondContact O-CA 3.43Å; V124-K127 PolarHBondContact O-N 3.44Å; V124-G128 PolarHBondContact O-N 3.4Å; V124-G129 VanDerWaalsContact CG1-C 3.46Å; V124-G129 PolarHBondContact O-N 3.5Å; V124-V133 HydrophobicContact CB-CG2 4.47Å; V124-V133 HydrophobicContact CG1-CB 4.36Å; V124-V133 HydrophobicContact CG1-CG2 4Å; V124-W139 HydrophobicContact CG1-CH2 4.38Å; V124-W139 HydrophobicContact CG2-CH2 3.69Å; V124-W139 HydrophobicContact CG2-CZ3 3.75Å; V124-V142 HydrophobicContact CG2-CG1 4.17Å; V124-V142 HydrophobicContact CG2-CG2 4.17Å; V124-Y162 HydrophobicContact CB-CD2 4.2Å; V124-Y162 HydrophobicContact CB-CE2 3.44Å; V124-Y162 VanDerWaalsContact CB-CE2 3.44Å; V124-Y162 HydrophobicContact CG1-CD2 4.32Å; V124-Y162 HydrophobicContact CG1-CE1 4.12Å; V124-Y162 HydrophobicContact CG1-CE2 3.66Å; V124-Y162 HydrophobicContact CG2-CD2 3.81Å; V124-Y162 HydrophobicContact CG2-CE2 3.54Å |
| 125 | A | 86.4 | Confident | 86.2 | Confident | 58 Ų | 58 | 41.9 Ų | 41.9 | 48% | 0.479 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -56 | -48 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | S121 K127 G128 | S121-A125 VanDerWaalsContact O-CB 3.32Å; S121-A125 WeakPolarHBondContact O-CB 3.38Å; S121-A125 PolarHBondContact O-N 3.29Å; A125-K127 PolarHBondContact O-N 3Å; A125-G128 PolarHBondContact O-N 3.48Å |
| 126 | S | 85.8 | Confident | 86.8 | Confident | 76 Ų | 76 | 46.4 Ų | 46.4 | 53% | 0.531 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -0.9 | 174.7 | 60.9 | 0 | 0 | 0 | 0 | 115.1 | K122 I123 V124 R145 | K122-S126 WeakPolarHBondContact O-CB 3.41Å; K122-S126 PolarHBondContact O-N 2.97Å; K122-S126 PolarHBondContact O-OG 3.15Å; I123-S126 PolarHBondContact O-OG 2.75Å; V124-S126 PolarHBondContact O-N 3.02Å; S126-R145 PolarHBondContact OG-NH1 2.85Å |
| 127 | K | 86.6 | Confident | 87.2 | Confident | 40 Ų | 40 | 53 Ų | 53 | 17% | 0.174 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | 11.7 | 172.1 | -67.7 | 173.5 | -174.9 | 157.3 | 0 | 113 | I123 V124 A125 I132 V133 K141 V142 | I123-K127 VanDerWaalsContact CG2-NZ 3.33Å; I123-K127 VanDerWaalsContact O-CD 3.28Å; I123-K127 WeakPolarHBondContact O-CD 3.11Å; I123-K127 WeakPolarHBondContact O-CG 3.47Å; V124-K127 CarbonylContact O-C 3.48Å; V124-K127 WeakPolarHBondContact O-CA 3.43Å; V124-K127 PolarHBondContact O-N 3.44Å; A125-K127 PolarHBondContact O-N 3Å; K127-I132 WeakPolarHBondContact O-CG2 3.44Å; K127-V133 HydrophobicContact CB-CG2 3.48Å; K127-V133 VanDerWaalsContact CB-CG2 3.48Å; K127-V133 HydrophobicContact CD-CG2 4.37Å; K127-K141 PolarHBondContact NZ-O 2.89Å; K127-V142 HydrophobicContact CD-CG2 4.23Å |
| 128 | G | 82.5 | Confident | 87.6 | Confident | 41 Ų | 41 | 55.8 Ų | 55.8 | 42% | 0.423 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.6 | 16.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | V124 A125 I132 | V124-G128 PolarHBondContact O-N 3.4Å; A125-G128 PolarHBondContact O-N 3.48Å; G128-I132 WeakPolarHBondContact O-CB 3.38Å; G128-I132 WeakPolarHBondContact O-CD1 3.43Å; G128-I132 WeakPolarHBondContact O-CG1 3.31Å |
| 129 | G | 85.3 | Confident | 88 | Confident | 7 Ų | 7 | 55 Ų | 55 | 7% | 0.072 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | 79.2 | -179 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V124 E131 I132 V133 E170 | V124-G129 VanDerWaalsContact CG1-C 3.46Å; V124-G129 PolarHBondContact O-N 3.5Å; G129-E131 PolarHBondContact O-N 3.04Å; G129-I132 PolarHBondContact O-N 3.32Å; G129-V133 WeakPolarHBondContact O-CG2 3.36Å; G129-V133 PolarHBondContact O-N 2.83Å; G129-V133 VanDerWaalsContact O-N 3.14Å; G129-E170 WeakPolarHBondContact CA-OE1 3.44Å |
| 130 | F | 88.3 | Confident | 88.3 | Confident | 12 Ų | 12 | 58.1 Ų | 58.1 | 5% | 0.053 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.7 | -45.3 | -169.1 | 175.5 | -103.4 | 0 | 0 | 0 | 113.7 | T134 W139 K159 Y162 E163 Y167 E170 | F130-T134 VanDerWaalsContact O-CB 3.27Å; F130-T134 WeakPolarHBondContact O-CB 3.46Å; F130-T134 PolarHBondContact O-N 3.04Å; F130-T134 VanDerWaalsContact O-N 3.07Å; F130-T134 PolarHBondContact O-OG1 3.31Å; F130-W139 HydrophobicContact CD2-CH2 4.11Å; F130-W139 AromaticContact CD2-CZ2 3.64Å; F130-W139 HydrophobicContact CD2-CZ2 3.64Å; F130-W139 HydrophobicContact CE2-CH2 4.39Å; F130-W139 AromaticContact CE2-CZ2 3.77Å; F130-W139 HydrophobicContact CE2-CZ2 3.77Å; F130-K159 HydrophobicContact CE2-CG 3.84Å; F130-K159 HydrophobicContact CZ-CG 4.13Å; F130-Y162 HydrophobicContact CB-CD1 4.05Å; F130-Y162 HydrophobicContact CB-CE1 3.89Å; F130-Y162 AromaticContact CD2-CD1 3.46Å; F130-Y162 HydrophobicContact CD2-CD1 3.46Å; F130-Y162 VanDerWaalsContact CD2-CD1 3.46Å; F130-Y162 HydrophobicContact CD2-CE1 4.18Å; F130-Y162 HydrophobicContact CD2-CG 4.05Å; F130-Y162 HydrophobicContact CE2-CD1 4.32Å; F130-Y162 HydrophobicContact CG-CD1 4.1Å; F130-Y162 HydrophobicContact CG-CE1 4.44Å; F130-E163 HydrophobicContact CE1-CG 4.25Å; F130-E163 HydrophobicContact CE2-CB 3.75Å; F130-E163 HydrophobicContact CE2-CG 4.26Å; F130-E163 HydrophobicContact CZ-CB 3.64Å; F130-E163 HydrophobicContact CZ-CG 3.62Å; F130-E163 WeakPolarHBondContact CZ-OE1 3.45Å; F130-Y167 HydrophobicContact CB-CD2 3.45Å; F130-Y167 VanDerWaalsContact CB-CD2 3.45Å; F130-Y167 HydrophobicContact CB-CE2 3.75Å; F130-Y167 HydrophobicContact CB-CG 4.06Å; F130-Y167 AromaticContact CD1-CD1 3.68Å; F130-Y167 HydrophobicContact CD1-CD1 3.68Å; F130-Y167 AromaticContact CD1-CD2 3.8Å; F130-Y167 HydrophobicContact CD1-CD2 3.8Å; F130-Y167 AromaticContact CD1-CE1 3.68Å; F130-Y167 HydrophobicContact CD1-CE1 3.68Å; F130-Y167 AromaticContact CD1-CE2 3.83Å; F130-Y167 HydrophobicContact CD1-CE2 3.83Å; F130-Y167 AromaticContact CD1-CG 3.74Å; F130-Y167 HydrophobicContact CD1-CG 3.74Å; F130-Y167 AromaticContact CD1-CZ 3.77Å; F130-Y167 AromaticContact CE1-CD1 3.98Å; F130-Y167 HydrophobicContact CE1-CD1 3.98Å; F130-Y167 HydrophobicContact CE1-CE1 4.06Å; F130-Y167 HydrophobicContact CE1-CG 4.38Å; F130-Y167 HydrophobicContact CG-CD1 4.28Å; F130-Y167 AromaticContact CG-CD2 3.77Å; F130-Y167 HydrophobicContact CG-CD2 3.77Å; F130-Y167 HydrophobicContact CG-CE2 4.14Å; F130-Y167 AromaticContact CG-CG 3.87Å; F130-Y167 HydrophobicContact CG-CG 3.87Å; F130-E170 PolarHBondContact N-OE1 3.14Å |
| 131 | E | 87.1 | Confident | 88.2 | Confident | 132 Ų | 132 | 65.3 Ų | 65.3 | 62% | 0.617 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -65.3 | -45.9 | -177.5 | -64.8 | -159.7 | 157.2 | 0 | 0 | 112.1 | G129 T134 K135 Y167 | G129-E131 PolarHBondContact O-N 3.04Å; E131-T134 PolarHBondContact O-N 2.76Å; E131-K135 VanDerWaalsContact O-CB 3.23Å; E131-K135 WeakPolarHBondContact O-CB 3.33Å; E131-K135 PolarHBondContact O-N 2.73Å; E131-Y167 PolarHBondContact OE1-OH 3.02Å |
| 132 | I | 87.9 | Confident | 88.2 | Confident | 78 Ų | 78 | 64.6 Ų | 64.6 | 40% | 0.4 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -68.1 | -45.8 | -176.1 | -64.8 | -171.7 | 0 | 0 | 0 | 110.2 | K127 G128 G129 T134 K135 E136 | K127-I132 WeakPolarHBondContact O-CG2 3.44Å; G128-I132 WeakPolarHBondContact O-CB 3.38Å; G128-I132 WeakPolarHBondContact O-CD1 3.43Å; G128-I132 WeakPolarHBondContact O-CG1 3.31Å; G129-I132 PolarHBondContact O-N 3.32Å; I132-T134 PolarHBondContact O-N 3.21Å; I132-K135 PolarHBondContact O-N 2.86Å; I132-E136 WeakPolarHBondContact CG2-OE2 3.48Å; I132-E136 WeakPolarHBondContact O-CB 3.4Å; I132-E136 PolarHBondContact O-N 3.2Å |
| 133 | V | 90.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.3 | -35.9 | 175.5 | 175.1 | 0 | 0 | 0 | 0 | 112 | V124 K127 G129 K137 K138 W139 V142 | V124-V133 HydrophobicContact CB-CG2 4.47Å; V124-V133 HydrophobicContact CG1-CB 4.36Å; V124-V133 HydrophobicContact CG1-CG2 4Å; K127-V133 HydrophobicContact CB-CG2 3.48Å; K127-V133 VanDerWaalsContact CB-CG2 3.48Å; K127-V133 HydrophobicContact CD-CG2 4.37Å; G129-V133 WeakPolarHBondContact O-CG2 3.36Å; G129-V133 PolarHBondContact O-N 2.83Å; G129-V133 VanDerWaalsContact O-N 3.14Å; V133-K137 PolarHBondContact O-N 2.81Å; V133-K138 HydrophobicContact CG1-CB 4.01Å; V133-K138 PolarHBondContact O-N 3.32Å; V133-W139 HydrophobicContact CB-CZ2 4.35Å; V133-W139 HydrophobicContact CG1-CD2 3.71Å; V133-W139 HydrophobicContact CG1-CE3 4.19Å; V133-W139 HydrophobicContact CG1-CG 4Å; V133-W139 HydrophobicContact CG1-CH2 4.35Å; V133-W139 HydrophobicContact CG1-CZ2 3.91Å; V133-W139 HydrophobicContact CG1-CZ3 4.49Å; V133-V142 HydrophobicContact CG1-CG2 3.79Å |
| 134 | T | 89.9 | Confident | 88.1 | Confident | 44 Ų | 44 | 63.5 Ų | 63.5 | 27% | 0.27 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68.9 | -51.9 | 174.3 | -65.7 | 0 | 0 | 0 | 0 | 112.3 | F130 E131 I132 E136 K137 W139 K159 | F130-T134 VanDerWaalsContact O-CB 3.27Å; F130-T134 WeakPolarHBondContact O-CB 3.46Å; F130-T134 PolarHBondContact O-N 3.04Å; F130-T134 VanDerWaalsContact O-N 3.07Å; F130-T134 PolarHBondContact O-OG1 3.31Å; E131-T134 PolarHBondContact O-N 2.76Å; I132-T134 PolarHBondContact O-N 3.21Å; T134-E136 VanDerWaalsContact C-N 3.33Å; T134-E136 PolarHBondContact O-N 3.14Å; T134-K137 PolarHBondContact O-N 2.97Å; T134-W139 PolarHBondContact OG1-NE1 3.36Å; T134-K159 HydrophobicContact CG2-CD 4.19Å; T134-K159 VanDerWaalsContact CG2-CE 3.41Å; T134-K159 WeakPolarHBondContact OG1-CE 3.45Å |
| 135 | K | 89.2 | Confident | 87.8 | Confident | 187 Ų | 187 | 71 Ų | 71 | 81% | 0.813 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -60.2 | -40.2 | -177.7 | -174 | 174.7 | -177.2 | 175.2 | 0 | 112.4 | E131 I132 K137 | E131-K135 VanDerWaalsContact O-CB 3.23Å; E131-K135 WeakPolarHBondContact O-CB 3.33Å; E131-K135 PolarHBondContact O-N 2.73Å; I132-K135 PolarHBondContact O-N 2.86Å; K135-K137 VanDerWaalsContact C-N 3.33Å |
| 136 | E | 91 | Very high | 87.5 | Confident | 98 Ų | 98 | 69.5 Ų | 69.5 | 46% | 0.458 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 2.8 | 176.8 | -63.1 | 179.2 | 96.6 | 0 | 0 | 113.9 | I132 T134 K138 | I132-E136 WeakPolarHBondContact CG2-OE2 3.48Å; I132-E136 WeakPolarHBondContact O-CB 3.4Å; I132-E136 PolarHBondContact O-N 3.2Å; T134-E136 VanDerWaalsContact C-N 3.33Å; T134-E136 PolarHBondContact O-N 3.14Å; E136-K138 HydrophobicContact CB-CD 4.01Å; E136-K138 HydrophobicContact CB-CG 3.89Å; E136-K138 PolarHBondContact O-N 3.22Å; E136-K138 VanDerWaalsContact O-N 3.13Å; E136-K138 WeakPolarHBondContact OE1-CE 3.29Å; E136-K138 IonicContact OE1-NZ 2.92Å; E136-K138 PolarHBondContact OE1-NZ 3.44Å; E136-K138 WeakPolarHBondContact OE2-CD 3.44Å; E136-K138 WeakPolarHBondContact OE2-CE 3.23Å; E136-K138 IonicContact OE2-NZ 2.85Å; E136-K138 PolarHBondContact OE2-NZ 2.99Å |
| 137 | K | 89.6 | Confident | 87 | Confident | 178 Ų | 178 | 67.9 Ų | 67.9 | 77% | 0.774 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 31 | -177.8 | -55.6 | -178.1 | -179.2 | -179.2 | 0 | 113.4 | V133 T134 K135 W139 | V133-K137 PolarHBondContact O-N 2.81Å; T134-K137 PolarHBondContact O-N 2.97Å; K135-K137 VanDerWaalsContact C-N 3.33Å; K137-W139 PolarHBondContact O-N 3.37Å |
| 138 | K | 90.6 | Very high | 86.8 | Confident | 60 Ų | 60 | 66.7 Ų | 66.7 | 26% | 0.261 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -5.2 | -177.3 | -77.6 | 175.3 | 179 | 166.1 | 0 | 113.7 | V133 E136 S140 K141 V142 | V133-K138 HydrophobicContact CG1-CB 4.01Å; V133-K138 PolarHBondContact O-N 3.32Å; E136-K138 HydrophobicContact CB-CD 4.01Å; E136-K138 HydrophobicContact CB-CG 3.89Å; E136-K138 PolarHBondContact O-N 3.22Å; E136-K138 VanDerWaalsContact O-N 3.13Å; E136-K138 WeakPolarHBondContact OE1-CE 3.29Å; E136-K138 IonicContact OE1-NZ 2.92Å; E136-K138 PolarHBondContact OE1-NZ 3.44Å; E136-K138 WeakPolarHBondContact OE2-CD 3.44Å; E136-K138 WeakPolarHBondContact OE2-CE 3.23Å; E136-K138 IonicContact OE2-NZ 2.85Å; E136-K138 PolarHBondContact OE2-NZ 2.99Å; K138-S140 VanDerWaalsContact C-N 3.34Å; K138-S140 PolarHBondContact O-N 3.1Å; K138-K141 CarbonylContact O-C 3.43Å; K138-K141 WeakPolarHBondContact O-CA 3.48Å; K138-K141 WeakPolarHBondContact O-CB 3.47Å; K138-K141 PolarHBondContact O-N 3.19Å; K138-V142 PolarHBondContact O-N 3.29Å; K138-V142 VanDerWaalsContact O-N 3.08Å |
| 139 | W | 91.8 | Very high | 86.5 | Confident | 15 Ų | 15 | 69.7 Ų | 69.7 | 6% | 0.057 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -39.3 | -179.2 | -75.3 | 109.8 | 0 | 0 | 0 | 115.6 | L120 V124 F130 V133 T134 K137 K141 V142 G143 G155 L158 K159 Y162 | L120-W139 HydrophobicContact CD1-CZ3 4.21Å; V124-W139 HydrophobicContact CG1-CH2 4.38Å; V124-W139 HydrophobicContact CG2-CH2 3.69Å; V124-W139 HydrophobicContact CG2-CZ3 3.75Å; F130-W139 HydrophobicContact CD2-CH2 4.11Å; F130-W139 AromaticContact CD2-CZ2 3.64Å; F130-W139 HydrophobicContact CD2-CZ2 3.64Å; F130-W139 HydrophobicContact CE2-CH2 4.39Å; F130-W139 AromaticContact CE2-CZ2 3.77Å; F130-W139 HydrophobicContact CE2-CZ2 3.77Å; V133-W139 HydrophobicContact CB-CZ2 4.35Å; V133-W139 HydrophobicContact CG1-CD2 3.71Å; V133-W139 HydrophobicContact CG1-CE3 4.19Å; V133-W139 HydrophobicContact CG1-CG 4Å; V133-W139 HydrophobicContact CG1-CH2 4.35Å; V133-W139 HydrophobicContact CG1-CZ2 3.91Å; V133-W139 HydrophobicContact CG1-CZ3 4.49Å; T134-W139 PolarHBondContact OG1-NE1 3.36Å; K137-W139 PolarHBondContact O-N 3.37Å; W139-K141 VanDerWaalsContact C-N 3.29Å; W139-K141 PolarHBondContact O-N 3.23Å; W139-V142 HydrophobicContact CE3-CB 4.25Å; W139-V142 HydrophobicContact CE3-CG1 4.38Å; W139-V142 HydrophobicContact CE3-CG2 4.23Å; W139-V142 HydrophobicContact CZ3-CG1 4.37Å; W139-V142 WeakPolarHBondContact O-CA 3.47Å; W139-V142 VanDerWaalsContact O-CB 3.29Å; W139-V142 WeakPolarHBondContact O-CB 3.32Å; W139-V142 PolarHBondContact O-N 3.49Å; W139-G143 PolarHBondContact O-N 3.36Å; W139-G155 WeakPolarHBondContact CB-O 3.3Å; W139-L158 HydrophobicContact CE3-CB 4.05Å; W139-L158 HydrophobicContact CZ3-CB 4.23Å; W139-K159 HydrophobicContact CD2-CB 3.73Å; W139-K159 HydrophobicContact CD2-CG 4.38Å; W139-K159 HydrophobicContact CE3-CB 4.22Å; W139-K159 HydrophobicContact CG-CB 4.06Å; W139-K159 HydrophobicContact CZ2-CB 4.08Å; W139-K159 HydrophobicContact CZ2-CG 4.02Å; W139-Y162 HydrophobicContact CH2-CD1 4.45Å; W139-Y162 AromaticContact CH2-CD2 3.81Å; W139-Y162 HydrophobicContact CH2-CD2 3.81Å; W139-Y162 AromaticContact CH2-CG 3.7Å; W139-Y162 HydrophobicContact CH2-CG 3.7Å; W139-Y162 HydrophobicContact CZ3-CD2 4.27Å; W139-Y162 HydrophobicContact CZ3-CG 4.46Å |
| 140 | S | 87.9 | Confident | 85.9 | Confident | 86 Ų | 86 | 74.5 Ų | 74.5 | 60% | 0.601 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -64.6 | -35.3 | 174.3 | -53.8 | 0 | 0 | 0 | 0 | 112.1 | K138 V142 G143 S144 | K138-S140 VanDerWaalsContact C-N 3.34Å; K138-S140 PolarHBondContact O-N 3.1Å; S140-V142 PolarHBondContact O-N 3.48Å; S140-G143 PolarHBondContact O-N 3.17Å; S140-S144 PolarHBondContact O-N 2.87Å; S140-S144 PolarHBondContact O-OG 2.96Å |
| 141 | K | 87.8 | Confident | 85 | Confident | 150 Ų | 150 | 77.9 Ų | 77.9 | 65% | 0.652 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -75.9 | -7.3 | 171.4 | -57.1 | -177.9 | 178.2 | -178.1 | 0 | 113.1 | K127 K138 W139 | K127-K141 PolarHBondContact NZ-O 2.89Å; K138-K141 CarbonylContact O-C 3.43Å; K138-K141 WeakPolarHBondContact O-CA 3.48Å; K138-K141 WeakPolarHBondContact O-CB 3.47Å; K138-K141 PolarHBondContact O-N 3.19Å; W139-K141 VanDerWaalsContact C-N 3.29Å; W139-K141 PolarHBondContact O-N 3.23Å |
| 142 | V | 89.2 | Confident | 84.5 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -82.1 | -52.4 | 166.1 | 176.5 | 0 | 0 | 0 | 0 | 108.3 | L120 I123 V124 K127 V133 K138 W139 S140 S144 R145 L146 L158 | L120-V142 HydrophobicContact CD1-CG1 3.67Å; I123-V142 HydrophobicContact CG2-CB 4.27Å; I123-V142 HydrophobicContact CG2-CG1 3.87Å; I123-V142 HydrophobicContact CG2-CG2 4.2Å; V124-V142 HydrophobicContact CG2-CG1 4.17Å; V124-V142 HydrophobicContact CG2-CG2 4.17Å; K127-V142 HydrophobicContact CD-CG2 4.23Å; V133-V142 HydrophobicContact CG1-CG2 3.79Å; K138-V142 PolarHBondContact O-N 3.29Å; K138-V142 VanDerWaalsContact O-N 3.08Å; W139-V142 HydrophobicContact CE3-CB 4.25Å; W139-V142 HydrophobicContact CE3-CG1 4.38Å; W139-V142 HydrophobicContact CE3-CG2 4.23Å; W139-V142 HydrophobicContact CZ3-CG1 4.37Å; W139-V142 WeakPolarHBondContact O-CA 3.47Å; W139-V142 VanDerWaalsContact O-CB 3.29Å; W139-V142 WeakPolarHBondContact O-CB 3.32Å; W139-V142 PolarHBondContact O-N 3.49Å; S140-V142 PolarHBondContact O-N 3.48Å; V142-S144 PolarHBondContact O-N 3.14Å; V142-R145 PolarHBondContact O-N 2.87Å; V142-L146 HydrophobicContact CG1-CD1 3.89Å; V142-L146 PolarHBondContact O-N 3.38Å; V142-L158 HydrophobicContact CG1-CD1 4.46Å |
| 143 | G | 87.2 | Confident | 84.1 | Confident | 3 Ų | 3 | 76.1 Ų | 76.1 | 3% | 0.031 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -53.1 | -48.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | W139 S140 R145 L146 G147 Y148 L158 | W139-G143 PolarHBondContact O-N 3.36Å; S140-G143 PolarHBondContact O-N 3.17Å; G143-R145 VanDerWaalsContact C-N 3.26Å; G143-R145 PolarHBondContact O-N 2.69Å; G143-L146 CarbonylContact O-C 3.58Å; G143-L146 PolarHBondContact O-N 3.19Å; G143-L146 VanDerWaalsContact O-N 3.1Å; G143-G147 PolarHBondContact O-N 3.34Å; G143-Y148 PolarHBondContact O-N 3.03Å; G143-Y148 VanDerWaalsContact O-N 3.08Å; G143-L158 VanDerWaalsContact CA-CD1 3.44Å |
| 144 | S | 84.9 | Confident | 83.9 | Confident | 68 Ų | 68 | 76.6 Ų | 76.6 | 48% | 0.476 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -21.2 | 177.3 | -55.2 | 0 | 0 | 0 | 0 | 114.5 | S140 V142 | S140-S144 PolarHBondContact O-N 2.87Å; S140-S144 PolarHBondContact O-OG 2.96Å; V142-S144 PolarHBondContact O-N 3.14Å |
| 145 | R | 84.3 | Confident | 83.7 | Confident | 158 Ų | 158 | 74.8 Ų | 74.8 | 60% | 0.596 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -19.2 | 173.7 | -164.9 | 178.3 | -177.1 | -164.1 | 6 | 112.1 | I123 S126 V142 G143 G147 | I123-R145 HydrophobicContact CD1-CB 4.15Å; I123-R145 HydrophobicContact CD1-CG 3.85Å; I123-R145 HydrophobicContact CG1-CG 4.32Å; I123-R145 HydrophobicContact CG2-CB 4.27Å; I123-R145 HydrophobicContact CG2-CG 4.48Å; S126-R145 PolarHBondContact OG-NH1 2.85Å; V142-R145 PolarHBondContact O-N 2.87Å; G143-R145 VanDerWaalsContact C-N 3.26Å; G143-R145 PolarHBondContact O-N 2.69Å; R145-G147 VanDerWaalsContact C-N 3.31Å |
| 146 | L | 80.5 | Confident | 83.6 | Confident | 27 Ų | 27 | 70 Ų | 70 | 14% | 0.141 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 10.3 | 170.6 | -72.7 | 167 | 0 | 0 | 0 | 113.1 | A119 L120 I123 V142 G143 Y148 L158 | A119-L146 HydrophobicContact CB-CD2 3.62Å; L120-L146 HydrophobicContact CB-CD1 4.19Å; L120-L146 HydrophobicContact CD1-CD1 3.88Å; I123-L146 HydrophobicContact CD1-CD2 3.74Å; I123-L146 HydrophobicContact CD1-CG 3.91Å; V142-L146 HydrophobicContact CG1-CD1 3.89Å; V142-L146 PolarHBondContact O-N 3.38Å; G143-L146 CarbonylContact O-C 3.58Å; G143-L146 PolarHBondContact O-N 3.19Å; G143-L146 VanDerWaalsContact O-N 3.1Å; L146-Y148 VanDerWaalsContact C-N 3.26Å; L146-Y148 HydrophobicContact CB-CD2 3.66Å; L146-Y148 HydrophobicContact CB-CE2 3.79Å; L146-Y148 HydrophobicContact CD1-CE2 4.24Å; L146-Y148 PolarHBondContact O-N 2.99Å; L146-L158 HydrophobicContact CD1-CD1 4.03Å; L146-L158 HydrophobicContact CD1-CD2 4.07Å |
| 147 | G | 75.2 | Confident | 83.6 | Confident | 41 Ų | 41 | 68.4 Ų | 68.4 | 42% | 0.423 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 6.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | G143 R145 | G143-G147 PolarHBondContact O-N 3.34Å; R145-G147 VanDerWaalsContact C-N 3.31Å |
| 148 | Y | 81.5 | Confident | 83.6 | Confident | 15 Ų | 15 | 60 Ų | 60 | 6% | 0.059 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 143.3 | 175.3 | -65.5 | -63 | 0 | 0 | 0 | 111.9 | V110 E111 L115 G143 L146 T154 L158 | V110-Y148 HydrophobicContact CB-CE1 3.97Å; V110-Y148 HydrophobicContact CG1-CD1 4.02Å; V110-Y148 HydrophobicContact CG1-CE1 3.6Å; V110-Y148 HydrophobicContact CG1-CE2 4.18Å; E111-Y148 HydrophobicContact CB-CD1 4.02Å; E111-Y148 HydrophobicContact CB-CE1 4.22Å; E111-Y148 HydrophobicContact CG-CD1 4.07Å; L115-Y148 HydrophobicContact CD1-CE2 4.11Å; G143-Y148 PolarHBondContact O-N 3.03Å; G143-Y148 VanDerWaalsContact O-N 3.08Å; L146-Y148 VanDerWaalsContact C-N 3.26Å; L146-Y148 HydrophobicContact CB-CD2 3.66Å; L146-Y148 HydrophobicContact CB-CE2 3.79Å; L146-Y148 HydrophobicContact CD1-CE2 4.24Å; L146-Y148 PolarHBondContact O-N 2.99Å; Y148-T154 HydrophobicContact CD1-CG2 4.2Å; Y148-T154 HydrophobicContact CD2-CG2 4.09Å; Y148-T154 HydrophobicContact CG-CG2 3.79Å; Y148-L158 HydrophobicContact CD2-CD1 4.11Å; Y148-L158 HydrophobicContact CE2-CD1 4.44Å; Y148-L158 HydrophobicContact CE2-CD2 4.13Å |
| 149 | L | 76.2 | Confident | 83.7 | Confident | 105 Ų | 105 | 59.5 Ų | 59.5 | 55% | 0.55 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 129.2 | -174.2 | -72.2 | 169.9 | 0 | 0 | 0 | 111 | ||
| 150 | P | 73.7 | Confident | 83.6 | Confident | 108 Ų | 108 | 61.6 Ų | 61.6 | 70% | 0.701 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 142.4 | 179.9 | 27.3 | -34.2 | 0 | 0 | 0 | 111.3 | ||
| 151 | G | 69.4 | Low | 83.6 | Confident | 82 Ų | 82 | 58.8 Ų | 58.8 | 85% | 0.845 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 110.2 | -22.8 | 173 | 0 | 0 | 0 | 0 | 0 | 115.9 | G153 | G151-G153 VanDerWaalsContact C-N 3.26Å; G151-G153 PolarHBondContact O-N 3.02Å |
| 152 | K | 75.8 | Confident | 83.8 | Confident | 134 Ų | 134 | 51.9 Ų | 51.9 | 58% | 0.583 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -82.9 | 17 | -175.5 | -61.2 | -179.4 | -171.3 | 167.9 | 0 | 115.7 | E111 T154 | E111-K152 HydrophobicContact CG-CD 4.45Å; E111-K152 WeakPolarHBondContact OE2-CD 3.44Å; E111-K152 WeakPolarHBondContact OE2-CE 3.48Å; E111-K152 IonicContact OE2-NZ 3.52Å; E111-K152 PolarHBondContact OE2-NZ 3.22Å; K152-T154 PolarHBondContact O-N 3.47Å |
| 153 | G | 80.8 | Confident | 83.8 | Confident | 40 Ų | 40 | 55.7 Ų | 55.7 | 41% | 0.412 | 34% | 0.335 | S | S | . | . | S | Bend | trans | 69.8 | 6.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | G151 G155 S156 L157 | G151-G153 VanDerWaalsContact C-N 3.26Å; G151-G153 PolarHBondContact O-N 3.02Å; G153-G155 PolarHBondContact O-N 3.09Å; G153-G155 VanDerWaalsContact O-N 3.11Å; G153-S156 PolarHBondContact O-N 3.49Å; G153-S156 PolarHBondContact O-OG 3.25Å; G153-L157 PolarHBondContact O-N 2.94Å |
| 154 | T | 84.8 | Confident | 83.7 | Confident | 9 Ų | 9 | 61.3 Ų | 61.3 | 6% | 0.055 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -56.7 | -32.5 | -172.8 | -33.7 | 0 | 0 | 0 | 0 | 113.2 | V110 E111 Y148 K152 S156 L157 L158 | V110-T154 HydrophobicContact CG1-CG2 3.45Å; V110-T154 VanDerWaalsContact CG1-CG2 3.45Å; E111-T154 HydrophobicContact CG-CG2 4.45Å; E111-T154 PolarHBondContact OE1-OG1 3.36Å; Y148-T154 HydrophobicContact CD1-CG2 4.2Å; Y148-T154 HydrophobicContact CD2-CG2 4.09Å; Y148-T154 HydrophobicContact CG-CG2 3.79Å; K152-T154 PolarHBondContact O-N 3.47Å; T154-S156 PolarHBondContact O-N 3.32Å; T154-L157 PolarHBondContact O-N 3.01Å; T154-L158 HydrophobicContact CG2-CD1 4.44Å; T154-L158 WeakPolarHBondContact O-CB 3.08Å; T154-L158 WeakPolarHBondContact O-CG 3.34Å; T154-L158 PolarHBondContact O-N 2.8Å |
| 155 | G | 86.6 | Confident | 83.7 | Confident | 6 Ų | 6 | 58.2 Ų | 58.2 | 6% | 0.062 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.8 | -44.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114 | W139 G153 L158 K159 | W139-G155 WeakPolarHBondContact CB-O 3.3Å; G153-G155 PolarHBondContact O-N 3.09Å; G153-G155 VanDerWaalsContact O-N 3.11Å; G155-L158 PolarHBondContact O-N 2.79Å; G155-K159 PolarHBondContact O-N 2.9Å |
| 156 | S | 87.4 | Confident | 83.8 | Confident | 86 Ų | 86 | 50.8 Ų | 50.8 | 60% | 0.601 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -67.6 | -35.2 | 176 | 18.8 | 0 | 0 | 0 | 0 | 112.5 | G153 T154 K159 S160 | G153-S156 PolarHBondContact O-N 3.49Å; G153-S156 PolarHBondContact O-OG 3.25Å; T154-S156 PolarHBondContact O-N 3.32Å; S156-K159 PolarHBondContact O-N 3.01Å; S156-S160 PolarHBondContact O-N 3.27Å |
| 157 | L | 89.6 | Confident | 84.1 | Confident | 66 Ų | 66 | 50.6 Ų | 50.6 | 35% | 0.346 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 174.6 | -176 | 62 | 0 | 0 | 0 | 111 | V110 G153 T154 K159 S160 H161 | V110-L157 HydrophobicContact CG1-CD2 4.2Å; V110-L157 HydrophobicContact CG2-CD2 4.15Å; G153-L157 PolarHBondContact O-N 2.94Å; T154-L157 PolarHBondContact O-N 3.01Å; L157-K159 PolarHBondContact O-N 3.07Å; L157-S160 PolarHBondContact O-N 3.08Å; L157-H161 PolarHBondContact O-N 2.93Å |
| 158 | L | 90.9 | Very high | 84.4 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.1 | -39.4 | 174.1 | -69.2 | 166.1 | 0 | 0 | 0 | 112.3 | L115 L120 W139 V142 G143 L146 Y148 T154 G155 H161 Y162 | L115-L158 HydrophobicContact CD1-CD2 3.38Å; L115-L158 HydrophobicContact CD2-CD2 4.11Å; L115-L158 HydrophobicContact CG-CD2 4.41Å; L120-L158 HydrophobicContact CD1-CD2 4.31Å; L120-L158 HydrophobicContact CD2-CD2 4.25Å; W139-L158 HydrophobicContact CE3-CB 4.05Å; W139-L158 HydrophobicContact CZ3-CB 4.23Å; V142-L158 HydrophobicContact CG1-CD1 4.46Å; G143-L158 VanDerWaalsContact CA-CD1 3.44Å; L146-L158 HydrophobicContact CD1-CD1 4.03Å; L146-L158 HydrophobicContact CD1-CD2 4.07Å; Y148-L158 HydrophobicContact CD2-CD1 4.11Å; Y148-L158 HydrophobicContact CE2-CD1 4.44Å; Y148-L158 HydrophobicContact CE2-CD2 4.13Å; T154-L158 HydrophobicContact CG2-CD1 4.44Å; T154-L158 WeakPolarHBondContact O-CB 3.08Å; T154-L158 WeakPolarHBondContact O-CG 3.34Å; T154-L158 PolarHBondContact O-N 2.8Å; G155-L158 PolarHBondContact O-N 2.79Å; L158-H161 PolarHBondContact O-N 2.84Å; L158-Y162 WeakPolarHBondContact O-CB 3.14Å; L158-Y162 PolarHBondContact O-N 3.34Å |
| 159 | K | 92.1 | Very high | 84.5 | Confident | 50 Ų | 50 | 49.7 Ų | 49.7 | 22% | 0.217 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -55.9 | -53.2 | 171.8 | -177.8 | -176.2 | 178.3 | -76.9 | 0 | 110.8 | F130 T134 W139 G155 S156 L157 H161 Y162 E163 | F130-K159 HydrophobicContact CE2-CG 3.84Å; F130-K159 HydrophobicContact CZ-CG 4.13Å; T134-K159 HydrophobicContact CG2-CD 4.19Å; T134-K159 VanDerWaalsContact CG2-CE 3.41Å; T134-K159 WeakPolarHBondContact OG1-CE 3.45Å; W139-K159 HydrophobicContact CD2-CB 3.73Å; W139-K159 HydrophobicContact CD2-CG 4.38Å; W139-K159 HydrophobicContact CE3-CB 4.22Å; W139-K159 HydrophobicContact CG-CB 4.06Å; W139-K159 HydrophobicContact CZ2-CB 4.08Å; W139-K159 HydrophobicContact CZ2-CG 4.02Å; G155-K159 PolarHBondContact O-N 2.9Å; S156-K159 PolarHBondContact O-N 3.01Å; L157-K159 PolarHBondContact O-N 3.07Å; K159-H161 VanDerWaalsContact C-N 3.33Å; K159-H161 PolarHBondContact O-N 3.45Å; K159-Y162 WeakPolarHBondContact O-CB 2.98Å; K159-Y162 PolarHBondContact O-N 3.43Å; K159-E163 IonicContact NZ-OE1 2.74Å; K159-E163 PolarHBondContact NZ-OE1 3.12Å; K159-E163 IonicContact NZ-OE2 2.6Å; K159-E163 PolarHBondContact NZ-OE2 2.83Å; K159-E163 VanDerWaalsContact O-CB 3.3Å; K159-E163 WeakPolarHBondContact O-CB 3.49Å; K159-E163 PolarHBondContact O-N 3.36Å |
| 160 | S | 90.1 | Very high | 84.8 | Confident | 60 Ų | 60 | 46.8 Ų | 46.8 | 42% | 0.42 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.1 | -40.3 | -176.6 | 173.9 | 0 | 0 | 0 | 0 | 112.4 | S156 L157 R164 | S156-S160 PolarHBondContact O-N 3.27Å; L157-S160 PolarHBondContact O-N 3.08Å; S160-R164 WeakPolarHBondContact O-CB 3.42Å; S160-R164 PolarHBondContact O-N 3.26Å; S160-R164 VanDerWaalsContact O-N 3.15Å |
| 161 | H | 88.5 | Confident | 85 | Confident | 27 Ų | 27 | 43 Ų | 43 | 13% | 0.125 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.7 | -35.2 | 176 | -67.2 | -5.8 | 0 | 0 | 0 | 112.7 | P108 L115 L157 L158 K159 I165 | P108-H161 HydrophobicContact CG-CB 4.23Å; P108-H161 VanDerWaalsContact CG-CD2 3.43Å; P108-H161 WeakPolarHBondContact CG-CD2 3.24Å; L115-H161 HydrophobicContact CD2-CB 3.88Å; L157-H161 PolarHBondContact O-N 2.93Å; L158-H161 PolarHBondContact O-N 2.84Å; K159-H161 VanDerWaalsContact C-N 3.33Å; K159-H161 PolarHBondContact O-N 3.45Å; H161-I165 WeakPolarHBondContact O-CB 3.3Å; H161-I165 WeakPolarHBondContact O-CG1 3.37Å; H161-I165 PolarHBondContact O-N 2.97Å |
| 162 | Y | 91.2 | Very high | 85.3 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -64.1 | -51.8 | 173.7 | -157 | -73.1 | 0 | 0 | 0 | 111.7 | L120 V124 F130 W139 L158 K159 R164 I165 L166 Y167 E170 | L120-Y162 HydrophobicContact CD1-CD2 3.89Å; L120-Y162 HydrophobicContact CD1-CE2 4.39Å; L120-Y162 HydrophobicContact CD2-CD2 3.99Å; L120-Y162 HydrophobicContact CG-CD2 3.65Å; L120-Y162 HydrophobicContact CG-CE2 4.04Å; V124-Y162 HydrophobicContact CB-CD2 4.2Å; V124-Y162 HydrophobicContact CB-CE2 3.44Å; V124-Y162 VanDerWaalsContact CB-CE2 3.44Å; V124-Y162 HydrophobicContact CG1-CD2 4.32Å; V124-Y162 HydrophobicContact CG1-CE1 4.12Å; V124-Y162 HydrophobicContact CG1-CE2 3.66Å; V124-Y162 HydrophobicContact CG2-CD2 3.81Å; V124-Y162 HydrophobicContact CG2-CE2 3.54Å; F130-Y162 HydrophobicContact CB-CD1 4.05Å; F130-Y162 HydrophobicContact CB-CE1 3.89Å; F130-Y162 AromaticContact CD2-CD1 3.46Å; F130-Y162 HydrophobicContact CD2-CD1 3.46Å; F130-Y162 VanDerWaalsContact CD2-CD1 3.46Å; F130-Y162 HydrophobicContact CD2-CE1 4.18Å; F130-Y162 HydrophobicContact CD2-CG 4.05Å; F130-Y162 HydrophobicContact CE2-CD1 4.32Å; F130-Y162 HydrophobicContact CG-CD1 4.1Å; F130-Y162 HydrophobicContact CG-CE1 4.44Å; W139-Y162 HydrophobicContact CH2-CD1 4.45Å; W139-Y162 AromaticContact CH2-CD2 3.81Å; W139-Y162 HydrophobicContact CH2-CD2 3.81Å; W139-Y162 AromaticContact CH2-CG 3.7Å; W139-Y162 HydrophobicContact CH2-CG 3.7Å; W139-Y162 HydrophobicContact CZ3-CD2 4.27Å; W139-Y162 HydrophobicContact CZ3-CG 4.46Å; L158-Y162 WeakPolarHBondContact O-CB 3.14Å; L158-Y162 PolarHBondContact O-N 3.34Å; K159-Y162 WeakPolarHBondContact O-CB 2.98Å; K159-Y162 PolarHBondContact O-N 3.43Å; Y162-R164 PolarHBondContact O-N 2.93Å; Y162-I165 PolarHBondContact O-N 3.05Å; Y162-L166 HydrophobicContact CD1-CB 3.77Å; Y162-L166 HydrophobicContact CD2-CB 4.05Å; Y162-L166 HydrophobicContact CD2-CD1 3.64Å; Y162-L166 HydrophobicContact CD2-CG 4.49Å; Y162-L166 HydrophobicContact CE1-CB 3.72Å; Y162-L166 HydrophobicContact CE2-CB 3.98Å; Y162-L166 HydrophobicContact CE2-CD1 3.63Å; Y162-L166 HydrophobicContact CE2-CG 4.47Å; Y162-L166 HydrophobicContact CG-CB 3.94Å; Y162-L166 HydrophobicContact CG-CD1 4.26Å; Y162-L166 CarbonylContact O-C 3.49Å; Y162-L166 WeakPolarHBondContact O-CA 3.18Å; Y162-L166 PolarHBondContact O-N 3.46Å; Y162-Y167 PolarHBondContact O-N 3.17Å; Y162-E170 WeakPolarHBondContact CE1-OE2 3.49Å; Y162-E170 VanDerWaalsContact CZ-OE2 3.22Å; Y162-E170 PolarHBondContact OH-OE2 2.9Å |
| 163 | E | 90.2 | Very high | 85.2 | Confident | 80 Ų | 80 | 40.7 Ų | 40.7 | 37% | 0.374 | 22% | 0.217 | S | C | . | . | I | π-helix | trans | -56 | -36.4 | 179.4 | -166.9 | 161.4 | -140.3 | 0 | 0 | 111.9 | F130 K159 | F130-E163 HydrophobicContact CE1-CG 4.25Å; F130-E163 HydrophobicContact CE2-CB 3.75Å; F130-E163 HydrophobicContact CE2-CG 4.26Å; F130-E163 HydrophobicContact CZ-CB 3.64Å; F130-E163 HydrophobicContact CZ-CG 3.62Å; F130-E163 WeakPolarHBondContact CZ-OE1 3.45Å; K159-E163 IonicContact NZ-OE1 2.74Å; K159-E163 PolarHBondContact NZ-OE1 3.12Å; K159-E163 IonicContact NZ-OE2 2.6Å; K159-E163 PolarHBondContact NZ-OE2 2.83Å; K159-E163 VanDerWaalsContact O-CB 3.3Å; K159-E163 WeakPolarHBondContact O-CB 3.49Å; K159-E163 PolarHBondContact O-N 3.36Å |
| 164 | R | 85 | Confident | 84.6 | Confident | 122 Ų | 122 | 41.8 Ų | 41.8 | 46% | 0.46 | 22% | 0.218 | S | C | . | . | I | π-helix | trans | -81.9 | -35.2 | 178.9 | -172.9 | 177.3 | 62.5 | 72.4 | -6.3 | 114.9 | W98 S160 Y162 | W98-R164 WeakPolarHBondContact CZ2-O 3.42Å; S160-R164 WeakPolarHBondContact O-CB 3.42Å; S160-R164 PolarHBondContact O-N 3.26Å; S160-R164 VanDerWaalsContact O-N 3.15Å; Y162-R164 PolarHBondContact O-N 2.93Å |
| 165 | I | 83.6 | Confident | 83.3 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | I | π-helix | trans | -111.7 | -47.7 | -169.5 | -57.8 | 172.6 | 0 | 0 | 0 | 112.6 | L94 W98 L105 P108 L117 H161 Y162 | L94-I165 HydrophobicContact CD2-CG2 4.13Å; W98-I165 WeakPolarHBondContact CZ2-O 3.4Å; W98-I165 PolarHBondContact NE1-O 3.35Å; W98-I165 VanDerWaalsContact NE1-O 3.16Å; L105-I165 HydrophobicContact CD1-CG2 3.74Å; P108-I165 HydrophobicContact CG-CD1 3.97Å; L117-I165 HydrophobicContact CD1-CG2 4.09Å; L117-I165 HydrophobicContact CD2-CD1 4.17Å; L117-I165 HydrophobicContact CD2-CG2 4.27Å; H161-I165 WeakPolarHBondContact O-CB 3.3Å; H161-I165 WeakPolarHBondContact O-CG1 3.37Å; H161-I165 PolarHBondContact O-N 2.97Å; Y162-I165 PolarHBondContact O-N 3.05Å |
| 166 | L | 86.2 | Confident | 81.7 | Confident | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -99 | -30.6 | -166.6 | -71.4 | 172.6 | 0 | 0 | 0 | 112.8 | F90 L94 L117 L120 Y162 Y169 E170 | F90-L166 HydrophobicContact CE1-CD2 4.18Å; F90-L166 HydrophobicContact CZ-CD2 3.84Å; L94-L166 HydrophobicContact CD1-CD2 4.43Å; L94-L166 HydrophobicContact CD2-CD2 3.85Å; L117-L166 HydrophobicContact CB-CD2 4.38Å; L117-L166 HydrophobicContact CD2-CD1 4.1Å; L117-L166 HydrophobicContact CD2-CG 4.29Å; L120-L166 HydrophobicContact CB-CD1 4.22Å; L120-L166 HydrophobicContact CD2-CD1 3.74Å; L120-L166 HydrophobicContact CG-CD1 3.78Å; Y162-L166 HydrophobicContact CD1-CB 3.77Å; Y162-L166 HydrophobicContact CD2-CB 4.05Å; Y162-L166 HydrophobicContact CD2-CD1 3.64Å; Y162-L166 HydrophobicContact CD2-CG 4.49Å; Y162-L166 HydrophobicContact CE1-CB 3.72Å; Y162-L166 HydrophobicContact CE2-CB 3.98Å; Y162-L166 HydrophobicContact CE2-CD1 3.63Å; Y162-L166 HydrophobicContact CE2-CG 4.47Å; Y162-L166 HydrophobicContact CG-CB 3.94Å; Y162-L166 HydrophobicContact CG-CD1 4.26Å; Y162-L166 CarbonylContact O-C 3.49Å; Y162-L166 WeakPolarHBondContact O-CA 3.18Å; Y162-L166 PolarHBondContact O-N 3.46Å; L166-Y169 CarbonylContact O-C 3.45Å; L166-Y169 WeakPolarHBondContact O-CB 3.46Å; L166-Y169 PolarHBondContact O-N 3.05Å; L166-Y169 VanDerWaalsContact O-N 3.14Å; L166-E170 WeakPolarHBondContact O-CB 3.42Å; L166-E170 PolarHBondContact O-N 2.94Å |
| 167 | Y | 87.2 | Confident | 79.9 | Confident | 22 Ų | 22 | 48.8 Ų | 48.8 | 9% | 0.086 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.9 | -38.8 | -178.5 | -168.9 | -138.6 | 0 | 0 | 0 | 114 | F130 E131 Y162 Y169 E170 L171 V181 | F130-Y167 HydrophobicContact CB-CD2 3.45Å; F130-Y167 VanDerWaalsContact CB-CD2 3.45Å; F130-Y167 HydrophobicContact CB-CE2 3.75Å; F130-Y167 HydrophobicContact CB-CG 4.06Å; F130-Y167 AromaticContact CD1-CD1 3.68Å; F130-Y167 HydrophobicContact CD1-CD1 3.68Å; F130-Y167 AromaticContact CD1-CD2 3.8Å; F130-Y167 HydrophobicContact CD1-CD2 3.8Å; F130-Y167 AromaticContact CD1-CE1 3.68Å; F130-Y167 HydrophobicContact CD1-CE1 3.68Å; F130-Y167 AromaticContact CD1-CE2 3.83Å; F130-Y167 HydrophobicContact CD1-CE2 3.83Å; F130-Y167 AromaticContact CD1-CG 3.74Å; F130-Y167 HydrophobicContact CD1-CG 3.74Å; F130-Y167 AromaticContact CD1-CZ 3.77Å; F130-Y167 AromaticContact CE1-CD1 3.98Å; F130-Y167 HydrophobicContact CE1-CD1 3.98Å; F130-Y167 HydrophobicContact CE1-CE1 4.06Å; F130-Y167 HydrophobicContact CE1-CG 4.38Å; F130-Y167 HydrophobicContact CG-CD1 4.28Å; F130-Y167 AromaticContact CG-CD2 3.77Å; F130-Y167 HydrophobicContact CG-CD2 3.77Å; F130-Y167 HydrophobicContact CG-CE2 4.14Å; F130-Y167 AromaticContact CG-CG 3.87Å; F130-Y167 HydrophobicContact CG-CG 3.87Å; E131-Y167 PolarHBondContact OE1-OH 3.02Å; Y162-Y167 PolarHBondContact O-N 3.17Å; Y167-Y169 PolarHBondContact O-N 3.43Å; Y167-E170 HydrophobicContact CD2-CB 4.35Å; Y167-E170 PolarHBondContact O-N 3.13Å; Y167-L171 HydrophobicContact CD1-CD1 4.39Å; Y167-L171 HydrophobicContact CD2-CD1 4.47Å; Y167-L171 HydrophobicContact CD2-CG 4.26Å; Y167-L171 HydrophobicContact CE1-CD1 4.13Å; Y167-L171 HydrophobicContact CE2-CD1 4.19Å; Y167-L171 HydrophobicContact CE2-CD2 4.1Å; Y167-L171 HydrophobicContact CE2-CG 3.96Å; Y167-L171 WeakPolarHBondContact O-CG 3.16Å; Y167-L171 PolarHBondContact O-N 2.98Å; Y167-V181 HydrophobicContact CD1-CG2 4.12Å; Y167-V181 HydrophobicContact CE1-CG2 3.62Å |
| 168 | P | 82.7 | Confident | 78 | Confident | 31 Ų | 31 | 48.1 Ų | 48.1 | 20% | 0.201 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.1 | -34.3 | 170.9 | -24.6 | 36.1 | 0 | 0 | 0 | 112.9 | F97 W98 F172 | F97-P168 HydrophobicContact CE1-CB 4.2Å; F97-P168 HydrophobicContact CZ-CB 4.09Å; W98-P168 HydrophobicContact CH2-CB 4.35Å; W98-P168 HydrophobicContact CH2-CG 4.04Å; W98-P168 HydrophobicContact CZ2-CB 4.27Å; W98-P168 HydrophobicContact CZ2-CG 4.02Å; P168-F172 WeakPolarHBondContact O-CB 3.08Å; P168-F172 PolarHBondContact O-N 3.48Å; P168-F172 VanDerWaalsContact O-N 3.08Å |
| 169 | Y | 82.2 | Confident | 75.5 | Confident | 6 Ų | 6 | 55.7 Ų | 55.7 | 2% | 0.024 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -78.3 | -36.6 | 178.3 | -172.1 | -108 | 0 | 0 | 0 | 112.7 | F90 Q93 L94 F97 L166 Y167 L171 F172 Q173 | F90-Y169 HydrophobicContact CD2-CE1 4.42Å; F90-Y169 HydrophobicContact CE2-CD1 4.35Å; F90-Y169 AromaticContact CE2-CE1 3.83Å; F90-Y169 HydrophobicContact CE2-CE1 3.83Å; F90-Y169 HydrophobicContact CZ-CD1 4.48Å; F90-Y169 HydrophobicContact CZ-CE1 4.31Å; Q93-Y169 VanDerWaalsContact CB-OH 3.32Å; Q93-Y169 WeakPolarHBondContact CB-OH 3.34Å; Q93-Y169 PolarHBondContact OE1-OH 3.39Å; L94-Y169 HydrophobicContact CD1-CD1 3.94Å; L94-Y169 HydrophobicContact CD1-CD2 3.92Å; L94-Y169 HydrophobicContact CD1-CG 3.57Å; F97-Y169 HydrophobicContact CB-CD2 3.82Å; F97-Y169 HydrophobicContact CB-CE2 3.92Å; F97-Y169 AromaticContact CD1-CD2 3.83Å; F97-Y169 HydrophobicContact CD1-CD2 3.83Å; F97-Y169 AromaticContact CD2-CD2 3.98Å; F97-Y169 HydrophobicContact CD2-CD2 3.98Å; F97-Y169 HydrophobicContact CE1-CD2 4.4Å; F97-Y169 AromaticContact CG-CD2 3.6Å; F97-Y169 HydrophobicContact CG-CD2 3.6Å; F97-Y169 HydrophobicContact CG-CE2 4.17Å; L166-Y169 CarbonylContact O-C 3.45Å; L166-Y169 WeakPolarHBondContact O-CB 3.46Å; L166-Y169 PolarHBondContact O-N 3.05Å; L166-Y169 VanDerWaalsContact O-N 3.14Å; Y167-Y169 PolarHBondContact O-N 3.43Å; Y169-L171 VanDerWaalsContact C-N 3.33Å; Y169-L171 PolarHBondContact O-N 3.3Å; Y169-F172 AromaticContact CD2-CD1 3.99Å; Y169-F172 HydrophobicContact CD2-CD1 3.99Å; Y169-F172 AromaticContact CE2-CD1 3.95Å; Y169-F172 HydrophobicContact CE2-CD1 3.95Å; Y169-F172 HydrophobicContact CE2-CE1 4.21Å; Y169-F172 PolarHBondContact O-N 3.36Å; Y169-Q173 HydrophobicContact CD1-CG 4.23Å; Y169-Q173 HydrophobicContact CE1-CG 3.85Å; Y169-Q173 HydrophobicContact CE2-CG 4.39Å; Y169-Q173 WeakPolarHBondContact O-CB 3.39Å; Y169-Q173 WeakPolarHBondContact O-CG 3.43Å; Y169-Q173 PolarHBondContact O-N 3.29Å; Y169-Q173 PolarHBondContact OH-NE2 3.29Å |
| 170 | E | 83 | Confident | 72.7 | Confident | 44 Ų | 44 | 56.7 Ų | 56.7 | 21% | 0.206 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 170.9 | -179.7 | 174.2 | 129.7 | 0 | 0 | 110.6 | G129 F130 Y162 L166 Y167 S174 | G129-E170 WeakPolarHBondContact CA-OE1 3.44Å; F130-E170 PolarHBondContact N-OE1 3.14Å; Y162-E170 WeakPolarHBondContact CE1-OE2 3.49Å; Y162-E170 VanDerWaalsContact CZ-OE2 3.22Å; Y162-E170 PolarHBondContact OH-OE2 2.9Å; L166-E170 WeakPolarHBondContact O-CB 3.42Å; L166-E170 PolarHBondContact O-N 2.94Å; Y167-E170 HydrophobicContact CD2-CB 4.35Å; Y167-E170 PolarHBondContact O-N 3.13Å; E170-S174 VanDerWaalsContact O-CB 3.25Å; E170-S174 WeakPolarHBondContact O-CB 3.39Å; E170-S174 PolarHBondContact O-N 2.75Å; E170-S174 PolarHBondContact O-OG 3.05Å |
| 171 | L | 78.1 | Confident | 70.2 | Confident | 30 Ų | 30 | 58 Ų | 58 | 16% | 0.157 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.1 | -46.8 | 174.2 | -68.9 | 170.8 | 0 | 0 | 0 | 111.5 | Y167 Y169 S174 L178 | Y167-L171 HydrophobicContact CD1-CD1 4.39Å; Y167-L171 HydrophobicContact CD2-CD1 4.47Å; Y167-L171 HydrophobicContact CD2-CG 4.26Å; Y167-L171 HydrophobicContact CE1-CD1 4.13Å; Y167-L171 HydrophobicContact CE2-CD1 4.19Å; Y167-L171 HydrophobicContact CE2-CD2 4.1Å; Y167-L171 HydrophobicContact CE2-CG 3.96Å; Y167-L171 WeakPolarHBondContact O-CG 3.16Å; Y167-L171 PolarHBondContact O-N 2.98Å; Y169-L171 VanDerWaalsContact C-N 3.33Å; Y169-L171 PolarHBondContact O-N 3.3Å; L171-S174 PolarHBondContact O-N 3.38Å; L171-S174 PolarHBondContact O-OG 2.79Å; L171-L178 HydrophobicContact CB-CD2 3.64Å; L171-L178 HydrophobicContact CB-CG 4.22Å; L171-L178 HydrophobicContact CD1-CD2 3.77Å; L171-L178 HydrophobicContact CG-CD2 4.36Å |
| 172 | F | 75 | Confident | 67.4 | Low | 53 Ų | 53 | 65.7 Ų | 65.7 | 23% | 0.232 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -56.2 | -50.1 | 174.2 | 170.2 | -102.4 | 0 | 0 | 0 | 112.8 | F97 P168 Y169 S174 G175 V341 A342 C345 | F97-F172 HydrophobicContact CD2-CB 4.28Å; F97-F172 AromaticContact CD2-CD1 3.88Å; F97-F172 HydrophobicContact CD2-CD1 3.88Å; F97-F172 HydrophobicContact CD2-CD2 4.21Å; F97-F172 HydrophobicContact CD2-CE1 4.23Å; F97-F172 AromaticContact CD2-CG 3.87Å; F97-F172 HydrophobicContact CD2-CG 3.87Å; F97-F172 HydrophobicContact CE2-CB 3.7Å; F97-F172 HydrophobicContact CE2-CD1 4.18Å; F97-F172 HydrophobicContact CE2-CD2 4.05Å; F97-F172 AromaticContact CE2-CG 3.72Å; F97-F172 HydrophobicContact CE2-CG 3.72Å; F97-F172 HydrophobicContact CZ-CB 4.39Å; P168-F172 WeakPolarHBondContact O-CB 3.08Å; P168-F172 PolarHBondContact O-N 3.48Å; P168-F172 VanDerWaalsContact O-N 3.08Å; Y169-F172 AromaticContact CD2-CD1 3.99Å; Y169-F172 HydrophobicContact CD2-CD1 3.99Å; Y169-F172 AromaticContact CE2-CD1 3.95Å; Y169-F172 HydrophobicContact CE2-CD1 3.95Å; Y169-F172 HydrophobicContact CE2-CE1 4.21Å; Y169-F172 PolarHBondContact O-N 3.36Å; F172-S174 VanDerWaalsContact C-N 3.32Å; F172-S174 PolarHBondContact O-N 3.44Å; F172-G175 PolarHBondContact O-N 3.12Å; F172-V341 HydrophobicContact CE2-CG1 4.24Å; F172-V341 HydrophobicContact CZ-CG1 4.41Å; F172-A342 HydrophobicContact CE2-CB 4.3Å; F172-A342 HydrophobicContact CZ-CB 4.45Å; F172-C345 HydrophobicContact CZ-CB 4.48Å |
| 173 | Q | 73.9 | Confident | 64.7 | Low | 113 Ų | 113 | 73.3 Ų | 73.3 | 53% | 0.528 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.4 | -31.8 | 177.6 | -73.9 | -166.4 | -42 | 0 | 0 | 113.1 | Y169 G175 | Y169-Q173 HydrophobicContact CD1-CG 4.23Å; Y169-Q173 HydrophobicContact CE1-CG 3.85Å; Y169-Q173 HydrophobicContact CE2-CG 4.39Å; Y169-Q173 WeakPolarHBondContact O-CB 3.39Å; Y169-Q173 WeakPolarHBondContact O-CG 3.43Å; Y169-Q173 PolarHBondContact O-N 3.29Å; Y169-Q173 PolarHBondContact OH-NE2 3.29Å; Q173-G175 PolarHBondContact O-N 3.09Å |
| 174 | S | 67.5 | Low | 61.9 | Low | 64 Ų | 64 | 74.6 Ų | 74.6 | 45% | 0.448 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -13 | -179.1 | 74.7 | 0 | 0 | 0 | 0 | 114.7 | E170 L171 F172 V176 | E170-S174 VanDerWaalsContact O-CB 3.25Å; E170-S174 WeakPolarHBondContact O-CB 3.39Å; E170-S174 PolarHBondContact O-N 2.75Å; E170-S174 PolarHBondContact O-OG 3.05Å; L171-S174 PolarHBondContact O-N 3.38Å; L171-S174 PolarHBondContact O-OG 2.79Å; F172-S174 VanDerWaalsContact C-N 3.32Å; F172-S174 PolarHBondContact O-N 3.44Å; S174-V176 PolarHBondContact O-N 3.4Å; S174-V176 VanDerWaalsContact O-N 3.15Å; S174-V176 WeakPolarHBondContact OG-CB 3.46Å; S174-V176 WeakPolarHBondContact OG-CG2 2.91Å; S174-V176 PolarHBondContact OG-N 2.95Å |
| 175 | G | 58.3 | Low | 59.1 | Low | 69 Ų | 69 | 76.1 Ų | 76.1 | 71% | 0.711 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | -0.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | F172 Q173 | F172-G175 PolarHBondContact O-N 3.12Å; Q173-G175 PolarHBondContact O-N 3.09Å |
| 176 | V | 54 | Low | 56.5 | Low | 93 Ų | 93 | 83.7 Ų | 83.7 | 56% | 0.564 | 48% | 0.483 | S | S | * | . | trans | -78.6 | 128.7 | 175.9 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | S174 L178 | S174-V176 PolarHBondContact O-N 3.4Å; S174-V176 VanDerWaalsContact O-N 3.15Å; S174-V176 WeakPolarHBondContact OG-CB 3.46Å; S174-V176 WeakPolarHBondContact OG-CG2 2.91Å; S174-V176 PolarHBondContact OG-N 2.95Å; V176-L178 PolarHBondContact O-N 2.63Å | ||
| 177 | S | 48.9 | Very low | 53.7 | Low | 86 Ų | 86 | 90 Ų | 90 | 60% | 0.601 | 52% | 0.517 | S | S | * | . | trans | -56.8 | 137.9 | 177.1 | -66.7 | 0 | 0 | 0 | 0 | 111.4 | M179 | S177-M179 PolarHBondContact O-N 3.45Š| ||
| 178 | L | 50.5 | Low | 51 | Low | 52 Ų | 52 | 96.4 Ų | 96.4 | 27% | 0.272 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -67.4 | 44.2 | -173.7 | -81.9 | 149.5 | 0 | 0 | 0 | 115 | L171 V176 L324 | L171-L178 HydrophobicContact CB-CD2 3.64Å; L171-L178 HydrophobicContact CB-CG 4.22Å; L171-L178 HydrophobicContact CD1-CD2 3.77Å; L171-L178 HydrophobicContact CG-CD2 4.36Å; V176-L178 PolarHBondContact O-N 2.63Å; L178-L324 HydrophobicContact CB-CB 3.67Å; L178-L324 HydrophobicContact CB-CD1 3.93Å; L178-L324 HydrophobicContact CB-CG 4.34Å; L178-L324 HydrophobicContact CD1-CB 4.28Å |
| 179 | M | 36.6 | Very low | 48.4 | Very low | 159 Ų | 159 | 104.5 Ų | 104.5 | 78% | 0.783 | 58% | 0.583 | S | S | * | * | trans | -103.3 | 77.3 | -175.8 | -61 | -174.7 | 72.6 | 0 | 0 | 111 | S177 L324 | S177-M179 PolarHBondContact O-N 3.45Å; M179-L324 HydrophobicContact CG-CD1 4.32Å | ||
| 180 | G | 34.3 | Very low | 45.9 | Very low | 71 Ų | 71 | 113.7 Ų | 113.7 | 73% | 0.732 | 63% | 0.627 | S | S | * | * | trans | -163.5 | -25.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 181 | V | 36.8 | Very low | 43.2 | Very low | 86 Ų | 86 | 121.2 Ų | 121.2 | 52% | 0.521 | 66% | 0.658 | S | S | . | * | trans | -115.7 | 120.9 | -168.9 | -170.7 | 0 | 0 | 0 | 0 | 112.4 | Y167 | Y167-V181 HydrophobicContact CD1-CG2 4.12Å; Y167-V181 HydrophobicContact CE1-CG2 3.62Å | ||
| 182 | Q | 30.3 | Very low | 40.9 | Very low | 189 Ų | 189 | 126.9 Ų | 126.9 | 88% | 0.883 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 122.8 | 163.6 | -69.8 | 178.1 | -20.2 | 0 | 0 | 109 | ||
| 183 | M | 34.4 | Very low | 38.5 | Very low | 165 Ų | 165 | 133 Ų | 133 | 81% | 0.813 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 131.6 | 166.1 | -76.1 | -65.6 | -67.9 | 0 | 0 | 109.4 | ||
| 184 | P | 31.1 | Very low | 36.3 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 69% | 0.688 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 134.6 | 173.6 | -20.6 | 33.3 | 0 | 0 | 0 | 111.9 | ||
| 185 | D | 27.5 | Very low | 34.4 | Very low | 154 Ų | 154 | 137.9 Ų | 137.9 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 125 | 173.4 | -170.3 | 13.7 | 0 | 0 | 0 | 110.1 | ||
| 186 | L | 28.5 | Very low | 33 | Very low | 162 Ų | 162 | 140.6 Ų | 140.6 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | trans | -145.4 | 82.6 | -178.8 | -77 | 179.5 | 0 | 0 | 0 | 110.9 | ||||
| 187 | D | 27.2 | Very low | 31.6 | Very low | 136 Ų | 136 | 142.8 Ų | 142.8 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -73.3 | -177.6 | 162.5 | -169.5 | 15.6 | 0 | 0 | 0 | 111.3 | ||||
| 188 | L | 30.1 | Very low | 30.8 | Very low | 155 Ų | 155 | 143.3 Ų | 143.3 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | trans | 97.3 | 112.9 | 170.1 | -56.3 | 177 | 0 | 0 | 0 | 117.3 | ||||
| 189 | K | 27.3 | Very low | 29.5 | Very low | 201 Ų | 201 | 147.1 Ų | 147.1 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | -76.2 | 129.5 | 158 | -52.3 | 142.8 | -177.8 | 160.1 | 0 | 108.6 | ||||
| 190 | E | 30.3 | Very low | 29 | Very low | 200 Ų | 200 | 144.4 Ų | 144.4 | 94% | 0.935 | 78% | 0.784 | S | S | * | * | trans | -155.6 | 166.3 | 144.4 | -128.3 | 172 | -174.7 | 0 | 0 | 112.3 | ||||
| 191 | K | 27.4 | Very low | 28.6 | Very low | 201 Ų | 201 | 146.9 Ų | 146.9 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | trans | -112.2 | 117.5 | -171.2 | -64.9 | 177.5 | 179 | 179.4 | 0 | 111.7 | ||||
| 192 | V | 28.5 | Very low | 28.1 | Very low | 150 Ų | 150 | 151.3 Ų | 151.3 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -138.1 | 160.4 | 155 | -173.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 193 | E | 26.1 | Very low | 28.1 | Very low | 181 Ų | 181 | 147.6 Ų | 147.6 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -96.9 | 158 | -162.5 | -58.3 | 170.3 | 130.5 | 0 | 0 | 114.2 | ||||
| 194 | A | 26.5 | Very low | 28.8 | Very low | 97 Ų | 97 | 144.8 Ų | 144.8 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | 75.5 | 152.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 195 | E | 27.6 | Very low | 28.8 | Very low | 183 Ų | 183 | 145.9 Ų | 145.9 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | trans | 65.9 | 107.3 | 172.5 | -57.3 | -151.6 | 137.3 | 0 | 0 | 120.7 | ||||
| 196 | V | 28.5 | Very low | 28.9 | Very low | 125 Ų | 125 | 145.4 Ų | 145.4 | 76% | 0.758 | 78% | 0.783 | S | S | * | * | trans | 75.4 | 123.7 | 137.4 | -178.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 197 | L | 25.8 | Very low | 28.8 | Very low | 140 Ų | 140 | 148.5 Ų | 148.5 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | trans | 69 | 87.8 | 162.7 | -108.9 | 70.4 | 0 | 0 | 0 | 119.9 | ||||
| 198 | S | 31.2 | Very low | 28.9 | Very low | 96 Ų | 96 | 145.1 Ų | 145.1 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | 72.1 | 159.1 | 121.4 | -58.8 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 199 | T | 24.2 | Very low | 28.7 | Very low | 132 Ų | 132 | 144.5 Ų | 144.5 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | 67.8 | 139.2 | 173.1 | 63.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 200 | D | 25.7 | Very low | 28.8 | Very low | 103 Ų | 103 | 145.8 Ų | 145.8 | 55% | 0.551 | 78% | 0.783 | S | S | * | * | cis | -154.4 | 166.4 | -14.2 | -135.6 | -19.7 | 0 | 0 | 0 | 109.6 | K106 | K106-D200 IonicContact NZ-OD2 3.03Å; K106-D200 PolarHBondContact NZ-OD2 3.49Å | ||
| 201 | I | 25.9 | Very low | 28.7 | Very low | 123 Ų | 123 | 143.5 Ų | 143.5 | 63% | 0.631 | 77% | 0.774 | S | S | * | * | trans | 65.1 | 108.1 | 150.2 | -65 | 162.1 | 0 | 0 | 0 | 119.4 | ||||
| 202 | Q | 26.5 | Very low | 28.7 | Very low | 179 Ų | 179 | 139.8 Ų | 139.8 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | trans | 65.8 | -174.7 | 146.4 | -65.7 | -174 | 32.7 | 0 | 0 | 116.8 | ||||
| 203 | P | 30.3 | Very low | 28.7 | Very low | 110 Ų | 110 | 140 Ų | 140 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | cis | -131.5 | -170.7 | -3.3 | 35 | -12.2 | 0 | 0 | 0 | 117.1 | ||||
| 204 | S | 48.3 | Very low | 29.4 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | trans | -44.7 | 159.5 | 173.2 | 57 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 205 | P | 32.6 | Very low | 29.9 | Very low | 129 Ų | 129 | 137.4 Ų | 137.4 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | -147.7 | -161.8 | 106.7 | 41.4 | -25.6 | 0 | 0 | 0 | 116.3 | |||||
| 206 | E | 28.2 | Very low | 30.1 | Very low | 143 Ų | 143 | 137.4 Ų | 137.4 | 67% | 0.668 | 75% | 0.746 | S | S | * | * | trans | -94.3 | 157.8 | -159.6 | -64.3 | -172.8 | 93.4 | 0 | 0 | 118.2 | ||||
| 207 | R | 27.8 | Very low | 30.1 | Very low | 227 Ų | 227 | 142.7 Ų | 142.7 | 86% | 0.857 | 75% | 0.752 | S | S | * | * | trans | 46.2 | 122.1 | 143.9 | -62.4 | 168.8 | -147.2 | -138.2 | 9.6 | 121.2 | ||||
| 208 | G | 27.4 | Very low | 30.3 | Very low | 66 Ų | 66 | 142.6 Ų | 142.6 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | trans | 139.4 | 84.3 | 132.1 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 209 | T | 27.4 | Very low | 30.1 | Very low | 142 Ų | 142 | 149.1 Ų | 149.1 | 87% | 0.871 | 77% | 0.768 | S | S | * | * | trans | 68.3 | 134 | 145.3 | 3.4 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 210 | R | 28.3 | Very low | 30 | Very low | 227 Ų | 227 | 154.5 Ų | 154.5 | 86% | 0.857 | 77% | 0.773 | S | S | * | * | trans | 90.4 | 111.6 | 151.6 | -79.6 | -171.7 | 173.8 | -177.4 | -1.2 | 122.8 | ||||
| 211 | M | 28 | Very low | 30.1 | Very low | 152 Ų | 152 | 155.9 Ų | 155.9 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | trans | 91.3 | 116 | 134.1 | -58.2 | -73.4 | -84.6 | 0 | 0 | 122.9 | ||||
| 212 | N | 28.2 | Very low | 30 | Very low | 123 Ų | 123 | 159.7 Ų | 159.7 | 66% | 0.658 | 80% | 0.797 | S | S | * | * | trans | 85.6 | 99.6 | 139 | -68.6 | 2.2 | 0 | 0 | 0 | 125 | ||||
| 213 | I | 29.1 | Very low | 29.9 | Very low | 156 Ų | 156 | 155.8 Ų | 155.8 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | 100.8 | 129.4 | 125.7 | -67.9 | 169.6 | 0 | 0 | 0 | 119.5 | |||||
| 214 | P | 39.5 | Very low | 29.7 | Very low | 109 Ų | 109 | 159.7 Ų | 159.7 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | trans | -114.2 | 179.2 | -165.3 | 48.1 | -36.5 | 0 | 0 | 0 | 113.4 | ||||
| 215 | P | 37.3 | Very low | 28.5 | Very low | 113 Ų | 113 | 160.2 Ų | 160.2 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | -158 | -151.5 | 64.3 | 44.6 | -18.9 | 0 | 0 | 0 | 114.3 | |||||
| 216 | K | 31.2 | Very low | 28.1 | Very low | 183 Ų | 183 | 161.6 Ų | 161.6 | 80% | 0.796 | 80% | 0.802 | S | S | * | * | cis | -165.6 | 145 | -8.7 | -135 | 159.2 | -169.6 | 174.3 | 0 | 111.7 | ||||
| 217 | R | 28.5 | Very low | 27.9 | Very low | 236 Ų | 236 | 160.6 Ų | 160.6 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | trans | 61.7 | 157.4 | 157.4 | -85 | -178.1 | 172.6 | 173.7 | -4.1 | 119.4 | ||||
| 218 | T | 30.7 | Very low | 27.8 | Very low | 139 Ų | 139 | 152.9 Ų | 152.9 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | cis | -113 | -165.7 | -8.3 | 45.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 219 | R | 26.6 | Very low | 27.6 | Very low | 233 Ų | 233 | 159 Ų | 159 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | trans | -146.3 | 136.7 | -156.4 | -158.9 | -176.5 | -163 | -179.9 | 4.5 | 115.3 | ||||
| 220 | R | 23.6 | Very low | 27.6 | Very low | 244 Ų | 244 | 159.4 Ų | 159.4 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | trans | -67.3 | 139.6 | 171.8 | -159.9 | 177.2 | -167.7 | 172.5 | 4.5 | 111.5 | ||||
| 221 | V | 27.9 | Very low | 27.6 | Very low | 132 Ų | 132 | 155.6 Ų | 155.6 | 80% | 0.8 | 81% | 0.811 | S | S | * | * | trans | -117.4 | 163.5 | -178.9 | 177 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 222 | K | 22.7 | Very low | 27.6 | Very low | 204 Ų | 204 | 159.5 Ų | 159.5 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | trans | -147.1 | 112.8 | -165.2 | -176.1 | -171.5 | -175.2 | -173.9 | 0 | 111 | ||||
| 223 | S | 25.4 | Very low | 27.6 | Very low | 97 Ų | 97 | 159.6 Ų | 159.6 | 68% | 0.678 | 82% | 0.818 | S | S | * | * | trans | -158.8 | 105.8 | 172.3 | 45.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 224 | Q | 24.6 | Very low | 27.8 | Very low | 192 Ų | 192 | 157.5 Ų | 157.5 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | 88.7 | 130.2 | 81.2 | -94.1 | -176.6 | -53.8 | 0 | 0 | 111.8 | |||||
| 225 | S | 23.7 | Very low | 27.3 | Very low | 117 Ų | 117 | 157.1 Ų | 157.1 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -71.4 | 140 | 175 | 50.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 226 | D | 24.1 | Very low | 27 | Very low | 159 Ų | 159 | 156.6 Ų | 156.6 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -129.2 | 149.7 | 136.1 | -152.8 | -13.8 | 0 | 0 | 0 | 108.8 | ||||
| 227 | S | 23.8 | Very low | 27 | Very low | 121 Ų | 121 | 155.6 Ų | 155.6 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -128.9 | 72.2 | -175.6 | 59.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 228 | G | 25.1 | Very low | 27.1 | Very low | 65 Ų | 65 | 149.8 Ų | 149.8 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | trans | -110.2 | 154.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 229 | E | 25.1 | Very low | 27 | Very low | 196 Ų | 196 | 147.6 Ų | 147.6 | 92% | 0.916 | 75% | 0.752 | S | S | * | * | trans | -74.3 | 123.3 | -168.2 | -60 | 162.6 | 115 | 0 | 0 | 113.7 | ||||
| 230 | V | 27.1 | Very low | 27.1 | Very low | 149 Ų | 149 | 142.6 Ų | 142.6 | 90% | 0.903 | 74% | 0.738 | S | S | * | * | trans | -132.3 | 85 | 154.1 | -173.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 231 | N | 27.6 | Very low | 27.5 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 79% | 0.786 | 73% | 0.725 | S | S | * | * | trans | -134.3 | 91.1 | 172.2 | 177.8 | 24.8 | 0 | 0 | 0 | 109.8 | ||||
| 232 | R | 27.5 | Very low | 27.7 | Very low | 235 Ų | 235 | 136.8 Ų | 136.8 | 89% | 0.887 | 71% | 0.714 | S | S | * | * | trans | 177.9 | 99.2 | 162.8 | -96.2 | 145.3 | -167.2 | -137.7 | 3.4 | 108.6 | ||||
| 233 | N | 28.4 | Very low | 27.9 | Very low | 125 Ų | 125 | 128.6 Ų | 128.6 | 67% | 0.668 | 69% | 0.687 | S | S | * | * | trans | -170.9 | 81.9 | 158.2 | -99.2 | -14.1 | 0 | 0 | 0 | 108.2 | E235 L236 | N233-E235 PolarHBondContact O-N 3.5Å; N233-L236 HydrophobicContact CB-CD1 3.88Å; N233-L236 HydrophobicContact CB-CG 4.31Å; N233-L236 PolarHBondContact O-N 3.25Å | ||
| 234 | T | 32.7 | Very low | 28 | Very low | 112 Ų | 112 | 126 Ų | 126 | 69% | 0.687 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -26.1 | -177.2 | 40 | 0 | 0 | 0 | 0 | 113.3 | L236 K237 | T234-L236 VanDerWaalsContact C-N 3.33Å; T234-L236 PolarHBondContact O-N 3.19Å; T234-K237 PolarHBondContact O-N 3.2Å |
| 235 | E | 30.5 | Very low | 28.2 | Very low | 100 Ų | 100 | 117.9 Ų | 117.9 | 47% | 0.467 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.5 | -28.6 | -179.9 | -56.8 | -51.2 | 103.7 | 0 | 0 | 113.2 | N233 K237 K238 L239 | N233-E235 PolarHBondContact O-N 3.5Å; E235-K237 PolarHBondContact O-N 3.34Å; E235-K237 VanDerWaalsContact O-N 3.15Å; E235-K238 WeakPolarHBondContact O-CB 3.39Å; E235-K238 PolarHBondContact O-N 3.21Å; E235-K238 WeakPolarHBondContact OE1-CE 3.43Å; E235-K238 IonicContact OE1-NZ 3.28Å; E235-K238 PolarHBondContact OE1-NZ 3.45Å; E235-K238 WeakPolarHBondContact OE2-CD 3.27Å; E235-K238 WeakPolarHBondContact OE2-CE 3.46Å; E235-K238 IonicContact OE2-NZ 3.63Å; E235-K238 PolarHBondContact OE2-NZ 3.01Å; E235-L239 PolarHBondContact O-N 3.1Å |
| 236 | L | 31 | Very low | 28.5 | Very low | 102 Ų | 102 | 113.7 Ų | 113.7 | 53% | 0.534 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -63.1 | -22.5 | 177.2 | -77.4 | 171.4 | 0 | 0 | 0 | 113.1 | N233 T234 L239 Q240 | N233-L236 HydrophobicContact CB-CD1 3.88Å; N233-L236 HydrophobicContact CB-CG 4.31Å; N233-L236 PolarHBondContact O-N 3.25Å; T234-L236 VanDerWaalsContact C-N 3.33Å; T234-L236 PolarHBondContact O-N 3.19Å; L236-L239 HydrophobicContact CD2-CD1 4.22Å; L236-Q240 WeakPolarHBondContact O-CG 3.44Å; L236-Q240 PolarHBondContact O-N 3.39Å |
| 237 | K | 29.9 | Very low | 28.7 | Very low | 163 Ų | 163 | 113.3 Ų | 113.3 | 71% | 0.709 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -74.9 | -25.6 | 171.4 | -83 | -170 | 170.6 | -173 | 0 | 113.6 | T234 E235 | T234-K237 PolarHBondContact O-N 3.2Å; E235-K237 PolarHBondContact O-N 3.34Å; E235-K237 VanDerWaalsContact O-N 3.15Å |
| 238 | K | 30.7 | Very low | 29 | Very low | 113 Ų | 113 | 112.1 Ų | 112.1 | 49% | 0.491 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -75 | -43.2 | 174.1 | -56.5 | 178.9 | -169.9 | 164.5 | 0 | 110.3 | E235 Q240 I241 F242 | E235-K238 WeakPolarHBondContact O-CB 3.39Å; E235-K238 PolarHBondContact O-N 3.21Å; E235-K238 WeakPolarHBondContact OE1-CE 3.43Å; E235-K238 IonicContact OE1-NZ 3.28Å; E235-K238 PolarHBondContact OE1-NZ 3.45Å; E235-K238 WeakPolarHBondContact OE2-CD 3.27Å; E235-K238 WeakPolarHBondContact OE2-CE 3.46Å; E235-K238 IonicContact OE2-NZ 3.63Å; E235-K238 PolarHBondContact OE2-NZ 3.01Å; K238-Q240 PolarHBondContact O-N 3.1Å; K238-I241 WeakPolarHBondContact O-CB 3.49Å; K238-I241 PolarHBondContact O-N 2.84Å; K238-I241 VanDerWaalsContact O-N 3.14Å; K238-F242 WeakPolarHBondContact O-CD2 3.28Å |
| 239 | L | 28.9 | Very low | 29 | Very low | 93 Ų | 93 | 115.5 Ų | 115.5 | 49% | 0.487 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.2 | -25.2 | 177.2 | -73.4 | 166 | 0 | 0 | 0 | 113.7 | E235 L236 I241 F242 | E235-L239 PolarHBondContact O-N 3.1Å; L236-L239 HydrophobicContact CD2-CD1 4.22Å; L239-I241 PolarHBondContact O-N 3.04Å; L239-I241 VanDerWaalsContact O-N 3.11Å; L239-F242 PolarHBondContact O-N 3.15Å |
| 240 | Q | 29.3 | Very low | 29.1 | Very low | 129 Ų | 129 | 109 Ų | 109 | 60% | 0.603 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -11.4 | 175.1 | -80.2 | -179.2 | -12.4 | 0 | 0 | 114.6 | L236 K238 K247 | L236-Q240 WeakPolarHBondContact O-CG 3.44Å; L236-Q240 PolarHBondContact O-N 3.39Å; K238-Q240 PolarHBondContact O-N 3.1Å; Q240-K247 PolarHBondContact O-NZ 3.41Å |
| 241 | I | 31.6 | Very low | 29 | Very low | 124 Ų | 124 | 110 Ų | 110 | 64% | 0.636 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -26.8 | -178.3 | -57.2 | 174.5 | 0 | 0 | 0 | 112 | K238 L239 G243 | K238-I241 WeakPolarHBondContact O-CB 3.49Å; K238-I241 PolarHBondContact O-N 2.84Å; K238-I241 VanDerWaalsContact O-N 3.14Å; L239-I241 PolarHBondContact O-N 3.04Å; L239-I241 VanDerWaalsContact O-N 3.11Å; I241-G243 PolarHBondContact O-N 3.35Å |
| 242 | F | 31.1 | Very low | 28.9 | Very low | 130 Ų | 130 | 107.5 Ų | 107.5 | 57% | 0.57 | 58% | 0.58 | S | S | * | * | trans | -104.6 | 52.1 | -170.3 | -62.3 | -80.6 | 0 | 0 | 0 | 113.5 | K238 L239 | K238-F242 WeakPolarHBondContact O-CD2 3.28Å; L239-F242 PolarHBondContact O-N 3.15Å | ||
| 243 | G | 27.1 | Very low | 28.8 | Very low | 31 Ų | 31 | 103.5 Ų | 103.5 | 32% | 0.32 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -96.8 | 144.3 | 163 | 0 | 0 | 0 | 0 | 0 | 110 | I241 G245 | I241-G243 PolarHBondContact O-N 3.35Å; G243-G245 PolarHBondContact O-N 3.17Å |
| 244 | A | 29 | Very low | 28.7 | Very low | 42 Ų | 42 | 100.8 Ų | 100.8 | 35% | 0.347 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -62.5 | 118.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | W470 L536 | A244-W470 HydrophobicContact CB-CZ3 4.3Å; A244-L536 HydrophobicContact CB-CD1 4.1Å; A244-L536 WeakPolarHBondContact O-CD1 3.31Å |
| 245 | G | 28.4 | Very low | 28.4 | Very low | 22 Ų | 22 | 100 Ų | 100 | 23% | 0.227 | 59% | 0.587 | C | S | . | * | S | Bend | trans | 123.3 | 116 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G243 K247 | G243-G245 PolarHBondContact O-N 3.17Å; G245-K247 PolarHBondContact O-N 3.23Å; G245-K247 VanDerWaalsContact O-N 3.08Å |
| 246 | P | 30 | Very low | 28.4 | Very low | 30 Ų | 30 | 104.7 Ų | 104.7 | 20% | 0.195 | 61% | 0.606 | C | S | . | * | trans | -66.7 | 107.1 | -178.2 | -22.1 | 34.7 | 0 | 0 | 0 | 113.2 | V248 R607 | P246-V248 PolarHBondContact O-N 2.73Å; P246-R607 HydrophobicContact CG-CG 3.96Å | ||
| 247 | K | 27.8 | Very low | 28.3 | Very low | 150 Ų | 150 | 107 Ų | 107 | 65% | 0.652 | 62% | 0.619 | S | S | * | * | trans | -71.4 | 99.7 | 171.2 | -70.2 | 179.3 | -174.4 | 169.6 | 0 | 110.5 | Q240 G245 V249 | Q240-K247 PolarHBondContact O-NZ 3.41Å; G245-K247 PolarHBondContact O-N 3.23Å; G245-K247 VanDerWaalsContact O-N 3.08Å; K247-V249 PolarHBondContact O-N 2.9Å | ||
| 248 | V | 29.8 | Very low | 28.4 | Very low | 96 Ų | 96 | 108.8 Ų | 108.8 | 58% | 0.582 | 63% | 0.627 | S | S | * | * | trans | -60.5 | 107.9 | 173.2 | -93.2 | 0 | 0 | 0 | 0 | 111.2 | P246 G250 | P246-V248 PolarHBondContact O-N 2.73Å; V248-G250 PolarHBondContact O-N 3.29Å | ||
| 249 | V | 26.4 | Very low | 28.5 | Very low | 137 Ų | 137 | 112.5 Ų | 112.5 | 83% | 0.83 | 65% | 0.646 | S | S | * | * | trans | -68.3 | 101.4 | 168.2 | 179 | 0 | 0 | 0 | 0 | 108.5 | K247 L251 | K247-V249 PolarHBondContact O-N 2.9Å; V249-L251 PolarHBondContact O-N 3.49Å | ||
| 250 | G | 27.2 | Very low | 28.7 | Very low | 59 Ų | 59 | 115.6 Ų | 115.6 | 61% | 0.608 | 66% | 0.663 | S | S | * | * | trans | -58.1 | 129.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V248 A252 | V248-G250 PolarHBondContact O-N 3.29Å; G250-A252 PolarHBondContact O-N 3.02Å | ||
| 251 | L | 24.8 | Very low | 28.6 | Very low | 171 Ų | 171 | 118 Ų | 118 | 90% | 0.895 | 67% | 0.674 | S | S | * | * | trans | -72.7 | 67.8 | -176.2 | -91.4 | 150.3 | 0 | 0 | 0 | 112.9 | V249 V253 | V249-L251 PolarHBondContact O-N 3.49Å; L251-V253 PolarHBondContact O-N 3.26Å | ||
| 252 | A | 24.8 | Very low | 28.7 | Very low | 94 Ų | 94 | 117.6 Ų | 117.6 | 78% | 0.777 | 68% | 0.677 | S | S | * | * | trans | -84.8 | 96.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | G250 G254 | G250-A252 PolarHBondContact O-N 3.02Å; A252-G254 PolarHBondContact O-N 3.03Å | ||
| 253 | V | 24.4 | Very low | 28.6 | Very low | 150 Ų | 150 | 116.9 Ų | 116.9 | 91% | 0.909 | 68% | 0.684 | S | S | * | * | trans | -66.6 | 104.1 | 176.8 | 178.5 | 0 | 0 | 0 | 0 | 109.7 | L251 | L251-V253 PolarHBondContact O-N 3.26Š| ||
| 254 | G | 27.8 | Very low | 28.8 | Very low | 69 Ų | 69 | 126.2 Ų | 126.2 | 71% | 0.711 | 71% | 0.709 | S | S | * | * | trans | -161 | 62.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | A252 | A252-G254 PolarHBondContact O-N 3.03Š| ||
| 255 | A | 25.7 | Very low | 28.8 | Very low | 94 Ų | 94 | 135.8 Ų | 135.8 | 78% | 0.777 | 74% | 0.737 | S | S | * | * | trans | -58.1 | 140.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 256 | K | 29.8 | Very low | 28.9 | Very low | 199 Ų | 199 | 146.7 Ų | 146.7 | 87% | 0.865 | 77% | 0.771 | S | S | * | * | trans | -165.2 | 98.4 | 161.4 | -116.5 | 162.1 | -168.5 | 162.7 | 0 | 112.4 | ||||
| 257 | D | 29.5 | Very low | 28.7 | Very low | 151 Ų | 151 | 154.7 Ų | 154.7 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | trans | -64.5 | 149.5 | 166.8 | -43.6 | -74.5 | 0 | 0 | 0 | 110.9 | ||||
| 258 | K | 31.3 | Very low | 28.8 | Very low | 201 Ų | 201 | 154.3 Ų | 154.3 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -148 | 87.4 | 162.2 | -81.5 | -162.6 | 174.6 | -174.4 | 0 | 109.6 | ||||
| 259 | E | 33.1 | Very low | 28.8 | Very low | 190 Ų | 190 | 155.4 Ų | 155.4 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | trans | -70.5 | 169.9 | 151.1 | -68.4 | -171 | 125.9 | 0 | 0 | 110.5 | ||||
| 260 | D | 33 | Very low | 28.9 | Very low | 158 Ų | 158 | 156.2 Ų | 156.2 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | trans | -84.3 | 164.9 | -160.9 | -80.6 | -61.3 | 0 | 0 | 0 | 117 | ||||
| 261 | E | 28.1 | Very low | 29 | Very low | 179 Ų | 179 | 164.3 Ų | 164.3 | 84% | 0.836 | 83% | 0.831 | S | S | * | * | trans | 6.1 | 123.9 | 149.4 | -158.6 | 169.5 | -146.2 | 0 | 0 | 119.7 | ||||
| 262 | V | 32.5 | Very low | 29.3 | Very low | 117 Ų | 117 | 160.5 Ų | 160.5 | 71% | 0.709 | 82% | 0.819 | S | S | * | * | 177 | 92.6 | 120.3 | 153.4 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 263 | T | 29.8 | Very low | 29.6 | Very low | 115 Ų | 115 | 163.9 Ų | 163.9 | 71% | 0.706 | 82% | 0.824 | S | S | * | * | trans | 68 | 160.5 | 147.7 | 79.3 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 264 | R | 31.7 | Very low | 30 | Very low | 227 Ų | 227 | 159.7 Ų | 159.7 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | trans | 74.3 | 82.1 | 154.8 | -69.5 | 168.2 | -173.8 | -165.4 | 2.8 | 120.9 | ||||
| 265 | R | 27.8 | Very low | 30.2 | Very low | 243 Ų | 243 | 166.6 Ų | 166.6 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | 24.5 | 108.2 | 125.8 | -64.6 | 178.4 | 173.2 | -178.2 | -1.8 | 118.4 | |||||
| 266 | R | 31.2 | Very low | 30.5 | Very low | 251 Ų | 251 | 167.6 Ų | 167.6 | 95% | 0.947 | 81% | 0.808 | S | S | * | * | -174.3 | 157.7 | 115.5 | -106.4 | 169.2 | 174.8 | 169.3 | -1.8 | 113.3 | |||||
| 267 | K | 26.9 | Very low | 30.7 | Very low | 198 Ų | 198 | 167.3 Ų | 167.3 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | trans | -70.6 | 146 | 167.8 | -60.5 | 174 | 175.3 | -179.5 | 0 | 110.2 | ||||
| 268 | V | 29.5 | Very low | 30.9 | Very low | 142 Ų | 142 | 167.4 Ų | 167.4 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | -175.9 | 159.3 | 124.3 | 144 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 269 | T | 29.9 | Very low | 31.1 | Very low | 119 Ų | 119 | 166.5 Ų | 166.5 | 73% | 0.73 | 81% | 0.809 | S | S | * | * | trans | -81.6 | 153 | -161.9 | 50.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 270 | N | 27.2 | Very low | 31.2 | Very low | 153 Ų | 153 | 167 Ų | 167 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | 16.6 | 128.6 | 143.7 | -61.2 | 6.2 | 0 | 0 | 0 | 120.6 | ||||
| 271 | R | 30.6 | Very low | 31.2 | Very low | 230 Ų | 230 | 166.4 Ų | 166.4 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | 171.6 | 125 | 117.4 | -90.7 | -177.8 | 165 | 149.6 | -2.2 | 107.6 | |||||
| 272 | S | 30 | Very low | 31.6 | Very low | 91 Ų | 91 | 168.5 Ų | 168.5 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | 74.5 | 108.9 | 54.7 | 83.4 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 273 | D | 31.2 | Very low | 31.6 | Very low | 164 Ų | 164 | 172.8 Ų | 172.8 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | 173.9 | 149.3 | 150.5 | -91.4 | -17 | 0 | 0 | 0 | 107.8 | ||||
| 274 | A | 33.4 | Very low | 31.7 | Very low | 63 Ų | 63 | 171.1 Ų | 171.1 | 52% | 0.521 | 81% | 0.809 | S | S | . | * | cis | -163.3 | 155.1 | -16.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 275 | F | 32.5 | Very low | 31.8 | Very low | 214 Ų | 214 | 166.5 Ų | 166.5 | 94% | 0.939 | 81% | 0.807 | S | S | * | * | trans | -145.7 | 136.6 | 138.6 | -119.8 | -81 | 0 | 0 | 0 | 109.4 | ||||
| 276 | N | 31.3 | Very low | 32.1 | Very low | 114 Ų | 114 | 162.9 Ų | 162.9 | 61% | 0.61 | 81% | 0.805 | S | S | * | * | trans | -110.2 | 143.9 | -165.8 | -80.7 | -93 | 0 | 0 | 0 | 112.3 | ||||
| 277 | M | 34.1 | Very low | 32.1 | Very low | 193 Ų | 193 | 156.8 Ų | 156.8 | 95% | 0.951 | 80% | 0.8 | S | S | * | * | trans | -146 | 156.7 | 130.7 | -119.2 | 164.6 | 65.1 | 0 | 0 | 110.7 | ||||
| 278 | Q | 33.6 | Very low | 32.4 | Very low | 153 Ų | 153 | 152.7 Ų | 152.7 | 72% | 0.715 | 79% | 0.792 | S | S | * | * | trans | -123.4 | 148.6 | -146.8 | -60.1 | 162.5 | -18.8 | 0 | 0 | 113.3 | ||||
| 279 | M | 35.8 | Very low | 32.8 | Very low | 182 Ų | 182 | 151.9 Ų | 151.9 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | trans | -178.6 | 88.6 | 137.3 | -85.2 | -100.8 | -166.6 | 0 | 0 | 108 | ||||
| 280 | R | 35.7 | Very low | 33.4 | Very low | 201 Ų | 201 | 155 Ų | 155 | 76% | 0.758 | 79% | 0.787 | S | S | * | * | 67.6 | 102.3 | 94.7 | -78.8 | -168.3 | 172.7 | -164.4 | 0.3 | 117.1 | |||||
| 281 | Q | 32.4 | Very low | 34.4 | Very low | 145 Ų | 145 | 151.8 Ų | 151.8 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | trans | 68.9 | 147.3 | 130.1 | -63.1 | -176.9 | 25.9 | 0 | 0 | 118.7 | ||||
| 282 | R | 36.5 | Very low | 35.5 | Very low | 224 Ų | 224 | 146.3 Ų | 146.3 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | cis | -151.9 | 153.1 | 9.5 | -130.9 | 164.7 | -169.5 | -177.3 | 2.8 | 110 | ||||
| 283 | K | 31.7 | Very low | 36.8 | Very low | 207 Ų | 207 | 147.8 Ų | 147.8 | 90% | 0.9 | 76% | 0.76 | S | S | * | * | trans | -73.1 | 143.3 | 177.1 | -74.1 | -175.2 | 173.9 | -175.4 | 0 | 112.6 | ||||
| 284 | G | 33.2 | Very low | 38.5 | Very low | 79 Ų | 79 | 144.9 Ų | 144.9 | 81% | 0.814 | 74% | 0.738 | S | S | * | * | trans | -144.3 | 112.6 | 155.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 285 | T | 32.6 | Very low | 40.7 | Very low | 131 Ų | 131 | 145.1 Ų | 145.1 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | trans | -88.5 | 118.4 | -172.8 | 42.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 286 | L | 34.6 | Very low | 43.2 | Very low | 167 Ų | 167 | 134.9 Ų | 134.9 | 87% | 0.874 | 69% | 0.688 | S | S | * | * | trans | -131.2 | 149.4 | 156 | -75.9 | 174.4 | 0 | 0 | 0 | 108.7 | ||||
| 287 | S | 30.5 | Very low | 45.4 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 85% | 0.853 | 68% | 0.682 | S | S | * | * | trans | -76.6 | 126.1 | -178.8 | 50.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 288 | V | 34.6 | Very low | 47.2 | Very low | 113 Ų | 113 | 130.1 Ų | 130.1 | 69% | 0.685 | 66% | 0.659 | S | S | * | * | trans | -132 | 155 | 170.6 | -172.3 | 0 | 0 | 0 | 0 | 107.6 | D292 | V288-D292 WeakPolarHBondContact CG1-OD2 3.39Š| ||
| 289 | N | 37.8 | Very low | 49.7 | Very low | 125 Ų | 125 | 125.3 Ų | 125.3 | 67% | 0.668 | 64% | 0.642 | S | S | * | * | trans | -71 | 151.4 | -170.7 | -68.1 | -38.6 | 0 | 0 | 0 | 112.2 | V291 | N289-V291 PolarHBondContact O-N 3.21Š| ||
| 290 | F | 41.2 | Very low | 51.5 | Low | 184 Ų | 184 | 119.5 Ų | 119.5 | 81% | 0.807 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -0.9 | 176.4 | -104.2 | -94 | 0 | 0 | 0 | 114.5 | L293 | F290-L293 HydrophobicContact CD1-CD1 4.34Š|
| 291 | V | 49.6 | Very low | 53.6 | Low | 85 Ų | 85 | 117.8 Ų | 117.8 | 52% | 0.515 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.7 | -29.6 | -175.8 | -165.9 | 0 | 0 | 0 | 0 | 111.8 | N289 L293 | N289-V291 PolarHBondContact O-N 3.21Å; V291-L293 PolarHBondContact O-N 3.36Å |
| 292 | D | 52.4 | Low | 55.4 | Low | 115 Ų | 115 | 112.6 Ų | 112.6 | 62% | 0.615 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 13.9 | -177.2 | -62.3 | -67.8 | 0 | 0 | 0 | 114.5 | V288 | V288-D292 WeakPolarHBondContact CG1-OD2 3.39Š|
| 293 | L | 59 | Low | 57.2 | Low | 123 Ų | 123 | 105.1 Ų | 105.1 | 64% | 0.644 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | -17.9 | -175 | -82.9 | 162.4 | 0 | 0 | 0 | 114.4 | F290 V291 | F290-L293 HydrophobicContact CD1-CD1 4.34Å; V291-L293 PolarHBondContact O-N 3.36Å |
| 294 | Y | 65.8 | Low | 59.2 | Low | 103 Ų | 103 | 98.7 Ų | 98.7 | 40% | 0.404 | 56% | 0.56 | S | S | . | * | trans | -103.9 | 113.2 | -175.6 | -63.4 | -77.5 | 0 | 0 | 0 | 111.3 | L310 | Y294-L310 HydrophobicContact CD1-CD2 3.41Å; Y294-L310 VanDerWaalsContact CD1-CD2 3.41Å; Y294-L310 HydrophobicContact CE1-CD1 4.36Å; Y294-L310 HydrophobicContact CE1-CD2 3.63Å; Y294-L310 HydrophobicContact CG-CD2 4.15Å | ||
| 295 | V | 79.9 | Confident | 61 | Low | 67 Ų | 67 | 101.6 Ų | 101.6 | 41% | 0.406 | 55% | 0.552 | S | S | . | * | trans | -119.2 | 134.6 | 176.7 | -72.9 | 0 | 0 | 0 | 0 | 109.9 | M297 S317 | V295-M297 PolarHBondContact O-N 3.37Å; V295-S317 PolarHBondContact N-OG 2.85Å; V295-S317 PolarHBondContact O-OG 2.96Å; V295-S317 VanDerWaalsContact O-OG 3.13Å | ||
| 296 | C | 84.9 | Confident | 63.2 | Low | 0 Ų | 0 | 101 Ų | 101 | 0% | 0 | 54% | 0.544 | C | S | . | . | B | Isolated β-bridge | trans | -59.6 | 113.2 | 176.5 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | F298 C299 G300 R301 L308 S317 H319 | C296-F298 PolarHBondContact O-N 3.31Å; C296-C299 PolarHBondContact O-N 3.2Å; C296-C299 VanDerWaalsContact O-N 3.11Å; C296-C299 VanDerWaalsContact SG-SG 3.68Å; C296-G300 WeakPolarHBondContact O-CA 3.29Å; C296-G300 PolarHBondContact O-N 3.48Å; C296-R301 VanDerWaalsContact CB-O 3.31Å; C296-R301 WeakPolarHBondContact CB-O 3.47Å; C296-R301 PolarHBondContact N-O 3.32Å; C296-L308 HydrophobicContact CB-CD1 3.97Å; C296-S317 CarbonylContact C-O 3.37Å; C296-S317 WeakPolarHBondContact CA-O 3.43Å; C296-H319 WeakPolarHBondContact CB-CE1 3.48Å; C296-H319 VanDerWaalsContact CB-ND1 3.28Å; C296-H319 WeakPolarHBondContact CB-ND1 3.49Å; C296-H319 PolarHBondContact SG-N 3.04Å; C296-H319 PolarHBondContact SG-ND1 2.89Å |
| 297 | M | 78.6 | Confident | 65.2 | Low | 98 Ų | 98 | 97 Ų | 97 | 48% | 0.483 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -11.2 | -175.3 | -69.4 | -65.4 | -80.8 | 0 | 0 | 113.8 | V295 D316 S317 Y318 | V295-M297 PolarHBondContact O-N 3.37Å; M297-D316 HydrophobicContact CG-CB 4.05Å; M297-S317 WeakPolarHBondContact CG-O 3.47Å; M297-S317 PolarHBondContact N-O 2.68Å; M297-Y318 HydrophobicContact CB-CD1 4.4Å; M297-Y318 HydrophobicContact CB-CE1 3.89Å; M297-Y318 HydrophobicContact CB-CE2 4.4Å |
| 298 | F | 71.3 | Confident | 67.7 | Low | 109 Ų | 109 | 93 Ų | 93 | 48% | 0.478 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -32.8 | 175.3 | -133.4 | -77.5 | 0 | 0 | 0 | 113.7 | C296 Y318 C322 L324 | C296-F298 PolarHBondContact O-N 3.31Å; F298-Y318 HydrophobicContact CB-CD1 4.43Å; F298-Y318 HydrophobicContact CD2-CD1 4.29Å; F298-Y318 HydrophobicContact CD2-CE1 4.25Å; F298-C322 HydrophobicContact CB-CB 3.85Å; F298-C322 WeakPolarHBondContact CD2-O 3.31Å; F298-C322 HydrophobicContact CG-CB 4.4Å; F298-C322 WeakPolarHBondContact CG-O 3.48Å; F298-L324 HydrophobicContact CZ-CD1 3.94Å |
| 299 | C | 84.7 | Confident | 69.9 | Low | 51 Ų | 51 | 88.3 Ų | 88.3 | 35% | 0.345 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | -7.9 | -173.1 | 81.5 | 0 | 0 | 0 | 0 | 114.8 | C296 H319 | C296-C299 PolarHBondContact O-N 3.2Å; C296-C299 VanDerWaalsContact O-N 3.11Å; C296-C299 VanDerWaalsContact SG-SG 3.68Å; C299-H319 VanDerWaalsContact SG-CE1 3.58Å; C299-H319 PolarHBondContact SG-ND1 3.25Å; C299-H319 VanDerWaalsContact SG-ND1 3.45Å |
| 300 | G | 75.3 | Confident | 72.1 | Confident | 61 Ų | 61 | 85.6 Ų | 85.6 | 63% | 0.629 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 23.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | C296 | C296-G300 WeakPolarHBondContact O-CA 3.29Å; C296-G300 PolarHBondContact O-N 3.48Å |
| 301 | R | 78.1 | Confident | 74.1 | Confident | 165 Ų | 165 | 76.8 Ų | 76.8 | 62% | 0.623 | 41% | 0.406 | S | S | * | . | B | Isolated β-bridge | trans | -130.6 | 144.1 | -175.8 | -52.4 | 179.5 | -174.3 | -167.1 | 0.5 | 112.4 | C296 N303 H319 | C296-R301 VanDerWaalsContact CB-O 3.31Å; C296-R301 WeakPolarHBondContact CB-O 3.47Å; C296-R301 PolarHBondContact N-O 3.32Å; R301-N303 WeakPolarHBondContact CB-OD1 3.49Å; R301-H319 PolarHBondContact O-CE1 2.69Å |
| 302 | G | 70.4 | Confident | 75.6 | Confident | 36 Ų | 36 | 77.1 Ų | 77.1 | 37% | 0.371 | 41% | 0.405 | S | S | . | . | trans | -101 | 21.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 303 | N | 75.1 | Confident | 76.7 | Confident | 66 Ų | 66 | 73.9 Ų | 73.9 | 35% | 0.353 | 40% | 0.399 | S | S | . | . | trans | -75 | 170.6 | 173 | 66.6 | -77 | 0 | 0 | 0 | 111.2 | R301 H319 | R301-N303 WeakPolarHBondContact CB-OD1 3.49Å; N303-H319 PolarHBondContact O-NE2 3.45Å | ||
| 304 | N | 74.2 | Confident | 77.9 | Confident | 73 Ų | 73 | 70.6 Ų | 70.6 | 39% | 0.39 | 39% | 0.386 | S | S | . | . | trans | 54.7 | 54.7 | 175.9 | -54.3 | 11.6 | 0 | 0 | 0 | 112.9 | D306 K307 L308 F321 | N304-D306 VanDerWaalsContact C-OD1 3.29Å; N304-D306 WeakPolarHBondContact CA-OD1 3.45Å; N304-D306 PolarHBondContact O-N 2.98Å; N304-K307 CarbonylContact O-C 3.58Å; N304-K307 PolarHBondContact O-N 3.19Å; N304-L308 PolarHBondContact O-N 3.38Å; N304-F321 HydrophobicContact CB-CE1 4.1Å; N304-F321 HydrophobicContact CB-CZ 4.28Å; N304-F321 WeakPolarHBondContact ND2-CE1 3.45Å; N304-F321 WeakPolarHBondContact ND2-CZ 3.11Å | ||
| 305 | E | 71.4 | Confident | 78.7 | Confident | 140 Ų | 140 | 71 Ų | 71 | 65% | 0.654 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -52.5 | -34.8 | 176.9 | -63.8 | 170.6 | -155.9 | 0 | 0 | 112.3 | K307 L308 | E305-K307 PolarHBondContact O-N 2.88Å; E305-K307 VanDerWaalsContact O-N 3.11Å; E305-L308 PolarHBondContact O-N 3.1Å; E305-L308 VanDerWaalsContact O-N 3.14Å |
| 306 | D | 77.2 | Confident | 78.9 | Confident | 119 Ų | 119 | 69.3 Ų | 69.3 | 64% | 0.636 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -61.1 | -16.1 | 175.4 | 66.2 | -56.9 | 0 | 0 | 0 | 114.2 | N304 | N304-D306 VanDerWaalsContact C-OD1 3.29Å; N304-D306 WeakPolarHBondContact CA-OD1 3.45Å; N304-D306 PolarHBondContact O-N 2.98Å |
| 307 | K | 77.9 | Confident | 79 | Confident | 82 Ų | 82 | 69.7 Ų | 69.7 | 36% | 0.357 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -125.3 | 19.1 | 177.9 | -54.5 | -157.3 | 175.3 | -144.6 | 0 | 112.6 | N304 E305 H319 T320 F321 | N304-K307 CarbonylContact O-C 3.58Å; N304-K307 PolarHBondContact O-N 3.19Å; E305-K307 PolarHBondContact O-N 2.88Å; E305-K307 VanDerWaalsContact O-N 3.11Å; K307-H319 CarbonylContact O-C 3.57Å; K307-H319 VanDerWaalsContact O-CA 3.22Å; K307-H319 WeakPolarHBondContact O-CA 3.42Å; K307-T320 HydrophobicContact CB-CG2 4.19Å; K307-T320 PolarHBondContact O-N 3.22Å; K307-F321 HydrophobicContact CB-CD1 4.17Å; K307-F321 HydrophobicContact CB-CE1 3.97Å; K307-F321 HydrophobicContact CD-CD1 4.03Å; K307-F321 HydrophobicContact CD-CE1 4.29Å |
| 308 | L | 82.7 | Confident | 79.3 | Confident | 38 Ų | 38 | 65.5 Ų | 65.5 | 20% | 0.199 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 106.3 | 176.9 | -161.1 | 74 | 0 | 0 | 0 | 110.1 | C296 N304 E305 Y318 | C296-L308 HydrophobicContact CB-CD1 3.97Å; N304-L308 PolarHBondContact O-N 3.38Å; E305-L308 PolarHBondContact O-N 3.1Å; E305-L308 VanDerWaalsContact O-N 3.14Å; L308-Y318 CarbonylContact C-O 3.53Å |
| 309 | L | 79.6 | Confident | 80 | Confident | 14 Ų | 14 | 60.3 Ų | 60.3 | 7% | 0.073 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 142.4 | 169.4 | -81 | 162.8 | 0 | 0 | 0 | 110.5 | S317 Y318 T320 L323 L327 V330 W335 | L309-S317 CarbonylContact O-C 3.57Å; L309-S317 VanDerWaalsContact O-CA 3.29Å; L309-S317 WeakPolarHBondContact O-CA 3.18Å; L309-Y318 PolarHBondContact N-O 3.28Å; L309-Y318 PolarHBondContact O-N 2.99Å; L309-T320 HydrophobicContact CD1-CG2 3.87Å; L309-T320 HydrophobicContact CG-CG2 4.13Å; L309-L323 HydrophobicContact CD1-CD1 3.6Å; L309-L327 HydrophobicContact CD1-CD1 3.66Å; L309-V330 HydrophobicContact CD2-CG1 4Å; L309-W335 HydrophobicContact CB-CE3 3.87Å; L309-W335 HydrophobicContact CB-CZ3 3.86Å; L309-W335 HydrophobicContact CD1-CD2 4.19Å; L309-W335 HydrophobicContact CD1-CE3 4.36Å; L309-W335 HydrophobicContact CD2-CD2 4.43Å; L309-W335 HydrophobicContact CD2-CE3 4.29Å; L309-W335 HydrophobicContact CG-CE3 4.42Å |
| 310 | L | 84 | Confident | 79.8 | Confident | 68 Ų | 68 | 58 Ų | 58 | 36% | 0.356 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 140.7 | 165.5 | -63.9 | 174 | 0 | 0 | 0 | 108.5 | Y294 D312 | Y294-L310 HydrophobicContact CD1-CD2 3.41Å; Y294-L310 VanDerWaalsContact CD1-CD2 3.41Å; Y294-L310 HydrophobicContact CE1-CD1 4.36Å; Y294-L310 HydrophobicContact CE1-CD2 3.63Å; Y294-L310 HydrophobicContact CG-CD2 4.15Å; L310-D312 PolarHBondContact O-N 3.4Å |
| 311 | C | 84.3 | Confident | 80.2 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | trans | -76.6 | 113.6 | 172.7 | -179.7 | 0 | 0 | 0 | 0 | 110.4 | G313 C314 D315 D316 W335 C337 C340 | C311-G313 PolarHBondContact O-N 3.32Å; C311-G313 PolarHBondContact SG-N 3.19Å; C311-C314 PolarHBondContact O-N 3.12Å; C311-C314 VanDerWaalsContact O-N 3.1Å; C311-D315 WeakPolarHBondContact O-CA 3.11Å; C311-D315 PolarHBondContact O-N 2.73Å; C311-D316 PolarHBondContact N-O 3.28Å; C311-W335 HydrophobicContact CB-CZ3 4.17Å; C311-C337 HydrophobicContact CB-CB 3.91Å; C311-C337 PolarHBondContact SG-N 2.57Å; C311-C337 VanDerWaalsContact SG-SG 3.62Å; C311-C340 VanDerWaalsContact SG-SG 3.64Å | ||
| 312 | D | 82 | Confident | 80.2 | Confident | 91 Ų | 91 | 52.6 Ų | 52.6 | 49% | 0.487 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 4.6 | 177.1 | -63.1 | -50.1 | 0 | 0 | 0 | 114 | L310 D334 W335 | L310-D312 PolarHBondContact O-N 3.4Å; D312-D334 WeakPolarHBondContact OD2-CA 3.45Å; D312-W335 WeakPolarHBondContact CB-O 3.45Å; D312-W335 PolarHBondContact N-O 3.03Å; D312-W335 PolarHBondContact OD2-N 3.34Å |
| 313 | G | 75 | Confident | 80.2 | Confident | 48 Ų | 48 | 51.2 Ų | 51.2 | 50% | 0.495 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | -18.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | C311 | C311-G313 PolarHBondContact O-N 3.32Å; C311-G313 PolarHBondContact SG-N 3.19Å |
| 314 | C | 84.5 | Confident | 79.2 | Confident | 53 Ų | 53 | 50.1 Ų | 50.1 | 36% | 0.358 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -151.2 | 6.9 | -177.2 | 69.7 | 0 | 0 | 0 | 0 | 115.8 | C311 D316 | C311-C314 PolarHBondContact O-N 3.12Å; C311-C314 VanDerWaalsContact O-N 3.1Å; C314-D316 PolarHBondContact O-N 3.16Å |
| 315 | D | 82.7 | Confident | 78.5 | Confident | 111 Ų | 111 | 49.6 Ų | 49.6 | 59% | 0.594 | 27% | 0.271 | S | S | * | . | trans | 57.8 | 0.9 | -176.3 | -59.6 | -35.5 | 0 | 0 | 0 | 116.4 | C311 S317 | C311-D315 WeakPolarHBondContact O-CA 3.11Å; C311-D315 PolarHBondContact O-N 2.73Å; D315-S317 PolarHBondContact O-N 2.66Å | ||
| 316 | D | 83.9 | Confident | 78.3 | Confident | 33 Ų | 33 | 46.7 Ų | 46.7 | 18% | 0.176 | 27% | 0.265 | C | S | . | . | trans | -56.9 | 130.4 | 172.7 | -85.3 | -23.6 | 0 | 0 | 0 | 110.4 | M297 C311 C314 Y318 K339 | M297-D316 HydrophobicContact CG-CB 4.05Å; C311-D316 PolarHBondContact N-O 3.28Å; C314-D316 PolarHBondContact O-N 3.16Å; D316-Y318 HydrophobicContact CB-CD2 4.36Å; D316-Y318 HydrophobicContact CB-CE2 3.54Å; D316-Y318 WeakPolarHBondContact O-CD2 3.39Å; D316-K339 IonicContact OD2-NZ 3.34Å; D316-K339 PolarHBondContact OD2-NZ 3.05Å | ||
| 317 | S | 85.8 | Confident | 77.9 | Confident | 7 Ų | 7 | 42.1 Ų | 42.1 | 5% | 0.049 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 143.2 | 179.9 | 11.8 | 0 | 0 | 0 | 0 | 112.5 | V295 C296 M297 L309 D315 | V295-S317 PolarHBondContact N-OG 2.85Å; V295-S317 PolarHBondContact O-OG 2.96Å; V295-S317 VanDerWaalsContact O-OG 3.13Å; C296-S317 CarbonylContact C-O 3.37Å; C296-S317 WeakPolarHBondContact CA-O 3.43Å; M297-S317 WeakPolarHBondContact CG-O 3.47Å; M297-S317 PolarHBondContact N-O 2.68Å; L309-S317 CarbonylContact O-C 3.57Å; L309-S317 VanDerWaalsContact O-CA 3.29Å; L309-S317 WeakPolarHBondContact O-CA 3.18Å; D315-S317 PolarHBondContact O-N 2.66Å |
| 318 | Y | 84.4 | Confident | 77.4 | Confident | 11 Ų | 11 | 43.1 Ų | 43.1 | 4% | 0.043 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 144.1 | 178.5 | -66.6 | -94.7 | 0 | 0 | 0 | 110.8 | M297 F298 L308 L309 D316 L323 W335 C337 | M297-Y318 HydrophobicContact CB-CD1 4.4Å; M297-Y318 HydrophobicContact CB-CE1 3.89Å; M297-Y318 HydrophobicContact CB-CE2 4.4Å; F298-Y318 HydrophobicContact CB-CD1 4.43Å; F298-Y318 HydrophobicContact CD2-CD1 4.29Å; F298-Y318 HydrophobicContact CD2-CE1 4.25Å; L308-Y318 CarbonylContact C-O 3.53Å; L309-Y318 PolarHBondContact N-O 3.28Å; L309-Y318 PolarHBondContact O-N 2.99Å; D316-Y318 HydrophobicContact CB-CD2 4.36Å; D316-Y318 HydrophobicContact CB-CE2 3.54Å; D316-Y318 WeakPolarHBondContact O-CD2 3.39Å; Y318-L323 HydrophobicContact CD1-CD2 3.84Å; Y318-L323 HydrophobicContact CG-CD2 3.89Å; Y318-W335 AromaticContact CD2-CH2 3.71Å; Y318-W335 HydrophobicContact CD2-CH2 3.71Å; Y318-W335 HydrophobicContact CD2-CZ3 4.08Å; Y318-W335 HydrophobicContact CE2-CH2 4.42Å; Y318-W335 HydrophobicContact CG-CH2 4.02Å; Y318-C337 HydrophobicContact CD2-CB 3.78Å; Y318-C337 HydrophobicContact CE2-CB 3.16Å |
| 319 | H | 86.9 | Confident | 76.8 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 142.2 | 168.9 | -64.9 | 124 | 0 | 0 | 0 | 111.3 | C296 C299 R301 N303 K307 F321 C322 L323 | C296-H319 WeakPolarHBondContact CB-CE1 3.48Å; C296-H319 VanDerWaalsContact CB-ND1 3.28Å; C296-H319 WeakPolarHBondContact CB-ND1 3.49Å; C296-H319 PolarHBondContact SG-N 3.04Å; C296-H319 PolarHBondContact SG-ND1 2.89Å; C299-H319 VanDerWaalsContact SG-CE1 3.58Å; C299-H319 PolarHBondContact SG-ND1 3.25Å; C299-H319 VanDerWaalsContact SG-ND1 3.45Å; R301-H319 PolarHBondContact O-CE1 2.69Å; N303-H319 PolarHBondContact O-NE2 3.45Å; K307-H319 CarbonylContact O-C 3.57Å; K307-H319 VanDerWaalsContact O-CA 3.22Å; K307-H319 WeakPolarHBondContact O-CA 3.42Å; H319-F321 HydrophobicContact CB-CD1 3.9Å; H319-F321 HydrophobicContact CB-CD2 3.97Å; H319-F321 HydrophobicContact CB-CE1 3.6Å; H319-F321 HydrophobicContact CB-CE2 3.66Å; H319-F321 HydrophobicContact CB-CG 4.08Å; H319-F321 HydrophobicContact CB-CZ 3.47Å; H319-F321 VanDerWaalsContact CB-CZ 3.47Å; H319-F321 AromaticContact CD2-CE1 3.92Å; H319-F321 AromaticContact CD2-CZ 3.67Å; H319-F321 AromaticContact CG-CE1 3.74Å; H319-F321 AromaticContact CG-CE2 3.73Å; H319-F321 AromaticContact CG-CZ 3.27Å; H319-F321 AromaticContact ND1-CE2 3.72Å; H319-F321 AromaticContact ND1-CZ 3.55Å; H319-F321 PolarHBondContact O-N 2.76Å; H319-F321 VanDerWaalsContact O-N 3.13Å; H319-C322 HydrophobicContact CB-CB 3.83Å; H319-C322 PolarHBondContact O-N 3.02Å; H319-L323 WeakPolarHBondContact O-CG 3.43Å; H319-L323 PolarHBondContact O-N 3.17Å |
| 320 | T | 81.1 | Confident | 76.5 | Confident | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.018 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -51.8 | -39.8 | 173.3 | 75.4 | 0 | 0 | 0 | 0 | 111.5 | K307 L309 L327 V330 | K307-T320 HydrophobicContact CB-CG2 4.19Å; K307-T320 PolarHBondContact O-N 3.22Å; L309-T320 HydrophobicContact CD1-CG2 3.87Å; L309-T320 HydrophobicContact CG-CG2 4.13Å; T320-L327 WeakPolarHBondContact CB-O 3.3Å; T320-L327 PolarHBondContact O-N 2.89Å; T320-L327 PolarHBondContact OG1-O 2.73Å; T320-V330 HydrophobicContact CG2-CG2 4.29Å |
| 321 | F | 83.4 | Confident | 75.7 | Confident | 88 Ų | 88 | 49 Ų | 49 | 39% | 0.386 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -83.4 | -5.8 | 178.4 | 60.2 | -97.4 | 0 | 0 | 0 | 115.2 | N304 K307 H319 | N304-F321 HydrophobicContact CB-CE1 4.1Å; N304-F321 HydrophobicContact CB-CZ 4.28Å; N304-F321 WeakPolarHBondContact ND2-CE1 3.45Å; N304-F321 WeakPolarHBondContact ND2-CZ 3.11Å; K307-F321 HydrophobicContact CB-CD1 4.17Å; K307-F321 HydrophobicContact CB-CE1 3.97Å; K307-F321 HydrophobicContact CD-CD1 4.03Å; K307-F321 HydrophobicContact CD-CE1 4.29Å; H319-F321 HydrophobicContact CB-CD1 3.9Å; H319-F321 HydrophobicContact CB-CD2 3.97Å; H319-F321 HydrophobicContact CB-CE1 3.6Å; H319-F321 HydrophobicContact CB-CE2 3.66Å; H319-F321 HydrophobicContact CB-CG 4.08Å; H319-F321 HydrophobicContact CB-CZ 3.47Å; H319-F321 VanDerWaalsContact CB-CZ 3.47Å; H319-F321 AromaticContact CD2-CE1 3.92Å; H319-F321 AromaticContact CD2-CZ 3.67Å; H319-F321 AromaticContact CG-CE1 3.74Å; H319-F321 AromaticContact CG-CE2 3.73Å; H319-F321 AromaticContact CG-CZ 3.27Å; H319-F321 AromaticContact ND1-CE2 3.72Å; H319-F321 AromaticContact ND1-CZ 3.55Å; H319-F321 PolarHBondContact O-N 2.76Å; H319-F321 VanDerWaalsContact O-N 3.13Å |
| 322 | C | 77.7 | Confident | 74.9 | Confident | 23 Ų | 23 | 59.1 Ų | 59.1 | 16% | 0.155 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -99.8 | -3.9 | 170.9 | -72.5 | 0 | 0 | 0 | 0 | 113 | F298 H319 | F298-C322 HydrophobicContact CB-CB 3.85Å; F298-C322 WeakPolarHBondContact CD2-O 3.31Å; F298-C322 HydrophobicContact CG-CB 4.4Å; F298-C322 WeakPolarHBondContact CG-O 3.48Å; H319-C322 HydrophobicContact CB-CB 3.83Å; H319-C322 PolarHBondContact O-N 3.02Å |
| 323 | L | 69.7 | Low | 74.2 | Confident | 7 Ų | 7 | 57.7 Ų | 57.7 | 4% | 0.037 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -80.5 | 163.4 | 171.3 | -67.1 | 168.5 | 0 | 0 | 0 | 110.8 | L309 Y318 H319 P325 P326 L327 W335 | L309-L323 HydrophobicContact CD1-CD1 3.6Å; Y318-L323 HydrophobicContact CD1-CD2 3.84Å; Y318-L323 HydrophobicContact CG-CD2 3.89Å; H319-L323 WeakPolarHBondContact O-CG 3.43Å; H319-L323 PolarHBondContact O-N 3.17Å; L323-P325 CarbonylContact C-O 3.57Å; L323-P325 CarbonylContact O-C 3.53Å; L323-P326 VanDerWaalsContact O-CA 3.26Å; L323-P326 WeakPolarHBondContact O-CA 3.45Å; L323-P326 WeakPolarHBondContact O-CG 3.37Å; L323-P326 VanDerWaalsContact O-N 3.11Å; L323-L327 HydrophobicContact CD1-CD1 3.69Å; L323-L327 HydrophobicContact CD1-CG 4.36Å; L323-W335 HydrophobicContact CD1-CH2 3.77Å; L323-W335 HydrophobicContact CD1-CZ2 3.28Å; L323-W335 HydrophobicContact CD2-CH2 3.76Å; L323-W335 HydrophobicContact CD2-CZ2 3.52Å; L323-W335 HydrophobicContact CG-CH2 4.39Å; L323-W335 HydrophobicContact CG-CZ2 4.03Å |
| 324 | L | 55.1 | Low | 74 | Confident | 44 Ų | 44 | 61 Ų | 61 | 23% | 0.23 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -135.6 | 108 | -178 | -66.3 | 171.7 | 0 | 0 | 0 | 108.1 | L178 M179 F298 | L178-L324 HydrophobicContact CB-CB 3.67Å; L178-L324 HydrophobicContact CB-CD1 3.93Å; L178-L324 HydrophobicContact CB-CG 4.34Å; L178-L324 HydrophobicContact CD1-CB 4.28Å; M179-L324 HydrophobicContact CG-CD1 4.32Å; F298-L324 HydrophobicContact CZ-CD1 3.94Å |
| 325 | P | 59.8 | Low | 73.7 | Confident | 61 Ų | 61 | 58.8 Ų | 58.8 | 40% | 0.396 | 33% | 0.333 | S | S | . | . | S | Bend | cis | -63 | 148.9 | -1.3 | 28.8 | -35.9 | 0 | 0 | 0 | 113 | L323 L327 | L323-P325 CarbonylContact C-O 3.57Å; L323-P325 CarbonylContact O-C 3.53Å; P325-L327 PolarHBondContact O-N 3.31Å |
| 326 | P | 66.1 | Low | 73.4 | Confident | 80 Ų | 80 | 55.7 Ų | 55.7 | 52% | 0.519 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 125.7 | 172.4 | -23.3 | 34.4 | 0 | 0 | 0 | 110.7 | L323 | L323-P326 VanDerWaalsContact O-CA 3.26Å; L323-P326 WeakPolarHBondContact O-CA 3.45Å; L323-P326 WeakPolarHBondContact O-CG 3.37Å; L323-P326 VanDerWaalsContact O-N 3.11Å |
| 327 | L | 68.9 | Low | 73.1 | Confident | 23 Ų | 23 | 54.1 Ų | 54.1 | 12% | 0.12 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -81.8 | 124.2 | 177.8 | -65 | 174 | 0 | 0 | 0 | 109.3 | L309 T320 L323 P325 P331 | L309-L327 HydrophobicContact CD1-CD1 3.66Å; T320-L327 WeakPolarHBondContact CB-O 3.3Å; T320-L327 PolarHBondContact O-N 2.89Å; T320-L327 PolarHBondContact OG1-O 2.73Å; L323-L327 HydrophobicContact CD1-CD1 3.69Å; L323-L327 HydrophobicContact CD1-CG 4.36Å; P325-L327 PolarHBondContact O-N 3.31Å; L327-P331 HydrophobicContact CD1-CG 3.66Å |
| 328 | P | 68.4 | Low | 72.3 | Confident | 103 Ų | 103 | 56.4 Ų | 56.4 | 67% | 0.669 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -69.4 | -40 | -178.7 | 26.6 | -32.8 | 0 | 0 | 0 | 111.6 | ||
| 329 | D | 70 | Confident | 71.7 | Confident | 127 Ų | 127 | 61.1 Ų | 61.1 | 68% | 0.679 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -126.5 | 166.1 | 178.4 | -67.3 | -59.7 | 0 | 0 | 0 | 110.3 | ||
| 330 | V | 72.7 | Confident | 71.3 | Confident | 84 Ų | 84 | 61.4 Ų | 61.4 | 51% | 0.509 | 34% | 0.342 | S | S | . | . | trans | -65.3 | 126.8 | 169.2 | 175.2 | 0 | 0 | 0 | 0 | 109.4 | L309 T320 | L309-V330 HydrophobicContact CD2-CG1 4Å; T320-V330 HydrophobicContact CG2-CG2 4.29Å | ||
| 331 | P | 68.1 | Low | 70.7 | Confident | 31 Ų | 31 | 61.3 Ų | 61.3 | 20% | 0.201 | 34% | 0.341 | C | S | . | . | trans | -58.5 | 160.3 | 177.4 | -27.3 | 37.5 | 0 | 0 | 0 | 113.9 | L327 W335 | L327-P331 HydrophobicContact CD1-CG 3.66Å; P331-W335 HydrophobicContact CG-CG 4.38Å | ||
| 332 | K | 66 | Low | 70 | Confident | 213 Ų | 213 | 58.5 Ų | 58.5 | 93% | 0.926 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -109.6 | 98.7 | 178.7 | -69.1 | 179 | -177.6 | 171.3 | 0 | 110.1 | ||
| 333 | G | 68 | Low | 69.7 | Low | 61 Ų | 61 | 63.7 Ų | 63.7 | 63% | 0.629 | 36% | 0.356 | S | S | * | . | S | Bend | trans | 124.3 | -176.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | W335 | G333-W335 PolarHBondContact O-N 2.8Š|
| 334 | D | 71.2 | Confident | 69.6 | Low | 117 Ų | 117 | 67.2 Ų | 67.2 | 63% | 0.626 | 37% | 0.373 | S | S | * | . | trans | -49 | 129.8 | 172.4 | -85.2 | 61.2 | 0 | 0 | 0 | 112.5 | D312 R336 | D312-D334 WeakPolarHBondContact OD2-CA 3.45Å; D334-R336 VanDerWaalsContact CB-NH1 3.34Å; D334-R336 IonicContact OD2-CZ 2.65Å; D334-R336 IonicContact OD2-NH1 3.02Å; D334-R336 PolarHBondContact OD2-NH1 2.77Å; D334-R336 IonicContact OD2-NH2 3.95Å; D334-R336 PolarHBondContact OD2-NH2 2.83Å | ||
| 335 | W | 78.5 | Confident | 69.9 | Low | 8 Ų | 8 | 66.1 Ų | 66.1 | 3% | 0.03 | 37% | 0.368 | C | S | . | . | trans | -122.5 | 139.9 | 170.1 | -179.4 | 74.5 | 0 | 0 | 0 | 111.6 | L309 C311 D312 Y318 L323 P331 G333 C337 | L309-W335 HydrophobicContact CB-CE3 3.87Å; L309-W335 HydrophobicContact CB-CZ3 3.86Å; L309-W335 HydrophobicContact CD1-CD2 4.19Å; L309-W335 HydrophobicContact CD1-CE3 4.36Å; L309-W335 HydrophobicContact CD2-CD2 4.43Å; L309-W335 HydrophobicContact CD2-CE3 4.29Å; L309-W335 HydrophobicContact CG-CE3 4.42Å; C311-W335 HydrophobicContact CB-CZ3 4.17Å; D312-W335 WeakPolarHBondContact CB-O 3.45Å; D312-W335 PolarHBondContact N-O 3.03Å; D312-W335 PolarHBondContact OD2-N 3.34Å; Y318-W335 AromaticContact CD2-CH2 3.71Å; Y318-W335 HydrophobicContact CD2-CH2 3.71Å; Y318-W335 HydrophobicContact CD2-CZ3 4.08Å; Y318-W335 HydrophobicContact CE2-CH2 4.42Å; Y318-W335 HydrophobicContact CG-CH2 4.02Å; L323-W335 HydrophobicContact CD1-CH2 3.77Å; L323-W335 HydrophobicContact CD1-CZ2 3.28Å; L323-W335 HydrophobicContact CD2-CH2 3.76Å; L323-W335 HydrophobicContact CD2-CZ2 3.52Å; L323-W335 HydrophobicContact CG-CH2 4.39Å; L323-W335 HydrophobicContact CG-CZ2 4.03Å; P331-W335 HydrophobicContact CG-CG 4.38Å; G333-W335 PolarHBondContact O-N 2.8Å; W335-C337 VanDerWaalsContact CH2-CA 3.48Å; W335-C337 HydrophobicContact CH2-CB 3.63Å; W335-C337 HydrophobicContact CZ2-CB 4.27Å; W335-C337 HydrophobicContact CZ3-CB 4.19Å | ||
| 336 | R | 76.4 | Confident | 70.1 | Confident | 46 Ų | 46 | 69.1 Ų | 69.1 | 17% | 0.174 | 38% | 0.381 | C | S | . | . | trans | -126.1 | 139.2 | 179.8 | -61.2 | -63.1 | -169.4 | -75.7 | -0.7 | 109.8 | L100 D334 C340 V341 | L100-R336 HydrophobicContact CD2-CB 4.18Å; L100-R336 HydrophobicContact CD2-CG 3.91Å; D334-R336 VanDerWaalsContact CB-NH1 3.34Å; D334-R336 IonicContact OD2-CZ 2.65Å; D334-R336 IonicContact OD2-NH1 3.02Å; D334-R336 PolarHBondContact OD2-NH1 2.77Å; D334-R336 IonicContact OD2-NH2 3.95Å; D334-R336 PolarHBondContact OD2-NH2 2.83Å; R336-C340 HydrophobicContact CB-CB 4.06Å; R336-V341 HydrophobicContact CB-CG2 3.84Å; R336-V341 WeakPolarHBondContact O-CG2 3.43Å | ||
| 337 | C | 77.3 | Confident | 69.6 | Low | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 38% | 0.379 | C | S | . | . | trans | -72.6 | 160.8 | 176.8 | 75.6 | 0 | 0 | 0 | 0 | 112 | C311 Y318 W335 K339 C340 V341 | C311-C337 HydrophobicContact CB-CB 3.91Å; C311-C337 PolarHBondContact SG-N 2.57Å; C311-C337 VanDerWaalsContact SG-SG 3.62Å; Y318-C337 HydrophobicContact CD2-CB 3.78Å; Y318-C337 HydrophobicContact CE2-CB 3.16Å; W335-C337 VanDerWaalsContact CH2-CA 3.48Å; W335-C337 HydrophobicContact CH2-CB 3.63Å; W335-C337 HydrophobicContact CZ2-CB 4.27Å; W335-C337 HydrophobicContact CZ3-CB 4.19Å; C337-K339 CarbonylContact O-C 3.43Å; C337-K339 PolarHBondContact O-N 3.07Å; C337-C340 CarbonylContact O-C 3.54Å; C337-C340 PolarHBondContact O-N 2.97Å; C337-V341 WeakPolarHBondContact O-CG2 3.45Å; C337-V341 PolarHBondContact O-N 3.44Å | ||
| 338 | P | 68.9 | Low | 68.5 | Low | 54 Ų | 54 | 75.4 Ų | 75.4 | 35% | 0.351 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -53.2 | -27.4 | -177.1 | -30 | 36.7 | 0 | 0 | 0 | 115.6 | A342 | P338-A342 WeakPolarHBondContact O-CB 3.23Å; P338-A342 PolarHBondContact O-N 2.79Å |
| 339 | K | 71.3 | Confident | 67.7 | Low | 110 Ų | 110 | 74.9 Ų | 74.9 | 48% | 0.478 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.1 | -57.4 | 170.8 | -58.6 | 176.3 | -170.8 | 162.8 | 0 | 111 | D316 C337 V341 A342 E343 | D316-K339 IonicContact OD2-NZ 3.34Å; D316-K339 PolarHBondContact OD2-NZ 3.05Å; C337-K339 CarbonylContact O-C 3.43Å; C337-K339 PolarHBondContact O-N 3.07Å; K339-V341 VanDerWaalsContact C-N 3.26Å; K339-V341 PolarHBondContact O-N 3.26Å; K339-A342 PolarHBondContact O-N 3.39Å; K339-A342 VanDerWaalsContact O-N 3.14Å; K339-E343 WeakPolarHBondContact O-CB 3.49Å; K339-E343 PolarHBondContact O-N 3.11Å |
| 340 | C | 78 | Confident | 66.6 | Low | 7 Ų | 7 | 77.9 Ų | 77.9 | 5% | 0.047 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -66.7 | -27.3 | -179.6 | -65.5 | 0 | 0 | 0 | 0 | 112.4 | C311 R336 C337 E343 E344 | C311-C340 VanDerWaalsContact SG-SG 3.64Å; R336-C340 HydrophobicContact CB-CB 4.06Å; C337-C340 CarbonylContact O-C 3.54Å; C337-C340 PolarHBondContact O-N 2.97Å; C340-E343 PolarHBondContact O-N 2.8Å; C340-E344 WeakPolarHBondContact O-CB 3.25Å; C340-E344 PolarHBondContact O-N 3.03Å |
| 341 | V | 70.2 | Confident | 65.2 | Low | 1 Ų | 1 | 77.9 Ų | 77.9 | 1% | 0.006 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -66.4 | -46.2 | 170 | 175.8 | 0 | 0 | 0 | 0 | 111 | L100 F172 R336 C337 K339 E343 C345 | L100-V341 HydrophobicContact CB-CB 4.5Å; L100-V341 HydrophobicContact CB-CG1 4.01Å; L100-V341 HydrophobicContact CB-CG2 3.77Å; L100-V341 HydrophobicContact CD1-CB 4.4Å; L100-V341 HydrophobicContact CD1-CG1 3.95Å; L100-V341 HydrophobicContact CD1-CG2 4.31Å; L100-V341 HydrophobicContact CG-CG2 4.45Å; F172-V341 HydrophobicContact CE2-CG1 4.24Å; F172-V341 HydrophobicContact CZ-CG1 4.41Å; R336-V341 HydrophobicContact CB-CG2 3.84Å; R336-V341 WeakPolarHBondContact O-CG2 3.43Å; C337-V341 WeakPolarHBondContact O-CG2 3.45Å; C337-V341 PolarHBondContact O-N 3.44Å; K339-V341 VanDerWaalsContact C-N 3.26Å; K339-V341 PolarHBondContact O-N 3.26Å; V341-E343 VanDerWaalsContact C-N 3.33Å; V341-C345 VanDerWaalsContact O-CB 3.23Å; V341-C345 WeakPolarHBondContact O-CB 3.48Å; V341-C345 PolarHBondContact O-N 3.1Å; V341-C345 PolarHBondContact O-SG 2.77Å |
| 342 | A | 68.4 | Low | 64.5 | Low | 29 Ų | 29 | 78.9 Ų | 78.9 | 24% | 0.24 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F172 P338 K339 N346 | F172-A342 HydrophobicContact CE2-CB 4.3Å; F172-A342 HydrophobicContact CZ-CB 4.45Å; P338-A342 WeakPolarHBondContact O-CB 3.23Å; P338-A342 PolarHBondContact O-N 2.79Å; K339-A342 PolarHBondContact O-N 3.39Å; K339-A342 VanDerWaalsContact O-N 3.14Å; A342-N346 WeakPolarHBondContact O-CB 3.41Å; A342-N346 PolarHBondContact O-N 2.73Å; A342-N346 PolarHBondContact O-ND2 3.04Å |
| 343 | E | 70.1 | Confident | 63.7 | Low | 131 Ų | 131 | 71.3 Ų | 71.3 | 61% | 0.612 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -66.2 | -42.9 | 179.2 | -163.3 | 164.4 | -140.9 | 0 | 0 | 112.2 | K339 C340 V341 N346 K347 | K339-E343 WeakPolarHBondContact O-CB 3.49Å; K339-E343 PolarHBondContact O-N 3.11Å; C340-E343 PolarHBondContact O-N 2.8Å; V341-E343 VanDerWaalsContact C-N 3.33Å; E343-N346 PolarHBondContact O-N 2.79Å; E343-K347 WeakPolarHBondContact O-CG 3.49Å; E343-K347 PolarHBondContact O-N 3.12Å; E343-K347 VanDerWaalsContact O-N 3.13Å |
| 344 | E | 68.2 | Low | 63.4 | Low | 82 Ų | 82 | 71 Ų | 71 | 38% | 0.383 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -70 | -44.1 | 176.5 | -162 | 70.8 | -132.9 | 0 | 0 | 111.9 | L100 C340 N346 K347 | L100-E344 HydrophobicContact CD1-CB 4.41Å; C340-E344 WeakPolarHBondContact O-CB 3.25Å; C340-E344 PolarHBondContact O-N 3.03Å; E344-N346 VanDerWaalsContact C-N 3.27Å; E344-N346 PolarHBondContact O-N 3.17Å; E344-K347 PolarHBondContact O-N 3.18Å; E344-K347 WeakPolarHBondContact OE1-CD 3.41Å; E344-K347 WeakPolarHBondContact OE1-CE 3.2Å; E344-K347 IonicContact OE1-NZ 3.08Å; E344-K347 PolarHBondContact OE1-NZ 3.42Å; E344-K347 WeakPolarHBondContact OE2-CE 3.39Å; E344-K347 IonicContact OE2-NZ 2.69Å; E344-K347 PolarHBondContact OE2-NZ 2.82Å |
| 345 | C | 62.2 | Low | 62.9 | Low | 20 Ų | 20 | 70.8 Ų | 70.8 | 14% | 0.135 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.3 | -27.8 | 175.5 | -72.3 | 0 | 0 | 0 | 0 | 113 | F172 V341 | F172-C345 HydrophobicContact CZ-CB 4.48Å; V341-C345 VanDerWaalsContact O-CB 3.23Å; V341-C345 WeakPolarHBondContact O-CB 3.48Å; V341-C345 PolarHBondContact O-N 3.1Å; V341-C345 PolarHBondContact O-SG 2.77Å |
| 346 | N | 62.8 | Low | 62.2 | Low | 124 Ų | 124 | 77.3 Ų | 77.3 | 66% | 0.663 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 5.1 | 177 | -65.7 | -27.8 | 0 | 0 | 0 | 113.8 | A342 E343 E344 | A342-N346 WeakPolarHBondContact O-CB 3.41Å; A342-N346 PolarHBondContact O-N 2.73Å; A342-N346 PolarHBondContact O-ND2 3.04Å; E343-N346 PolarHBondContact O-N 2.79Å; E344-N346 VanDerWaalsContact C-N 3.27Å; E344-N346 PolarHBondContact O-N 3.17Å |
| 347 | K | 55.8 | Low | 62 | Low | 109 Ų | 109 | 75.7 Ų | 75.7 | 47% | 0.474 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -60.8 | 133.6 | 172.9 | -81.9 | -178.9 | -170.9 | 169.1 | 0 | 109.8 | E343 E344 R349 | E343-K347 WeakPolarHBondContact O-CG 3.49Å; E343-K347 PolarHBondContact O-N 3.12Å; E343-K347 VanDerWaalsContact O-N 3.13Å; E344-K347 PolarHBondContact O-N 3.18Å; E344-K347 WeakPolarHBondContact OE1-CD 3.41Å; E344-K347 WeakPolarHBondContact OE1-CE 3.2Å; E344-K347 IonicContact OE1-NZ 3.08Å; E344-K347 PolarHBondContact OE1-NZ 3.42Å; E344-K347 WeakPolarHBondContact OE2-CE 3.39Å; E344-K347 IonicContact OE2-NZ 2.69Å; E344-K347 PolarHBondContact OE2-NZ 2.82Å; K347-R349 PolarHBondContact O-N 2.77Å |
| 348 | P | 47 | Very low | 61.8 | Low | 126 Ų | 126 | 84.4 Ų | 84.4 | 82% | 0.818 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -53.5 | 126.9 | 167 | -24.6 | 34.5 | 0 | 0 | 0 | 109.7 | ||
| 349 | R | 50.2 | Low | 62.3 | Low | 92 Ų | 92 | 88.6 Ų | 88.6 | 35% | 0.347 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 156.2 | 177.2 | -64.2 | 175.5 | -177.1 | -114 | -24.8 | 109.7 | D89 D92 K347 | D89-R349 IonicContact OD1-CZ 3.2Å; D89-R349 IonicContact OD1-NE 2.81Å; D89-R349 IonicContact OD1-NH1 2.72Å; D89-R349 PolarHBondContact OD1-NH1 2.78Å; D92-R349 IonicContact OD2-CZ 3.05Å; D92-R349 IonicContact OD2-NH1 2.74Å; D92-R349 PolarHBondContact OD2-NH1 2.67Å; D92-R349 IonicContact OD2-NH2 3.66Å; D92-R349 PolarHBondContact OD2-NH2 3.13Å; K347-R349 PolarHBondContact O-N 2.77Å |
| 350 | E | 46.9 | Very low | 63 | Low | 191 Ų | 191 | 88.1 Ų | 88.1 | 89% | 0.893 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -56.8 | 143.7 | 170.9 | -64.6 | -178 | 132.1 | 0 | 0 | 109.8 | F352 | E350-F352 PolarHBondContact O-N 3.18Š|
| 351 | A | 43.9 | Very low | 63.5 | Low | 84 Ų | 84 | 88.4 Ų | 88.4 | 69% | 0.694 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 136.9 | -164.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G353 | A351-G353 PolarHBondContact O-N 3.16Š|
| 352 | F | 52.7 | Low | 64.5 | Low | 52 Ų | 52 | 89.9 Ų | 89.9 | 23% | 0.228 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 129.9 | 179.8 | -57 | -72.6 | 0 | 0 | 0 | 111.3 | E350 Q529 L532 V537 | E350-F352 PolarHBondContact O-N 3.18Å; F352-Q529 HydrophobicContact CE2-CG 4.36Å; F352-L532 HydrophobicContact CD2-CD1 4.25Å; F352-V537 HydrophobicContact CB-CB 4.38Å; F352-V537 HydrophobicContact CB-CG1 3.99Å; F352-V537 HydrophobicContact CB-CG2 4.09Å |
| 353 | G | 50.7 | Low | 65.6 | Low | 54 Ų | 54 | 88.5 Ų | 88.5 | 56% | 0.557 | 45% | 0.454 | S | S | * | . | trans | 170.5 | 163.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | A351 | A351-G353 PolarHBondContact O-N 3.16Š| ||
| 354 | F | 60 | Low | 66.7 | Low | 53 Ų | 53 | 86.1 Ų | 86.1 | 23% | 0.232 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -82.4 | 128.7 | -177.8 | -60 | -66.1 | 0 | 0 | 0 | 112 | R73 Q75 L80 Y409 | R73-F354 HydrophobicContact CB-CB 4.1Å; Q75-F354 HydrophobicContact CB-CD1 4.49Å; Q75-F354 HydrophobicContact CB-CE1 4.48Å; Q75-F354 HydrophobicContact CG-CD1 3.8Å; Q75-F354 HydrophobicContact CG-CE1 3.87Å; Q75-F354 HydrophobicContact CG-CG 4.44Å; L80-F354 HydrophobicContact CD2-CE1 3.59Å; L80-F354 HydrophobicContact CD2-CZ 3.98Å; F354-Y409 WeakPolarHBondContact CD2-OH 3.38Å; F354-Y409 HydrophobicContact CG-CE1 4.37Å |
| 355 | E | 62 | Low | 67.9 | Low | 113 Ų | 113 | 83.6 Ų | 83.6 | 53% | 0.528 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 134.8 | 174.8 | -66.7 | 175 | 155.9 | 0 | 0 | 110 | R73 V74 R76 | R73-E355 CarbonylContact C-O 3.31Å; R73-E355 WeakPolarHBondContact CA-O 3.34Å; V74-E355 PolarHBondContact N-O 3.31Å; R76-E355 IonicContact CZ-OE2 3.83Å; R76-E355 IonicContact NE-OE2 3.25Å; R76-E355 VanDerWaalsContact NH2-CD 3.3Å; R76-E355 IonicContact NH2-OE1 3.21Å; R76-E355 PolarHBondContact NH2-OE1 2.91Å; R76-E355 VanDerWaalsContact NH2-OE1 3.1Å; R76-E355 IonicContact NH2-OE2 2.8Å; R76-E355 PolarHBondContact NH2-OE2 3.12Å |
| 356 | Q | 64 | Low | 69.4 | Low | 145 Ų | 145 | 82.6 Ų | 82.6 | 68% | 0.678 | 43% | 0.428 | S | S | * | . | B | Isolated β-bridge | trans | -77.7 | 136 | 169.1 | -72.9 | -175.2 | -14.9 | 0 | 0 | 109.9 | R73 | R73-Q356 HydrophobicContact CG-CG 4.43Å |
| 357 | A | 72.6 | Confident | 70.9 | Confident | 12 Ų | 12 | 76.9 Ų | 76.9 | 10% | 0.099 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 144 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | T71 P72 V74 R359 | T71-A357 VanDerWaalsContact CG2-O 3.24Å; T71-A357 WeakPolarHBondContact CG2-O 3.27Å; P72-A357 HydrophobicContact CG-CB 3.88Å; P72-A357 VanDerWaalsContact O-CB 3.31Å; P72-A357 WeakPolarHBondContact O-CB 3.45Å; P72-A357 PolarHBondContact O-N 3.06Å; V74-A357 HydrophobicContact CG2-CB 4.06Å; A357-R359 PolarHBondContact O-N 3.19Å |
| 358 | I | 72.4 | Confident | 72.7 | Confident | 184 Ų | 184 | 76.7 Ų | 76.7 | 94% | 0.944 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -70.3 | -12.2 | 177.3 | -56.8 | 173.4 | 0 | 0 | 0 | 111.4 | ||
| 359 | R | 79.6 | Confident | 75 | Confident | 142 Ų | 142 | 72.8 Ų | 72.8 | 54% | 0.536 | 37% | 0.37 | S | S | . | . | trans | -112.3 | 122.7 | -170.7 | 179.3 | 177 | -180 | -159.8 | 2.3 | 111.7 | P72 A357 Y361 | P72-R359 WeakPolarHBondContact CD-O 3.4Å; A357-R359 PolarHBondContact O-N 3.19Å; R359-Y361 HydrophobicContact CB-CE2 4.2Å; R359-Y361 HydrophobicContact CG-CD2 4.1Å; R359-Y361 HydrophobicContact CG-CE2 3.89Å; R359-Y361 VanDerWaalsContact CZ-CE1 3.41Å; R359-Y361 VanDerWaalsContact NH1-CE1 3.27Å; R359-Y361 PolarHBondContact NH1-OH 3.17Å; R359-Y361 VanDerWaalsContact NH1-OH 3.1Å; R359-Y361 WeakPolarHBondContact O-CD2 2.98Å | ||
| 360 | E | 85.7 | Confident | 77.1 | Confident | 99 Ų | 99 | 68.4 Ų | 68.4 | 46% | 0.463 | 35% | 0.353 | S | S | . | . | trans | -70.8 | 139.9 | 163.2 | -173.8 | -169.7 | -120.2 | 0 | 0 | 110.4 | R69 | R69-E360 HydrophobicContact CB-CG 4.09Å; R69-E360 HydrophobicContact CG-CG 4.46Å; R69-E360 IonicContact CZ-OE2 2.58Å; R69-E360 IonicContact NE-OE2 3.02Å; R69-E360 IonicContact NH1-OE1 2.6Å; R69-E360 IonicContact NH1-OE2 3.97Å; R69-E360 PolarHBondContact NH1-OE2 3.12Å | ||
| 361 | Y | 87.9 | Confident | 79.5 | Confident | 14 Ų | 14 | 62.1 Ų | 62.1 | 6% | 0.055 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 151.5 | 173.1 | -74.5 | -96.8 | 0 | 0 | 0 | 110.8 | R69 F70 P72 R359 F366 M369 E408 | R69-Y361 CarbonylContact C-O 3.51Å; R69-Y361 VanDerWaalsContact CA-O 3.31Å; R69-Y361 WeakPolarHBondContact CA-O 3.38Å; F70-Y361 PolarHBondContact N-O 3.39Å; F70-Y361 PolarHBondContact O-N 3.03Å; P72-Y361 HydrophobicContact CG-CD2 3.65Å; P72-Y361 HydrophobicContact CG-CE2 3.89Å; R359-Y361 HydrophobicContact CB-CE2 4.2Å; R359-Y361 HydrophobicContact CG-CD2 4.1Å; R359-Y361 HydrophobicContact CG-CE2 3.89Å; R359-Y361 VanDerWaalsContact CZ-CE1 3.41Å; R359-Y361 VanDerWaalsContact NH1-CE1 3.27Å; R359-Y361 PolarHBondContact NH1-OH 3.17Å; R359-Y361 VanDerWaalsContact NH1-OH 3.1Å; R359-Y361 WeakPolarHBondContact O-CD2 2.98Å; Y361-F366 HydrophobicContact CD1-CB 4.41Å; Y361-M369 HydrophobicContact CE1-CB 4.43Å; Y361-E408 VanDerWaalsContact CE2-OE2 3.3Å; Y361-E408 WeakPolarHBondContact CE2-OE2 3.41Å; Y361-E408 PolarHBondContact OH-OE2 3.19Å |
| 362 | T | 92 | Very high | 81.9 | Confident | 31 Ų | 31 | 62.7 Ų | 62.7 | 19% | 0.19 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 156.2 | 155.6 | 62.3 | 0 | 0 | 0 | 0 | 110.4 | F68 R69 Q364 S365 F366 | F68-T362 WeakPolarHBondContact O-CA 3.43Å; F68-T362 WeakPolarHBondContact O-CB 3.4Å; R69-T362 HydrophobicContact CG-CG2 3.9Å; T362-Q364 VanDerWaalsContact C-N 3.29Å; T362-Q364 PolarHBondContact O-N 2.84Å; T362-S365 PolarHBondContact N-OG 3.06Å; T362-S365 PolarHBondContact O-N 3.45Å; T362-S365 PolarHBondContact O-OG 3.38Å; T362-S365 PolarHBondContact OG1-N 2.92Å; T362-S365 PolarHBondContact OG1-OG 3.2Å; T362-S365 VanDerWaalsContact OG1-OG 3.1Å; T362-F366 PolarHBondContact O-N 3.23Å |
| 363 | L | 92.1 | Very high | 84 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -49.9 | -50 | 173.7 | -72 | 172.9 | 0 | 0 | 0 | 111.3 | V65 F68 F70 S365 F366 G367 V473 Y578 F580 | V65-L363 HydrophobicContact CG1-CB 3.87Å; F68-L363 HydrophobicContact CB-CD1 3.86Å; F68-L363 HydrophobicContact CB-CG 4.2Å; F68-L363 HydrophobicContact CD1-CD1 3.7Å; F68-L363 HydrophobicContact CD1-CD2 4.18Å; F68-L363 HydrophobicContact CD1-CG 3.58Å; F68-L363 HydrophobicContact CD2-CD1 4.25Å; F68-L363 HydrophobicContact CE1-CD1 4.28Å; F68-L363 HydrophobicContact CE1-CD2 4.29Å; F68-L363 HydrophobicContact CE1-CG 4.17Å; F68-L363 HydrophobicContact CG-CD1 3.68Å; F68-L363 HydrophobicContact CG-CG 4.03Å; F68-L363 PolarHBondContact O-N 3.39Å; F70-L363 HydrophobicContact CD1-CD2 4.42Å; F70-L363 HydrophobicContact CE1-CD2 3.91Å; F70-L363 HydrophobicContact CE1-CG 4.48Å; L363-S365 PolarHBondContact O-N 3.4Å; L363-F366 PolarHBondContact O-N 2.85Å; L363-F366 VanDerWaalsContact O-N 3.11Å; L363-G367 PolarHBondContact O-N 3.41Å; L363-V473 HydrophobicContact CD2-CB 4.29Å; L363-V473 HydrophobicContact CD2-CG1 3.61Å; L363-V473 HydrophobicContact CD2-CG2 3.61Å; L363-Y578 PolarHBondContact O-OH 2.67Å; L363-F580 HydrophobicContact CD1-CD2 4.07Å; L363-F580 HydrophobicContact CD1-CE2 3.98Å; L363-F580 HydrophobicContact CD2-CD2 3.93Å; L363-F580 HydrophobicContact CD2-CE2 4.26Å |
| 364 | Q | 92.5 | Very high | 86.2 | Confident | 81 Ų | 81 | 60.1 Ų | 60.1 | 38% | 0.379 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -48.4 | -52.8 | 173.6 | 179.9 | 63.5 | 46.3 | 0 | 0 | 113 | V65 T362 F366 G367 E368 | V65-Q364 HydrophobicContact CG1-CB 4.33Å; V65-Q364 PolarHBondContact O-N 3.47Å; V65-Q364 VanDerWaalsContact O-N 3.1Å; T362-Q364 VanDerWaalsContact C-N 3.29Å; T362-Q364 PolarHBondContact O-N 2.84Å; Q364-F366 VanDerWaalsContact C-N 3.31Å; Q364-F366 PolarHBondContact O-N 3.07Å; Q364-G367 PolarHBondContact O-N 2.84Å; Q364-E368 PolarHBondContact NE2-OE1 3.45Å; Q364-E368 WeakPolarHBondContact O-CG 3.36Å; Q364-E368 PolarHBondContact O-N 3.03Å; Q364-E368 VanDerWaalsContact O-N 3.09Å |
| 365 | S | 93 | Very high | 87.9 | Confident | 29 Ų | 29 | 59 Ų | 59 | 20% | 0.203 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -72.7 | -22.1 | -177.8 | 66.7 | 0 | 0 | 0 | 0 | 114.3 | T362 L363 M369 | T362-S365 PolarHBondContact N-OG 3.06Å; T362-S365 PolarHBondContact O-N 3.45Å; T362-S365 PolarHBondContact O-OG 3.38Å; T362-S365 PolarHBondContact OG1-N 2.92Å; T362-S365 PolarHBondContact OG1-OG 3.2Å; T362-S365 VanDerWaalsContact OG1-OG 3.1Å; L363-S365 PolarHBondContact O-N 3.4Å; S365-M369 PolarHBondContact O-N 3.26Å |
| 366 | F | 94.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -78.5 | -41.5 | 174.1 | -177.4 | -89.8 | 0 | 0 | 0 | 110.9 | F70 P72 Y361 T362 L363 Q364 M369 A370 E408 V473 M475 Y578 | F70-F366 HydrophobicContact CE1-CB 4.14Å; F70-F366 HydrophobicContact CE1-CG 4.35Å; F70-F366 HydrophobicContact CE2-CD2 4.3Å; F70-F366 HydrophobicContact CE2-CE2 4.48Å; F70-F366 HydrophobicContact CZ-CB 3.94Å; F70-F366 HydrophobicContact CZ-CD1 4.19Å; F70-F366 AromaticContact CZ-CD2 3.68Å; F70-F366 HydrophobicContact CZ-CD2 3.68Å; F70-F366 HydrophobicContact CZ-CE2 4.2Å; F70-F366 AromaticContact CZ-CG 3.67Å; F70-F366 HydrophobicContact CZ-CG 3.67Å; P72-F366 HydrophobicContact CB-CE2 4.38Å; Y361-F366 HydrophobicContact CD1-CB 4.41Å; T362-F366 PolarHBondContact O-N 3.23Å; L363-F366 PolarHBondContact O-N 2.85Å; L363-F366 VanDerWaalsContact O-N 3.11Å; Q364-F366 VanDerWaalsContact C-N 3.31Å; Q364-F366 PolarHBondContact O-N 3.07Å; F366-M369 HydrophobicContact CD2-CE 3.65Å; F366-M369 HydrophobicContact CE2-CE 3.51Å; F366-M369 HydrophobicContact CG-CE 4.33Å; F366-M369 HydrophobicContact CZ-CE 4.08Å; F366-M369 WeakPolarHBondContact O-CB 3.19Å; F366-M369 PolarHBondContact O-N 3.33Å; F366-M369 VanDerWaalsContact O-N 3.1Å; F366-A370 WeakPolarHBondContact O-CB 3.28Å; F366-A370 PolarHBondContact O-N 2.77Å; F366-E408 HydrophobicContact CE2-CB 4Å; F366-E408 WeakPolarHBondContact CZ-O 3.43Å; F366-V473 HydrophobicContact CD1-CG1 3.68Å; F366-V473 HydrophobicContact CE1-CG1 3.74Å; F366-V473 HydrophobicContact CG-CG1 4.47Å; F366-M475 HydrophobicContact CE1-CB 4.02Å; F366-M475 HydrophobicContact CZ-CB 3.96Å; F366-M475 HydrophobicContact CZ-CG 4.31Å; F366-Y578 AromaticContact CD1-CD2 4Å; F366-Y578 HydrophobicContact CD1-CD2 4Å; F366-Y578 AromaticContact CD1-CE2 3.9Å; F366-Y578 HydrophobicContact CD1-CE2 3.9Å; F366-Y578 HydrophobicContact CE1-CD2 4.32Å |
| 367 | G | 93.4 | Very high | 91 | Very high | 4 Ų | 4 | 55.9 Ų | 55.9 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.4 | -45.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L363 Q364 M369 A370 D371 Y578 | L363-G367 PolarHBondContact O-N 3.41Å; Q364-G367 PolarHBondContact O-N 2.84Å; G367-M369 PolarHBondContact O-N 2.79Å; G367-A370 PolarHBondContact O-N 2.68Å; G367-D371 WeakPolarHBondContact O-CB 3.38Å; G367-D371 PolarHBondContact O-N 3.22Å; G367-Y578 VanDerWaalsContact CA-CD1 3.47Å; G367-Y578 VanDerWaalsContact CA-CE1 3.43Å; G367-Y578 VanDerWaalsContact CA-CZ 3.49Å |
| 368 | E | 94 | Very high | 92.1 | Very high | 104 Ų | 104 | 56.7 Ų | 56.7 | 49% | 0.486 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.5 | -34.8 | 172.6 | -74.1 | 169.4 | -154.1 | 0 | 0 | 112.8 | Q364 N372 | Q364-E368 PolarHBondContact NE2-OE1 3.45Å; Q364-E368 WeakPolarHBondContact O-CG 3.36Å; Q364-E368 PolarHBondContact O-N 3.03Å; Q364-E368 VanDerWaalsContact O-N 3.09Å; E368-N372 WeakPolarHBondContact O-CB 3.45Å; E368-N372 PolarHBondContact O-ND2 3.22Å |
| 369 | M | 94 | Very high | 93.1 | Very high | 44 Ų | 44 | 54.7 Ų | 54.7 | 22% | 0.217 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -73.4 | -47.9 | 175.1 | 178.1 | -78.7 | -66.8 | 0 | 0 | 111.5 | Y361 S365 F366 G367 F373 E408 M475 | Y361-M369 HydrophobicContact CE1-CB 4.43Å; S365-M369 PolarHBondContact O-N 3.26Å; F366-M369 HydrophobicContact CD2-CE 3.65Å; F366-M369 HydrophobicContact CE2-CE 3.51Å; F366-M369 HydrophobicContact CG-CE 4.33Å; F366-M369 HydrophobicContact CZ-CE 4.08Å; F366-M369 WeakPolarHBondContact O-CB 3.19Å; F366-M369 PolarHBondContact O-N 3.33Å; F366-M369 VanDerWaalsContact O-N 3.1Å; G367-M369 PolarHBondContact O-N 2.79Å; M369-F373 WeakPolarHBondContact O-CB 3.18Å; M369-F373 PolarHBondContact O-N 2.75Å; M369-E408 HydrophobicContact CE-CB 4.1Å; M369-M475 HydrophobicContact CE-CE 4.48Å; M369-M475 HydrophobicContact CE-SD 3.77Å; M369-M475 HydrophobicContact SD-CE 3.95Å; M369-M475 HydrophobicContact SD-SD 4.01Å |
| 370 | A | 95.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.7 | -42.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | F366 G367 F373 K374 M475 Y578 | F366-A370 WeakPolarHBondContact O-CB 3.28Å; F366-A370 PolarHBondContact O-N 2.77Å; G367-A370 PolarHBondContact O-N 2.68Å; A370-F373 PolarHBondContact O-N 2.77Å; A370-K374 PolarHBondContact O-N 3.41Å; A370-M475 HydrophobicContact CB-CB 3.52Å; A370-Y578 HydrophobicContact CB-CD2 4.5Å; A370-Y578 HydrophobicContact CB-CG 4.45Å |
| 371 | D | 96 | Very high | 94.1 | Very high | 60 Ų | 60 | 50.2 Ų | 50.2 | 32% | 0.321 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -68.9 | -45.2 | -179.7 | -76.8 | -8 | 0 | 0 | 0 | 111.3 | G367 F373 K374 S375 V382 | G367-D371 WeakPolarHBondContact O-CB 3.38Å; G367-D371 PolarHBondContact O-N 3.22Å; D371-F373 VanDerWaalsContact C-N 3.35Å; D371-F373 PolarHBondContact O-N 3.36Å; D371-K374 PolarHBondContact O-N 3.21Å; D371-S375 PolarHBondContact O-N 3.19Å; D371-S375 PolarHBondContact O-OG 3.25Å; D371-V382 HydrophobicContact CB-CG1 4.18Å; D371-V382 VanDerWaalsContact O-CG1 3.28Å; D371-V382 WeakPolarHBondContact O-CG1 3.41Å |
| 372 | N | 95.7 | Very high | 94.4 | Very high | 96 Ų | 96 | 50.7 Ų | 50.7 | 51% | 0.513 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 175.3 | -79.9 | -53.7 | 0 | 0 | 0 | 111.2 | E368 K374 S375 D376 | E368-N372 WeakPolarHBondContact O-CB 3.45Å; E368-N372 PolarHBondContact O-ND2 3.22Å; N372-K374 PolarHBondContact O-N 3.28Å; N372-S375 PolarHBondContact O-N 2.73Å; N372-S375 PolarHBondContact O-OG 2.65Å; N372-S375 VanDerWaalsContact O-OG 3.12Å; N372-D376 WeakPolarHBondContact O-CB 3.23Å; N372-D376 PolarHBondContact O-N 2.93Å |
| 373 | F | 96.1 | Very high | 94.4 | Very high | 51 Ų | 51 | 56 Ų | 56 | 22% | 0.224 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -55.9 | -50.9 | 175.1 | 170 | -93.2 | 0 | 0 | 0 | 111.5 | M369 A370 D371 D376 Y377 V405 V407 M475 C476 F477 | M369-F373 WeakPolarHBondContact O-CB 3.18Å; M369-F373 PolarHBondContact O-N 2.75Å; A370-F373 PolarHBondContact O-N 2.77Å; D371-F373 VanDerWaalsContact C-N 3.35Å; D371-F373 PolarHBondContact O-N 3.36Å; F373-D376 PolarHBondContact O-N 2.82Å; F373-Y377 HydrophobicContact CZ-CD2 4.33Å; F373-Y377 VanDerWaalsContact O-CB 3.28Å; F373-Y377 WeakPolarHBondContact O-CB 3.38Å; F373-Y377 PolarHBondContact O-N 2.86Å; F373-V405 HydrophobicContact CZ-CG1 4.26Å; F373-V407 HydrophobicContact CE1-CG1 4.27Å; F373-V407 HydrophobicContact CZ-CG1 3.97Å; F373-M475 HydrophobicContact CB-CE 3.94Å; F373-M475 HydrophobicContact CD1-CE 3.33Å; F373-M475 HydrophobicContact CD2-CE 4.12Å; F373-M475 HydrophobicContact CE1-CE 3.79Å; F373-M475 HydrophobicContact CE2-CE 4.49Å; F373-M475 HydrophobicContact CG-CE 3.52Å; F373-M475 HydrophobicContact CZ-CE 4.35Å; F373-C476 HydrophobicContact CD1-CB 4.17Å; F373-C476 HydrophobicContact CE1-CB 4.13Å; F373-F477 AromaticContact CE1-CD2 3.77Å; F373-F477 HydrophobicContact CE1-CD2 3.77Å; F373-F477 HydrophobicContact CE1-CE2 4.09Å; F373-F477 AromaticContact CZ-CD2 3.92Å; F373-F477 HydrophobicContact CZ-CD2 3.92Å; F373-F477 HydrophobicContact CZ-CE2 4.21Å |
| 374 | K | 97.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 61.3 Ų | 61.3 | 0% | 0.004 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.7 | -39.4 | -178.9 | -178 | 174.4 | 170.6 | -178.8 | 0 | 112.2 | A370 D371 N372 Y377 F378 V382 C476 E499 Q576 | A370-K374 PolarHBondContact O-N 3.41Å; D371-K374 PolarHBondContact O-N 3.21Å; N372-K374 PolarHBondContact O-N 3.28Å; K374-Y377 PolarHBondContact O-N 2.97Å; K374-F378 HydrophobicContact CG-CD2 3.96Å; K374-F378 HydrophobicContact CG-CE2 4.33Å; K374-F378 PolarHBondContact O-N 3.31Å; K374-F378 VanDerWaalsContact O-N 3.12Å; K374-V382 HydrophobicContact CB-CG1 3.91Å; K374-V382 HydrophobicContact CD-CB 3.97Å; K374-V382 HydrophobicContact CD-CG1 4.17Å; K374-V382 WeakPolarHBondContact CE-O 3.28Å; K374-V382 HydrophobicContact CG-CB 4.34Å; K374-V382 HydrophobicContact CG-CG1 4.07Å; K374-V382 PolarHBondContact NZ-O 3.49Å; K374-V382 VanDerWaalsContact NZ-O 3.11Å; K374-C476 HydrophobicContact CB-CB 3.98Å; K374-C476 HydrophobicContact CD-CB 4.04Å; K374-C476 HydrophobicContact CG-CB 4.18Å; K374-E499 WeakPolarHBondContact CD-OE2 3.28Å; K374-E499 IonicContact NZ-OE1 2.69Å; K374-E499 PolarHBondContact NZ-OE1 3.28Å; K374-E499 IonicContact NZ-OE2 2.67Å; K374-E499 PolarHBondContact NZ-OE2 2.82Å; K374-Q576 WeakPolarHBondContact CD-O 3.18Å; K374-Q576 WeakPolarHBondContact CE-O 3.47Å; K374-Q576 PolarHBondContact NZ-O 3.15Å |
| 375 | S | 95.6 | Very high | 94.6 | Very high | 30 Ų | 30 | 57.9 Ų | 57.9 | 21% | 0.21 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.3 | -37.3 | 178.6 | 63.6 | 0 | 0 | 0 | 0 | 113.2 | D371 N372 N379 M380 | D371-S375 PolarHBondContact O-N 3.19Å; D371-S375 PolarHBondContact O-OG 3.25Å; N372-S375 PolarHBondContact O-N 2.73Å; N372-S375 PolarHBondContact O-OG 2.65Å; N372-S375 VanDerWaalsContact O-OG 3.12Å; S375-N379 WeakPolarHBondContact O-CA 3.45Å; S375-N379 PolarHBondContact O-N 2.88Å; S375-M380 WeakPolarHBondContact CA-O 3.49Å; S375-M380 PolarHBondContact O-N 3.08Å |
| 376 | D | 95.2 | Very high | 94.7 | Very high | 121 Ų | 121 | 59.4 Ų | 59.4 | 65% | 0.647 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -72.9 | -33.7 | 176.9 | -76.8 | -2 | 0 | 0 | 0 | 111.5 | N372 F373 N379 | N372-D376 WeakPolarHBondContact O-CB 3.23Å; N372-D376 PolarHBondContact O-N 2.93Å; F373-D376 PolarHBondContact O-N 2.82Å; D376-N379 PolarHBondContact O-ND2 3.4Å |
| 377 | Y | 95.1 | Very high | 94.7 | Very high | 71 Ų | 71 | 61.1 Ų | 61.1 | 28% | 0.278 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.2 | -52.3 | 177.3 | -164.7 | -76.8 | 0 | 0 | 0 | 112.5 | F373 K374 E393 L397 V405 F477 | F373-Y377 HydrophobicContact CZ-CD2 4.33Å; F373-Y377 VanDerWaalsContact O-CB 3.28Å; F373-Y377 WeakPolarHBondContact O-CB 3.38Å; F373-Y377 PolarHBondContact O-N 2.86Å; K374-Y377 PolarHBondContact O-N 2.97Å; Y377-E393 HydrophobicContact CE1-CG 3.85Å; Y377-E393 PolarHBondContact OH-OE1 3.13Å; Y377-L397 HydrophobicContact CE2-CD1 4.46Å; Y377-V405 HydrophobicContact CE2-CG2 4.43Å; Y377-F477 HydrophobicContact CD1-CE2 4.2Å; Y377-F477 HydrophobicContact CD1-CZ 4.17Å; Y377-F477 HydrophobicContact CD2-CE2 4.11Å; Y377-F477 HydrophobicContact CE1-CE2 4.17Å; Y377-F477 AromaticContact CE1-CZ 3.98Å; Y377-F477 HydrophobicContact CE1-CZ 3.98Å; Y377-F477 HydrophobicContact CE2-CE2 4.06Å; Y377-F477 HydrophobicContact CG-CE2 4.21Å |
| 378 | F | 95.7 | Very high | 94.7 | Very high | 28 Ų | 28 | 65.9 Ų | 65.9 | 12% | 0.123 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -91.8 | -5.3 | -176.1 | -68.3 | -78.2 | 0 | 0 | 0 | 114 | K374 M380 V385 L389 V390 E393 F477 | K374-F378 HydrophobicContact CG-CD2 3.96Å; K374-F378 HydrophobicContact CG-CE2 4.33Å; K374-F378 PolarHBondContact O-N 3.31Å; K374-F378 VanDerWaalsContact O-N 3.12Å; F378-M380 WeakPolarHBondContact O-CG 3.46Å; F378-M380 PolarHBondContact O-N 3.33Å; F378-V385 HydrophobicContact CB-CG1 4.28Å; F378-V385 HydrophobicContact CB-CG2 3.82Å; F378-V385 HydrophobicContact CD1-CG1 3.85Å; F378-V385 HydrophobicContact CD2-CG1 3.91Å; F378-V385 HydrophobicContact CD2-CG2 4.17Å; F378-V385 HydrophobicContact CE1-CG1 4.13Å; F378-V385 HydrophobicContact CE2-CG1 4.18Å; F378-V385 HydrophobicContact CG-CG1 3.74Å; F378-V385 HydrophobicContact CG-CG2 4.05Å; F378-V385 HydrophobicContact CZ-CG1 4.27Å; F378-L389 HydrophobicContact CD1-CD2 4.11Å; F378-L389 HydrophobicContact CD1-CG 4.35Å; F378-L389 HydrophobicContact CE1-CD2 4.32Å; F378-L389 HydrophobicContact CE1-CG 4.06Å; F378-V390 HydrophobicContact CE2-CG2 4.15Å; F378-V390 HydrophobicContact CZ-CB 4.33Å; F378-V390 HydrophobicContact CZ-CG1 4.38Å; F378-V390 HydrophobicContact CZ-CG2 3.94Å; F378-E393 HydrophobicContact CE1-CB 4.39Å; F378-E393 HydrophobicContact CE1-CG 4.34Å; F378-E393 HydrophobicContact CZ-CB 4.45Å; F378-E393 HydrophobicContact CZ-CG 4.42Å; F378-F477 HydrophobicContact CE2-CE1 4.45Å; F378-F477 HydrophobicContact CE2-CE2 4.49Å; F378-F477 AromaticContact CE2-CZ 3.85Å; F378-F477 HydrophobicContact CE2-CZ 3.85Å; F378-F477 HydrophobicContact CZ-CE1 4.05Å; F378-F477 AromaticContact CZ-CZ 3.6Å; F378-F477 HydrophobicContact CZ-CZ 3.6Å |
| 379 | N | 94.5 | Very high | 94.7 | Very high | 143 Ų | 143 | 64.4 Ų | 64.4 | 77% | 0.765 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 52 | 33.1 | -172.9 | -52.9 | 141.6 | 0 | 0 | 0 | 113.8 | S375 D376 | S375-N379 WeakPolarHBondContact O-CA 3.45Å; S375-N379 PolarHBondContact O-N 2.88Å; D376-N379 PolarHBondContact O-ND2 3.4Å |
| 380 | M | 93.5 | Very high | 94.8 | Very high | 72 Ų | 72 | 62.3 Ų | 62.3 | 36% | 0.355 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -137.4 | 153.9 | -177.3 | -71.8 | 177.6 | 65.3 | 0 | 0 | 110.2 | S375 F378 V382 M384 V385 | S375-M380 WeakPolarHBondContact CA-O 3.49Å; S375-M380 PolarHBondContact O-N 3.08Å; F378-M380 WeakPolarHBondContact O-CG 3.46Å; F378-M380 PolarHBondContact O-N 3.33Å; M380-V382 PolarHBondContact O-N 2.9Å; M380-M384 HydrophobicContact CE-CB 3.93Å; M380-M384 WeakPolarHBondContact CE-O 3.33Å; M380-V385 HydrophobicContact CB-CG2 4.04Å |
| 381 | P | 92.2 | Very high | 94.9 | Very high | 75 Ų | 75 | 62.4 Ų | 62.4 | 49% | 0.487 | 33% | 0.325 | S | S | . | . | trans | -56.9 | 137.9 | 167.5 | -20.9 | 32.6 | 0 | 0 | 0 | 110.4 | H383 M384 | P381-H383 VanDerWaalsContact C-N 3.31Å; P381-H383 PolarHBondContact O-N 3.15Å; P381-H383 VanDerWaalsContact O-N 3.16Å; P381-M384 HydrophobicContact CB-CB 4.42Å; P381-M384 HydrophobicContact CB-CG 4.07Å; P381-M384 HydrophobicContact CG-CG 4.24Å; P381-M384 WeakPolarHBondContact O-CB 3.31Å; P381-M384 PolarHBondContact O-N 3.25Å | ||
| 382 | V | 94.3 | Very high | 94.7 | Very high | 24 Ų | 24 | 63.9 Ų | 63.9 | 15% | 0.145 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -52.9 | -44.5 | -168.1 | -60.7 | 0 | 0 | 0 | 0 | 114 | D371 K374 M380 M384 V385 | D371-V382 HydrophobicContact CB-CG1 4.18Å; D371-V382 VanDerWaalsContact O-CG1 3.28Å; D371-V382 WeakPolarHBondContact O-CG1 3.41Å; K374-V382 HydrophobicContact CB-CG1 3.91Å; K374-V382 HydrophobicContact CD-CB 3.97Å; K374-V382 HydrophobicContact CD-CG1 4.17Å; K374-V382 WeakPolarHBondContact CE-O 3.28Å; K374-V382 HydrophobicContact CG-CB 4.34Å; K374-V382 HydrophobicContact CG-CG1 4.07Å; K374-V382 PolarHBondContact NZ-O 3.49Å; K374-V382 VanDerWaalsContact NZ-O 3.11Å; M380-V382 PolarHBondContact O-N 2.9Å; V382-M384 PolarHBondContact O-N 2.97Å; V382-V385 PolarHBondContact O-N 3.23Å |
| 383 | H | 91.7 | Very high | 94.7 | Very high | 143 Ų | 143 | 61 Ų | 61 | 66% | 0.662 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -73.4 | -6.8 | 179.3 | 63.8 | -96.7 | 0 | 0 | 0 | 114.7 | P381 | P381-H383 VanDerWaalsContact C-N 3.31Å; P381-H383 PolarHBondContact O-N 3.15Å; P381-H383 VanDerWaalsContact O-N 3.16Å |
| 384 | M | 94.3 | Very high | 94.6 | Very high | 110 Ų | 110 | 58.6 Ų | 58.6 | 54% | 0.542 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -96.2 | -8 | 176.3 | -66.5 | -62.5 | -59.6 | 0 | 0 | 112.6 | M380 P381 V382 P386 | M380-M384 HydrophobicContact CE-CB 3.93Å; M380-M384 WeakPolarHBondContact CE-O 3.33Å; P381-M384 HydrophobicContact CB-CB 4.42Å; P381-M384 HydrophobicContact CB-CG 4.07Å; P381-M384 HydrophobicContact CG-CG 4.24Å; P381-M384 WeakPolarHBondContact O-CB 3.31Å; P381-M384 PolarHBondContact O-N 3.25Å; V382-M384 PolarHBondContact O-N 2.97Å; M384-P386 WeakPolarHBondContact O-CD 3.45Å |
| 385 | V | 94.3 | Very high | 94.3 | Very high | 10 Ų | 10 | 58.7 Ų | 58.7 | 6% | 0.061 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -78.6 | 119 | 179 | -171.5 | 0 | 0 | 0 | 0 | 109.2 | F378 M380 V382 L389 V390 | F378-V385 HydrophobicContact CB-CG1 4.28Å; F378-V385 HydrophobicContact CB-CG2 3.82Å; F378-V385 HydrophobicContact CD1-CG1 3.85Å; F378-V385 HydrophobicContact CD2-CG1 3.91Å; F378-V385 HydrophobicContact CD2-CG2 4.17Å; F378-V385 HydrophobicContact CE1-CG1 4.13Å; F378-V385 HydrophobicContact CE2-CG1 4.18Å; F378-V385 HydrophobicContact CG-CG1 3.74Å; F378-V385 HydrophobicContact CG-CG2 4.05Å; F378-V385 HydrophobicContact CZ-CG1 4.27Å; M380-V385 HydrophobicContact CB-CG2 4.04Å; V382-V385 PolarHBondContact O-N 3.23Å; V385-L389 HydrophobicContact CG1-CD2 4.23Å; V385-V390 HydrophobicContact CB-CG2 4.46Å; V385-V390 HydrophobicContact CG1-CG2 3.57Å |
| 386 | P | 95.2 | Very high | 94.1 | Very high | 61 Ų | 61 | 61.6 Ų | 61.6 | 40% | 0.396 | 31% | 0.308 | S | S | . | . | trans | -65.5 | 144.6 | -178.8 | -21.9 | 34.2 | 0 | 0 | 0 | 112.8 | M384 E388 L389 V390 | M384-P386 WeakPolarHBondContact O-CD 3.45Å; P386-E388 WeakPolarHBondContact CB-OE2 3.5Å; P386-E388 PolarHBondContact O-N 2.9Å; P386-L389 HydrophobicContact CB-CB 4.35Å; P386-L389 WeakPolarHBondContact O-CB 3.13Å; P386-L389 PolarHBondContact O-N 3.05Å; P386-V390 PolarHBondContact O-N 3.34Å | ||
| 387 | T | 95.2 | Very high | 93.9 | Very high | 35 Ų | 35 | 55.8 Ų | 55.8 | 22% | 0.215 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.2 | -29.7 | -176.1 | 33.8 | 0 | 0 | 0 | 0 | 113.6 | E391 P500 N556 Q576 | T387-E391 WeakPolarHBondContact O-CB 3.15Å; T387-E391 PolarHBondContact O-N 3.43Å; T387-E391 VanDerWaalsContact O-N 3.12Å; T387-P500 HydrophobicContact CG2-CG 4.42Å; T387-N556 WeakPolarHBondContact CB-ND2 3.09Å; T387-N556 PolarHBondContact OG1-ND2 3.29Å; T387-Q576 HydrophobicContact CG2-CG 4.02Å; T387-Q576 PolarHBondContact O-NE2 3.38Å |
| 388 | E | 93.8 | Very high | 93.4 | Very high | 105 Ų | 105 | 52.4 Ų | 52.4 | 49% | 0.491 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -76.4 | -28.2 | -179.8 | -52.8 | 63.7 | -126.8 | 0 | 0 | 111.1 | P386 K392 | P386-E388 WeakPolarHBondContact CB-OE2 3.5Å; P386-E388 PolarHBondContact O-N 2.9Å; E388-K392 VanDerWaalsContact O-CB 3.27Å; E388-K392 WeakPolarHBondContact O-CB 3.48Å; E388-K392 PolarHBondContact O-N 3.43Å |
| 389 | L | 94.6 | Very high | 92.7 | Very high | 72 Ų | 72 | 54 Ų | 54 | 38% | 0.377 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -72.9 | -45.9 | 177.1 | 179.1 | 60.4 | 0 | 0 | 0 | 110.5 | F378 V385 P386 E391 E393 | F378-L389 HydrophobicContact CD1-CD2 4.11Å; F378-L389 HydrophobicContact CD1-CG 4.35Å; F378-L389 HydrophobicContact CE1-CD2 4.32Å; F378-L389 HydrophobicContact CE1-CG 4.06Å; V385-L389 HydrophobicContact CG1-CD2 4.23Å; P386-L389 HydrophobicContact CB-CB 4.35Å; P386-L389 WeakPolarHBondContact O-CB 3.13Å; P386-L389 PolarHBondContact O-N 3.05Å; L389-E391 VanDerWaalsContact C-N 3.33Å; L389-E393 VanDerWaalsContact O-CB 3.25Å; L389-E393 WeakPolarHBondContact O-CB 3.47Å; L389-E393 PolarHBondContact O-N 2.93Å |
| 390 | V | 96.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.2 | -40.4 | 175.5 | -171.9 | 0 | 0 | 0 | 0 | 110.7 | F378 V385 P386 E393 F394 F477 F574 Q576 | F378-V390 HydrophobicContact CE2-CG2 4.15Å; F378-V390 HydrophobicContact CZ-CB 4.33Å; F378-V390 HydrophobicContact CZ-CG1 4.38Å; F378-V390 HydrophobicContact CZ-CG2 3.94Å; V385-V390 HydrophobicContact CB-CG2 4.46Å; V385-V390 HydrophobicContact CG1-CG2 3.57Å; P386-V390 PolarHBondContact O-N 3.34Å; V390-E393 PolarHBondContact O-N 3.38Å; V390-F394 VanDerWaalsContact O-CB 3.31Å; V390-F394 WeakPolarHBondContact O-CB 3.47Å; V390-F394 PolarHBondContact O-N 3.24Å; V390-F477 HydrophobicContact CG1-CD1 3.9Å; V390-F477 HydrophobicContact CG1-CE1 3.63Å; V390-F574 HydrophobicContact CG1-CE2 4.02Å; V390-Q576 VanDerWaalsContact CG2-OE1 3.29Å |
| 391 | E | 95.7 | Very high | 91 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.009 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62 | -49.9 | 177.4 | -174.5 | 177.6 | -153.8 | 0 | 0 | 112.4 | F13 T387 L389 E393 F394 W395 Y504 R554 F574 | F13-E391 HydrophobicContact CD1-CG 4.11Å; F13-E391 HydrophobicContact CE1-CG 3.5Å; F13-E391 WeakPolarHBondContact CE1-OE1 3.47Å; F13-E391 HydrophobicContact CZ-CG 4.09Å; T387-E391 WeakPolarHBondContact O-CB 3.15Å; T387-E391 PolarHBondContact O-N 3.43Å; T387-E391 VanDerWaalsContact O-N 3.12Å; L389-E391 VanDerWaalsContact C-N 3.33Å; E391-E393 VanDerWaalsContact C-N 3.28Å; E391-E393 PolarHBondContact O-N 3.48Å; E391-F394 PolarHBondContact O-N 3.41Å; E391-W395 PolarHBondContact O-N 3.5Å; E391-Y504 VanDerWaalsContact CD-OH 3.31Å; E391-Y504 VanDerWaalsContact CG-OH 3.26Å; E391-Y504 WeakPolarHBondContact CG-OH 3.45Å; E391-Y504 WeakPolarHBondContact OE1-CE1 3.44Å; E391-Y504 PolarHBondContact OE1-OH 3.08Å; E391-R554 IonicContact OE1-CZ 2.72Å; E391-R554 IonicContact OE1-NH1 3.26Å; E391-R554 PolarHBondContact OE1-NH1 2.84Å; E391-R554 IonicContact OE2-CZ 2.63Å; E391-R554 IonicContact OE2-NH1 2.73Å; E391-R554 PolarHBondContact OE2-NH1 3.17Å; E391-F574 HydrophobicContact CB-CE1 4.44Å; E391-F574 HydrophobicContact CB-CZ 3.81Å; E391-F574 HydrophobicContact CG-CE1 4.16Å; E391-F574 HydrophobicContact CG-CZ 4.02Å |
| 392 | K | 93.8 | Very high | 90 | Very high | 92 Ų | 92 | 49.6 Ų | 49.6 | 40% | 0.4 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.7 | -39.6 | 175.6 | 175.5 | 175.5 | 169.3 | 177.1 | 0 | 112 | E12 E388 R396 | E12-K392 WeakPolarHBondContact OE1-CE 3.48Å; E12-K392 IonicContact OE1-NZ 2.8Å; E12-K392 PolarHBondContact OE1-NZ 3.23Å; E388-K392 VanDerWaalsContact O-CB 3.27Å; E388-K392 WeakPolarHBondContact O-CB 3.48Å; E388-K392 PolarHBondContact O-N 3.43Å; K392-R396 WeakPolarHBondContact O-CB 3.36Å; K392-R396 PolarHBondContact O-N 3.33Å; K392-R396 VanDerWaalsContact O-N 3.17Å |
| 393 | E | 93.7 | Very high | 89.1 | Confident | 35 Ų | 35 | 52.7 Ų | 52.7 | 16% | 0.164 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -74.3 | -38.3 | -178.5 | -170 | 64 | -178.6 | 0 | 0 | 112.6 | Y377 F378 L389 V390 E391 W395 R396 L397 F477 | Y377-E393 HydrophobicContact CE1-CG 3.85Å; Y377-E393 PolarHBondContact OH-OE1 3.13Å; F378-E393 HydrophobicContact CE1-CB 4.39Å; F378-E393 HydrophobicContact CE1-CG 4.34Å; F378-E393 HydrophobicContact CZ-CB 4.45Å; F378-E393 HydrophobicContact CZ-CG 4.42Å; L389-E393 VanDerWaalsContact O-CB 3.25Å; L389-E393 WeakPolarHBondContact O-CB 3.47Å; L389-E393 PolarHBondContact O-N 2.93Å; V390-E393 PolarHBondContact O-N 3.38Å; E391-E393 VanDerWaalsContact C-N 3.28Å; E391-E393 PolarHBondContact O-N 3.48Å; E393-W395 PolarHBondContact O-N 3.39Å; E393-R396 WeakPolarHBondContact O-CB 3.33Å; E393-R396 PolarHBondContact O-N 2.96Å; E393-R396 IonicContact OE1-CZ 2.95Å; E393-R396 VanDerWaalsContact OE1-CZ 3.25Å; E393-R396 IonicContact OE1-NE 2.86Å; E393-R396 PolarHBondContact OE1-NE 2.89Å; E393-R396 IonicContact OE1-NH2 2.68Å; E393-R396 PolarHBondContact OE1-NH2 3.16Å; E393-R396 WeakPolarHBondContact OE2-CD 3.47Å; E393-R396 IonicContact OE2-CZ 3.16Å; E393-R396 IonicContact OE2-NE 2.7Å; E393-R396 PolarHBondContact OE2-NE 3.12Å; E393-R396 IonicContact OE2-NH2 2.76Å; E393-L397 HydrophobicContact CG-CD1 4.43Å; E393-L397 WeakPolarHBondContact O-CG 3.36Å; E393-L397 PolarHBondContact O-N 2.89Å; E393-F477 HydrophobicContact CB-CE1 4.36Å; E393-F477 HydrophobicContact CB-CZ 4.5Å; E393-F477 HydrophobicContact CG-CE1 4.38Å; E393-F477 HydrophobicContact CG-CZ 4.07Å |
| 394 | F | 94.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.2 | -52.4 | 173 | 175.6 | -102.2 | 0 | 0 | 0 | 111.1 | L77 V390 E391 R396 L397 V398 F477 I539 F574 | L77-F394 HydrophobicContact CD2-CE2 4.22Å; V390-F394 VanDerWaalsContact O-CB 3.31Å; V390-F394 WeakPolarHBondContact O-CB 3.47Å; V390-F394 PolarHBondContact O-N 3.24Å; E391-F394 PolarHBondContact O-N 3.41Å; F394-R396 VanDerWaalsContact C-N 3.28Å; F394-R396 PolarHBondContact O-N 2.79Å; F394-L397 PolarHBondContact O-N 3.37Å; F394-V398 HydrophobicContact CD1-CG2 4.38Å; F394-V398 HydrophobicContact CD2-CG2 4.23Å; F394-V398 HydrophobicContact CE1-CG2 4.04Å; F394-V398 HydrophobicContact CE2-CG2 3.88Å; F394-V398 HydrophobicContact CG-CG2 4.47Å; F394-V398 HydrophobicContact CZ-CG2 3.77Å; F394-V398 WeakPolarHBondContact O-CB 3.39Å; F394-V398 VanDerWaalsContact O-CG2 3.29Å; F394-V398 WeakPolarHBondContact O-CG2 3.43Å; F394-V398 PolarHBondContact O-N 3.16Å; F394-F477 HydrophobicContact CB-CD1 3.99Å; F394-F477 HydrophobicContact CB-CE1 4.35Å; F394-F477 HydrophobicContact CD2-CB 4.05Å; F394-F477 HydrophobicContact CD2-CD1 4.12Å; F394-F477 WeakPolarHBondContact CE2-O 3.24Å; F394-I539 HydrophobicContact CE1-CD1 3.73Å; F394-I539 HydrophobicContact CZ-CD1 3.69Å; F394-F574 HydrophobicContact CB-CE1 4.47Å; F394-F574 HydrophobicContact CB-CE2 4.48Å; F394-F574 HydrophobicContact CB-CZ 4.49Å; F394-F574 AromaticContact CD1-CD1 3.54Å; F394-F574 HydrophobicContact CD1-CD1 3.54Å; F394-F574 AromaticContact CD1-CE1 3.95Å; F394-F574 HydrophobicContact CD1-CE1 3.95Å; F394-F574 HydrophobicContact CD1-CG 4.02Å; F394-F574 HydrophobicContact CD2-CB 4.12Å; F394-F574 HydrophobicContact CD2-CD1 4.4Å; F394-F574 HydrophobicContact CD2-CD2 4.42Å; F394-F574 HydrophobicContact CD2-CG 4.04Å; F394-F574 HydrophobicContact CE1-CB 4.28Å; F394-F574 AromaticContact CE1-CD1 3.75Å; F394-F574 HydrophobicContact CE1-CD1 3.75Å; F394-F574 HydrophobicContact CE1-CG 4.2Å; F394-F574 HydrophobicContact CE2-CB 3.84Å; F394-F574 HydrophobicContact CE2-CG 4.21Å; F394-F574 HydrophobicContact CG-CB 4.46Å; F394-F574 AromaticContact CG-CD1 3.89Å; F394-F574 HydrophobicContact CG-CD1 3.89Å; F394-F574 HydrophobicContact CG-CD2 4.31Å; F394-F574 HydrophobicContact CG-CE1 4.29Å; F394-F574 AromaticContact CG-CG 3.94Å; F394-F574 HydrophobicContact CG-CG 3.94Å; F394-F574 HydrophobicContact CZ-CB 3.92Å; F394-F574 HydrophobicContact CZ-CD1 4.26Å; F394-F574 HydrophobicContact CZ-CG 4.29Å |
| 395 | W | 92.5 | Very high | 88.3 | Confident | 3 Ų | 3 | 48 Ų | 48 | 1% | 0.011 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.1 | -26.1 | 179.1 | -69.4 | 115.3 | 0 | 0 | 0 | 113.6 | F13 E391 E393 V398 S399 Y504 I539 N541 P542 | F13-W395 HydrophobicContact CB-CB 4.26Å; F13-W395 HydrophobicContact CD2-CB 3.94Å; F13-W395 AromaticContact CD2-CD1 3.34Å; F13-W395 HydrophobicContact CD2-CD2 4.43Å; F13-W395 AromaticContact CD2-CG 3.63Å; F13-W395 HydrophobicContact CD2-CG 3.63Å; F13-W395 AromaticContact CD2-NE1 3.98Å; F13-W395 AromaticContact CE1-CD1 3.96Å; F13-W395 AromaticContact CE2-CD1 3.26Å; F13-W395 HydrophobicContact CE2-CD2 4.35Å; F13-W395 AromaticContact CE2-CG 3.87Å; F13-W395 HydrophobicContact CE2-CG 3.87Å; F13-W395 AromaticContact CE2-NE1 3.42Å; F13-W395 HydrophobicContact CG-CB 4.16Å; F13-W395 AromaticContact CG-CD1 3.71Å; F13-W395 HydrophobicContact CG-CG 4.14Å; F13-W395 AromaticContact CZ-CD1 3.58Å; F13-W395 AromaticContact CZ-NE1 3.6Å; E391-W395 PolarHBondContact O-N 3.5Å; E393-W395 PolarHBondContact O-N 3.39Å; W395-V398 HydrophobicContact CE3-CB 4.42Å; W395-V398 HydrophobicContact CE3-CG1 4.16Å; W395-V398 HydrophobicContact CZ3-CG1 4.17Å; W395-S399 WeakPolarHBondContact O-CB 3.28Å; W395-S399 PolarHBondContact O-N 3.4Å; W395-S399 PolarHBondContact O-OG 3.13Å; W395-Y504 HydrophobicContact CZ2-CD2 4.06Å; W395-Y504 AromaticContact CZ2-CE2 3.53Å; W395-Y504 HydrophobicContact CZ2-CE2 3.53Å; W395-Y504 AromaticContact NE1-CE2 3.86Å; W395-Y504 AromaticContact NE1-CZ 3.57Å; W395-Y504 PolarHBondContact NE1-OH 2.7Å; W395-I539 HydrophobicContact CH2-CD1 3.43Å; W395-I539 VanDerWaalsContact CH2-CD1 3.43Å; W395-I539 HydrophobicContact CH2-CG1 3.67Å; W395-I539 HydrophobicContact CZ2-CD1 4.27Å; W395-I539 HydrophobicContact CZ3-CD1 3.83Å; W395-I539 HydrophobicContact CZ3-CG1 4.01Å; W395-I539 HydrophobicContact CZ3-CG2 4.34Å; W395-N541 HydrophobicContact CE3-CB 3.91Å; W395-N541 VanDerWaalsContact CZ3-CA 3.47Å; W395-N541 HydrophobicContact CZ3-CB 4.02Å; W395-P542 HydrophobicContact CH2-CG 4.34Å; W395-P542 HydrophobicContact CZ2-CG 3.78Å |
| 396 | R | 90.9 | Very high | 88 | Confident | 91 Ų | 91 | 52.1 Ų | 52.1 | 34% | 0.343 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.6 | -46.6 | 170.9 | -168.3 | -165.2 | 70.2 | 72.8 | -4.8 | 111.5 | K392 E393 F394 S399 S400 E403 | K392-R396 WeakPolarHBondContact O-CB 3.36Å; K392-R396 PolarHBondContact O-N 3.33Å; K392-R396 VanDerWaalsContact O-N 3.17Å; E393-R396 WeakPolarHBondContact O-CB 3.33Å; E393-R396 PolarHBondContact O-N 2.96Å; E393-R396 IonicContact OE1-CZ 2.95Å; E393-R396 VanDerWaalsContact OE1-CZ 3.25Å; E393-R396 IonicContact OE1-NE 2.86Å; E393-R396 PolarHBondContact OE1-NE 2.89Å; E393-R396 IonicContact OE1-NH2 2.68Å; E393-R396 PolarHBondContact OE1-NH2 3.16Å; E393-R396 WeakPolarHBondContact OE2-CD 3.47Å; E393-R396 IonicContact OE2-CZ 3.16Å; E393-R396 IonicContact OE2-NE 2.7Å; E393-R396 PolarHBondContact OE2-NE 3.12Å; E393-R396 IonicContact OE2-NH2 2.76Å; F394-R396 VanDerWaalsContact C-N 3.28Å; F394-R396 PolarHBondContact O-N 2.79Å; R396-S399 PolarHBondContact O-N 2.88Å; R396-S400 PolarHBondContact O-N 3.03Å; R396-E403 IonicContact CZ-OE2 2.78Å; R396-E403 IonicContact NH1-OE2 3.17Å; R396-E403 PolarHBondContact NH1-OE2 3.34Å; R396-E403 IonicContact NH2-OE2 3.67Å; R396-E403 PolarHBondContact NH2-OE2 3.3Å |
| 397 | L | 89.8 | Confident | 87.9 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.9 | -49 | 178.6 | -72.9 | 174 | 0 | 0 | 0 | 112.1 | L77 Y377 E393 F394 S399 S400 V405 F477 | L77-L397 HydrophobicContact CD1-CB 4.07Å; L77-L397 HydrophobicContact CD1-CD1 3.91Å; Y377-L397 HydrophobicContact CE2-CD1 4.46Å; E393-L397 HydrophobicContact CG-CD1 4.43Å; E393-L397 WeakPolarHBondContact O-CG 3.36Å; E393-L397 PolarHBondContact O-N 2.89Å; F394-L397 PolarHBondContact O-N 3.37Å; L397-S399 PolarHBondContact O-N 2.66Å; L397-S400 VanDerWaalsContact O-CB 3.22Å; L397-S400 WeakPolarHBondContact O-CB 3.36Å; L397-S400 PolarHBondContact O-N 2.88Å; L397-V405 HydrophobicContact CD1-CB 4.36Å; L397-V405 HydrophobicContact CD1-CG1 4.34Å; L397-V405 HydrophobicContact CD1-CG2 4.06Å; L397-V405 HydrophobicContact CD2-CB 4.43Å; L397-V405 HydrophobicContact CD2-CG2 3.61Å; L397-V405 HydrophobicContact CG-CG2 4.42Å; L397-F477 HydrophobicContact CD1-CD2 4.19Å; L397-F477 HydrophobicContact CD1-CE1 4.36Å; L397-F477 HydrophobicContact CD1-CE2 3.87Å; L397-F477 HydrophobicContact CD1-CZ 3.94Å |
| 398 | V | 86.2 | Confident | 87.7 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.4 | -29.9 | 177.2 | 167.7 | 0 | 0 | 0 | 0 | 112.2 | L77 E81 T84 F394 W395 I539 | L77-V398 HydrophobicContact CB-CG2 4.14Å; E81-V398 HydrophobicContact CB-CG1 3.55Å; E81-V398 HydrophobicContact CG-CG1 4.32Å; T84-V398 WeakPolarHBondContact CG2-O 3.4Å; F394-V398 HydrophobicContact CD1-CG2 4.38Å; F394-V398 HydrophobicContact CD2-CG2 4.23Å; F394-V398 HydrophobicContact CE1-CG2 4.04Å; F394-V398 HydrophobicContact CE2-CG2 3.88Å; F394-V398 HydrophobicContact CG-CG2 4.47Å; F394-V398 HydrophobicContact CZ-CG2 3.77Å; F394-V398 WeakPolarHBondContact O-CB 3.39Å; F394-V398 VanDerWaalsContact O-CG2 3.29Å; F394-V398 WeakPolarHBondContact O-CG2 3.43Å; F394-V398 PolarHBondContact O-N 3.16Å; W395-V398 HydrophobicContact CE3-CB 4.42Å; W395-V398 HydrophobicContact CE3-CG1 4.16Å; W395-V398 HydrophobicContact CZ3-CG1 4.17Å; V398-I539 HydrophobicContact CG1-CG2 3.62Å |
| 399 | S | 80.1 | Confident | 87.5 | Confident | 61 Ų | 61 | 45.7 Ų | 45.7 | 43% | 0.427 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -2.5 | 175.2 | -53.3 | 0 | 0 | 0 | 0 | 114.3 | W395 R396 L397 | W395-S399 WeakPolarHBondContact O-CB 3.28Å; W395-S399 PolarHBondContact O-N 3.4Å; W395-S399 PolarHBondContact O-OG 3.13Å; R396-S399 PolarHBondContact O-N 2.88Å; L397-S399 PolarHBondContact O-N 2.66Å |
| 400 | S | 78.4 | Confident | 87.2 | Confident | 15 Ų | 15 | 42.3 Ų | 42.3 | 11% | 0.105 | 21% | 0.209 | C | C | . | . | trans | -88.5 | 149.5 | -174.2 | -166.4 | 0 | 0 | 0 | 0 | 112.5 | R396 L397 E402 E403 | R396-S400 PolarHBondContact O-N 3.03Å; L397-S400 VanDerWaalsContact O-CB 3.22Å; L397-S400 WeakPolarHBondContact O-CB 3.36Å; L397-S400 PolarHBondContact O-N 2.88Å; S400-E402 PolarHBondContact OG-N 3.46Å; S400-E402 VanDerWaalsContact OG-N 3.17Å; S400-E403 PolarHBondContact OG-N 3.01Å | ||
| 401 | I | 73.3 | Confident | 86.7 | Confident | 50 Ų | 50 | 42.8 Ų | 42.8 | 26% | 0.256 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -127.6 | 10.6 | 163 | 60.5 | 154.9 | 0 | 0 | 0 | 111.7 | T84 I114 | T84-I401 HydrophobicContact CG2-CG2 4.45Å; I114-I401 HydrophobicContact CD1-CD1 3.79Å; I114-I401 HydrophobicContact CD1-CG1 4.24Å |
| 402 | E | 71.5 | Confident | 85.8 | Confident | 132 Ų | 132 | 44.8 Ų | 44.8 | 62% | 0.617 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -105.8 | -13.6 | -178 | -63.8 | -173.4 | 169.7 | 0 | 0 | 112.2 | I114 S400 | I114-E402 HydrophobicContact CD1-CG 3.88Å; I114-E402 HydrophobicContact CG1-CG 4.44Å; S400-E402 PolarHBondContact OG-N 3.46Å; S400-E402 VanDerWaalsContact OG-N 3.17Å |
| 403 | E | 76 | Confident | 85.4 | Confident | 90 Ų | 90 | 41 Ų | 41 | 42% | 0.421 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -143.1 | 106 | -172.1 | -64.8 | 176.9 | 155.5 | 0 | 0 | 110.5 | N78 R396 S400 | N78-E403 PolarHBondContact ND2-O 3.49Å; N78-E403 PolarHBondContact OD1-O 3.13Å; R396-E403 IonicContact CZ-OE2 2.78Å; R396-E403 IonicContact NH1-OE2 3.17Å; R396-E403 PolarHBondContact NH1-OE2 3.34Å; R396-E403 IonicContact NH2-OE2 3.67Å; R396-E403 PolarHBondContact NH2-OE2 3.3Å; S400-E403 PolarHBondContact OG-N 3.01Å |
| 404 | D | 80.4 | Confident | 85 | Confident | 136 Ų | 136 | 40 Ų | 40 | 73% | 0.727 | 20% | 0.204 | S | C | * | . | trans | -84.7 | 114 | -179.1 | -62.6 | -39.8 | 0 | 0 | 0 | 112.1 | N78 | N78-D404 WeakPolarHBondContact ND2-CA 3.48Å; N78-D404 PolarHBondContact ND2-OD1 3.42Å | ||
| 405 | V | 88.2 | Confident | 84.6 | Confident | 19 Ų | 19 | 40.4 Ų | 40.4 | 12% | 0.115 | 21% | 0.208 | C | C | . | . | trans | -110.7 | 130.8 | 174.9 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | R76 L77 F373 Y377 L397 V407 | R76-V405 WeakPolarHBondContact CA-O 3.39Å; L77-V405 HydrophobicContact CD1-CB 4.06Å; L77-V405 HydrophobicContact CD1-CG1 3.75Å; L77-V405 HydrophobicContact CG-CB 4.42Å; L77-V405 HydrophobicContact CG-CG1 4.31Å; L77-V405 PolarHBondContact N-O 3.37Å; F373-V405 HydrophobicContact CZ-CG1 4.26Å; Y377-V405 HydrophobicContact CE2-CG2 4.43Å; L397-V405 HydrophobicContact CD1-CB 4.36Å; L397-V405 HydrophobicContact CD1-CG1 4.34Å; L397-V405 HydrophobicContact CD1-CG2 4.06Å; L397-V405 HydrophobicContact CD2-CB 4.43Å; L397-V405 HydrophobicContact CD2-CG2 3.61Å; L397-V405 HydrophobicContact CG-CG2 4.42Å; V405-V407 HydrophobicContact CG1-CG1 4.41Å | ||
| 406 | I | 88.4 | Confident | 84.2 | Confident | 96 Ų | 96 | 46.8 Ų | 46.8 | 49% | 0.492 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 135.7 | -178.2 | -49.4 | -174 | 0 | 0 | 0 | 109 | V74 Q75 R76 | V74-I406 HydrophobicContact CG1-CG2 3.4Å; Q75-I406 CarbonylContact O-C 2.88Å; Q75-I406 WeakPolarHBondContact O-CA 3.43Å; Q75-I406 WeakPolarHBondContact O-CG2 3.39Å; R76-I406 HydrophobicContact CG-CD1 4.43Å; R76-I406 HydrophobicContact CG-CG1 4.18Å; R76-I406 HydrophobicContact CG-CG2 4.4Å |
| 407 | V | 92.2 | Very high | 83.6 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 153.7 | 178.1 | -63.5 | 0 | 0 | 0 | 0 | 111.5 | Q75 L77 F373 V405 M475 F477 | Q75-V407 HydrophobicContact CB-CG2 3.94Å; Q75-V407 PolarHBondContact N-O 3.16Å; Q75-V407 PolarHBondContact O-N 3.14Å; L77-V407 HydrophobicContact CD2-CG2 4.11Å; F373-V407 HydrophobicContact CE1-CG1 4.27Å; F373-V407 HydrophobicContact CZ-CG1 3.97Å; V405-V407 HydrophobicContact CG1-CG1 4.41Å; V407-M475 HydrophobicContact CB-CE 4.27Å; V407-M475 HydrophobicContact CB-CG 4.24Å; V407-M475 HydrophobicContact CB-SD 3.84Å; V407-M475 HydrophobicContact CG1-CE 4.09Å; V407-M475 HydrophobicContact CG1-SD 4.32Å; V407-F477 HydrophobicContact CG1-CB 4.26Å |
| 408 | E | 91 | Very high | 83.1 | Confident | 38 Ų | 38 | 51.7 Ų | 51.7 | 18% | 0.178 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 147.8 | 178 | -60.8 | -169.6 | 116 | 0 | 0 | 110.1 | P72 R73 Y361 F366 M369 M475 | P72-E408 HydrophobicContact CB-CB 4.12Å; P72-E408 HydrophobicContact CG-CB 4.35Å; R73-E408 CarbonylContact O-C 3.5Å; R73-E408 VanDerWaalsContact O-CA 3.32Å; R73-E408 WeakPolarHBondContact O-CA 3.3Å; Y361-E408 VanDerWaalsContact CE2-OE2 3.3Å; Y361-E408 WeakPolarHBondContact CE2-OE2 3.41Å; Y361-E408 PolarHBondContact OH-OE2 3.19Å; F366-E408 HydrophobicContact CE2-CB 4Å; F366-E408 WeakPolarHBondContact CZ-O 3.43Å; M369-E408 HydrophobicContact CE-CB 4.1Å; E408-M475 HydrophobicContact CB-SD 4.38Å; E408-M475 PolarHBondContact N-SD 2.78Å; E408-M475 WeakPolarHBondContact O-CG 3.33Å |
| 409 | Y | 91.1 | Very high | 83 | Confident | 24 Ų | 24 | 53.2 Ų | 53.2 | 9% | 0.094 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 149.9 | 177.8 | 79 | -67.1 | 0 | 0 | 0 | 113.6 | P72 R73 Q75 F354 A411 | P72-Y409 CarbonylContact C-O 3.56Å; P72-Y409 WeakPolarHBondContact CA-O 3.33Å; P72-Y409 WeakPolarHBondContact CB-O 3.37Å; R73-Y409 HydrophobicContact CB-CD1 3.89Å; R73-Y409 HydrophobicContact CB-CE1 3.4Å; R73-Y409 VanDerWaalsContact CB-CE1 3.4Å; R73-Y409 HydrophobicContact CG-CE1 4.47Å; R73-Y409 PolarHBondContact N-O 3.47Å; R73-Y409 WeakPolarHBondContact O-CD1 3.44Å; R73-Y409 PolarHBondContact O-N 3.01Å; Q75-Y409 HydrophobicContact CG-CD1 3.7Å; Q75-Y409 HydrophobicContact CG-CE1 3.42Å; Q75-Y409 VanDerWaalsContact CG-CE1 3.42Å; F354-Y409 WeakPolarHBondContact CD2-OH 3.38Å; F354-Y409 HydrophobicContact CG-CE1 4.37Å; Y409-A411 HydrophobicContact CD2-CB 3.77Å; Y409-A411 HydrophobicContact CE2-CB 3.39Å |
| 410 | G | 87.2 | Confident | 83.6 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 130.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y472 V473 | G410-Y472 CarbonylContact O-C 3.35Å; G410-Y472 WeakPolarHBondContact O-CA 3.47Å; G410-V473 PolarHBondContact N-O 3.16Å; G410-V473 PolarHBondContact O-N 3.49Å |
| 411 | A | 85.3 | Confident | 84.3 | Confident | 11 Ų | 11 | 49.9 Ų | 49.9 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 157.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y409 I413 Y472 | Y409-A411 HydrophobicContact CD2-CB 3.77Å; Y409-A411 HydrophobicContact CE2-CB 3.39Å; A411-I413 PolarHBondContact O-N 3.37Å; A411-Y472 HydrophobicContact CB-CD1 3.7Å; A411-Y472 HydrophobicContact CB-CE1 3.97Å |
| 412 | D | 78.3 | Confident | 85.3 | Confident | 43 Ų | 43 | 47.6 Ų | 47.6 | 23% | 0.23 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 60.3 | 34.6 | -179.1 | -40.6 | -11.3 | 0 | 0 | 0 | 112.4 | R73 W470 | R73-D412 IonicContact CZ-OD2 2.79Å; R73-D412 IonicContact NH1-OD2 3.6Å; R73-D412 PolarHBondContact NH1-OD2 3.29Å; R73-D412 VanDerWaalsContact NH2-CG 3.29Å; R73-D412 IonicContact NH2-OD2 2.63Å; R73-D412 PolarHBondContact NH2-OD2 3.4Å; D412-W470 HydrophobicContact CB-CD2 4.2Å; D412-W470 HydrophobicContact CB-CE3 3.63Å; D412-W470 HydrophobicContact CB-CH2 3.83Å; D412-W470 HydrophobicContact CB-CZ2 4.36Å; D412-W470 HydrophobicContact CB-CZ3 3.43Å; D412-W470 VanDerWaalsContact CB-CZ3 3.43Å; D412-W470 WeakPolarHBondContact OD1-CZ3 3.32Å |
| 413 | I | 85.1 | Confident | 86.3 | Confident | 14 Ų | 14 | 41.6 Ų | 41.6 | 7% | 0.072 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 105.6 | -179.2 | -57.8 | 172.8 | 0 | 0 | 0 | 107.8 | F68 F70 A411 S415 F418 L471 V473 | F68-I413 HydrophobicContact CZ-CG2 4.14Å; F70-I413 HydrophobicContact CB-CD1 3.88Å; F70-I413 HydrophobicContact CD2-CD1 3.97Å; F70-I413 HydrophobicContact CG-CD1 4.09Å; A411-I413 PolarHBondContact O-N 3.37Å; I413-S415 PolarHBondContact O-N 2.87Å; I413-F418 HydrophobicContact CG2-CB 4.03Å; I413-F418 HydrophobicContact CG2-CD1 4.36Å; I413-F418 HydrophobicContact CG2-CD2 3.33Å; I413-F418 HydrophobicContact CG2-CE2 3.82Å; I413-F418 HydrophobicContact CG2-CG 3.65Å; I413-L471 HydrophobicContact CB-CB 4.1Å; I413-L471 HydrophobicContact CG2-CB 4.39Å; I413-L471 HydrophobicContact CG2-CD1 4.17Å; I413-L471 PolarHBondContact O-N 2.71Å; I413-V473 HydrophobicContact CD1-CG2 4.35Å |
| 414 | S | 85.6 | Confident | 86.9 | Confident | 12 Ų | 12 | 40.2 Ų | 40.2 | 8% | 0.084 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 125.9 | -179.4 | 158.6 | 0 | 0 | 0 | 0 | 112.6 | K416 D417 F418 | S414-K416 PolarHBondContact O-N 3.38Å; S414-K416 PolarHBondContact OG-N 2.71Å; S414-D417 WeakPolarHBondContact CB-OD2 3.39Å; S414-D417 PolarHBondContact O-N 3.37Å; S414-D417 VanDerWaalsContact O-N 3.13Å; S414-D417 PolarHBondContact OG-OD2 3.39Å; S414-F418 PolarHBondContact O-N 3.39Å |
| 415 | S | 85.5 | Confident | 87.1 | Confident | 10 Ų | 10 | 38.4 Ų | 38.4 | 7% | 0.07 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.1 | -21 | 176.7 | 69.7 | 0 | 0 | 0 | 0 | 113.3 | I413 D417 G419 V468 P469 | I413-S415 PolarHBondContact O-N 2.87Å; S415-D417 VanDerWaalsContact C-N 3.29Å; S415-D417 PolarHBondContact O-N 2.93Å; S415-G419 WeakPolarHBondContact CA-O 3.42Å; S415-G419 CarbonylContact O-C 3.51Å; S415-G419 WeakPolarHBondContact O-CA 3.42Å; S415-G419 PolarHBondContact O-N 3.38Å; S415-V468 WeakPolarHBondContact OG-CG1 3.29Å; S415-P469 WeakPolarHBondContact CB-O 3.45Å; S415-P469 PolarHBondContact N-O 3.43Å; S415-P469 PolarHBondContact OG-O 3.43Å |
| 416 | K | 82.8 | Confident | 86.5 | Confident | 136 Ų | 136 | 41.4 Ų | 41.4 | 59% | 0.591 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -69.6 | -24.6 | 175.7 | -170.2 | 167.3 | -171.7 | 165.5 | 0 | 113.1 | S414 D462 V468 | S414-K416 PolarHBondContact O-N 3.38Å; S414-K416 PolarHBondContact OG-N 2.71Å; K416-D462 IonicContact NZ-OD2 2.78Å; K416-D462 PolarHBondContact NZ-OD2 2.68Å; K416-V468 HydrophobicContact CB-CG1 3.75Å; K416-V468 HydrophobicContact CD-CG2 4.36Å |
| 417 | D | 79.5 | Confident | 85.8 | Confident | 99 Ų | 99 | 40.3 Ų | 40.3 | 53% | 0.529 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -102.7 | -26.2 | -177.1 | -57.4 | -74.6 | 0 | 0 | 0 | 112.9 | S414 S415 | S414-D417 WeakPolarHBondContact CB-OD2 3.39Å; S414-D417 PolarHBondContact O-N 3.37Å; S414-D417 VanDerWaalsContact O-N 3.13Å; S414-D417 PolarHBondContact OG-OD2 3.39Å; S415-D417 VanDerWaalsContact C-N 3.29Å; S415-D417 PolarHBondContact O-N 2.93Å |
| 418 | F | 79.4 | Confident | 84.7 | Confident | 95 Ų | 95 | 48.5 Ų | 48.5 | 42% | 0.417 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -121.6 | -2.1 | -174.6 | -63.9 | -91.8 | 0 | 0 | 0 | 114.8 | F68 R69 I413 S414 L471 | F68-F418 HydrophobicContact CD2-CB 4.38Å; F68-F418 HydrophobicContact CE2-CB 3.64Å; F68-F418 HydrophobicContact CZ-CB 3.91Å; F68-F418 HydrophobicContact CZ-CD1 4.44Å; F68-F418 HydrophobicContact CZ-CG 4.38Å; R69-F418 WeakPolarHBondContact O-CD1 3.49Å; R69-F418 WeakPolarHBondContact O-CE1 3.29Å; I413-F418 HydrophobicContact CG2-CB 4.03Å; I413-F418 HydrophobicContact CG2-CD1 4.36Å; I413-F418 HydrophobicContact CG2-CD2 3.33Å; I413-F418 HydrophobicContact CG2-CE2 3.82Å; I413-F418 HydrophobicContact CG2-CG 3.65Å; S414-F418 PolarHBondContact O-N 3.39Å; F418-L471 HydrophobicContact CB-CD1 4.44Å |
| 419 | G | 84.5 | Confident | 83.8 | Confident | 32 Ų | 32 | 52.7 Ų | 52.7 | 33% | 0.33 | 28% | 0.278 | S | S | . | . | trans | 87.4 | 155.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S415 L471 | S415-G419 WeakPolarHBondContact CA-O 3.42Å; S415-G419 CarbonylContact O-C 3.51Å; S415-G419 WeakPolarHBondContact O-CA 3.42Å; S415-G419 PolarHBondContact O-N 3.38Å; G419-L471 WeakPolarHBondContact O-CD1 3.32Å | ||
| 420 | S | 91.9 | Very high | 83.1 | Confident | 6 Ų | 6 | 61.2 Ų | 61.2 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | trans | -86.1 | 155.5 | 169.6 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | C63 F422 N446 E582 | C63-S420 PolarHBondContact SG-O 3.37Å; S420-F422 PolarHBondContact O-N 3.43Å; S420-F422 PolarHBondContact OG-N 3.21Å; S420-N446 PolarHBondContact OG-ND2 2.86Å; S420-E582 WeakPolarHBondContact CB-OE1 3.33Å; S420-E582 VanDerWaalsContact OG-CD 3.24Å; S420-E582 PolarHBondContact OG-OE1 3.49Å; S420-E582 PolarHBondContact OG-OE2 2.8Å | ||
| 421 | G | 92.4 | Very high | 82.7 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -69.1 | -23.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F61 A62 E582 | F61-G421 WeakPolarHBondContact CA-O 3.43Å; A62-G421 PolarHBondContact N-O 3.28Å; G421-E582 WeakPolarHBondContact CA-OE2 3.41Å; G421-E582 PolarHBondContact N-OE2 2.88Å |
| 422 | F | 94.8 | Very high | 82.7 | Confident | 3 Ų | 3 | 67.5 Ų | 67.5 | 1% | 0.013 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -87.5 | 153.3 | 174.2 | -64.7 | -84.4 | 0 | 0 | 0 | 112.7 | W57 P59 S420 N444 L445 Y494 H496 E582 | W57-F422 AromaticContact CH2-CE1 3.95Å; W57-F422 HydrophobicContact CH2-CE1 3.95Å; P59-F422 HydrophobicContact CB-CD1 4.1Å; P59-F422 HydrophobicContact CB-CE1 4.26Å; P59-F422 HydrophobicContact CG-CD1 4.32Å; P59-F422 HydrophobicContact CG-CE1 3.99Å; S420-F422 PolarHBondContact O-N 3.43Å; S420-F422 PolarHBondContact OG-N 3.21Å; F422-N444 WeakPolarHBondContact CB-OD1 3.38Å; F422-N444 HydrophobicContact CD1-CB 4.47Å; F422-L445 HydrophobicContact CE2-CB 4.13Å; F422-L445 HydrophobicContact CE2-CD1 4.28Å; F422-L445 HydrophobicContact CE2-CG 3.79Å; F422-L445 HydrophobicContact CZ-CG 4.3Å; F422-Y494 HydrophobicContact CE1-CD1 4.04Å; F422-Y494 HydrophobicContact CE1-CE1 4.03Å; F422-Y494 HydrophobicContact CE2-CD1 4.03Å; F422-Y494 HydrophobicContact CE2-CG 4.48Å; F422-Y494 AromaticContact CZ-CD1 3.36Å; F422-Y494 HydrophobicContact CZ-CD1 3.36Å; F422-Y494 AromaticContact CZ-CE1 3.84Å; F422-Y494 HydrophobicContact CZ-CE1 3.84Å; F422-Y494 AromaticContact CZ-CG 3.77Å; F422-Y494 HydrophobicContact CZ-CG 3.77Å; F422-H496 AromaticContact CD2-CE1 3.59Å; F422-H496 AromaticContact CD2-NE2 3.78Å; F422-H496 AromaticContact CE2-CE1 3.56Å; F422-H496 AromaticContact CE2-NE2 3.63Å; F422-H496 AromaticContact CG-CE1 3.84Å; F422-H496 AromaticContact CZ-CE1 3.81Å; F422-E582 WeakPolarHBondContact CD2-OE2 3.49Å |
| 423 | P | 92.4 | Very high | 82.9 | Confident | 5 Ų | 5 | 70.9 Ų | 70.9 | 3% | 0.032 | 37% | 0.37 | C | S | . | . | trans | -62.7 | 143 | 166.3 | -21.1 | 34 | 0 | 0 | 0 | 112.3 | P60 M431 E435 A439 N444 | P60-P423 HydrophobicContact CG-CG 3.98Å; P423-M431 HydrophobicContact CB-CE 4.16Å; P423-M431 HydrophobicContact CB-SD 4.36Å; P423-E435 HydrophobicContact CB-CB 4.11Å; P423-E435 HydrophobicContact CG-CB 4.16Å; P423-E435 HydrophobicContact CG-CG 4.36Å; P423-A439 HydrophobicContact CB-CB 4.25Å; P423-N444 PolarHBondContact O-ND2 3.49Å | ||
| 424 | I | 88.6 | Confident | 82.7 | Confident | 62 Ų | 62 | 77.5 Ų | 77.5 | 32% | 0.318 | 40% | 0.401 | S | S | . | . | trans | -134 | 143.9 | 177.9 | -55.2 | 178.2 | 0 | 0 | 0 | 109.5 | D426 N446 | I424-D426 VanDerWaalsContact C-N 3.29Å; I424-D426 HydrophobicContact CG2-CB 4.1Å; I424-D426 PolarHBondContact O-N 3.4Å; I424-D426 VanDerWaalsContact O-N 3.17Å; I424-N446 HydrophobicContact CD1-CB 4.2Å; I424-N446 VanDerWaalsContact CD1-CG 3.47Å; I424-N446 WeakPolarHBondContact CD1-OD1 3.46Å; I424-N446 HydrophobicContact CG1-CB 4.43Å | ||
| 425 | K | 84.1 | Confident | 82.9 | Confident | 98 Ų | 98 | 77.4 Ų | 77.4 | 43% | 0.426 | 40% | 0.399 | S | S | . | . | trans | -85.1 | 62.3 | 171 | -69.8 | -178.6 | 170.6 | -173.5 | 0 | 112 | M431 E436 A439 L440 | K425-M431 HydrophobicContact CG-CG 4.23Å; K425-E436 WeakPolarHBondContact CE-OE1 3.4Å; K425-E436 IonicContact NZ-OE1 3.13Å; K425-E436 PolarHBondContact NZ-OE1 2.71Å; K425-A439 HydrophobicContact CG-CB 4.19Å; K425-L440 HydrophobicContact CD-CD2 4.13Å | ||
| 426 | D | 75.8 | Confident | 83.1 | Confident | 81 Ų | 81 | 81 Ų | 81 | 43% | 0.433 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -91 | -13.3 | -178.3 | 74.9 | -17.4 | 0 | 0 | 0 | 114.4 | I424 Q428 | I424-D426 VanDerWaalsContact C-N 3.29Å; I424-D426 HydrophobicContact CG2-CB 4.1Å; I424-D426 PolarHBondContact O-N 3.4Å; I424-D426 VanDerWaalsContact O-N 3.17Å; D426-Q428 WeakPolarHBondContact OD1-CB 3.26Å; D426-Q428 PolarHBondContact OD1-N 3.44Å; D426-Q428 WeakPolarHBondContact OD2-CB 3.41Å; D426-Q428 VanDerWaalsContact OD2-CD 3.26Å; D426-Q428 VanDerWaalsContact OD2-CG 3.22Å; D426-Q428 WeakPolarHBondContact OD2-CG 3.37Å; D426-Q428 PolarHBondContact OD2-NE2 3.09Å |
| 427 | G | 73.6 | Confident | 83.4 | Confident | 73 Ų | 73 | 80.1 Ų | 80.1 | 75% | 0.753 | 41% | 0.412 | S | S | * | . | S | Bend | trans | 88.1 | -6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 428 | Q | 70 | Confident | 84.1 | Confident | 175 Ų | 175 | 76.6 Ų | 76.6 | 82% | 0.818 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -76.5 | -30.8 | 177.2 | -63.2 | -173.3 | 62.5 | 0 | 0 | 112.3 | D426 | D426-Q428 WeakPolarHBondContact OD1-CB 3.26Å; D426-Q428 PolarHBondContact OD1-N 3.44Å; D426-Q428 WeakPolarHBondContact OD2-CB 3.41Å; D426-Q428 VanDerWaalsContact OD2-CD 3.26Å; D426-Q428 VanDerWaalsContact OD2-CG 3.22Å; D426-Q428 WeakPolarHBondContact OD2-CG 3.37Å; D426-Q428 PolarHBondContact OD2-NE2 3.09Å |
| 429 | R | 72.3 | Confident | 84.8 | Confident | 127 Ų | 127 | 72.3 Ų | 72.3 | 48% | 0.479 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -119 | 138.8 | -179.4 | 179.9 | 169.7 | 168.8 | 157.1 | -8.7 | 111.2 | A62 M431 E435 | A62-R429 PolarHBondContact O-NH1 3.42Å; R429-M431 PolarHBondContact O-N 3.35Å; R429-M431 VanDerWaalsContact O-N 3.1Å; R429-E435 IonicContact CZ-OE1 2.81Å; R429-E435 IonicContact NE-OE1 3.93Å; R429-E435 IonicContact NH2-OE1 3.74Å; R429-E435 PolarHBondContact NH2-OE1 3.29Å |
| 430 | K | 75.5 | Confident | 85.1 | Confident | 202 Ų | 202 | 76.1 Ų | 76.1 | 88% | 0.878 | 39% | 0.386 | S | S | * | . | trans | -72.6 | 101.6 | 166.5 | -79.9 | -174.6 | 176.7 | 176.8 | 0 | 109.1 | ||||
| 431 | M | 79.6 | Confident | 85.3 | Confident | 47 Ų | 47 | 76.9 Ų | 76.9 | 23% | 0.232 | 39% | 0.392 | C | S | . | . | trans | -50.4 | 134.4 | 172.2 | -71.7 | -66.4 | -61.9 | 0 | 0 | 112.2 | P423 K425 R429 E435 E436 A439 | P423-M431 HydrophobicContact CB-CE 4.16Å; P423-M431 HydrophobicContact CB-SD 4.36Å; K425-M431 HydrophobicContact CG-CG 4.23Å; R429-M431 PolarHBondContact O-N 3.35Å; R429-M431 VanDerWaalsContact O-N 3.1Å; M431-E435 HydrophobicContact CE-CB 3.47Å; M431-E435 VanDerWaalsContact CE-CB 3.47Å; M431-E435 WeakPolarHBondContact CE-O 3.43Å; M431-E435 HydrophobicContact SD-CB 4.35Å; M431-E436 HydrophobicContact CE-CB 4.37Å; M431-A439 HydrophobicContact CE-CB 3.41Å; M431-A439 VanDerWaalsContact CE-CB 3.41Å; M431-A439 HydrophobicContact SD-CB 4.41Å | ||
| 432 | L | 84.4 | Confident | 85.4 | Confident | 98 Ų | 98 | 77.5 Ų | 77.5 | 51% | 0.513 | 40% | 0.398 | S | S | . | . | trans | -82 | 151.4 | 164.3 | -55.8 | 177 | 0 | 0 | 0 | 110 | E434 E435 E436 | L432-E434 PolarHBondContact O-N 2.94Å; L432-E435 HydrophobicContact CB-CB 4.39Å; L432-E435 HydrophobicContact CB-CG 3.98Å; L432-E435 HydrophobicContact CD1-CG 4.48Å; L432-E435 HydrophobicContact CG-CG 4.44Å; L432-E435 PolarHBondContact N-OE2 3.12Å; L432-E435 WeakPolarHBondContact O-CB 3.22Å; L432-E435 PolarHBondContact O-N 3Å; L432-E436 PolarHBondContact O-N 3.27Å; L432-E436 VanDerWaalsContact O-N 3.12Å | ||
| 433 | P | 82.2 | Confident | 85.5 | Confident | 114 Ų | 114 | 77.3 Ų | 77.3 | 74% | 0.74 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -59.2 | -29.2 | 176.9 | -25.2 | 35.1 | 0 | 0 | 0 | 113.9 | E436 | P433-E436 PolarHBondContact O-N 3.15Å |
| 434 | E | 82.4 | Confident | 85.6 | Confident | 153 Ų | 153 | 77.1 Ų | 77.1 | 72% | 0.715 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -74.5 | -27.7 | 175.5 | -173 | 171.6 | -164.9 | 0 | 0 | 112.4 | L432 Y438 | L432-E434 PolarHBondContact O-N 2.94Å; E434-Y438 VanDerWaalsContact O-CD2 3.26Å; E434-Y438 WeakPolarHBondContact O-CD2 3.33Å |
| 435 | E | 89.7 | Confident | 86 | Confident | 9 Ų | 9 | 74.2 Ų | 74.2 | 4% | 0.042 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -78.5 | -24.5 | 173 | -64.4 | 170.2 | 153.3 | 0 | 0 | 111.7 | P60 P423 R429 M431 L432 E437 Y438 A439 | P60-E435 HydrophobicContact CG-CG 3.9Å; P423-E435 HydrophobicContact CB-CB 4.11Å; P423-E435 HydrophobicContact CG-CB 4.16Å; P423-E435 HydrophobicContact CG-CG 4.36Å; R429-E435 IonicContact CZ-OE1 2.81Å; R429-E435 IonicContact NE-OE1 3.93Å; R429-E435 IonicContact NH2-OE1 3.74Å; R429-E435 PolarHBondContact NH2-OE1 3.29Å; M431-E435 HydrophobicContact CE-CB 3.47Å; M431-E435 VanDerWaalsContact CE-CB 3.47Å; M431-E435 WeakPolarHBondContact CE-O 3.43Å; M431-E435 HydrophobicContact SD-CB 4.35Å; L432-E435 HydrophobicContact CB-CB 4.39Å; L432-E435 HydrophobicContact CB-CG 3.98Å; L432-E435 HydrophobicContact CD1-CG 4.48Å; L432-E435 HydrophobicContact CG-CG 4.44Å; L432-E435 PolarHBondContact N-OE2 3.12Å; L432-E435 WeakPolarHBondContact O-CB 3.22Å; L432-E435 PolarHBondContact O-N 3Å; E435-E437 PolarHBondContact O-N 3.25Å; E435-Y438 PolarHBondContact O-N 2.85Å; E435-A439 WeakPolarHBondContact O-CB 3.45Å; E435-A439 PolarHBondContact O-N 3.48Å |
| 436 | E | 88.6 | Confident | 86.4 | Confident | 86 Ų | 86 | 70.8 Ų | 70.8 | 40% | 0.402 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.7 | -35 | -171.4 | 179.5 | 157.1 | -144 | 0 | 0 | 113.7 | K425 M431 L432 P433 L440 | K425-E436 WeakPolarHBondContact CE-OE1 3.4Å; K425-E436 IonicContact NZ-OE1 3.13Å; K425-E436 PolarHBondContact NZ-OE1 2.71Å; M431-E436 HydrophobicContact CE-CB 4.37Å; L432-E436 PolarHBondContact O-N 3.27Å; L432-E436 VanDerWaalsContact O-N 3.12Å; P433-E436 PolarHBondContact O-N 3.15Å; E436-L440 HydrophobicContact CG-CD1 4.23Å; E436-L440 WeakPolarHBondContact O-CG 3.3Å; E436-L440 PolarHBondContact O-N 3.42Å |
| 437 | E | 90.6 | Very high | 87.3 | Confident | 117 Ų | 117 | 69 Ų | 69 | 55% | 0.547 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.1 | -47.6 | 173.2 | -172.4 | 179.3 | 145.7 | 0 | 0 | 111.2 | E435 L440 S441 | E435-E437 PolarHBondContact O-N 3.25Å; E437-L440 PolarHBondContact O-N 3.04Å; E437-S441 PolarHBondContact O-N 3.17Å |
| 438 | Y | 94.1 | Very high | 88.3 | Confident | 25 Ų | 25 | 65.5 Ų | 65.5 | 10% | 0.098 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -71.8 | -30.7 | -179.9 | -60.6 | -75 | 0 | 0 | 0 | 113.1 | W57 Q58 P59 E434 E435 L440 N444 | W57-Y438 AromaticContact CD1-CD1 3.95Å; W57-Y438 AromaticContact CD1-CE1 3.49Å; W57-Y438 VanDerWaalsContact CD1-CE1 3.49Å; W57-Y438 HydrophobicContact CD2-CD1 4.43Å; W57-Y438 HydrophobicContact CD2-CE1 4.12Å; W57-Y438 AromaticContact CE2-CD1 3.83Å; W57-Y438 AromaticContact CE2-CE1 3.96Å; W57-Y438 AromaticContact CG-CE1 3.86Å; W57-Y438 HydrophobicContact CG-CE1 3.86Å; W57-Y438 HydrophobicContact CZ2-CD1 4.27Å; W57-Y438 AromaticContact NE1-CD1 3.5Å; W57-Y438 AromaticContact NE1-CE1 3.55Å; Q58-Y438 PolarHBondContact N-OH 3.18Å; Q58-Y438 PolarHBondContact O-OH 3.37Å; P59-Y438 HydrophobicContact CB-CD1 3.58Å; P59-Y438 HydrophobicContact CB-CE1 4.14Å; P59-Y438 HydrophobicContact CB-CG 3.88Å; P59-Y438 HydrophobicContact CG-CD1 4.38Å; E434-Y438 VanDerWaalsContact O-CD2 3.26Å; E434-Y438 WeakPolarHBondContact O-CD2 3.33Å; E435-Y438 PolarHBondContact O-N 2.85Å; Y438-L440 VanDerWaalsContact C-N 3.3Å; Y438-L440 PolarHBondContact O-N 3.16Å; Y438-N444 WeakPolarHBondContact O-CB 3.44Å; Y438-N444 PolarHBondContact O-ND2 3.18Å |
| 439 | A | 92.8 | Very high | 89.2 | Confident | 5 Ų | 5 | 57.2 Ų | 57.2 | 4% | 0.041 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.1 | -26.1 | 173 | 0 | 0 | 0 | 0 | 0 | 113.4 | P423 K425 M431 E435 N447 | P423-A439 HydrophobicContact CB-CB 4.25Å; K425-A439 HydrophobicContact CG-CB 4.19Å; M431-A439 HydrophobicContact CE-CB 3.41Å; M431-A439 VanDerWaalsContact CE-CB 3.41Å; M431-A439 HydrophobicContact SD-CB 4.41Å; E435-A439 WeakPolarHBondContact O-CB 3.45Å; E435-A439 PolarHBondContact O-N 3.48Å; A439-N447 PolarHBondContact O-ND2 3.39Å |
| 440 | L | 92.3 | Very high | 90.1 | Very high | 112 Ų | 112 | 55 Ų | 55 | 59% | 0.586 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -96.5 | -13.4 | 178.5 | -67.8 | 177.9 | 0 | 0 | 0 | 113.9 | K425 E436 E437 Y438 | K425-L440 HydrophobicContact CD-CD2 4.13Å; E436-L440 HydrophobicContact CG-CD1 4.23Å; E436-L440 WeakPolarHBondContact O-CG 3.3Å; E436-L440 PolarHBondContact O-N 3.42Å; E437-L440 PolarHBondContact O-N 3.04Å; Y438-L440 VanDerWaalsContact C-N 3.3Å; Y438-L440 PolarHBondContact O-N 3.16Å |
| 441 | S | 94.5 | Very high | 90.8 | Very high | 23 Ų | 23 | 47.5 Ų | 47.5 | 16% | 0.161 | 25% | 0.253 | C | S | . | . | trans | -62.4 | 138.4 | -179.9 | -173.6 | 0 | 0 | 0 | 0 | 112.4 | E437 W443 N444 N447 | E437-S441 PolarHBondContact O-N 3.17Å; S441-W443 PolarHBondContact O-N 3.34Å; S441-W443 PolarHBondContact OG-N 3.48Å; S441-N444 WeakPolarHBondContact O-CB 3.48Å; S441-N444 PolarHBondContact O-N 3.28Å; S441-N444 VanDerWaalsContact O-N 3.14Å; S441-N447 PolarHBondContact O-ND2 2.85Å | ||
| 442 | G | 94.5 | Very high | 91.2 | Very high | 12 Ų | 12 | 51.5 Ų | 51.5 | 12% | 0.124 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -17.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | P32 N444 M448 | P32-G442 VanDerWaalsContact CG-C 3.44Å; P32-G442 WeakPolarHBondContact CG-O 3.46Å; G442-N444 VanDerWaalsContact C-N 3.31Å; G442-M448 WeakPolarHBondContact O-CE 3.27Å |
| 443 | W | 97 | Very high | 91.4 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -6.4 | 174.7 | -67.4 | 94.5 | 0 | 0 | 0 | 113.5 | F29 P32 F35 I51 W57 S441 L445 M448 I492 F562 | F29-W443 AromaticContact CD1-CD1 3.85Å; F29-W443 AromaticContact CD1-NE1 3.87Å; F29-W443 AromaticContact CD2-CD1 3.9Å; F29-W443 HydrophobicContact CD2-CD2 4.14Å; F29-W443 AromaticContact CD2-CE2 3.46Å; F29-W443 VanDerWaalsContact CD2-CE2 3.46Å; F29-W443 HydrophobicContact CD2-CG 4.4Å; F29-W443 AromaticContact CD2-CZ2 3.76Å; F29-W443 HydrophobicContact CD2-CZ2 3.76Å; F29-W443 AromaticContact CD2-NE1 3.3Å; F29-W443 VanDerWaalsContact CD2-NE1 3.3Å; F29-W443 AromaticContact CE1-CD1 3.52Å; F29-W443 HydrophobicContact CE1-CG 4.03Å; F29-W443 AromaticContact CE1-NE1 3.92Å; F29-W443 AromaticContact CE2-CD1 3.58Å; F29-W443 AromaticContact CE2-CD2 3.5Å; F29-W443 HydrophobicContact CE2-CD2 3.5Å; F29-W443 AromaticContact CE2-CE2 3.33Å; F29-W443 HydrophobicContact CE2-CE3 4.17Å; F29-W443 AromaticContact CE2-CG 3.68Å; F29-W443 HydrophobicContact CE2-CG 3.68Å; F29-W443 AromaticContact CE2-CZ2 3.88Å; F29-W443 HydrophobicContact CE2-CZ2 3.88Å; F29-W443 AromaticContact CE2-NE1 3.37Å; F29-W443 AromaticContact CG-NE1 3.56Å; F29-W443 HydrophobicContact CZ-CB 4.02Å; F29-W443 AromaticContact CZ-CD1 3.37Å; F29-W443 AromaticContact CZ-CD2 3.82Å; F29-W443 HydrophobicContact CZ-CD2 3.82Å; F29-W443 AromaticContact CZ-CE2 3.97Å; F29-W443 AromaticContact CZ-CG 3.47Å; F29-W443 HydrophobicContact CZ-CG 3.47Å; F29-W443 VanDerWaalsContact CZ-CG 3.47Å; F29-W443 AromaticContact CZ-NE1 3.68Å; F29-W443 VanDerWaalsContact O-CD1 3.29Å; F29-W443 PolarHBondContact O-NE1 3.38Å; P32-W443 HydrophobicContact CB-CD2 3.98Å; P32-W443 HydrophobicContact CB-CE3 4.34Å; P32-W443 HydrophobicContact CB-CH2 4.16Å; P32-W443 HydrophobicContact CB-CZ2 3.78Å; P32-W443 HydrophobicContact CB-CZ3 4.43Å; P32-W443 HydrophobicContact CG-CD2 4.01Å; P32-W443 HydrophobicContact CG-CG 4.04Å; P32-W443 HydrophobicContact CG-CZ2 4.4Å; F35-W443 HydrophobicContact CD1-CH2 4.16Å; F35-W443 HydrophobicContact CD1-CZ2 4.24Å; I51-W443 HydrophobicContact CD1-CH2 3.89Å; I51-W443 HydrophobicContact CD1-CZ3 4.17Å; I51-W443 HydrophobicContact CG2-CH2 4.05Å; I51-W443 HydrophobicContact CG2-CZ3 4.37Å; W57-W443 HydrophobicContact CH2-CB 3.98Å; W57-W443 HydrophobicContact CZ2-CB 3.77Å; S441-W443 PolarHBondContact O-N 3.34Å; S441-W443 PolarHBondContact OG-N 3.48Å; W443-L445 PolarHBondContact O-N 2.7Å; W443-M448 HydrophobicContact CE3-CE 4.38Å; W443-I492 HydrophobicContact CE3-CD1 4.18Å; W443-I492 HydrophobicContact CZ3-CD1 3.99Å; W443-F562 HydrophobicContact CB-CE2 4.25Å; W443-F562 HydrophobicContact CB-CZ 3.88Å; W443-F562 HydrophobicContact CD2-CE2 4.3Å; W443-F562 HydrophobicContact CD2-CZ 4.47Å; W443-F562 HydrophobicContact CE3-CD1 4.36Å; W443-F562 AromaticContact CE3-CD2 3.89Å; W443-F562 HydrophobicContact CE3-CD2 3.89Å; W443-F562 HydrophobicContact CE3-CE1 4.17Å; W443-F562 AromaticContact CE3-CE2 3.69Å; W443-F562 HydrophobicContact CE3-CE2 3.69Å; W443-F562 HydrophobicContact CE3-CG 4.22Å; W443-F562 AromaticContact CE3-CZ 3.84Å; W443-F562 HydrophobicContact CE3-CZ 3.84Å; W443-F562 HydrophobicContact CZ3-CD2 4.2Å; W443-F562 HydrophobicContact CZ3-CE2 4.46Å; W443-F562 HydrophobicContact CZ3-CG 4.33Å; W443-F562 WeakPolarHBondContact O-CZ 3.42Å |
| 444 | N | 96.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -69.7 | 120.6 | 164.5 | -173.6 | -35.4 | 0 | 0 | 0 | 108.4 | F422 P423 Y438 S441 G442 N446 N447 M448 | F422-N444 WeakPolarHBondContact CB-OD1 3.38Å; F422-N444 HydrophobicContact CD1-CB 4.47Å; P423-N444 PolarHBondContact O-ND2 3.49Å; Y438-N444 WeakPolarHBondContact O-CB 3.44Å; Y438-N444 PolarHBondContact O-ND2 3.18Å; S441-N444 WeakPolarHBondContact O-CB 3.48Å; S441-N444 PolarHBondContact O-N 3.28Å; S441-N444 VanDerWaalsContact O-N 3.14Å; G442-N444 VanDerWaalsContact C-N 3.31Å; N444-N446 PolarHBondContact O-N 2.78Å; N444-N446 VanDerWaalsContact O-N 3.08Å; N444-N446 PolarHBondContact OD1-N 3.05Å; N444-N446 PolarHBondContact OD1-ND2 3.34Å; N444-N447 WeakPolarHBondContact O-CB 3.27Å; N444-N447 PolarHBondContact O-N 3.34Å; N444-M448 PolarHBondContact O-N 3.44Å |
| 445 | L | 96 | Very high | 92.3 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -14.4 | -170.1 | -61.8 | -169.5 | 0 | 0 | 0 | 113.9 | F422 W443 N447 M448 P449 P469 I492 F562 E582 V584 | F422-L445 HydrophobicContact CE2-CB 4.13Å; F422-L445 HydrophobicContact CE2-CD1 4.28Å; F422-L445 HydrophobicContact CE2-CG 3.79Å; F422-L445 HydrophobicContact CZ-CG 4.3Å; W443-L445 PolarHBondContact O-N 2.7Å; L445-N447 VanDerWaalsContact C-N 3.35Å; L445-M448 HydrophobicContact CD2-CE 4.43Å; L445-P449 VanDerWaalsContact O-CD 3.29Å; L445-P449 WeakPolarHBondContact O-CD 3.46Å; L445-P469 HydrophobicContact CB-CB 4.48Å; L445-P469 HydrophobicContact CB-CG 4.01Å; L445-P469 WeakPolarHBondContact O-CG 3.49Å; L445-I492 HydrophobicContact CD2-CD1 4.18Å; L445-I492 HydrophobicContact CD2-CG1 4.22Å; L445-I492 HydrophobicContact CD2-CG2 3.55Å; L445-F562 HydrophobicContact CD2-CE1 3.98Å; L445-E582 HydrophobicContact CD1-CG 4.32Å; L445-E582 VanDerWaalsContact CD1-O 3.31Å; L445-E582 WeakPolarHBondContact CD1-O 3.32Å; L445-V584 HydrophobicContact CB-CB 4.37Å; L445-V584 HydrophobicContact CB-CG1 3.91Å; L445-V584 HydrophobicContact CD2-CG1 4.19Å; L445-V584 HydrophobicContact CG-CG1 4.43Å |
| 446 | N | 93.3 | Very high | 92.4 | Very high | 27 Ų | 27 | 35.9 Ų | 35.9 | 14% | 0.144 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -25.5 | 171 | -54.5 | -82.9 | 0 | 0 | 0 | 112.4 | S420 I424 N444 P469 | S420-N446 PolarHBondContact OG-ND2 2.86Å; I424-N446 HydrophobicContact CD1-CB 4.2Å; I424-N446 VanDerWaalsContact CD1-CG 3.47Å; I424-N446 WeakPolarHBondContact CD1-OD1 3.46Å; I424-N446 HydrophobicContact CG1-CB 4.43Å; N444-N446 PolarHBondContact O-N 2.78Å; N444-N446 VanDerWaalsContact O-N 3.08Å; N444-N446 PolarHBondContact OD1-N 3.05Å; N444-N446 PolarHBondContact OD1-ND2 3.34Å; N446-P469 WeakPolarHBondContact OD1-CD 3.36Å |
| 447 | N | 93.9 | Very high | 92.2 | Very high | 42 Ų | 42 | 33.6 Ų | 33.6 | 23% | 0.225 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -31.1 | -179.5 | -65.1 | -21.7 | 0 | 0 | 0 | 112.3 | A439 S441 N444 L445 V450 L451 | A439-N447 PolarHBondContact O-ND2 3.39Å; S441-N447 PolarHBondContact O-ND2 2.85Å; N444-N447 WeakPolarHBondContact O-CB 3.27Å; N444-N447 PolarHBondContact O-N 3.34Å; L445-N447 VanDerWaalsContact C-N 3.35Å; N447-V450 WeakPolarHBondContact O-CG2 2.95Å; N447-V450 PolarHBondContact O-N 3.3Å; N447-L451 PolarHBondContact O-N 2.66Å |
| 448 | M | 93.6 | Very high | 92 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -57.8 | -39.5 | -172.4 | -166.8 | 166.2 | -63.3 | 0 | 0 | 115 | P32 L33 G442 W443 N444 L445 V450 L451 I492 F586 | P32-M448 HydrophobicContact CB-CE 3.6Å; P32-M448 HydrophobicContact CG-CE 3.99Å; L33-M448 HydrophobicContact CD2-CG 4.24Å; L33-M448 HydrophobicContact CD2-SD 4.33Å; G442-M448 WeakPolarHBondContact O-CE 3.27Å; W443-M448 HydrophobicContact CE3-CE 4.38Å; N444-M448 PolarHBondContact O-N 3.44Å; L445-M448 HydrophobicContact CD2-CE 4.43Å; M448-V450 PolarHBondContact O-N 3.01Å; M448-L451 HydrophobicContact CG-CD1 4.28Å; M448-I492 HydrophobicContact CE-CD1 3.87Å; M448-I492 HydrophobicContact SD-CD1 4.1Å; M448-I492 HydrophobicContact SD-CG2 3.79Å; M448-F586 HydrophobicContact SD-CD1 4.15Å; M448-F586 HydrophobicContact SD-CE1 4.34Å; M448-F586 HydrophobicContact SD-CG 4.35Å |
| 449 | P | 90.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -66.3 | -18.3 | 176 | -23.4 | 35.6 | 0 | 0 | 0 | 114.8 | L445 S454 L456 A457 M466 K467 V584 | L445-P449 VanDerWaalsContact O-CD 3.29Å; L445-P449 WeakPolarHBondContact O-CD 3.46Å; P449-S454 VanDerWaalsContact O-CB 3.28Å; P449-S454 WeakPolarHBondContact O-CB 3.33Å; P449-S454 PolarHBondContact O-OG 3.17Å; P449-L456 HydrophobicContact CB-CB 4.41Å; P449-L456 HydrophobicContact CB-CD1 4.41Å; P449-L456 CarbonylContact O-C 3.53Å; P449-A457 PolarHBondContact O-N 3.3Å; P449-M466 WeakPolarHBondContact CG-O 3.21Å; P449-K467 HydrophobicContact CB-CG 4.22Å; P449-V584 HydrophobicContact CG-CG1 4.41Å; P449-V584 HydrophobicContact CG-CG2 3.65Å |
| 450 | V | 89.6 | Confident | 90.4 | Very high | 82 Ų | 82 | 35.4 Ų | 35.4 | 50% | 0.497 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -112.5 | 9.7 | -175.3 | -61.7 | 0 | 0 | 0 | 0 | 114.1 | N447 M448 | N447-V450 WeakPolarHBondContact O-CG2 2.95Å; N447-V450 PolarHBondContact O-N 3.3Å; M448-V450 PolarHBondContact O-N 3.01Å |
| 451 | L | 91.3 | Very high | 89.5 | Confident | 44 Ų | 44 | 34.8 Ų | 34.8 | 23% | 0.23 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -65.5 | 148.1 | 168 | -65.6 | 173.7 | 0 | 0 | 0 | 110.7 | P32 L33 N447 M448 Q453 S454 | P32-L451 HydrophobicContact CG-CD1 4.26Å; L33-L451 HydrophobicContact CD1-CB 3.84Å; L33-L451 HydrophobicContact CD1-CD1 3.81Å; L33-L451 HydrophobicContact CD1-CG 4.46Å; L33-L451 HydrophobicContact CG-CD1 3.93Å; N447-L451 PolarHBondContact O-N 2.66Å; M448-L451 HydrophobicContact CG-CD1 4.28Å; L451-Q453 PolarHBondContact O-N 3.22Å; L451-S454 WeakPolarHBondContact O-CA 3.49Å; L451-S454 WeakPolarHBondContact O-CB 3.36Å; L451-S454 PolarHBondContact O-N 3.24Å |
| 452 | E | 87.5 | Confident | 88.4 | Confident | 130 Ų | 130 | 37.5 Ų | 37.5 | 61% | 0.607 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -19.6 | -176.4 | -55.8 | -72.9 | -174 | 0 | 0 | 114.5 | L631 | E452-L631 WeakPolarHBondContact O-CD1 3.09Š|
| 453 | Q | 87.9 | Confident | 87.6 | Confident | 45 Ų | 45 | 38 Ų | 38 | 21% | 0.21 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -6.1 | 174.2 | -64.4 | -176.4 | -1.9 | 0 | 0 | 113.6 | L33 S34 L451 | L33-Q453 HydrophobicContact CB-CB 4.14Å; L33-Q453 VanDerWaalsContact CB-OE1 3.24Å; L33-Q453 HydrophobicContact CD1-CB 3.85Å; S34-Q453 PolarHBondContact OG-NE2 3.33Å; L451-Q453 PolarHBondContact O-N 3.22Å |
| 454 | S | 92.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -84.7 | 122.9 | 177.4 | 175.8 | 0 | 0 | 0 | 0 | 110.6 | P449 L451 L456 A457 C587 | P449-S454 VanDerWaalsContact O-CB 3.28Å; P449-S454 WeakPolarHBondContact O-CB 3.33Å; P449-S454 PolarHBondContact O-OG 3.17Å; L451-S454 WeakPolarHBondContact O-CA 3.49Å; L451-S454 WeakPolarHBondContact O-CB 3.36Å; L451-S454 PolarHBondContact O-N 3.24Å; S454-L456 PolarHBondContact O-N 3.14Å; S454-L456 PolarHBondContact OG-N 3.2Å; S454-A457 WeakPolarHBondContact O-CB 3.29Å; S454-A457 PolarHBondContact O-N 3.07Å; S454-C587 WeakPolarHBondContact CA-O 3.49Å | ||
| 455 | V | 92.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -59.9 | -28.4 | 172.8 | -174.9 | 0 | 0 | 0 | 0 | 111.3 | A457 H458 C587 T588 W591 L592 L616 M620 L631 | V455-A457 PolarHBondContact O-N 3.47Å; V455-H458 PolarHBondContact O-N 3.39Å; V455-C587 HydrophobicContact CB-CB 3.82Å; V455-C587 HydrophobicContact CG2-CB 4.11Å; V455-C587 WeakPolarHBondContact CG2-O 3.19Å; V455-C587 PolarHBondContact N-O 2.72Å; V455-T588 WeakPolarHBondContact CG2-O 3.48Å; V455-W591 HydrophobicContact CG1-CZ3 4.07Å; V455-W591 HydrophobicContact CG2-CE3 4.39Å; V455-L592 HydrophobicContact CG1-CD2 3.94Å; V455-L592 HydrophobicContact CG2-CD2 4.18Å; V455-L592 HydrophobicContact CG2-CG 4.2Å; V455-L616 HydrophobicContact CG1-CD1 3.96Å; V455-L616 HydrophobicContact CG1-CD2 3.71Å; V455-L616 HydrophobicContact CG1-CG 3.84Å; V455-M620 HydrophobicContact CG1-CE 3.96Å; V455-M620 HydrophobicContact CG1-SD 3.71Å; V455-M620 HydrophobicContact CG2-CE 4.3Å; V455-L631 HydrophobicContact CG2-CD2 3.66Å |
| 456 | L | 90.4 | Very high | 84.7 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -72.4 | -14 | -177.8 | -54.6 | -176.6 | 0 | 0 | 0 | 113.6 | P449 S454 H458 I459 M466 K467 N585 C587 | P449-L456 HydrophobicContact CB-CB 4.41Å; P449-L456 HydrophobicContact CB-CD1 4.41Å; P449-L456 CarbonylContact O-C 3.53Å; S454-L456 PolarHBondContact O-N 3.14Å; S454-L456 PolarHBondContact OG-N 3.2Å; L456-H458 PolarHBondContact O-N 2.83Å; L456-I459 HydrophobicContact CD2-CD1 3.76Å; L456-I459 PolarHBondContact O-N 3.22Å; L456-M466 HydrophobicContact CD1-CB 4.16Å; L456-M466 HydrophobicContact CD1-CE 4.36Å; L456-M466 WeakPolarHBondContact CD1-O 3.33Å; L456-M466 HydrophobicContact CD2-CE 4.14Å; L456-K467 HydrophobicContact CB-CG 4.38Å; L456-N585 WeakPolarHBondContact CD1-O 3.44Å; L456-C587 HydrophobicContact CD2-CB 4.23Å; L456-C587 HydrophobicContact CG-CB 4.25Å |
| 457 | A | 85.9 | Confident | 84.3 | Confident | 39 Ų | 39 | 41.1 Ų | 41.1 | 32% | 0.322 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -59.8 | -29.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P449 S454 V455 I459 | P449-A457 PolarHBondContact O-N 3.3Å; S454-A457 WeakPolarHBondContact O-CB 3.29Å; S454-A457 PolarHBondContact O-N 3.07Å; V455-A457 PolarHBondContact O-N 3.47Å; A457-I459 VanDerWaalsContact C-N 3.28Å; A457-I459 PolarHBondContact O-N 2.79Å |
| 458 | H | 84.5 | Confident | 84 | Confident | 29 Ų | 29 | 39.8 Ų | 39.8 | 13% | 0.134 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -85 | 8.2 | 178.3 | -52.2 | -82.5 | 0 | 0 | 0 | 113.9 | V455 L456 L616 M620 L627 | V455-H458 PolarHBondContact O-N 3.39Å; L456-H458 PolarHBondContact O-N 2.83Å; H458-L616 HydrophobicContact CB-CD1 4.42Å; H458-M620 HydrophobicContact CB-CG 4.05Å; H458-L627 VanDerWaalsContact NE2-CD1 3.32Å; H458-L627 WeakPolarHBondContact NE2-CD1 3.45Å |
| 459 | I | 81.4 | Confident | 83.9 | Confident | 19 Ų | 19 | 39.8 Ų | 39.8 | 10% | 0.097 | 22% | 0.22 | C | C | . | . | trans | -103.3 | 100.8 | 175.7 | -56.3 | -177.6 | 0 | 0 | 0 | 110.2 | L456 A457 V461 I463 K467 L616 | L456-I459 HydrophobicContact CD2-CD1 3.76Å; L456-I459 PolarHBondContact O-N 3.22Å; A457-I459 VanDerWaalsContact C-N 3.28Å; A457-I459 PolarHBondContact O-N 2.79Å; I459-V461 HydrophobicContact CG2-CB 4.36Å; I459-V461 WeakPolarHBondContact CG2-O 3.43Å; I459-V461 PolarHBondContact O-N 3.07Å; I459-V461 VanDerWaalsContact O-N 3.1Å; I459-I463 HydrophobicContact CD1-CD1 4.48Å; I459-I463 HydrophobicContact CG2-CD1 4.07Å; I459-K467 HydrophobicContact CB-CD 4.35Å; I459-K467 VanDerWaalsContact O-CD 3.32Å; I459-K467 WeakPolarHBondContact O-CD 3.43Å; I459-K467 WeakPolarHBondContact O-CE 3.26Å; I459-K467 PolarHBondContact O-NZ 2.86Å; I459-L616 HydrophobicContact CD1-CD1 3.98Å; I459-L616 HydrophobicContact CD1-CD2 4.17Å; I459-L616 HydrophobicContact CG1-CD1 3.59Å | ||
| 460 | N | 72 | Confident | 84 | Confident | 137 Ų | 137 | 40.7 Ų | 40.7 | 73% | 0.733 | 22% | 0.224 | S | C | * | . | trans | -63.4 | -15.1 | 179.7 | -59.2 | 15.3 | 0 | 0 | 0 | 114.2 | ||||
| 461 | V | 74.6 | Confident | 84.2 | Confident | 99 Ų | 99 | 36.8 Ų | 36.8 | 60% | 0.6 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -95.3 | 129.4 | 179.5 | -178.1 | 0 | 0 | 0 | 0 | 110 | I459 I463 K467 | I459-V461 HydrophobicContact CG2-CB 4.36Å; I459-V461 WeakPolarHBondContact CG2-O 3.43Å; I459-V461 PolarHBondContact O-N 3.07Å; I459-V461 VanDerWaalsContact O-N 3.1Å; V461-I463 VanDerWaalsContact C-N 3.34Å; V461-I463 HydrophobicContact CG1-CG1 4.47Å; V461-I463 PolarHBondContact O-N 3.22Å; V461-K467 WeakPolarHBondContact O-CD 3.44Å |
| 462 | D | 71 | Confident | 84.4 | Confident | 80 Ų | 80 | 38 Ų | 38 | 43% | 0.428 | 20% | 0.202 | S | C | . | . | trans | -75.8 | 83.1 | 175.7 | -68.8 | -14.4 | 0 | 0 | 0 | 111.4 | K416 S464 K467 V468 | K416-D462 IonicContact NZ-OD2 2.78Å; K416-D462 PolarHBondContact NZ-OD2 2.68Å; D462-S464 PolarHBondContact O-N 3.29Å; D462-K467 IonicContact OD1-NZ 2.86Å; D462-K467 PolarHBondContact OD1-NZ 3.11Å; D462-V468 HydrophobicContact CB-CG2 4.15Å | ||
| 463 | I | 77.5 | Confident | 84.8 | Confident | 22 Ų | 22 | 31.9 Ų | 31.9 | 11% | 0.113 | 17% | 0.174 | C | C | . | . | trans | -68.8 | 117.4 | 173.6 | -57.9 | 173.2 | 0 | 0 | 0 | 108.6 | I459 V461 M466 K467 V610 F611 | I459-I463 HydrophobicContact CD1-CD1 4.48Å; I459-I463 HydrophobicContact CG2-CD1 4.07Å; V461-I463 VanDerWaalsContact C-N 3.34Å; V461-I463 HydrophobicContact CG1-CG1 4.47Å; V461-I463 PolarHBondContact O-N 3.22Å; I463-M466 HydrophobicContact CB-CB 4.14Å; I463-M466 HydrophobicContact CB-CG 4.5Å; I463-M466 HydrophobicContact CG2-CB 4Å; I463-M466 HydrophobicContact CG2-CG 3.82Å; I463-M466 HydrophobicContact CG2-SD 3.94Å; I463-M466 PolarHBondContact O-N 3.4Å; I463-M466 VanDerWaalsContact O-N 3.15Å; I463-K467 PolarHBondContact O-N 3.44Å; I463-V610 HydrophobicContact CD1-CG1 4.47Å; I463-V610 HydrophobicContact CG2-CG1 3.67Å; I463-F611 HydrophobicContact CD1-CB 4.14Å; I463-F611 HydrophobicContact CD1-CD1 3.81Å; I463-F611 HydrophobicContact CD1-CG 4.3Å | ||
| 464 | S | 72.6 | Confident | 85.1 | Confident | 38 Ų | 38 | 29.8 Ų | 29.8 | 27% | 0.266 | 16% | 0.164 | S | C | . | . | B | Isolated β-bridge | trans | -60.9 | 138.2 | 178.6 | -153.8 | 0 | 0 | 0 | 0 | 110.9 | D462 M466 W470 | D462-S464 PolarHBondContact O-N 3.29Å; S464-M466 PolarHBondContact O-N 2.69Å; S464-W470 PolarHBondContact OG-NE1 3.45Å |
| 465 | G | 72 | Confident | 85.3 | Confident | 7 Ų | 7 | 29.9 Ų | 29.9 | 7% | 0.072 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | -32.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | V468 W470 N585 | G465-V468 CarbonylContact C-O 3.53Å; G465-V468 VanDerWaalsContact CA-O 3.25Å; G465-V468 WeakPolarHBondContact CA-O 3.37Å; G465-V468 PolarHBondContact N-O 3.41Å; G465-W470 VanDerWaalsContact N-NE1 3.13Å; G465-N585 PolarHBondContact O-N 3.29Å; G465-N585 PolarHBondContact O-OD1 2.81Å |
| 466 | M | 83.2 | Confident | 85.5 | Confident | 8 Ų | 8 | 29.9 Ų | 29.9 | 4% | 0.039 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -45.6 | -177.6 | -55.5 | -165.1 | 76.1 | 0 | 0 | 114.5 | P449 L456 I463 S464 V584 N585 F611 | P449-M466 WeakPolarHBondContact CG-O 3.21Å; L456-M466 HydrophobicContact CD1-CB 4.16Å; L456-M466 HydrophobicContact CD1-CE 4.36Å; L456-M466 WeakPolarHBondContact CD1-O 3.33Å; L456-M466 HydrophobicContact CD2-CE 4.14Å; I463-M466 HydrophobicContact CB-CB 4.14Å; I463-M466 HydrophobicContact CB-CG 4.5Å; I463-M466 HydrophobicContact CG2-CB 4Å; I463-M466 HydrophobicContact CG2-CG 3.82Å; I463-M466 HydrophobicContact CG2-SD 3.94Å; I463-M466 PolarHBondContact O-N 3.4Å; I463-M466 VanDerWaalsContact O-N 3.15Å; S464-M466 PolarHBondContact O-N 2.69Å; M466-V584 WeakPolarHBondContact O-CG2 3.28Å; M466-N585 HydrophobicContact CB-CB 4.4Å; M466-N585 HydrophobicContact CE-CB 4.35Å; M466-N585 HydrophobicContact CG-CB 4.12Å; M466-F611 HydrophobicContact CE-CE1 3.93Å; M466-F611 HydrophobicContact SD-CD1 4.34Å; M466-F611 HydrophobicContact SD-CE1 3.86Å |
| 467 | K | 85.2 | Confident | 85.7 | Confident | 40 Ų | 40 | 29.9 Ų | 29.9 | 17% | 0.174 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -14 | 173.2 | -79.3 | -174.6 | 71.2 | -148.2 | 0 | 113.2 | P449 L456 I459 V461 D462 I463 | P449-K467 HydrophobicContact CB-CG 4.22Å; L456-K467 HydrophobicContact CB-CG 4.38Å; I459-K467 HydrophobicContact CB-CD 4.35Å; I459-K467 VanDerWaalsContact O-CD 3.32Å; I459-K467 WeakPolarHBondContact O-CD 3.43Å; I459-K467 WeakPolarHBondContact O-CE 3.26Å; I459-K467 PolarHBondContact O-NZ 2.86Å; V461-K467 WeakPolarHBondContact O-CD 3.44Å; D462-K467 IonicContact OD1-NZ 2.86Å; D462-K467 PolarHBondContact OD1-NZ 3.11Å; I463-K467 PolarHBondContact O-N 3.44Å |
| 468 | V | 87.7 | Confident | 86.1 | Confident | 14 Ų | 14 | 28 Ų | 28 | 9% | 0.085 | 15% | 0.149 | C | C | . | . | B | Isolated β-bridge | trans | -123.9 | 115.7 | 180 | 177.7 | 0 | 0 | 0 | 0 | 107.5 | S415 K416 D462 G465 | S415-V468 WeakPolarHBondContact OG-CG1 3.29Å; K416-V468 HydrophobicContact CB-CG1 3.75Å; K416-V468 HydrophobicContact CD-CG2 4.36Å; D462-V468 HydrophobicContact CB-CG2 4.15Å; G465-V468 CarbonylContact C-O 3.53Å; G465-V468 VanDerWaalsContact CA-O 3.25Å; G465-V468 WeakPolarHBondContact CA-O 3.37Å; G465-V468 PolarHBondContact N-O 3.41Å |
| 469 | P | 92.6 | Very high | 86.5 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | trans | -56.2 | 149.9 | 178.9 | -28.4 | 35.3 | 0 | 0 | 0 | 114.5 | S415 L445 N446 E582 A583 V584 | S415-P469 WeakPolarHBondContact CB-O 3.45Å; S415-P469 PolarHBondContact N-O 3.43Å; S415-P469 PolarHBondContact OG-O 3.43Å; L445-P469 HydrophobicContact CB-CB 4.48Å; L445-P469 HydrophobicContact CB-CG 4.01Å; L445-P469 WeakPolarHBondContact O-CG 3.49Å; N446-P469 WeakPolarHBondContact OD1-CD 3.36Å; P469-E582 HydrophobicContact CB-CG 3.7Å; P469-E582 WeakPolarHBondContact CB-OE1 3.49Å; P469-A583 CarbonylContact C-O 3.59Å; P469-A583 VanDerWaalsContact CA-O 3.22Å; P469-A583 WeakPolarHBondContact CA-O 3.45Å; P469-A583 WeakPolarHBondContact CB-O 3.43Å; P469-V584 HydrophobicContact CB-CB 4.35Å; P469-V584 HydrophobicContact CG-CB 4.15Å; P469-V584 HydrophobicContact CG-CG2 4.16Å | ||
| 470 | W | 92.9 | Very high | 86.9 | Confident | 20 Ų | 20 | 27.9 Ų | 27.9 | 8% | 0.076 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 137.1 | 174.3 | -81 | 11.7 | 0 | 0 | 0 | 111.1 | A244 D412 S464 G465 Y472 E582 A583 | A244-W470 HydrophobicContact CB-CZ3 4.3Å; D412-W470 HydrophobicContact CB-CD2 4.2Å; D412-W470 HydrophobicContact CB-CE3 3.63Å; D412-W470 HydrophobicContact CB-CH2 3.83Å; D412-W470 HydrophobicContact CB-CZ2 4.36Å; D412-W470 HydrophobicContact CB-CZ3 3.43Å; D412-W470 VanDerWaalsContact CB-CZ3 3.43Å; D412-W470 WeakPolarHBondContact OD1-CZ3 3.32Å; S464-W470 PolarHBondContact OG-NE1 3.45Å; G465-W470 VanDerWaalsContact N-NE1 3.13Å; W470-Y472 HydrophobicContact CB-CE2 3.83Å; W470-Y472 WeakPolarHBondContact O-CD2 3.33Å; W470-Y472 WeakPolarHBondContact O-CE2 3.18Å; W470-E582 CarbonylContact O-C 3.53Å; W470-E582 WeakPolarHBondContact O-CA 3.19Å; W470-A583 PolarHBondContact N-O 3.48Å; W470-A583 PolarHBondContact O-N 2.7Å |
| 471 | L | 93.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 143.7 | 178.7 | -46.2 | 173.4 | 0 | 0 | 0 | 111.1 | F68 I413 F418 G419 F580 A581 E582 | F68-L471 HydrophobicContact CE2-CD1 3.64Å; F68-L471 HydrophobicContact CZ-CD1 3.65Å; I413-L471 HydrophobicContact CB-CB 4.1Å; I413-L471 HydrophobicContact CG2-CB 4.39Å; I413-L471 HydrophobicContact CG2-CD1 4.17Å; I413-L471 PolarHBondContact O-N 2.71Å; F418-L471 HydrophobicContact CB-CD1 4.44Å; G419-L471 WeakPolarHBondContact O-CD1 3.32Å; L471-F580 HydrophobicContact CB-CE2 4.45Å; L471-F580 HydrophobicContact CB-CZ 4.03Å; L471-F580 HydrophobicContact CD1-CE2 4.35Å; L471-F580 HydrophobicContact CD1-CZ 3.76Å; L471-F580 HydrophobicContact CD2-CE1 3.94Å; L471-F580 HydrophobicContact CD2-CZ 3.77Å; L471-F580 HydrophobicContact CG-CZ 4.07Å; L471-A581 WeakPolarHBondContact CA-O 3.15Å; L471-E582 HydrophobicContact CD2-CB 3.97Å; L471-E582 HydrophobicContact CD2-CG 3.74Å |
| 472 | Y | 94.3 | Very high | 88.4 | Confident | 69 Ų | 69 | 16.9 Ų | 16.9 | 27% | 0.271 | 9% | 0.086 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 123.2 | -178.8 | -59.3 | -92.5 | 0 | 0 | 0 | 110.1 | G410 A411 W470 F580 A581 A583 | G410-Y472 CarbonylContact O-C 3.35Å; G410-Y472 WeakPolarHBondContact O-CA 3.47Å; A411-Y472 HydrophobicContact CB-CD1 3.7Å; A411-Y472 HydrophobicContact CB-CE1 3.97Å; W470-Y472 HydrophobicContact CB-CE2 3.83Å; W470-Y472 WeakPolarHBondContact O-CD2 3.33Å; W470-Y472 WeakPolarHBondContact O-CE2 3.18Å; Y472-F580 WeakPolarHBondContact O-CA 3.34Å; Y472-A581 PolarHBondContact N-O 2.99Å; Y472-A581 PolarHBondContact O-N 2.78Å; Y472-A583 HydrophobicContact CD2-CB 4.44Å; Y472-A583 HydrophobicContact CE2-CB 3.84Å |
| 473 | V | 95.4 | Very high | 89.2 | Confident | 2 Ų | 2 | 14.7 Ų | 14.7 | 1% | 0.012 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 107.8 | -179.9 | -167 | 0 | 0 | 0 | 0 | 108.5 | F70 L363 F366 G410 I413 Y578 N579 F580 | F70-V473 HydrophobicContact CE1-CG1 4.31Å; F70-V473 HydrophobicContact CE1-CG2 4.3Å; F70-V473 HydrophobicContact CE2-CB 4.13Å; F70-V473 HydrophobicContact CE2-CG1 4.48Å; F70-V473 HydrophobicContact CE2-CG2 4.25Å; F70-V473 HydrophobicContact CZ-CB 3.93Å; F70-V473 HydrophobicContact CZ-CG1 3.8Å; F70-V473 HydrophobicContact CZ-CG2 4.07Å; L363-V473 HydrophobicContact CD2-CB 4.29Å; L363-V473 HydrophobicContact CD2-CG1 3.61Å; L363-V473 HydrophobicContact CD2-CG2 3.61Å; F366-V473 HydrophobicContact CD1-CG1 3.68Å; F366-V473 HydrophobicContact CE1-CG1 3.74Å; F366-V473 HydrophobicContact CG-CG1 4.47Å; G410-V473 PolarHBondContact N-O 3.16Å; G410-V473 PolarHBondContact O-N 3.49Å; I413-V473 HydrophobicContact CD1-CG2 4.35Å; V473-Y578 HydrophobicContact CG1-CE2 4.23Å; V473-N579 WeakPolarHBondContact CA-O 3.35Å; V473-F580 HydrophobicContact CG2-CD2 4.1Å; V473-F580 HydrophobicContact CG2-CE2 4.39Å |
| 474 | G | 94.8 | Very high | 89.9 | Confident | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.01 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 149.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S478 G577 Y578 N579 | G474-S478 WeakPolarHBondContact CA-OG 3.4Å; G474-G577 CarbonylContact C-O 3.48Å; G474-Y578 VanDerWaalsContact O-CA 3.3Å; G474-Y578 WeakPolarHBondContact O-CA 3.41Å; G474-N579 PolarHBondContact N-O 3.5Å; G474-N579 PolarHBondContact N-OD1 3.23Å; G474-N579 PolarHBondContact O-N 3.41Å |
| 475 | M | 96 | Very high | 90.8 | Very high | 2 Ų | 2 | 13.6 Ų | 13.6 | 1% | 0.01 | 6% | 0.063 | C | C | . | . | trans | -122.7 | 171.4 | 158.8 | 73.5 | 175.6 | -77.2 | 0 | 0 | 110.9 | F366 M369 A370 F373 V407 E408 F477 S478 N575 G577 | F366-M475 HydrophobicContact CE1-CB 4.02Å; F366-M475 HydrophobicContact CZ-CB 3.96Å; F366-M475 HydrophobicContact CZ-CG 4.31Å; M369-M475 HydrophobicContact CE-CE 4.48Å; M369-M475 HydrophobicContact CE-SD 3.77Å; M369-M475 HydrophobicContact SD-CE 3.95Å; M369-M475 HydrophobicContact SD-SD 4.01Å; A370-M475 HydrophobicContact CB-CB 3.52Å; F373-M475 HydrophobicContact CB-CE 3.94Å; F373-M475 HydrophobicContact CD1-CE 3.33Å; F373-M475 HydrophobicContact CD2-CE 4.12Å; F373-M475 HydrophobicContact CE1-CE 3.79Å; F373-M475 HydrophobicContact CE2-CE 4.49Å; F373-M475 HydrophobicContact CG-CE 3.52Å; F373-M475 HydrophobicContact CZ-CE 4.35Å; V407-M475 HydrophobicContact CB-CE 4.27Å; V407-M475 HydrophobicContact CB-CG 4.24Å; V407-M475 HydrophobicContact CB-SD 3.84Å; V407-M475 HydrophobicContact CG1-CE 4.09Å; V407-M475 HydrophobicContact CG1-SD 4.32Å; E408-M475 HydrophobicContact CB-SD 4.38Å; E408-M475 PolarHBondContact N-SD 2.78Å; E408-M475 WeakPolarHBondContact O-CG 3.33Å; M475-F477 PolarHBondContact O-N 3.42Å; M475-S478 PolarHBondContact N-OG 3.47Å; M475-S478 WeakPolarHBondContact O-CB 3.14Å; M475-S478 PolarHBondContact O-N 3.28Å; M475-S478 PolarHBondContact O-OG 3.44Å; M475-N575 WeakPolarHBondContact O-CB 3.26Å; M475-G577 CarbonylContact C-O 3.58Å; M475-G577 VanDerWaalsContact C-O 3.24Å; M475-G577 VanDerWaalsContact CA-O 3.27Å; M475-G577 WeakPolarHBondContact CA-O 3.3Å | ||
| 476 | C | 97.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | 132.4 | 176 | -166.3 | 0 | 0 | 0 | 0 | 111.9 | F373 K374 S478 N575 | F373-C476 HydrophobicContact CD1-CB 4.17Å; F373-C476 HydrophobicContact CE1-CB 4.13Å; K374-C476 HydrophobicContact CB-CB 3.98Å; K374-C476 HydrophobicContact CD-CB 4.04Å; K374-C476 HydrophobicContact CG-CB 4.18Å; C476-S478 PolarHBondContact O-N 3.48Å; C476-S478 VanDerWaalsContact O-N 3.16Å; C476-N575 WeakPolarHBondContact CA-O 3.49Å |
| 477 | F | 95.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | -5 | -174.5 | -45 | -55 | 0 | 0 | 0 | 117.1 | L77 F373 Y377 F378 V390 E393 F394 L397 V407 M475 S479 N575 | L77-F477 HydrophobicContact CD1-CB 3.84Å; L77-F477 HydrophobicContact CD1-CD2 4.46Å; L77-F477 HydrophobicContact CD1-CG 4.26Å; F373-F477 AromaticContact CE1-CD2 3.77Å; F373-F477 HydrophobicContact CE1-CD2 3.77Å; F373-F477 HydrophobicContact CE1-CE2 4.09Å; F373-F477 AromaticContact CZ-CD2 3.92Å; F373-F477 HydrophobicContact CZ-CD2 3.92Å; F373-F477 HydrophobicContact CZ-CE2 4.21Å; Y377-F477 HydrophobicContact CD1-CE2 4.2Å; Y377-F477 HydrophobicContact CD1-CZ 4.17Å; Y377-F477 HydrophobicContact CD2-CE2 4.11Å; Y377-F477 HydrophobicContact CE1-CE2 4.17Å; Y377-F477 AromaticContact CE1-CZ 3.98Å; Y377-F477 HydrophobicContact CE1-CZ 3.98Å; Y377-F477 HydrophobicContact CE2-CE2 4.06Å; Y377-F477 HydrophobicContact CG-CE2 4.21Å; F378-F477 HydrophobicContact CE2-CE1 4.45Å; F378-F477 HydrophobicContact CE2-CE2 4.49Å; F378-F477 AromaticContact CE2-CZ 3.85Å; F378-F477 HydrophobicContact CE2-CZ 3.85Å; F378-F477 HydrophobicContact CZ-CE1 4.05Å; F378-F477 AromaticContact CZ-CZ 3.6Å; F378-F477 HydrophobicContact CZ-CZ 3.6Å; V390-F477 HydrophobicContact CG1-CD1 3.9Å; V390-F477 HydrophobicContact CG1-CE1 3.63Å; E393-F477 HydrophobicContact CB-CE1 4.36Å; E393-F477 HydrophobicContact CB-CZ 4.5Å; E393-F477 HydrophobicContact CG-CE1 4.38Å; E393-F477 HydrophobicContact CG-CZ 4.07Å; F394-F477 HydrophobicContact CB-CD1 3.99Å; F394-F477 HydrophobicContact CB-CE1 4.35Å; F394-F477 HydrophobicContact CD2-CB 4.05Å; F394-F477 HydrophobicContact CD2-CD1 4.12Å; F394-F477 WeakPolarHBondContact CE2-O 3.24Å; L397-F477 HydrophobicContact CD1-CD2 4.19Å; L397-F477 HydrophobicContact CD1-CE1 4.36Å; L397-F477 HydrophobicContact CD1-CE2 3.87Å; L397-F477 HydrophobicContact CD1-CZ 3.94Å; V407-F477 HydrophobicContact CG1-CB 4.26Å; M475-F477 PolarHBondContact O-N 3.42Å; F477-S479 PolarHBondContact O-N 2.77Å; F477-N575 PolarHBondContact N-O 3.49Å |
| 478 | S | 94.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 6% | 0.059 | C | C | . | . | trans | -61.7 | 134.2 | 171.2 | 62.4 | 0 | 0 | 0 | 0 | 110.4 | G474 M475 C476 F574 N575 | G474-S478 WeakPolarHBondContact CA-OG 3.4Å; M475-S478 PolarHBondContact N-OG 3.47Å; M475-S478 WeakPolarHBondContact O-CB 3.14Å; M475-S478 PolarHBondContact O-N 3.28Å; M475-S478 PolarHBondContact O-OG 3.44Å; C476-S478 PolarHBondContact O-N 3.48Å; C476-S478 VanDerWaalsContact O-N 3.16Å; S478-F574 CarbonylContact O-C 3.5Å; S478-F574 VanDerWaalsContact O-CA 3.22Å; S478-F574 WeakPolarHBondContact O-CA 3.41Å; S478-N575 PolarHBondContact O-N 3.25Å; S478-N575 PolarHBondContact O-ND2 3.31Å; S478-N575 PolarHBondContact OG-ND2 3.21Å | ||
| 479 | S | 91.3 | Very high | 92.6 | Very high | 5 Ų | 5 | 12.2 Ų | 12.2 | 4% | 0.035 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 159.4 | -158.9 | 67.3 | 0 | 0 | 0 | 0 | 114 | Q75 L80 F477 G573 | Q75-S479 PolarHBondContact NE2-O 3.07Å; Q75-S479 PolarHBondContact OE1-O 2.98Å; Q75-S479 PolarHBondContact OE1-OG 3.16Å; L80-S479 WeakPolarHBondContact CD1-OG 3.46Å; F477-S479 PolarHBondContact O-N 2.77Å; S479-G573 CarbonylContact C-O 3.41Å; S479-G573 VanDerWaalsContact CA-O 3.3Å; S479-G573 WeakPolarHBondContact CA-O 3.28Å; S479-G573 WeakPolarHBondContact CB-O 3.3Å |
| 480 | F | 91.1 | Very high | 92.8 | Very high | 40 Ų | 40 | 12.2 Ų | 12.2 | 18% | 0.175 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 126.7 | 168.5 | 54 | -80 | 0 | 0 | 0 | 109.4 | H483 K501 W503 S572 G573 | F480-H483 AromaticContact CD2-CE1 3.99Å; F480-K501 HydrophobicContact CE1-CD 4.03Å; F480-K501 HydrophobicContact CE1-CG 4.07Å; F480-K501 HydrophobicContact CZ-CD 4.44Å; F480-W503 HydrophobicContact CE2-CD2 4.25Å; F480-W503 AromaticContact CE2-CE3 3.66Å; F480-W503 HydrophobicContact CE2-CE3 3.66Å; F480-W503 HydrophobicContact CE2-CH2 4.35Å; F480-W503 AromaticContact CE2-CZ3 3.73Å; F480-W503 HydrophobicContact CE2-CZ3 3.73Å; F480-W503 AromaticContact CZ-CD2 3.72Å; F480-W503 HydrophobicContact CZ-CD2 3.72Å; F480-W503 AromaticContact CZ-CE3 3.62Å; F480-W503 HydrophobicContact CZ-CE3 3.62Å; F480-W503 HydrophobicContact CZ-CG 4.3Å; F480-W503 HydrophobicContact CZ-CH2 4.25Å; F480-W503 HydrophobicContact CZ-CZ2 4.33Å; F480-W503 AromaticContact CZ-CZ3 3.9Å; F480-W503 HydrophobicContact CZ-CZ3 3.9Å; F480-S572 WeakPolarHBondContact CE2-O 3.5Å; F480-S572 WeakPolarHBondContact O-CA 3.47Å; F480-S572 WeakPolarHBondContact O-CB 2.99Å; F480-G573 VanDerWaalsContact CE1-C 3.49Å; F480-G573 VanDerWaalsContact CE2-N 3.35Å; F480-G573 VanDerWaalsContact CZ-CA 3.49Å; F480-G573 PolarHBondContact N-O 3.07Å; F480-G573 PolarHBondContact O-N 3.45Å |
| 481 | C | 88.8 | Confident | 93 | Very high | 2 Ų | 2 | 11.6 Ų | 11.6 | 1% | 0.014 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 170.5 | -176.4 | -71.1 | 0 | 0 | 0 | 0 | 112.6 | H483 L536 V537 T538 | C481-H483 PolarHBondContact O-N 2.86Å; C481-H483 PolarHBondContact O-ND1 3.33Å; C481-L536 VanDerWaalsContact CB-O 3.25Å; C481-L536 WeakPolarHBondContact CB-O 3.29Å; C481-L536 PolarHBondContact SG-O 3.19Å; C481-V537 VanDerWaalsContact SG-C 3.54Å; C481-T538 VanDerWaalsContact CB-O 3.26Å; C481-T538 WeakPolarHBondContact CB-O 3.47Å |
| 482 | W | 89.1 | Confident | 93.1 | Very high | 4 Ų | 4 | 11.6 Ų | 11.6 | 2% | 0.015 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 122.3 | 177.3 | -75.5 | 110.5 | 0 | 0 | 0 | 110.9 | V506 L514 M518 T538 M540 P542 L545 V552 Y570 H571 S572 | W482-V506 HydrophobicContact CH2-CG2 3.83Å; W482-V506 HydrophobicContact CZ3-CG2 3.81Å; W482-L514 HydrophobicContact CD2-CD1 4.46Å; W482-L514 HydrophobicContact CE3-CD1 4.33Å; W482-M518 HydrophobicContact CB-CE 3.77Å; W482-M518 VanDerWaalsContact CD1-CE 3.46Å; W482-M518 HydrophobicContact CD2-CE 4.5Å; W482-M518 HydrophobicContact CG-CE 3.66Å; W482-T538 PolarHBondContact N-O 3.08Å; W482-M540 VanDerWaalsContact CD1-N 3.34Å; W482-M540 PolarHBondContact NE1-O 3.41Å; W482-P542 HydrophobicContact CZ2-CG 4.47Å; W482-L545 HydrophobicContact CH2-CD1 4.24Å; W482-L545 HydrophobicContact CZ2-CD1 3.52Å; W482-V552 HydrophobicContact CH2-CG1 4.03Å; W482-Y570 HydrophobicContact CB-CD1 4.47Å; W482-H571 WeakPolarHBondContact CA-O 3.4Å; W482-H571 VanDerWaalsContact CE3-C 3.45Å; W482-S572 VanDerWaalsContact CD2-OG 3.29Å; W482-S572 WeakPolarHBondContact CH2-OG 3.39Å; W482-S572 WeakPolarHBondContact CZ2-OG 3.36Å |
| 483 | H | 88.2 | Confident | 93.3 | Very high | 33 Ų | 33 | 8.7 Ų | 8.7 | 15% | 0.153 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 172.4 | 177.9 | 66.6 | -70.1 | 0 | 0 | 0 | 112.8 | F480 C481 L536 Y570 H571 | F480-H483 AromaticContact CD2-CE1 3.99Å; C481-H483 PolarHBondContact O-N 2.86Å; C481-H483 PolarHBondContact O-ND1 3.33Å; H483-L536 HydrophobicContact CB-CD2 3.62Å; H483-L536 HydrophobicContact CB-CG 4.1Å; H483-Y570 VanDerWaalsContact O-CA 3.32Å; H483-Y570 WeakPolarHBondContact O-CA 3.48Å; H483-H571 AromaticContact CD2-NE2 3.92Å; H483-H571 AromaticContact CE1-CD2 3.67Å; H483-H571 AromaticContact CE1-NE2 3.34Å; H483-H571 PolarHBondContact CE1-NE2 3.18Å; H483-H571 VanDerWaalsContact CE1-NE2 3.34Å; H483-H571 PolarHBondContact N-O 3.06Å; H483-H571 AromaticContact ND1-NE2 4Å; H483-H571 PolarHBondContact ND1-O 3.09Å; H483-H571 AromaticContact NE2-CE1 3.95Å; H483-H571 AromaticContact NE2-NE2 3.32Å; H483-H571 PolarHBondContact NE2-NE2 3.22Å; H483-H571 PolarHBondContact O-N 3.15Å |
| 484 | I | 90.8 | Very high | 93.5 | Very high | 12 Ų | 12 | 9.1 Ų | 9.1 | 6% | 0.062 | 4% | 0.044 | C | C | . | . | trans | -131.5 | 152.2 | 171.5 | 55.2 | -174.2 | 0 | 0 | 0 | 108.5 | W488 R568 Y570 | I484-W488 VanDerWaalsContact CD1-NE1 3.33Å; I484-R568 HydrophobicContact CD1-CG 4.25Å; I484-Y570 HydrophobicContact CD1-CE2 4.12Å; I484-Y570 HydrophobicContact CG2-CD1 3.8Å; I484-Y570 HydrophobicContact CG2-CD2 3.49Å; I484-Y570 VanDerWaalsContact CG2-CD2 3.49Å; I484-Y570 HydrophobicContact CG2-CE1 3.96Å; I484-Y570 HydrophobicContact CG2-CE2 3.68Å; I484-Y570 HydrophobicContact CG2-CG 3.56Å | ||
| 485 | E | 91.4 | Very high | 93.6 | Very high | 25 Ų | 25 | 9.1 Ų | 9.1 | 12% | 0.117 | 4% | 0.044 | C | C | . | . | trans | -64.5 | 154 | -178.1 | -58.1 | -55.5 | 163.4 | 0 | 0 | 114.1 | W488 S489 S491 H571 N585 | E485-W488 WeakPolarHBondContact O-CA 3.37Å; E485-W488 PolarHBondContact O-N 3.38Å; E485-S489 WeakPolarHBondContact CB-OG 3.31Å; E485-S491 WeakPolarHBondContact OE1-CB 3.07Å; E485-S491 PolarHBondContact OE1-OG 3.48Å; E485-H571 IonicContact OE1-CE1 2.79Å; E485-H571 PolarHBondContact OE1-CE1 3.48Å; E485-H571 VanDerWaalsContact OE1-CE1 3.24Å; E485-H571 IonicContact OE1-NE2 2.73Å; E485-N585 PolarHBondContact OE2-ND2 3.46Å | ||
| 486 | D | 86.7 | Confident | 93.7 | Very high | 30 Ų | 30 | 10 Ų | 10 | 16% | 0.16 | 5% | 0.048 | C | C | . | . | G | 310 helix | trans | -59.5 | 137.1 | 171.8 | -95.8 | -51.5 | 0 | 0 | 0 | 111.1 | W488 S489 R607 V610 | D486-W488 PolarHBondContact O-N 3.21Å; D486-S489 PolarHBondContact O-N 3.11Å; D486-R607 IonicContact OD1-CZ 3.16Å; D486-R607 IonicContact OD1-NH2 3.43Å; D486-R607 PolarHBondContact OD1-NH2 3.18Å; D486-V610 HydrophobicContact CB-CG2 4.05Å |
| 487 | H | 91.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 6% | 0.058 | C | C | . | . | G | 310 helix | trans | 51.6 | 20.4 | -167.5 | -64.4 | -103.2 | 0 | 0 | 0 | 115.5 | S489 W591 C598 Y602 V610 F611 | H487-S489 VanDerWaalsContact C-N 3.26Å; H487-S489 PolarHBondContact O-N 2.62Å; H487-W591 HydrophobicContact CB-CZ2 3.87Å; H487-W591 PolarHBondContact O-NE1 3.32Å; H487-C598 WeakPolarHBondContact CA-SG 3.47Å; H487-Y602 PolarHBondContact N-OH 3.48Å; H487-V610 PolarHBondContact NE2-N 2.92Å; H487-F611 HydrophobicContact CB-CE1 4.5Å; H487-F611 HydrophobicContact CB-CZ 4.22Å; H487-F611 AromaticContact CD2-CD1 3.79Å; H487-F611 AromaticContact CD2-CE1 3.24Å; H487-F611 WeakPolarHBondContact CD2-CE1 3.16Å; H487-F611 AromaticContact CD2-CZ 3.61Å; H487-F611 AromaticContact CE1-CE1 3.94Å; H487-F611 AromaticContact CE1-CE2 3.91Å; H487-F611 AromaticContact CE1-CZ 3.83Å; H487-F611 PolarHBondContact CE1-O 3.2Å; H487-F611 VanDerWaalsContact CE1-O 3.23Å; H487-F611 AromaticContact CG-CE1 3.86Å; H487-F611 AromaticContact CG-CZ 3.74Å; H487-F611 AromaticContact ND1-CZ 3.91Å; H487-F611 AromaticContact NE2-CD1 3.37Å; H487-F611 WeakPolarHBondContact NE2-CD1 3.14Å; H487-F611 AromaticContact NE2-CE1 3.29Å; H487-F611 VanDerWaalsContact NE2-CE1 3.29Å; H487-F611 WeakPolarHBondContact NE2-CE1 3.08Å; H487-F611 AromaticContact NE2-CG 3.82Å; H487-F611 AromaticContact NE2-CZ 3.65Å; H487-F611 PolarHBondContact NE2-N 3.1Å |
| 488 | W | 94.6 | Very high | 93.7 | Very high | 10 Ų | 10 | 14.4 Ų | 14.4 | 4% | 0.038 | 8% | 0.076 | C | C | . | . | G | 310 helix | trans | 54.6 | 39.5 | -173.9 | -54.8 | -18.7 | 0 | 0 | 0 | 112.7 | I484 E485 D486 P567 R568 W591 I594 Q597 C598 H601 | I484-W488 VanDerWaalsContact CD1-NE1 3.33Å; E485-W488 WeakPolarHBondContact O-CA 3.37Å; E485-W488 PolarHBondContact O-N 3.38Å; D486-W488 PolarHBondContact O-N 3.21Å; W488-P567 VanDerWaalsContact O-CA 3.32Å; W488-P567 WeakPolarHBondContact O-CA 3.43Å; W488-P567 VanDerWaalsContact O-CB 3.27Å; W488-P567 WeakPolarHBondContact O-CB 3.43Å; W488-R568 HydrophobicContact CB-CB 4.12Å; W488-R568 HydrophobicContact CD2-CB 4.01Å; W488-R568 HydrophobicContact CD2-CG 3.74Å; W488-R568 HydrophobicContact CE3-CB 4.32Å; W488-R568 HydrophobicContact CE3-CG 4.22Å; W488-R568 HydrophobicContact CG-CB 3.93Å; W488-R568 HydrophobicContact CG-CG 3.94Å; W488-R568 HydrophobicContact CZ2-CG 4.29Å; W488-W591 PolarHBondContact O-NE1 3.37Å; W488-I594 HydrophobicContact CB-CG2 4.18Å; W488-I594 HydrophobicContact CE3-CG2 3.86Å; W488-Q597 HydrophobicContact CZ3-CB 4.08Å; W488-C598 HydrophobicContact CB-CB 4.26Å; W488-C598 HydrophobicContact CD2-CB 3.53Å; W488-C598 VanDerWaalsContact CE2-SG 3.56Å; W488-C598 HydrophobicContact CE3-CB 3.6Å; W488-C598 HydrophobicContact CG-CB 3.83Å; W488-C598 HydrophobicContact CZ3-CB 4.19Å; W488-H601 HydrophobicContact CH2-CB 3.82Å; W488-H601 AromaticContact CH2-CG 3.98Å; W488-H601 AromaticContact CH2-ND1 3.8Å; W488-H601 HydrophobicContact CZ2-CB 3.86Å; W488-H601 AromaticContact CZ2-CG 3.71Å; W488-H601 AromaticContact CZ2-ND1 3.66Å |
| 489 | S | 94.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.084 | C | C | . | . | trans | -63.7 | 176.6 | 174.3 | 76.2 | 0 | 0 | 0 | 0 | 112.6 | E485 D486 H487 N585 | E485-S489 WeakPolarHBondContact CB-OG 3.31Å; D486-S489 PolarHBondContact O-N 3.11Å; H487-S489 VanDerWaalsContact C-N 3.26Å; H487-S489 PolarHBondContact O-N 2.62Å; S489-N585 WeakPolarHBondContact OG-CB 3.39Å; S489-N585 PolarHBondContact OG-ND2 3.43Å | ||
| 490 | Y | 96.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 0% | 0.004 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 159.8 | 154.8 | -66.9 | -108.8 | 0 | 0 | 0 | 109.2 | I36 R40 V564 T565 F566 P567 N585 F586 T588 D590 W591 | I36-Y490 HydrophobicContact CG2-CD1 4.45Å; I36-Y490 HydrophobicContact CG2-CE1 4.01Å; R40-Y490 WeakPolarHBondContact CD-OH 3.23Å; Y490-V564 HydrophobicContact CD1-CG1 4.19Å; Y490-T565 WeakPolarHBondContact CA-O 3.5Å; Y490-T565 VanDerWaalsContact CD1-O 3.27Å; Y490-T565 WeakPolarHBondContact CD1-O 3.21Å; Y490-F566 HydrophobicContact CD1-CD1 4.23Å; Y490-F566 HydrophobicContact CD1-CE1 4.48Å; Y490-F566 AromaticContact CE1-CD1 3.43Å; Y490-F566 HydrophobicContact CE1-CD1 3.43Å; Y490-F566 VanDerWaalsContact CE1-CD1 3.43Å; Y490-F566 AromaticContact CE1-CE1 3.61Å; Y490-F566 HydrophobicContact CE1-CE1 3.61Å; Y490-F566 HydrophobicContact CE1-CG 4.12Å; Y490-F566 HydrophobicContact CE1-CZ 4.42Å; Y490-P567 HydrophobicContact CD2-CG 3.59Å; Y490-P567 HydrophobicContact CE1-CG 4.44Å; Y490-P567 HydrophobicContact CE2-CG 3.33Å; Y490-P567 HydrophobicContact CG-CG 4.22Å; Y490-P567 VanDerWaalsContact CZ-CD 3.46Å; Y490-N585 VanDerWaalsContact O-CA 3.32Å; Y490-N585 WeakPolarHBondContact O-CA 3.32Å; Y490-F586 WeakPolarHBondContact CB-O 3.49Å; Y490-F586 HydrophobicContact CD1-CE1 4.42Å; Y490-F586 AromaticContact CD1-CE2 3.94Å; Y490-F586 HydrophobicContact CD1-CE2 3.94Å; Y490-F586 AromaticContact CD1-CZ 3.62Å; Y490-F586 HydrophobicContact CD1-CZ 3.62Å; Y490-F586 HydrophobicContact CD2-CE2 4.14Å; Y490-F586 HydrophobicContact CD2-CZ 4.5Å; Y490-F586 HydrophobicContact CG-CD2 4.31Å; Y490-F586 HydrophobicContact CG-CE1 4.19Å; Y490-F586 AromaticContact CG-CE2 3.68Å; Y490-F586 HydrophobicContact CG-CE2 3.68Å; Y490-F586 AromaticContact CG-CZ 3.6Å; Y490-F586 HydrophobicContact CG-CZ 3.6Å; Y490-F586 PolarHBondContact N-O 3.16Å; Y490-F586 PolarHBondContact O-N 3.03Å; Y490-T588 HydrophobicContact CE2-CG2 4.35Å; Y490-T588 WeakPolarHBondContact CE2-OG1 3.44Å; Y490-D590 PolarHBondContact OH-OD2 3.12Å; Y490-W591 HydrophobicContact CE2-CB 4.43Å |
| 491 | S | 95.7 | Very high | 94.5 | Very high | 7 Ų | 7 | 15.3 Ų | 15.3 | 5% | 0.049 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 154.5 | 154.2 | 66.2 | 0 | 0 | 0 | 0 | 111.1 | E485 V564 T565 V584 | E485-S491 WeakPolarHBondContact OE1-CB 3.07Å; E485-S491 PolarHBondContact OE1-OG 3.48Å; S491-V564 WeakPolarHBondContact O-CA 3.22Å; S491-T565 PolarHBondContact N-OG1 2.87Å; S491-T565 PolarHBondContact O-N 2.96Å; S491-T565 PolarHBondContact O-OG1 3.27Å; S491-T565 WeakPolarHBondContact OG-CG2 3.39Å; S491-T565 PolarHBondContact OG-OG1 3.12Å; S491-V584 WeakPolarHBondContact CA-O 3.44Å |
| 492 | I | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 135.4 | 172.2 | -176.9 | 167.9 | 0 | 0 | 0 | 108.7 | W443 L445 M448 F562 V563 V564 A583 V584 F586 | W443-I492 HydrophobicContact CE3-CD1 4.18Å; W443-I492 HydrophobicContact CZ3-CD1 3.99Å; L445-I492 HydrophobicContact CD2-CD1 4.18Å; L445-I492 HydrophobicContact CD2-CG1 4.22Å; L445-I492 HydrophobicContact CD2-CG2 3.55Å; M448-I492 HydrophobicContact CE-CD1 3.87Å; M448-I492 HydrophobicContact SD-CD1 4.1Å; M448-I492 HydrophobicContact SD-CG2 3.79Å; I492-F562 HydrophobicContact CD1-CB 4.47Å; I492-F562 HydrophobicContact CD1-CD1 3.57Å; I492-F562 HydrophobicContact CD1-CE1 4.04Å; I492-F562 HydrophobicContact CD1-CG 4.24Å; I492-F562 HydrophobicContact CG1-CD1 3.72Å; I492-F562 HydrophobicContact CG1-CE1 4.41Å; I492-V563 WeakPolarHBondContact CA-O 3.25Å; I492-V564 HydrophobicContact CB-CG2 4.4Å; I492-V564 HydrophobicContact CD1-CG2 4.04Å; I492-V564 HydrophobicContact CG1-CG2 4.02Å; I492-A583 CarbonylContact O-C 3.51Å; I492-A583 WeakPolarHBondContact O-CA 3.23Å; I492-A583 WeakPolarHBondContact O-CB 3.39Å; I492-V584 HydrophobicContact CG2-CG1 3.73Å; I492-V584 PolarHBondContact N-O 2.9Å; I492-V584 PolarHBondContact O-N 2.72Å; I492-F586 HydrophobicContact CB-CD1 4.36Å; I492-F586 HydrophobicContact CB-CE1 3.88Å; I492-F586 HydrophobicContact CG2-CD1 3.97Å; I492-F586 HydrophobicContact CG2-CE1 4Å |
| 493 | N | 98 | Very high | 95.4 | Very high | 9 Ų | 9 | 15.6 Ų | 15.6 | 5% | 0.048 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 132.2 | 177.7 | -176.5 | -79.4 | 0 | 0 | 0 | 109.9 | W503 Q557 F562 V563 E582 A583 | N493-W503 HydrophobicContact CB-CH2 3.9Å; N493-W503 HydrophobicContact CB-CZ2 3.7Å; N493-Q557 PolarHBondContact O-NE2 2.84Å; N493-Q557 PolarHBondContact OD1-NE2 3.25Å; N493-Q557 PolarHBondContact OD1-OE1 2.8Å; N493-F562 CarbonylContact O-C 3.42Å; N493-F562 VanDerWaalsContact O-CA 3.26Å; N493-F562 WeakPolarHBondContact O-CA 3.35Å; N493-V563 PolarHBondContact N-O 3.45Å; N493-V563 PolarHBondContact O-N 2.68Å; N493-E582 CarbonylContact C-O 3.57Å; N493-E582 WeakPolarHBondContact CA-O 3.22Å; N493-A583 HydrophobicContact CB-CB 4.18Å |
| 494 | Y | 98.3 | Very high | 95.8 | Very high | 11 Ų | 11 | 14 Ų | 14 | 4% | 0.043 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 130.4 | 171.8 | -173.7 | -114 | 0 | 0 | 0 | 110.3 | W57 P59 F422 H496 G560 F562 A581 E582 | W57-Y494 HydrophobicContact CH2-CE2 4.46Å; W57-Y494 AromaticContact CZ3-CE2 3.79Å; W57-Y494 HydrophobicContact CZ3-CE2 3.79Å; W57-Y494 AromaticContact CZ3-CZ 3.86Å; P59-Y494 HydrophobicContact CG-CE1 4.16Å; P59-Y494 WeakPolarHBondContact CG-OH 3.29Å; F422-Y494 HydrophobicContact CE1-CD1 4.04Å; F422-Y494 HydrophobicContact CE1-CE1 4.03Å; F422-Y494 HydrophobicContact CE2-CD1 4.03Å; F422-Y494 HydrophobicContact CE2-CG 4.48Å; F422-Y494 AromaticContact CZ-CD1 3.36Å; F422-Y494 HydrophobicContact CZ-CD1 3.36Å; F422-Y494 AromaticContact CZ-CE1 3.84Å; F422-Y494 HydrophobicContact CZ-CE1 3.84Å; F422-Y494 AromaticContact CZ-CG 3.77Å; F422-Y494 HydrophobicContact CZ-CG 3.77Å; Y494-H496 HydrophobicContact CD1-CB 4.49Å; Y494-H496 AromaticContact CD1-CD2 3.98Å; Y494-H496 AromaticContact CD1-CE1 3.72Å; Y494-H496 AromaticContact CD1-CG 3.78Å; Y494-H496 AromaticContact CD1-ND1 3.63Å; Y494-H496 AromaticContact CD1-NE2 3.94Å; Y494-H496 HydrophobicContact CE1-CB 4.44Å; Y494-H496 AromaticContact CE1-CE1 3.92Å; Y494-H496 AromaticContact CE1-CG 3.94Å; Y494-H496 AromaticContact CE1-ND1 3.51Å; Y494-G560 WeakPolarHBondContact CE2-O 3.36Å; Y494-F562 AromaticContact CD2-CD1 3.65Å; Y494-F562 HydrophobicContact CD2-CD1 3.65Å; Y494-F562 AromaticContact CD2-CD2 3.81Å; Y494-F562 HydrophobicContact CD2-CD2 3.81Å; Y494-F562 AromaticContact CD2-CE1 3.47Å; Y494-F562 HydrophobicContact CD2-CE1 3.47Å; Y494-F562 VanDerWaalsContact CD2-CE1 3.47Å; Y494-F562 AromaticContact CD2-CE2 3.62Å; Y494-F562 HydrophobicContact CD2-CE2 3.62Å; Y494-F562 AromaticContact CD2-CG 3.83Å; Y494-F562 HydrophobicContact CD2-CG 3.83Å; Y494-F562 AromaticContact CD2-CZ 3.44Å; Y494-F562 HydrophobicContact CD2-CZ 3.44Å; Y494-F562 VanDerWaalsContact CD2-CZ 3.44Å; Y494-F562 HydrophobicContact CE2-CD2 4.14Å; Y494-F562 HydrophobicContact CE2-CE1 4.37Å; Y494-F562 AromaticContact CE2-CE2 3.77Å; Y494-F562 HydrophobicContact CE2-CE2 3.77Å; Y494-F562 AromaticContact CE2-CZ 3.89Å; Y494-F562 HydrophobicContact CE2-CZ 3.89Å; Y494-F562 HydrophobicContact CG-CD1 4.16Å; Y494-F562 AromaticContact CG-CE1 3.81Å; Y494-F562 HydrophobicContact CG-CE1 3.81Å; Y494-F562 HydrophobicContact CG-CZ 4.06Å; Y494-A581 CarbonylContact O-C 3.6Å; Y494-A581 WeakPolarHBondContact O-CA 3.41Å; Y494-A581 WeakPolarHBondContact O-CB 3.47Å; Y494-E582 PolarHBondContact N-O 3.34Å; Y494-E582 PolarHBondContact O-N 2.69Å |
| 495 | L | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 97.4 | 173.8 | -168.6 | 64.6 | 0 | 0 | 0 | 109 | K501 Q557 A559 G560 E561 N579 A581 | L495-K501 HydrophobicContact CD2-CB 4.4Å; L495-Q557 HydrophobicContact CB-CG 3.98Å; L495-Q557 HydrophobicContact CD2-CG 4.31Å; L495-Q557 WeakPolarHBondContact CD2-O 3.22Å; L495-A559 CarbonylContact O-C 3.59Å; L495-A559 WeakPolarHBondContact O-CA 3.35Å; L495-G560 PolarHBondContact O-N 3.24Å; L495-E561 PolarHBondContact N-O 3.38Å; L495-N579 HydrophobicContact CD1-CB 3.96Å; L495-A581 HydrophobicContact CD1-CB 3.79Å |
| 496 | H | 97.4 | Very high | 96.4 | Very high | 22 Ų | 22 | 12.3 Ų | 12.3 | 10% | 0.102 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | -50.5 | -177.6 | -78 | -79.8 | 0 | 0 | 0 | 111.9 | F61 F422 Y494 F580 E582 | F61-H496 HydrophobicContact CD2-CB 3.93Å; F61-H496 AromaticContact CD2-CG 3.9Å; F61-H496 AromaticContact CD2-ND1 3.88Å; F61-H496 HydrophobicContact CE2-CB 4Å; F61-H496 AromaticContact CE2-CG 3.96Å; F422-H496 AromaticContact CD2-CE1 3.59Å; F422-H496 AromaticContact CD2-NE2 3.78Å; F422-H496 AromaticContact CE2-CE1 3.56Å; F422-H496 AromaticContact CE2-NE2 3.63Å; F422-H496 AromaticContact CG-CE1 3.84Å; F422-H496 AromaticContact CZ-CE1 3.81Å; Y494-H496 HydrophobicContact CD1-CB 4.49Å; Y494-H496 AromaticContact CD1-CD2 3.98Å; Y494-H496 AromaticContact CD1-CE1 3.72Å; Y494-H496 AromaticContact CD1-CG 3.78Å; Y494-H496 AromaticContact CD1-ND1 3.63Å; Y494-H496 AromaticContact CD1-NE2 3.94Å; Y494-H496 HydrophobicContact CE1-CB 4.44Å; Y494-H496 AromaticContact CE1-CE1 3.92Å; Y494-H496 AromaticContact CE1-CG 3.94Å; Y494-H496 AromaticContact CE1-ND1 3.51Å; H496-F580 HydrophobicContact CB-CD1 4.17Å; H496-F580 AromaticContact CD2-CD1 3.81Å; H496-F580 AromaticContact CD2-CE1 3.85Å; H496-F580 PolarHBondContact N-O 3.31Å; H496-E582 IonicContact CD2-OE2 2.66Å; H496-E582 IonicContact CE1-OE2 2.64Å; H496-E582 IonicContact NE2-OE2 3.32Å; H496-E582 PolarHBondContact NE2-OE2 3.44Å |
| 497 | W | 96.7 | Very high | 96.9 | Very high | 55 Ų | 55 | 10.9 Ų | 10.9 | 21% | 0.208 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 167.3 | 179.4 | 51.8 | -100.7 | 0 | 0 | 0 | 112.3 | F61 V65 Y578 N579 F580 | F61-W497 AromaticContact CD1-NE1 3.56Å; F61-W497 AromaticContact CD2-CD1 3.81Å; F61-W497 AromaticContact CD2-NE1 3.54Å; F61-W497 HydrophobicContact CE1-CZ2 4.3Å; F61-W497 AromaticContact CE1-NE1 3.37Å; F61-W497 AromaticContact CE2-NE1 3.36Å; F61-W497 AromaticContact CG-CD1 3.93Å; F61-W497 AromaticContact CG-NE1 3.63Å; F61-W497 HydrophobicContact CZ-CZ2 4.18Å; F61-W497 AromaticContact CZ-NE1 3.27Å; F61-W497 VanDerWaalsContact CZ-NE1 3.27Å; V65-W497 HydrophobicContact CG2-CZ2 4.48Å; W497-Y578 AromaticContact CH2-CE1 4Å; W497-Y578 HydrophobicContact CH2-CE1 4Å; W497-Y578 AromaticContact CH2-CE2 3.9Å; W497-Y578 HydrophobicContact CH2-CE2 3.9Å; W497-Y578 AromaticContact CH2-CZ 3.45Å; W497-Y578 VanDerWaalsContact CH2-CZ 3.45Å; W497-Y578 VanDerWaalsContact CH2-OH 3.24Å; W497-Y578 WeakPolarHBondContact CH2-OH 3.36Å; W497-Y578 HydrophobicContact CZ3-CD1 4.13Å; W497-Y578 HydrophobicContact CZ3-CD2 4.42Å; W497-Y578 AromaticContact CZ3-CE1 3.61Å; W497-Y578 HydrophobicContact CZ3-CE1 3.61Å; W497-Y578 AromaticContact CZ3-CE2 3.93Å; W497-Y578 HydrophobicContact CZ3-CE2 3.93Å; W497-Y578 AromaticContact CZ3-CZ 3.51Å; W497-N579 WeakPolarHBondContact O-CB 3.4Å; W497-F580 HydrophobicContact CD2-CB 3.98Å; W497-F580 HydrophobicContact CE3-CB 4.22Å; W497-F580 HydrophobicContact CH2-CB 3.54Å; W497-F580 HydrophobicContact CH2-CG 4.42Å; W497-F580 HydrophobicContact CZ2-CB 3.3Å; W497-F580 HydrophobicContact CZ2-CD2 4.05Å; W497-F580 AromaticContact CZ2-CG 3.85Å; W497-F580 HydrophobicContact CZ2-CG 3.85Å; W497-F580 HydrophobicContact CZ3-CB 4.01Å; W497-F580 PolarHBondContact O-N 2.73Å |
| 498 | G | 95.8 | Very high | 97.1 | Very high | 37 Ų | 37 | 12.3 Ų | 12.3 | 38% | 0.381 | 7% | 0.07 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 105.4 | -165.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y578 | G498-Y578 CarbonylContact C-O 3.55Å; G498-Y578 VanDerWaalsContact CA-O 3.3Å; G498-Y578 WeakPolarHBondContact CA-O 3.45Å |
| 499 | E | 97.8 | Very high | 97.1 | Very high | 32 Ų | 32 | 18.3 Ų | 18.3 | 15% | 0.15 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -74.3 | 154.2 | -179.8 | -61.4 | -150.6 | 79 | 0 | 0 | 112.3 | K374 Q576 G577 Y578 N579 | K374-E499 WeakPolarHBondContact CD-OE2 3.28Å; K374-E499 IonicContact NZ-OE1 2.69Å; K374-E499 PolarHBondContact NZ-OE1 3.28Å; K374-E499 IonicContact NZ-OE2 2.67Å; K374-E499 PolarHBondContact NZ-OE2 2.82Å; E499-Q576 HydrophobicContact CB-CB 4.41Å; E499-G577 WeakPolarHBondContact OE2-CA 3.44Å; E499-Y578 PolarHBondContact N-O 3.02Å; E499-N579 VanDerWaalsContact O-CB 3.25Å; E499-N579 WeakPolarHBondContact O-CB 3.4Å; E499-N579 PolarHBondContact O-ND2 3.21Å |
| 500 | P | 98.1 | Very high | 97.1 | Very high | 25 Ų | 25 | 18.3 Ų | 18.3 | 16% | 0.162 | 10% | 0.098 | C | C | . | . | P | Polyproline II helix | trans | -60.9 | 155.8 | -169.1 | -24.5 | 34.3 | 0 | 0 | 0 | 115.1 | T387 N556 Q557 Q576 | T387-P500 HydrophobicContact CG2-CG 4.42Å; P500-N556 HydrophobicContact CB-CB 4.41Å; P500-Q557 CarbonylContact C-O 3.57Å; P500-Q557 WeakPolarHBondContact CA-O 3.35Å; P500-Q557 VanDerWaalsContact CB-O 3.28Å; P500-Q557 WeakPolarHBondContact CB-O 3.34Å; P500-Q576 HydrophobicContact CB-CB 4.5Å; P500-Q576 HydrophobicContact CB-CG 4.13Å; P500-Q576 WeakPolarHBondContact O-CB 3.42Å; P500-Q576 VanDerWaalsContact O-CG 3.26Å; P500-Q576 WeakPolarHBondContact O-CG 3.44Å; P500-Q576 PolarHBondContact O-N 3.1Å |
| 501 | K | 98.3 | Very high | 96.9 | Very high | 7 Ų | 7 | 18.2 Ų | 18.2 | 3% | 0.03 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 120.4 | 169.9 | -169.3 | -179.3 | -45.7 | -68.9 | 0 | 108.6 | F480 L495 W503 Q557 N575 N579 | F480-K501 HydrophobicContact CE1-CD 4.03Å; F480-K501 HydrophobicContact CE1-CG 4.07Å; F480-K501 HydrophobicContact CZ-CD 4.44Å; L495-K501 HydrophobicContact CD2-CB 4.4Å; K501-W503 HydrophobicContact CD-CZ2 3.77Å; K501-Q557 HydrophobicContact CB-CB 4.33Å; K501-Q557 PolarHBondContact N-O 2.79Å; K501-Q557 WeakPolarHBondContact O-CB 3.45Å; K501-Q557 PolarHBondContact O-N 3.4Å; K501-N575 WeakPolarHBondContact CG-OD1 3.37Å; K501-N575 PolarHBondContact NZ-OD1 3.07Å; K501-N579 PolarHBondContact NZ-OD1 3.35Å |
| 502 | T | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 124.2 | 176.8 | -64 | 0 | 0 | 0 | 0 | 109.1 | Y504 T555 N556 G573 F574 Q576 | T502-Y504 HydrophobicContact CG2-CE2 4.31Å; T502-T555 WeakPolarHBondContact CA-O 3.39Å; T502-N556 PolarHBondContact OG1-OD1 3.41Å; T502-G573 CarbonylContact O-C 3.59Å; T502-G573 WeakPolarHBondContact O-CA 3.48Å; T502-F574 HydrophobicContact CG2-CD1 4.42Å; T502-F574 HydrophobicContact CG2-CE1 3.63Å; T502-F574 HydrophobicContact CG2-CZ 3.8Å; T502-F574 PolarHBondContact N-O 2.86Å; T502-F574 PolarHBondContact O-N 3.17Å; T502-Q576 PolarHBondContact OG1-NE2 3.48Å |
| 503 | W | 98.3 | Very high | 96.3 | Very high | 12 Ų | 12 | 27.1 Ų | 27.1 | 5% | 0.045 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 149.7 | -179.2 | -67.9 | 79.3 | 0 | 0 | 0 | 111.1 | I48 F480 N493 K501 R554 T555 V563 T565 H571 S572 | I48-W503 HydrophobicContact CD1-CB 3.85Å; F480-W503 HydrophobicContact CE2-CD2 4.25Å; F480-W503 AromaticContact CE2-CE3 3.66Å; F480-W503 HydrophobicContact CE2-CE3 3.66Å; F480-W503 HydrophobicContact CE2-CH2 4.35Å; F480-W503 AromaticContact CE2-CZ3 3.73Å; F480-W503 HydrophobicContact CE2-CZ3 3.73Å; F480-W503 AromaticContact CZ-CD2 3.72Å; F480-W503 HydrophobicContact CZ-CD2 3.72Å; F480-W503 AromaticContact CZ-CE3 3.62Å; F480-W503 HydrophobicContact CZ-CE3 3.62Å; F480-W503 HydrophobicContact CZ-CG 4.3Å; F480-W503 HydrophobicContact CZ-CH2 4.25Å; F480-W503 HydrophobicContact CZ-CZ2 4.33Å; F480-W503 AromaticContact CZ-CZ3 3.9Å; F480-W503 HydrophobicContact CZ-CZ3 3.9Å; N493-W503 HydrophobicContact CB-CH2 3.9Å; N493-W503 HydrophobicContact CB-CZ2 3.7Å; K501-W503 HydrophobicContact CD-CZ2 3.77Å; W503-R554 CarbonylContact O-C 3.21Å; W503-R554 WeakPolarHBondContact O-CA 3.32Å; W503-R554 VanDerWaalsContact O-CB 3.3Å; W503-R554 WeakPolarHBondContact O-CB 3.35Å; W503-T555 HydrophobicContact CB-CG2 4.42Å; W503-T555 PolarHBondContact N-O 2.99Å; W503-T555 PolarHBondContact O-N 2.88Å; W503-V563 HydrophobicContact CD2-CB 4.49Å; W503-V563 HydrophobicContact CD2-CG1 3.92Å; W503-V563 HydrophobicContact CE3-CG1 4.12Å; W503-V563 HydrophobicContact CG-CG1 4.38Å; W503-V563 HydrophobicContact CG-CG2 4.5Å; W503-V563 HydrophobicContact CH2-CG1 4.44Å; W503-V563 HydrophobicContact CZ2-CB 4.2Å; W503-V563 HydrophobicContact CZ2-CG1 4.24Å; W503-V563 HydrophobicContact CZ3-CG1 4.37Å; W503-T565 HydrophobicContact CZ3-CG2 4.24Å; W503-H571 AromaticContact CZ3-CD2 3.68Å; W503-S572 CarbonylContact C-O 3.58Å |
| 504 | Y | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 140.6 | 162.5 | -54.8 | -75.1 | 0 | 0 | 0 | 109.3 | F13 P16 E391 W395 T502 P542 Y553 R554 H571 S572 F574 | F13-Y504 HydrophobicContact CZ-CE1 4.29Å; P16-Y504 HydrophobicContact CG-CD1 4.12Å; P16-Y504 HydrophobicContact CG-CE1 4.17Å; E391-Y504 VanDerWaalsContact CD-OH 3.31Å; E391-Y504 VanDerWaalsContact CG-OH 3.26Å; E391-Y504 WeakPolarHBondContact CG-OH 3.45Å; E391-Y504 WeakPolarHBondContact OE1-CE1 3.44Å; E391-Y504 PolarHBondContact OE1-OH 3.08Å; W395-Y504 HydrophobicContact CZ2-CD2 4.06Å; W395-Y504 AromaticContact CZ2-CE2 3.53Å; W395-Y504 HydrophobicContact CZ2-CE2 3.53Å; W395-Y504 AromaticContact NE1-CE2 3.86Å; W395-Y504 AromaticContact NE1-CZ 3.57Å; W395-Y504 PolarHBondContact NE1-OH 2.7Å; T502-Y504 HydrophobicContact CG2-CE2 4.31Å; Y504-P542 HydrophobicContact CD1-CB 4.36Å; Y504-P542 HydrophobicContact CD1-CG 3.64Å; Y504-P542 HydrophobicContact CD2-CG 4.15Å; Y504-P542 HydrophobicContact CE1-CG 3.85Å; Y504-P542 HydrophobicContact CE2-CG 4.32Å; Y504-P542 HydrophobicContact CG-CG 3.81Å; Y504-Y553 CarbonylContact C-O 3.58Å; Y504-Y553 VanDerWaalsContact CA-O 3.25Å; Y504-Y553 WeakPolarHBondContact CA-O 3.42Å; Y504-R554 HydrophobicContact CD1-CB 3.72Å; Y504-R554 HydrophobicContact CE1-CB 3.85Å; Y504-H571 WeakPolarHBondContact O-CA 3.48Å; Y504-H571 WeakPolarHBondContact O-CB 3.31Å; Y504-S572 PolarHBondContact N-O 2.94Å; Y504-S572 PolarHBondContact O-N 3.24Å; Y504-F574 HydrophobicContact CE2-CD1 4.3Å; Y504-F574 HydrophobicContact CE2-CE1 4.15Å |
| 505 | G | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 144 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y553 Y570 | G505-Y553 PolarHBondContact N-O 2.95Å; G505-Y553 PolarHBondContact O-N 3.38Å; G505-Y570 CarbonylContact C-O 3.58Å; G505-Y570 WeakPolarHBondContact CA-O 3.49Å |
| 506 | V | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 127.7 | -179.9 | 172.6 | 0 | 0 | 0 | 0 | 107.8 | W482 A510 L514 V550 V552 A569 Y570 | W482-V506 HydrophobicContact CH2-CG2 3.83Å; W482-V506 HydrophobicContact CZ3-CG2 3.81Å; V506-A510 HydrophobicContact CG1-CB 3.78Å; V506-L514 HydrophobicContact CB-CD1 4.31Å; V506-L514 HydrophobicContact CG1-CD1 4.24Å; V506-L514 HydrophobicContact CG2-CD1 3.98Å; V506-V550 HydrophobicContact CG1-CG1 3.67Å; V506-V550 HydrophobicContact CG2-CG1 4.12Å; V506-V552 HydrophobicContact CG2-CB 4.39Å; V506-V552 HydrophobicContact CG2-CG1 4.33Å; V506-V552 HydrophobicContact CG2-CG2 3.93Å; V506-A569 CarbonylContact O-C 3.57Å; V506-A569 VanDerWaalsContact O-CA 3.26Å; V506-A569 WeakPolarHBondContact O-CA 3.03Å; V506-A569 WeakPolarHBondContact O-CB 3.42Å; V506-Y570 PolarHBondContact N-O 2.81Å; V506-Y570 PolarHBondContact O-N 3.01Å |
| 507 | P | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -66.8 | 154.5 | -175.4 | 27.9 | -35.4 | 0 | 0 | 0 | 113.1 | E44 K45 H509 A510 A511 P551 | E44-P507 WeakPolarHBondContact O-CB 3.31Å; K45-P507 WeakPolarHBondContact O-CB 3.35Å; P507-H509 WeakPolarHBondContact CG-NE2 3.49Å; P507-H509 PolarHBondContact O-N 3.19Å; P507-H509 VanDerWaalsContact O-N 3.11Å; P507-A510 HydrophobicContact CG-CB 4.17Å; P507-A510 PolarHBondContact O-N 3.49Å; P507-A511 PolarHBondContact O-N 3.14Å; P507-P551 VanDerWaalsContact CD-O 3.32Å; P507-P551 WeakPolarHBondContact CD-O 3.34Å; P507-P551 HydrophobicContact CG-CB 4.45Å; P507-P551 HydrophobicContact CG-CG 3.78Å | ||
| 508 | S | 94.8 | Very high | 93.5 | Very high | 30 Ų | 30 | 30 Ų | 30 | 21% | 0.21 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -51 | -37.7 | -177.1 | 60.7 | 0 | 0 | 0 | 0 | 113.8 | A510 A511 P567 | S508-A510 PolarHBondContact O-N 3.29Å; S508-A511 WeakPolarHBondContact O-CB 3.39Å; S508-A511 PolarHBondContact O-N 3.04Å; S508-P567 WeakPolarHBondContact CB-O 3.35Å |
| 509 | H | 95 | Very high | 92.6 | Very high | 136 Ų | 136 | 33 Ų | 33 | 63% | 0.63 | 16% | 0.155 | S | C | * | . | G | 310 helix | trans | -72.6 | -9.4 | 179 | 73.5 | 69.7 | 0 | 0 | 0 | 114.6 | P507 | P507-H509 WeakPolarHBondContact CG-NE2 3.49Å; P507-H509 PolarHBondContact O-N 3.19Å; P507-H509 VanDerWaalsContact O-N 3.11Å |
| 510 | A | 95.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -110.4 | 0.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V506 P507 S508 E512 Q513 L514 V550 P551 | V506-A510 HydrophobicContact CG1-CB 3.78Å; P507-A510 HydrophobicContact CG-CB 4.17Å; P507-A510 PolarHBondContact O-N 3.49Å; S508-A510 PolarHBondContact O-N 3.29Å; A510-E512 PolarHBondContact O-N 3.22Å; A510-Q513 WeakPolarHBondContact O-CB 3.2Å; A510-Q513 PolarHBondContact O-N 3.31Å; A510-L514 PolarHBondContact O-N 3.23Å; A510-V550 HydrophobicContact CB-CG1 4.45Å; A510-P551 HydrophobicContact CB-CG 3.79Å |
| 511 | A | 92.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -54.2 | -49.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P507 S508 Q513 L514 E515 R568 Y570 | P507-A511 PolarHBondContact O-N 3.14Å; S508-A511 WeakPolarHBondContact O-CB 3.39Å; S508-A511 PolarHBondContact O-N 3.04Å; A511-Q513 VanDerWaalsContact C-N 3.3Å; A511-Q513 PolarHBondContact O-N 2.98Å; A511-L514 PolarHBondContact O-N 2.95Å; A511-L514 VanDerWaalsContact O-N 3.17Å; A511-E515 VanDerWaalsContact O-CG 3.26Å; A511-E515 WeakPolarHBondContact O-CG 3.42Å; A511-E515 PolarHBondContact O-N 3.2Å; A511-R568 HydrophobicContact CB-CG 3.99Å; A511-Y570 HydrophobicContact CB-CD2 3.78Å; A511-Y570 HydrophobicContact CB-CE2 3.88Å |
| 512 | E | 90 | Very high | 89.3 | Confident | 117 Ų | 117 | 38.4 Ų | 38.4 | 55% | 0.547 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -66.7 | -31.4 | -179 | -66.6 | -179.5 | 173.4 | 0 | 0 | 112.6 | A510 E515 E516 R568 | A510-E512 PolarHBondContact O-N 3.22Å; E512-E515 PolarHBondContact O-N 3.41Å; E512-E516 WeakPolarHBondContact O-CB 3.28Å; E512-E516 PolarHBondContact O-N 2.97Å; E512-R568 IonicContact OE1-CZ 2.65Å; E512-R568 VanDerWaalsContact OE1-CZ 3.28Å; E512-R568 IonicContact OE1-NH1 2.67Å; E512-R568 PolarHBondContact OE1-NH1 3.25Å; E512-R568 IonicContact OE1-NH2 2.68Å; E512-R568 PolarHBondContact OE1-NH2 3.3Å |
| 513 | Q | 91.9 | Very high | 88 | Confident | 76 Ų | 76 | 40.8 Ų | 40.8 | 36% | 0.355 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -69.5 | -39 | 174.2 | -168.8 | -172.1 | -10.4 | 0 | 0 | 111.4 | A510 A511 E516 V517 H548 G549 V550 | A510-Q513 WeakPolarHBondContact O-CB 3.2Å; A510-Q513 PolarHBondContact O-N 3.31Å; A511-Q513 VanDerWaalsContact C-N 3.3Å; A511-Q513 PolarHBondContact O-N 2.98Å; Q513-E516 PolarHBondContact O-N 2.66Å; Q513-V517 WeakPolarHBondContact O-CB 3.35Å; Q513-V517 VanDerWaalsContact O-CG2 3.24Å; Q513-V517 WeakPolarHBondContact O-CG2 3.45Å; Q513-V517 PolarHBondContact O-N 2.79Å; Q513-H548 PolarHBondContact NE2-O 3.43Å; Q513-H548 VanDerWaalsContact NE2-O 3.09Å; Q513-G549 PolarHBondContact NE2-O 2.8Å; Q513-V550 HydrophobicContact CB-CG2 4.31Å; Q513-V550 HydrophobicContact CG-CG2 3.8Å |
| 514 | L | 90.5 | Very high | 86.5 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.7 | -44.2 | 172.4 | 177.7 | 152.9 | 0 | 0 | 0 | 111.4 | W482 V506 A510 A511 E516 V517 M518 L533 L545 V550 Y570 | W482-L514 HydrophobicContact CD2-CD1 4.46Å; W482-L514 HydrophobicContact CE3-CD1 4.33Å; V506-L514 HydrophobicContact CB-CD1 4.31Å; V506-L514 HydrophobicContact CG1-CD1 4.24Å; V506-L514 HydrophobicContact CG2-CD1 3.98Å; A510-L514 PolarHBondContact O-N 3.23Å; A511-L514 PolarHBondContact O-N 2.95Å; A511-L514 VanDerWaalsContact O-N 3.17Å; L514-E516 PolarHBondContact O-N 3.47Å; L514-V517 PolarHBondContact O-N 3.29Å; L514-M518 HydrophobicContact CD1-CE 4.32Å; L514-M518 HydrophobicContact CD2-CE 3.64Å; L514-M518 HydrophobicContact CD2-CG 4.38Å; L514-M518 HydrophobicContact CD2-SD 3.89Å; L514-M518 HydrophobicContact CG-CE 3.98Å; L514-M518 WeakPolarHBondContact O-CG 3.21Å; L514-M518 PolarHBondContact O-N 3.33Å; L514-L533 HydrophobicContact CD2-CD2 4.1Å; L514-L545 HydrophobicContact CD1-CD1 3.97Å; L514-L545 HydrophobicContact CD1-CD2 4.22Å; L514-L545 HydrophobicContact CG-CD2 4.05Å; L514-V550 HydrophobicContact CB-CG1 4.33Å; L514-Y570 HydrophobicContact CD1-CG 4.1Å; L514-Y570 HydrophobicContact CD2-CD1 3.74Å; L514-Y570 HydrophobicContact CD2-CD2 4Å; L514-Y570 HydrophobicContact CD2-CE1 3.89Å; L514-Y570 HydrophobicContact CD2-CE2 4.12Å; L514-Y570 HydrophobicContact CD2-CG 3.8Å |
| 515 | E | 84.7 | Confident | 85 | Confident | 20 Ų | 20 | 45 Ų | 45 | 9% | 0.093 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.6 | -30.2 | 175.1 | -69.3 | 168.9 | -142.6 | 0 | 0 | 112.3 | A511 E512 R519 L533 R568 Y570 | A511-E515 VanDerWaalsContact O-CG 3.26Å; A511-E515 WeakPolarHBondContact O-CG 3.42Å; A511-E515 PolarHBondContact O-N 3.2Å; E512-E515 PolarHBondContact O-N 3.41Å; E515-R519 PolarHBondContact O-NH2 2.85Å; E515-L533 HydrophobicContact CB-CD1 4.05Å; E515-L533 HydrophobicContact CG-CD1 4.11Å; E515-L533 HydrophobicContact CG-CD2 4.39Å; E515-R568 IonicContact OE1-CZ 3.71Å; E515-R568 IonicContact OE1-NE 2.75Å; E515-R568 IonicContact OE1-NH2 3.14Å; E515-R568 PolarHBondContact OE1-NH2 2.98Å; E515-R568 IonicContact OE2-NH2 3.02Å; E515-Y570 HydrophobicContact CG-CE2 3.88Å; E515-Y570 WeakPolarHBondContact CG-OH 3.34Å |
| 516 | E | 86.4 | Confident | 83.3 | Confident | 125 Ų | 125 | 45.6 Ų | 45.6 | 58% | 0.584 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -83.3 | -46 | 175.8 | -170.6 | 154.1 | -131 | 0 | 0 | 112 | E512 Q513 L514 M518 R519 E520 | E512-E516 WeakPolarHBondContact O-CB 3.28Å; E512-E516 PolarHBondContact O-N 2.97Å; Q513-E516 PolarHBondContact O-N 2.66Å; L514-E516 PolarHBondContact O-N 3.47Å; E516-M518 PolarHBondContact O-N 3.38Å; E516-R519 CarbonylContact O-C 3.49Å; E516-R519 WeakPolarHBondContact O-CA 3Å; E516-R519 VanDerWaalsContact O-CB 3.27Å; E516-R519 WeakPolarHBondContact O-CB 3.41Å; E516-R519 PolarHBondContact O-N 3.49Å; E516-E520 PolarHBondContact O-N 3.25Å |
| 517 | V | 87.5 | Confident | 81.6 | Confident | 9 Ų | 9 | 53.4 Ų | 53.4 | 6% | 0.055 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.8 | -41.7 | 177.1 | 167.8 | 0 | 0 | 0 | 0 | 111.9 | Q513 L514 R519 E520 L521 L545 H548 V550 | Q513-V517 WeakPolarHBondContact O-CB 3.35Å; Q513-V517 VanDerWaalsContact O-CG2 3.24Å; Q513-V517 WeakPolarHBondContact O-CG2 3.45Å; Q513-V517 PolarHBondContact O-N 2.79Å; L514-V517 PolarHBondContact O-N 3.29Å; V517-R519 VanDerWaalsContact C-N 3.25Å; V517-R519 PolarHBondContact O-N 3.36Å; V517-E520 PolarHBondContact O-N 2.58Å; V517-L521 HydrophobicContact CG1-CD1 3.62Å; V517-L521 HydrophobicContact CG1-CG 4.35Å; V517-L521 WeakPolarHBondContact O-CB 3.14Å; V517-L521 WeakPolarHBondContact O-CG 2.92Å; V517-L521 PolarHBondContact O-N 2.89Å; V517-L521 VanDerWaalsContact O-N 3.08Å; V517-L545 HydrophobicContact CG1-CD2 4.07Å; V517-H548 HydrophobicContact CB-CB 4.43Å; V517-H548 HydrophobicContact CG1-CB 3.88Å; V517-H548 HydrophobicContact CG2-CB 3.58Å; V517-V550 HydrophobicContact CG2-CG2 4.24Å |
| 518 | M | 80.2 | Confident | 79.7 | Confident | 3 Ų | 3 | 56.9 Ų | 56.9 | 2% | 0.015 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.5 | -36.6 | 174 | -71.1 | -168.5 | 179.6 | 0 | 0 | 112.2 | W482 L514 E516 L521 A522 F526 L533 T538 M540 | W482-M518 HydrophobicContact CB-CE 3.77Å; W482-M518 VanDerWaalsContact CD1-CE 3.46Å; W482-M518 HydrophobicContact CD2-CE 4.5Å; W482-M518 HydrophobicContact CG-CE 3.66Å; L514-M518 HydrophobicContact CD1-CE 4.32Å; L514-M518 HydrophobicContact CD2-CE 3.64Å; L514-M518 HydrophobicContact CD2-CG 4.38Å; L514-M518 HydrophobicContact CD2-SD 3.89Å; L514-M518 HydrophobicContact CG-CE 3.98Å; L514-M518 WeakPolarHBondContact O-CG 3.21Å; L514-M518 PolarHBondContact O-N 3.33Å; E516-M518 PolarHBondContact O-N 3.38Å; M518-L521 PolarHBondContact O-N 3Å; M518-A522 PolarHBondContact O-N 3.35Å; M518-F526 HydrophobicContact CB-CE2 3.95Å; M518-F526 HydrophobicContact CB-CZ 3.98Å; M518-F526 VanDerWaalsContact O-CE2 3.32Å; M518-F526 WeakPolarHBondContact O-CE2 2.92Å; M518-L533 HydrophobicContact SD-CD2 3.58Å; M518-L533 VanDerWaalsContact SD-CD2 3.58Å; M518-T538 HydrophobicContact SD-CG2 4.43Å; M518-M540 HydrophobicContact CB-CE 4.41Å; M518-M540 HydrophobicContact CE-CB 3.92Å; M518-M540 HydrophobicContact CE-SD 4.45Å; M518-M540 HydrophobicContact CG-CE 3.89Å; M518-M540 HydrophobicContact CG-SD 3.94Å |
| 519 | R | 76.7 | Confident | 77.8 | Confident | 100 Ų | 100 | 57.5 Ų | 57.5 | 38% | 0.377 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -71.1 | -37 | 179.4 | -159.5 | -174 | -44.6 | -72.8 | -14.6 | 112.6 | E515 E516 V517 P523 F526 | E515-R519 PolarHBondContact O-NH2 2.85Å; E516-R519 CarbonylContact O-C 3.49Å; E516-R519 WeakPolarHBondContact O-CA 3Å; E516-R519 VanDerWaalsContact O-CB 3.27Å; E516-R519 WeakPolarHBondContact O-CB 3.41Å; E516-R519 PolarHBondContact O-N 3.49Å; V517-R519 VanDerWaalsContact C-N 3.25Å; V517-R519 PolarHBondContact O-N 3.36Å; R519-P523 VanDerWaalsContact O-CA 3.28Å; R519-P523 WeakPolarHBondContact O-CA 2.99Å; R519-P523 WeakPolarHBondContact O-CB 2.89Å; R519-P523 WeakPolarHBondContact O-CD 3.45Å; R519-F526 HydrophobicContact CB-CD2 4.3Å; R519-F526 HydrophobicContact CG-CB 4.16Å; R519-F526 HydrophobicContact CG-CD2 4.34Å; R519-F526 HydrophobicContact CG-CG 4.21Å |
| 520 | E | 82.2 | Confident | 76 | Confident | 134 Ų | 134 | 55.6 Ų | 55.6 | 63% | 0.626 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -68.6 | -36.8 | 173.9 | -69.4 | -164.2 | 141.1 | 0 | 0 | 112.6 | E516 V517 P523 | E516-E520 PolarHBondContact O-N 3.25Å; V517-E520 PolarHBondContact O-N 2.58Å; E520-P523 WeakPolarHBondContact O-CD 3.09Å |
| 521 | L | 74.2 | Confident | 74.2 | Confident | 42 Ų | 42 | 56.9 Ų | 56.9 | 22% | 0.22 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -82.8 | -31 | -174.9 | -65.1 | 172.7 | 0 | 0 | 0 | 113.6 | M83 V517 M518 M540 V544 | M83-L521 HydrophobicContact CE-CB 4.1Å; M83-L521 HydrophobicContact CE-CD1 3.99Å; M83-L521 HydrophobicContact CE-CD2 3.75Å; M83-L521 HydrophobicContact CE-CG 4.16Å; V517-L521 HydrophobicContact CG1-CD1 3.62Å; V517-L521 HydrophobicContact CG1-CG 4.35Å; V517-L521 WeakPolarHBondContact O-CB 3.14Å; V517-L521 WeakPolarHBondContact O-CG 2.92Å; V517-L521 PolarHBondContact O-N 2.89Å; V517-L521 VanDerWaalsContact O-N 3.08Å; M518-L521 PolarHBondContact O-N 3Å; L521-M540 HydrophobicContact CB-CE 4.13Å; L521-M540 HydrophobicContact CD1-CE 3.75Å; L521-M540 HydrophobicContact CD1-SD 3.76Å; L521-V544 HydrophobicContact CD1-CG1 3.52Å |
| 522 | A | 68.2 | Low | 72.7 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 2% | 0.017 | 29% | 0.287 | C | S | . | . | trans | -134 | 53.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | A82 V86 M518 E524 L525 F526 | A82-A522 HydrophobicContact CB-CB 3.97Å; V86-A522 HydrophobicContact CG2-CB 4.12Å; M518-A522 PolarHBondContact O-N 3.35Å; A522-E524 VanDerWaalsContact C-N 3.27Å; A522-E524 PolarHBondContact O-N 3.48Å; A522-L525 HydrophobicContact CB-CB 4.49Å; A522-L525 HydrophobicContact CB-CD1 4Å; A522-L525 HydrophobicContact CB-CG 4.3Å; A522-L525 WeakPolarHBondContact O-CB 3.45Å; A522-L525 PolarHBondContact O-N 3.3Å; A522-F526 WeakPolarHBondContact O-CD2 3.27Å | ||
| 523 | P | 71 | Confident | 71.2 | Confident | 50 Ų | 50 | 52 Ų | 52 | 33% | 0.325 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.2 | -35 | -172.8 | 22.9 | -34 | 0 | 0 | 0 | 113.4 | R519 E520 L525 F526 E527 | R519-P523 VanDerWaalsContact O-CA 3.28Å; R519-P523 WeakPolarHBondContact O-CA 2.99Å; R519-P523 WeakPolarHBondContact O-CB 2.89Å; R519-P523 WeakPolarHBondContact O-CD 3.45Å; E520-P523 WeakPolarHBondContact O-CD 3.09Å; P523-L525 PolarHBondContact O-N 3.04Å; P523-F526 PolarHBondContact O-N 2.89Å; P523-E527 PolarHBondContact O-N 3.31Å |
| 524 | E | 65.8 | Low | 69.5 | Low | 86 Ų | 86 | 49.1 Ų | 49.1 | 40% | 0.402 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -57.2 | -35.5 | 176.8 | -74.6 | 157.2 | -137 | 0 | 0 | 112.7 | V86 K122 A522 S528 | V86-E524 WeakPolarHBondContact CG1-OE2 3.23Å; K122-E524 WeakPolarHBondContact CE-OE1 3.1Å; K122-E524 IonicContact NZ-OE1 3.66Å; K122-E524 PolarHBondContact NZ-OE1 3.5Å; A522-E524 VanDerWaalsContact C-N 3.27Å; A522-E524 PolarHBondContact O-N 3.48Å; E524-S528 WeakPolarHBondContact O-CB 3.49Å; E524-S528 PolarHBondContact O-N 3.46Å |
| 525 | L | 66.5 | Low | 67.9 | Low | 14 Ų | 14 | 50.3 Ų | 50.3 | 7% | 0.073 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.5 | -43 | 175.3 | -63.6 | -178.7 | 0 | 0 | 0 | 111 | R85 V86 A522 P523 S528 Q529 L532 | R85-L525 HydrophobicContact CB-CD1 4.45Å; R85-L525 HydrophobicContact CG-CD1 4.45Å; R85-L525 HydrophobicContact CG-CD2 4.45Å; V86-L525 HydrophobicContact CG2-CD1 3.86Å; V86-L525 HydrophobicContact CG2-CD2 4.13Å; V86-L525 HydrophobicContact CG2-CG 3.63Å; A522-L525 HydrophobicContact CB-CB 4.49Å; A522-L525 HydrophobicContact CB-CD1 4Å; A522-L525 HydrophobicContact CB-CG 4.3Å; A522-L525 WeakPolarHBondContact O-CB 3.45Å; A522-L525 PolarHBondContact O-N 3.3Å; P523-L525 PolarHBondContact O-N 3.04Å; L525-S528 PolarHBondContact O-N 3.33Å; L525-S528 PolarHBondContact O-OG 3.14Å; L525-Q529 PolarHBondContact O-N 2.89Å; L525-L532 HydrophobicContact CB-CD2 3.56Å; L525-L532 HydrophobicContact CD1-CD2 4.17Å; L525-L532 HydrophobicContact CG-CD2 4.4Å |
| 526 | F | 62 | Low | 66.6 | Low | 13 Ų | 13 | 51.4 Ų | 51.4 | 6% | 0.057 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -74.6 | -28.5 | -179 | -72.3 | -73.7 | 0 | 0 | 0 | 114.6 | M518 R519 A522 P523 Q529 P530 L532 L533 | M518-F526 HydrophobicContact CB-CE2 3.95Å; M518-F526 HydrophobicContact CB-CZ 3.98Å; M518-F526 VanDerWaalsContact O-CE2 3.32Å; M518-F526 WeakPolarHBondContact O-CE2 2.92Å; R519-F526 HydrophobicContact CB-CD2 4.3Å; R519-F526 HydrophobicContact CG-CB 4.16Å; R519-F526 HydrophobicContact CG-CD2 4.34Å; R519-F526 HydrophobicContact CG-CG 4.21Å; A522-F526 WeakPolarHBondContact O-CD2 3.27Å; P523-F526 PolarHBondContact O-N 2.89Å; F526-Q529 CarbonylContact O-C 3.47Å; F526-P530 WeakPolarHBondContact O-CA 3.36Å; F526-L532 HydrophobicContact CD1-CB 4.32Å; F526-L532 HydrophobicContact CE1-CB 4.01Å; F526-L533 HydrophobicContact CD1-CD1 4.41Å; F526-L533 HydrophobicContact CE1-CB 4.3Å; F526-L533 HydrophobicContact CE1-CD1 3.52Å; F526-L533 HydrophobicContact CE1-CG 3.59Å; F526-L533 HydrophobicContact CZ-CD1 3.92Å; F526-L533 HydrophobicContact CZ-CG 3.79Å |
| 527 | E | 61.4 | Low | 65.5 | Low | 164 Ų | 164 | 46.6 Ų | 46.6 | 77% | 0.766 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -68.8 | -37.2 | 168.3 | -72.6 | -173.5 | 164.9 | 0 | 0 | 110.9 | P523 | P523-E527 PolarHBondContact O-N 3.31Å |
| 528 | S | 57.5 | Low | 64.7 | Low | 74 Ų | 74 | 46.8 Ų | 46.8 | 52% | 0.517 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -70.2 | -41.3 | 175.8 | 82.9 | 0 | 0 | 0 | 0 | 112.8 | E524 L525 | E524-S528 WeakPolarHBondContact O-CB 3.49Å; E524-S528 PolarHBondContact O-N 3.46Å; L525-S528 PolarHBondContact O-N 3.33Å; L525-S528 PolarHBondContact O-OG 3.14Å |
| 529 | Q | 54 | Low | 64.9 | Low | 42 Ų | 42 | 46.7 Ų | 46.7 | 20% | 0.196 | 24% | 0.241 | C | C | . | . | trans | -141.9 | 97 | 179.5 | -63.4 | -150.1 | 35 | 0 | 0 | 111 | F352 L525 F526 D531 L532 | F352-Q529 HydrophobicContact CE2-CG 4.36Å; L525-Q529 PolarHBondContact O-N 2.89Å; F526-Q529 CarbonylContact O-C 3.47Å; Q529-D531 PolarHBondContact O-N 2.89Å; Q529-D531 VanDerWaalsContact O-N 3.1Å; Q529-L532 HydrophobicContact CB-CB 4.34Å; Q529-L532 VanDerWaalsContact O-CB 3.32Å; Q529-L532 WeakPolarHBondContact O-CB 3.41Å; Q529-L532 PolarHBondContact O-N 3.19Å; Q529-L532 VanDerWaalsContact O-N 3.17Å | ||
| 530 | P | 57.4 | Low | 65.2 | Low | 97 Ų | 97 | 42 Ų | 42 | 63% | 0.63 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -22 | -179.4 | -28.5 | 36.6 | 0 | 0 | 0 | 115.3 | F526 | F526-P530 WeakPolarHBondContact O-CA 3.36Š|
| 531 | D | 57.9 | Low | 65.6 | Low | 27 Ų | 27 | 36.5 Ų | 36.5 | 14% | 0.144 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 7.1 | -177.6 | -158.1 | 42.2 | 0 | 0 | 0 | 113.5 | Q529 L533 H534 | Q529-D531 PolarHBondContact O-N 2.89Å; Q529-D531 VanDerWaalsContact O-N 3.1Å; D531-L533 PolarHBondContact O-N 2.92Å; D531-L533 VanDerWaalsContact O-N 3.12Å; D531-H534 WeakPolarHBondContact O-CB 3.12Å; D531-H534 PolarHBondContact O-N 3.05Å; D531-H534 IonicContact OD1-CE1 3.9Å; D531-H534 IonicContact OD1-CG 2.7Å; D531-H534 IonicContact OD1-ND1 2.9Å; D531-H534 PolarHBondContact OD1-ND1 3.22Å |
| 532 | L | 59.9 | Low | 66.5 | Low | 6 Ų | 6 | 34.5 Ų | 34.5 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -55.8 | -32.9 | -173.3 | -174.7 | 68.5 | 0 | 0 | 0 | 114.4 | F352 L525 F526 Q529 H534 Q535 V537 | F352-L532 HydrophobicContact CD2-CD1 4.25Å; L525-L532 HydrophobicContact CB-CD2 3.56Å; L525-L532 HydrophobicContact CD1-CD2 4.17Å; L525-L532 HydrophobicContact CG-CD2 4.4Å; F526-L532 HydrophobicContact CD1-CB 4.32Å; F526-L532 HydrophobicContact CE1-CB 4.01Å; Q529-L532 HydrophobicContact CB-CB 4.34Å; Q529-L532 VanDerWaalsContact O-CB 3.32Å; Q529-L532 WeakPolarHBondContact O-CB 3.41Å; Q529-L532 PolarHBondContact O-N 3.19Å; Q529-L532 VanDerWaalsContact O-N 3.17Å; L532-H534 PolarHBondContact O-N 2.84Å; L532-H534 VanDerWaalsContact O-N 3.09Å; L532-Q535 PolarHBondContact O-N 3.08Å; L532-Q535 VanDerWaalsContact O-N 3.07Å; L532-V537 HydrophobicContact CD1-CG2 3.49Å; L532-V537 VanDerWaalsContact CD1-CG2 3.49Å; L532-V537 HydrophobicContact CG-CG2 4.44Å |
| 533 | L | 60 | Low | 67.7 | Low | 9 Ų | 9 | 35.4 Ų | 35.4 | 5% | 0.047 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -56.4 | -20.9 | 173.4 | -90.5 | 149.7 | 0 | 0 | 0 | 113.5 | L514 E515 M518 F526 D531 Y570 | L514-L533 HydrophobicContact CD2-CD2 4.1Å; E515-L533 HydrophobicContact CB-CD1 4.05Å; E515-L533 HydrophobicContact CG-CD1 4.11Å; E515-L533 HydrophobicContact CG-CD2 4.39Å; M518-L533 HydrophobicContact SD-CD2 3.58Å; M518-L533 VanDerWaalsContact SD-CD2 3.58Å; F526-L533 HydrophobicContact CD1-CD1 4.41Å; F526-L533 HydrophobicContact CE1-CB 4.3Å; F526-L533 HydrophobicContact CE1-CD1 3.52Å; F526-L533 HydrophobicContact CE1-CG 3.59Å; F526-L533 HydrophobicContact CZ-CD1 3.92Å; F526-L533 HydrophobicContact CZ-CG 3.79Å; D531-L533 PolarHBondContact O-N 2.92Å; D531-L533 VanDerWaalsContact O-N 3.12Å; L533-Y570 HydrophobicContact CD2-CE1 4.03Å |
| 534 | H | 55.6 | Low | 68.5 | Low | 15 Ų | 15 | 34.5 Ų | 34.5 | 7% | 0.069 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -106.7 | 2.2 | -178.9 | -56 | 127.7 | 0 | 0 | 0 | 113.7 | D531 L532 L605 R607 | D531-H534 WeakPolarHBondContact O-CB 3.12Å; D531-H534 PolarHBondContact O-N 3.05Å; D531-H534 IonicContact OD1-CE1 3.9Å; D531-H534 IonicContact OD1-CG 2.7Å; D531-H534 IonicContact OD1-ND1 2.9Å; D531-H534 PolarHBondContact OD1-ND1 3.22Å; L532-H534 PolarHBondContact O-N 2.84Å; L532-H534 VanDerWaalsContact O-N 3.09Å; H534-L605 WeakPolarHBondContact CE1-CD1 3.38Å; H534-R607 VanDerWaalsContact CB-NH1 3.3Å; H534-R607 PolarHBondContact CD2-NH1 3.45Å |
| 535 | Q | 56.3 | Low | 69.8 | Low | 25 Ų | 25 | 30.4 Ų | 30.4 | 12% | 0.117 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 5.3 | -176.4 | -68 | -178.3 | 3 | 0 | 0 | 114.1 | L532 V537 | L532-Q535 PolarHBondContact O-N 3.08Å; L532-Q535 VanDerWaalsContact O-N 3.07Å; Q535-V537 HydrophobicContact CB-CG2 4.12Å; Q535-V537 WeakPolarHBondContact O-CG1 3.48Å; Q535-V537 PolarHBondContact O-N 2.83Å; Q535-V537 VanDerWaalsContact O-N 3.14Å |
| 536 | L | 58.4 | Low | 71.1 | Confident | 43 Ų | 43 | 33 Ų | 33 | 23% | 0.225 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 19.3 | 173.2 | -85.1 | 156.8 | 0 | 0 | 0 | 116 | A244 C481 H483 | A244-L536 HydrophobicContact CB-CD1 4.1Å; A244-L536 WeakPolarHBondContact O-CD1 3.31Å; C481-L536 VanDerWaalsContact CB-O 3.25Å; C481-L536 WeakPolarHBondContact CB-O 3.29Å; C481-L536 PolarHBondContact SG-O 3.19Å; H483-L536 HydrophobicContact CB-CD2 3.62Å; H483-L536 HydrophobicContact CB-CG 4.1Å |
| 537 | V | 63.3 | Low | 72.5 | Confident | 24 Ų | 24 | 39.4 Ų | 39.4 | 15% | 0.145 | 21% | 0.21 | C | C | . | . | trans | -107 | -13 | -172.7 | -72.2 | 0 | 0 | 0 | 0 | 116.3 | F352 C481 L532 Q535 | F352-V537 HydrophobicContact CB-CB 4.38Å; F352-V537 HydrophobicContact CB-CG1 3.99Å; F352-V537 HydrophobicContact CB-CG2 4.09Å; C481-V537 VanDerWaalsContact SG-C 3.54Å; L532-V537 HydrophobicContact CD1-CG2 3.49Å; L532-V537 VanDerWaalsContact CD1-CG2 3.49Å; L532-V537 HydrophobicContact CG-CG2 4.44Å; Q535-V537 HydrophobicContact CB-CG2 4.12Å; Q535-V537 WeakPolarHBondContact O-CG1 3.48Å; Q535-V537 PolarHBondContact O-N 2.83Å; Q535-V537 VanDerWaalsContact O-N 3.14Å | ||
| 538 | T | 70.5 | Confident | 74 | Confident | 13 Ų | 13 | 35.2 Ų | 35.2 | 8% | 0.08 | 19% | 0.19 | C | C | . | . | trans | -112.8 | 127.1 | -177.8 | -161.3 | 0 | 0 | 0 | 0 | 113.1 | L80 A82 C481 W482 M518 | L80-T538 CarbonylContact O-C 3.57Å; L80-T538 WeakPolarHBondContact O-CA 3.39Å; A82-T538 WeakPolarHBondContact CB-OG1 3.43Å; C481-T538 VanDerWaalsContact CB-O 3.26Å; C481-T538 WeakPolarHBondContact CB-O 3.47Å; W482-T538 PolarHBondContact N-O 3.08Å; M518-T538 HydrophobicContact SD-CG2 4.43Å | ||
| 539 | I | 83.6 | Confident | 75.7 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -93.5 | 161.3 | 161.3 | -150.8 | 171.2 | 0 | 0 | 0 | 109.5 | L80 E81 A82 F394 W395 V398 | L80-I539 HydrophobicContact CB-CB 4.44Å; L80-I539 HydrophobicContact CB-CG2 3.78Å; L80-I539 PolarHBondContact O-N 3.02Å; E81-I539 HydrophobicContact CB-CG2 3.98Å; A82-I539 PolarHBondContact N-O 3.13Å; F394-I539 HydrophobicContact CE1-CD1 3.73Å; F394-I539 HydrophobicContact CZ-CD1 3.69Å; W395-I539 HydrophobicContact CH2-CD1 3.43Å; W395-I539 VanDerWaalsContact CH2-CD1 3.43Å; W395-I539 HydrophobicContact CH2-CG1 3.67Å; W395-I539 HydrophobicContact CZ2-CD1 4.27Å; W395-I539 HydrophobicContact CZ3-CD1 3.83Å; W395-I539 HydrophobicContact CZ3-CG1 4.01Å; W395-I539 HydrophobicContact CZ3-CG2 4.34Å; V398-I539 HydrophobicContact CG1-CG2 3.62Å |
| 540 | M | 84 | Confident | 77.6 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | trans | -147.2 | 130.7 | 171.4 | -178.6 | 166.6 | -74.4 | 0 | 0 | 108.6 | E81 A82 W482 M518 L521 P542 V544 L545 | E81-M540 VanDerWaalsContact OE2-CA 3.25Å; E81-M540 WeakPolarHBondContact OE2-CA 3.47Å; A82-M540 HydrophobicContact CB-CE 4.08Å; W482-M540 VanDerWaalsContact CD1-N 3.34Å; W482-M540 PolarHBondContact NE1-O 3.41Å; M518-M540 HydrophobicContact CB-CE 4.41Å; M518-M540 HydrophobicContact CE-CB 3.92Å; M518-M540 HydrophobicContact CE-SD 4.45Å; M518-M540 HydrophobicContact CG-CE 3.89Å; M518-M540 HydrophobicContact CG-SD 3.94Å; L521-M540 HydrophobicContact CB-CE 4.13Å; L521-M540 HydrophobicContact CD1-CE 3.75Å; L521-M540 HydrophobicContact CD1-SD 3.76Å; M540-P542 WeakPolarHBondContact O-CD 3.48Å; M540-V544 HydrophobicContact SD-CG1 4.48Å; M540-L545 HydrophobicContact CG-CD2 4.5Å; M540-L545 HydrophobicContact CG-CG 4.26Å; M540-L545 HydrophobicContact SD-CD2 3.79Å; M540-L545 HydrophobicContact SD-CG 4.15Å | ||
| 541 | N | 90 | Very high | 79.5 | Confident | 20 Ų | 20 | 29.2 Ų | 29.2 | 11% | 0.107 | 16% | 0.162 | C | C | . | . | trans | -57.6 | 124.7 | -179.6 | -171.2 | -39.3 | 0 | 0 | 0 | 112.8 | E81 W395 N543 V544 L545 | E81-N541 PolarHBondContact OE2-N 3.36Å; W395-N541 HydrophobicContact CE3-CB 3.91Å; W395-N541 VanDerWaalsContact CZ3-CA 3.47Å; W395-N541 HydrophobicContact CZ3-CB 4.02Å; N541-N543 PolarHBondContact O-N 3Å; N541-N543 VanDerWaalsContact O-N 3.13Å; N541-N543 WeakPolarHBondContact OD1-CB 3.3Å; N541-N543 PolarHBondContact OD1-N 3.38Å; N541-V544 HydrophobicContact CB-CG2 4.17Å; N541-V544 WeakPolarHBondContact O-CB 3.37Å; N541-V544 PolarHBondContact O-N 2.6Å; N541-L545 PolarHBondContact O-N 3.41Å | ||
| 542 | P | 92.5 | Very high | 81.4 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -47.5 | -37.8 | 176.4 | -33.4 | 36.2 | 0 | 0 | 0 | 115.1 | F13 P16 W395 W482 Y504 M540 V544 L545 M546 V552 | F13-P542 HydrophobicContact CE2-CB 4.45Å; F13-P542 HydrophobicContact CE2-CG 4.39Å; P16-P542 HydrophobicContact CG-CB 3.68Å; P16-P542 HydrophobicContact CG-CG 4.46Å; W395-P542 HydrophobicContact CH2-CG 4.34Å; W395-P542 HydrophobicContact CZ2-CG 3.78Å; W482-P542 HydrophobicContact CZ2-CG 4.47Å; Y504-P542 HydrophobicContact CD1-CB 4.36Å; Y504-P542 HydrophobicContact CD1-CG 3.64Å; Y504-P542 HydrophobicContact CD2-CG 4.15Å; Y504-P542 HydrophobicContact CE1-CG 3.85Å; Y504-P542 HydrophobicContact CE2-CG 4.32Å; Y504-P542 HydrophobicContact CG-CG 3.81Å; M540-P542 WeakPolarHBondContact O-CD 3.48Å; P542-V544 VanDerWaalsContact C-N 3.26Å; P542-V544 PolarHBondContact O-N 3.18Å; P542-L545 PolarHBondContact O-N 3.14Å; P542-M546 WeakPolarHBondContact O-CB 3.11Å; P542-M546 VanDerWaalsContact O-CG 3.28Å; P542-M546 WeakPolarHBondContact O-CG 3.08Å; P542-M546 PolarHBondContact O-N 3.32Å; P542-V552 HydrophobicContact CB-CG1 4.07Å |
| 543 | N | 93.4 | Very high | 83.2 | Confident | 21 Ų | 21 | 30.7 Ų | 30.7 | 11% | 0.112 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.9 | -41.6 | 176.8 | -75.1 | 46 | 0 | 0 | 0 | 111.6 | F13 V14 N541 M546 E547 | F13-N543 WeakPolarHBondContact CD2-OD1 3.35Å; F13-N543 WeakPolarHBondContact CE2-OD1 3.38Å; V14-N543 PolarHBondContact N-ND2 3.22Å; V14-N543 PolarHBondContact N-OD1 3.07Å; V14-N543 PolarHBondContact O-OD1 2.94Å; N541-N543 PolarHBondContact O-N 3Å; N541-N543 VanDerWaalsContact O-N 3.13Å; N541-N543 WeakPolarHBondContact OD1-CB 3.3Å; N541-N543 PolarHBondContact OD1-N 3.38Å; N543-M546 PolarHBondContact O-N 2.86Å; N543-E547 WeakPolarHBondContact O-CB 3.29Å; N543-E547 WeakPolarHBondContact O-CG 3.45Å; N543-E547 PolarHBondContact O-N 3.24Å |
| 544 | V | 89.5 | Confident | 85 | Confident | 30 Ų | 30 | 31 Ų | 31 | 18% | 0.182 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.8 | -41.8 | -178.1 | -179.5 | 0 | 0 | 0 | 0 | 110.5 | M83 L521 M540 N541 P542 E547 H548 | M83-V544 HydrophobicContact CE-CG1 4.16Å; L521-V544 HydrophobicContact CD1-CG1 3.52Å; M540-V544 HydrophobicContact SD-CG1 4.48Å; N541-V544 HydrophobicContact CB-CG2 4.17Å; N541-V544 WeakPolarHBondContact O-CB 3.37Å; N541-V544 PolarHBondContact O-N 2.6Å; P542-V544 VanDerWaalsContact C-N 3.26Å; P542-V544 PolarHBondContact O-N 3.18Å; V544-E547 PolarHBondContact O-N 3.07Å; V544-H548 PolarHBondContact O-N 3.25Å; V544-H548 PolarHBondContact O-ND1 3.13Å |
| 545 | L | 91.5 | Very high | 87 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.5 | -45.9 | 174 | -69.1 | 172.2 | 0 | 0 | 0 | 111.1 | W482 L514 V517 M540 N541 P542 E547 H548 G549 V550 V552 | W482-L545 HydrophobicContact CH2-CD1 4.24Å; W482-L545 HydrophobicContact CZ2-CD1 3.52Å; L514-L545 HydrophobicContact CD1-CD1 3.97Å; L514-L545 HydrophobicContact CD1-CD2 4.22Å; L514-L545 HydrophobicContact CG-CD2 4.05Å; V517-L545 HydrophobicContact CG1-CD2 4.07Å; M540-L545 HydrophobicContact CG-CD2 4.5Å; M540-L545 HydrophobicContact CG-CG 4.26Å; M540-L545 HydrophobicContact SD-CD2 3.79Å; M540-L545 HydrophobicContact SD-CG 4.15Å; N541-L545 PolarHBondContact O-N 3.41Å; P542-L545 PolarHBondContact O-N 3.14Å; L545-E547 PolarHBondContact O-N 3.4Å; L545-H548 CarbonylContact O-C 3.5Å; L545-H548 PolarHBondContact O-N 2.88Å; L545-G549 PolarHBondContact O-N 2.72Å; L545-V550 HydrophobicContact CB-CB 4.06Å; L545-V550 HydrophobicContact CB-CG1 4.41Å; L545-V550 HydrophobicContact CD2-CG2 4.42Å; L545-V550 WeakPolarHBondContact O-CB 3.42Å; L545-V550 PolarHBondContact O-N 3.46Å; L545-V552 HydrophobicContact CB-CG2 3.75Å; L545-V552 HydrophobicContact CD1-CG2 4.23Å |
| 546 | M | 93.9 | Very high | 89 | Confident | 69 Ų | 69 | 30 Ų | 30 | 34% | 0.34 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -63.8 | -37.2 | 177.3 | -69.3 | 166.8 | 61.9 | 0 | 0 | 113 | P16 P542 N543 H548 G549 V550 V552 | P16-M546 HydrophobicContact CB-CE 4.44Å; P16-M546 HydrophobicContact CB-SD 3.77Å; P16-M546 HydrophobicContact CG-SD 3.8Å; P542-M546 WeakPolarHBondContact O-CB 3.11Å; P542-M546 VanDerWaalsContact O-CG 3.28Å; P542-M546 WeakPolarHBondContact O-CG 3.08Å; P542-M546 PolarHBondContact O-N 3.32Å; N543-M546 PolarHBondContact O-N 2.86Å; M546-H548 VanDerWaalsContact C-N 3.29Å; M546-H548 PolarHBondContact O-N 3.1Å; M546-G549 WeakPolarHBondContact O-CA 3.37Å; M546-G549 PolarHBondContact O-N 3.36Å; M546-V550 WeakPolarHBondContact CA-O 3.27Å; M546-V552 HydrophobicContact CG-CB 3.95Å; M546-V552 HydrophobicContact CG-CG2 3.85Å; M546-V552 HydrophobicContact SD-CB 4.21Å |
| 547 | E | 92.4 | Very high | 90.9 | Very high | 147 Ų | 147 | 28 Ų | 28 | 69% | 0.687 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -65.1 | -30.7 | 174.4 | -78.4 | 176.2 | -162.6 | 0 | 0 | 112.7 | N543 V544 L545 G549 | N543-E547 WeakPolarHBondContact O-CB 3.29Å; N543-E547 WeakPolarHBondContact O-CG 3.45Å; N543-E547 PolarHBondContact O-N 3.24Å; V544-E547 PolarHBondContact O-N 3.07Å; L545-E547 PolarHBondContact O-N 3.4Å; E547-G549 PolarHBondContact O-N 3.15Å |
| 548 | H | 92.4 | Very high | 92.6 | Very high | 76 Ų | 76 | 29.4 Ų | 29.4 | 35% | 0.352 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 12.6 | 171.2 | -62.8 | 74.5 | 0 | 0 | 0 | 112.8 | Q513 V517 V544 L545 M546 V550 | Q513-H548 PolarHBondContact NE2-O 3.43Å; Q513-H548 VanDerWaalsContact NE2-O 3.09Å; V517-H548 HydrophobicContact CB-CB 4.43Å; V517-H548 HydrophobicContact CG1-CB 3.88Å; V517-H548 HydrophobicContact CG2-CB 3.58Å; V544-H548 PolarHBondContact O-N 3.25Å; V544-H548 PolarHBondContact O-ND1 3.13Å; L545-H548 CarbonylContact O-C 3.5Å; L545-H548 PolarHBondContact O-N 2.88Å; M546-H548 VanDerWaalsContact C-N 3.29Å; M546-H548 PolarHBondContact O-N 3.1Å; H548-V550 VanDerWaalsContact C-N 3.35Å; H548-V550 PolarHBondContact O-N 2.91Å |
| 549 | G | 92.9 | Very high | 93.9 | Very high | 49 Ų | 49 | 31.2 Ų | 31.2 | 51% | 0.505 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 14.2 | 174 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q513 L545 M546 E547 | Q513-G549 PolarHBondContact NE2-O 2.8Å; L545-G549 PolarHBondContact O-N 2.72Å; M546-G549 WeakPolarHBondContact O-CA 3.37Å; M546-G549 PolarHBondContact O-N 3.36Å; E547-G549 PolarHBondContact O-N 3.15Å |
| 550 | V | 94.9 | Very high | 94.5 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | trans | -77.1 | 124.1 | 172 | 178.1 | 0 | 0 | 0 | 0 | 108.3 | V506 A510 Q513 L514 V517 L545 M546 H548 V552 | V506-V550 HydrophobicContact CG1-CG1 3.67Å; V506-V550 HydrophobicContact CG2-CG1 4.12Å; A510-V550 HydrophobicContact CB-CG1 4.45Å; Q513-V550 HydrophobicContact CB-CG2 4.31Å; Q513-V550 HydrophobicContact CG-CG2 3.8Å; L514-V550 HydrophobicContact CB-CG1 4.33Å; V517-V550 HydrophobicContact CG2-CG2 4.24Å; L545-V550 HydrophobicContact CB-CB 4.06Å; L545-V550 HydrophobicContact CB-CG1 4.41Å; L545-V550 HydrophobicContact CD2-CG2 4.42Å; L545-V550 WeakPolarHBondContact O-CB 3.42Å; L545-V550 PolarHBondContact O-N 3.46Å; M546-V550 WeakPolarHBondContact CA-O 3.27Å; H548-V550 VanDerWaalsContact C-N 3.35Å; H548-V550 PolarHBondContact O-N 2.91Å; V550-V552 HydrophobicContact CG1-CG2 4.46Å; V550-V552 PolarHBondContact O-N 2.83Å | ||
| 551 | P | 96.8 | Very high | 95.2 | Very high | 37 Ų | 37 | 33 Ų | 33 | 24% | 0.24 | 19% | 0.193 | C | C | . | . | trans | -70.1 | 112.7 | 175.1 | 27.2 | -32.8 | 0 | 0 | 0 | 110.5 | P507 A510 Y553 | P507-P551 VanDerWaalsContact CD-O 3.32Å; P507-P551 WeakPolarHBondContact CD-O 3.34Å; P507-P551 HydrophobicContact CG-CB 4.45Å; P507-P551 HydrophobicContact CG-CG 3.78Å; A510-P551 HydrophobicContact CB-CG 3.79Å; P551-Y553 HydrophobicContact CB-CE2 4.12Å | ||
| 552 | V | 97.4 | Very high | 95.6 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | trans | -110.3 | 135.5 | 172.7 | -169.6 | 0 | 0 | 0 | 0 | 109.6 | P16 P17 W482 V506 P542 L545 M546 V550 | P16-V552 HydrophobicContact CB-CB 4.49Å; P16-V552 HydrophobicContact CB-CG1 4.43Å; P16-V552 HydrophobicContact CG-CG1 4.29Å; P17-V552 WeakPolarHBondContact CD-O 3.28Å; P17-V552 WeakPolarHBondContact CG-O 3.46Å; W482-V552 HydrophobicContact CH2-CG1 4.03Å; V506-V552 HydrophobicContact CG2-CB 4.39Å; V506-V552 HydrophobicContact CG2-CG1 4.33Å; V506-V552 HydrophobicContact CG2-CG2 3.93Å; P542-V552 HydrophobicContact CB-CG1 4.07Å; L545-V552 HydrophobicContact CB-CG2 3.75Å; L545-V552 HydrophobicContact CD1-CG2 4.23Å; M546-V552 HydrophobicContact CG-CB 3.95Å; M546-V552 HydrophobicContact CG-CG2 3.85Å; M546-V552 HydrophobicContact SD-CB 4.21Å; V550-V552 HydrophobicContact CG1-CG2 4.46Å; V550-V552 PolarHBondContact O-N 2.83Å | ||
| 553 | Y | 98.1 | Very high | 95.9 | Very high | 61 Ų | 61 | 32 Ų | 32 | 24% | 0.239 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 161.4 | 171.6 | -60.2 | -89.1 | 0 | 0 | 0 | 109.7 | P17 T46 Y504 G505 P551 | P17-Y553 HydrophobicContact CB-CD1 4.18Å; P17-Y553 HydrophobicContact CB-CE1 4.43Å; P17-Y553 HydrophobicContact CG-CD1 3.78Å; P17-Y553 HydrophobicContact CG-CE1 3.97Å; P17-Y553 CarbonylContact O-C 3.51Å; P17-Y553 VanDerWaalsContact O-CA 3.24Å; P17-Y553 WeakPolarHBondContact O-CA 3.23Å; T46-Y553 HydrophobicContact CG2-CD1 3.65Å; T46-Y553 HydrophobicContact CG2-CD2 3.85Å; T46-Y553 HydrophobicContact CG2-CE1 3.63Å; T46-Y553 HydrophobicContact CG2-CE2 3.83Å; T46-Y553 HydrophobicContact CG2-CG 3.77Å; Y504-Y553 CarbonylContact C-O 3.58Å; Y504-Y553 VanDerWaalsContact CA-O 3.25Å; Y504-Y553 WeakPolarHBondContact CA-O 3.42Å; G505-Y553 PolarHBondContact N-O 2.95Å; G505-Y553 PolarHBondContact O-N 3.38Å; P551-Y553 HydrophobicContact CB-CE2 4.12Å |
| 554 | R | 97.8 | Very high | 96.1 | Very high | 14 Ų | 14 | 31 Ų | 31 | 5% | 0.053 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 166.5 | 176 | 52.5 | 155.4 | -83.2 | 122.7 | 9.6 | 113.4 | P16 P17 E18 C19 E391 W503 Y504 N556 | P16-R554 HydrophobicContact CB-CB 4.48Å; P16-R554 HydrophobicContact CB-CG 4.02Å; P16-R554 HydrophobicContact CG-CG 4.4Å; P16-R554 VanDerWaalsContact O-CD 3.3Å; P16-R554 WeakPolarHBondContact O-CD 3.38Å; P16-R554 WeakPolarHBondContact O-CG 3.32Å; P17-R554 PolarHBondContact O-N 3.47Å; E18-R554 CarbonylContact C-O 3.52Å; E18-R554 VanDerWaalsContact CA-O 3.25Å; E18-R554 WeakPolarHBondContact CA-O 3.34Å; E18-R554 IonicContact OE1-CZ 2.92Å; E18-R554 IonicContact OE1-NE 3.94Å; E18-R554 PolarHBondContact OE1-NE 2.96Å; E18-R554 IonicContact OE1-NH2 2.68Å; E18-R554 PolarHBondContact OE1-NH2 3.28Å; C19-R554 PolarHBondContact N-O 2.83Å; E391-R554 IonicContact OE1-CZ 2.72Å; E391-R554 IonicContact OE1-NH1 3.26Å; E391-R554 PolarHBondContact OE1-NH1 2.84Å; E391-R554 IonicContact OE2-CZ 2.63Å; E391-R554 IonicContact OE2-NH1 2.73Å; E391-R554 PolarHBondContact OE2-NH1 3.17Å; W503-R554 CarbonylContact O-C 3.21Å; W503-R554 WeakPolarHBondContact O-CA 3.32Å; W503-R554 VanDerWaalsContact O-CB 3.3Å; W503-R554 WeakPolarHBondContact O-CB 3.35Å; Y504-R554 HydrophobicContact CD1-CB 3.72Å; Y504-R554 HydrophobicContact CE1-CB 3.85Å; R554-N556 PolarHBondContact NH1-OD1 2.89Å; R554-N556 PolarHBondContact NH2-ND2 2.93Å; R554-N556 PolarHBondContact NH2-OD1 3.04Å |
| 555 | T | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 159.2 | 155.2 | -160.3 | 0 | 0 | 0 | 0 | 112.7 | E18 K50 T502 W503 V563 | E18-T555 WeakPolarHBondContact OE1-CA 3.42Å; E18-T555 VanDerWaalsContact OE2-CA 3.3Å; E18-T555 WeakPolarHBondContact OE2-CA 3.2Å; E18-T555 VanDerWaalsContact OE2-CB 3.23Å; E18-T555 WeakPolarHBondContact OE2-CB 3.45Å; E18-T555 PolarHBondContact OE2-OG1 3.04Å; K50-T555 HydrophobicContact CB-CG2 4.33Å; K50-T555 HydrophobicContact CD-CG2 3.98Å; T502-T555 WeakPolarHBondContact CA-O 3.39Å; W503-T555 HydrophobicContact CB-CG2 4.42Å; W503-T555 PolarHBondContact N-O 2.99Å; W503-T555 PolarHBondContact O-N 2.88Å; T555-V563 HydrophobicContact CG2-CG2 4.42Å |
| 556 | N | 98 | Very high | 96.8 | Very high | 21 Ų | 21 | 29.8 Ų | 29.8 | 11% | 0.112 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 113.6 | 163.6 | -66.5 | -16.9 | 0 | 0 | 0 | 108.5 | K50 T387 P500 T502 R554 | K50-N556 PolarHBondContact NZ-O 2.92Å; T387-N556 WeakPolarHBondContact CB-ND2 3.09Å; T387-N556 PolarHBondContact OG1-ND2 3.29Å; P500-N556 HydrophobicContact CB-CB 4.41Å; T502-N556 PolarHBondContact OG1-OD1 3.41Å; R554-N556 PolarHBondContact NH1-OD1 2.89Å; R554-N556 PolarHBondContact NH2-ND2 2.93Å; R554-N556 PolarHBondContact NH2-OD1 3.04Å |
| 557 | Q | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 116.2 | 170 | 179.6 | -168.9 | 21.9 | 0 | 0 | 109.2 | N493 L495 P500 K501 E561 V563 | N493-Q557 PolarHBondContact O-NE2 2.84Å; N493-Q557 PolarHBondContact OD1-NE2 3.25Å; N493-Q557 PolarHBondContact OD1-OE1 2.8Å; L495-Q557 HydrophobicContact CB-CG 3.98Å; L495-Q557 HydrophobicContact CD2-CG 4.31Å; L495-Q557 WeakPolarHBondContact CD2-O 3.22Å; P500-Q557 CarbonylContact C-O 3.57Å; P500-Q557 WeakPolarHBondContact CA-O 3.35Å; P500-Q557 VanDerWaalsContact CB-O 3.28Å; P500-Q557 WeakPolarHBondContact CB-O 3.34Å; K501-Q557 HydrophobicContact CB-CB 4.33Å; K501-Q557 PolarHBondContact N-O 2.79Å; K501-Q557 WeakPolarHBondContact O-CB 3.45Å; K501-Q557 PolarHBondContact O-N 3.4Å; Q557-E561 HydrophobicContact CG-CB 4.22Å; Q557-E561 WeakPolarHBondContact CG-O 3.44Å; Q557-E561 PolarHBondContact NE2-O 3.02Å; Q557-V563 HydrophobicContact CB-CG2 3.83Å; Q557-V563 HydrophobicContact CG-CG2 3.85Å |
| 558 | C | 97.9 | Very high | 97.1 | Very high | 53 Ų | 53 | 21.2 Ų | 21.2 | 36% | 0.358 | 13% | 0.134 | S | C | . | . | P | Polyproline II helix | trans | -89.6 | 165.8 | 173.4 | -64.2 | 0 | 0 | 0 | 0 | 111.3 | G560 E561 | C558-G560 PolarHBondContact O-N 3.48Å; C558-E561 HydrophobicContact CB-CG 4.25Å; C558-E561 WeakPolarHBondContact CB-OE2 3.47Å; C558-E561 PolarHBondContact N-OE2 3.25Å; C558-E561 WeakPolarHBondContact O-CB 3.3Å; C558-E561 PolarHBondContact O-N 3.18Å |
| 559 | A | 97.7 | Very high | 97.3 | Very high | 52 Ų | 52 | 17.7 Ų | 17.7 | 43% | 0.43 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 136.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L495 E561 | L495-A559 CarbonylContact O-C 3.59Å; L495-A559 WeakPolarHBondContact O-CA 3.35Å; A559-E561 VanDerWaalsContact C-N 3.31Å |
| 560 | G | 96.9 | Very high | 97.3 | Very high | 24 Ų | 24 | 15.4 Ų | 15.4 | 25% | 0.247 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | -5.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | P53 Y494 L495 C558 | P53-G560 WeakPolarHBondContact CD-O 3.36Å; Y494-G560 WeakPolarHBondContact CE2-O 3.36Å; L495-G560 PolarHBondContact O-N 3.24Å; C558-G560 PolarHBondContact O-N 3.48Å |
| 561 | E | 98.5 | Very high | 97.4 | Very high | 13 Ų | 13 | 15.5 Ų | 15.5 | 6% | 0.061 | 9% | 0.094 | C | C | . | . | trans | -95.7 | 138.2 | 177.5 | -57.9 | -176.2 | 137.8 | 0 | 0 | 112.1 | K50 R52 L495 Q557 C558 A559 | K50-E561 HydrophobicContact CD-CB 4.24Å; K50-E561 VanDerWaalsContact CD-OE2 3.3Å; K50-E561 WeakPolarHBondContact CD-OE2 3.39Å; K50-E561 WeakPolarHBondContact CE-OE2 3.49Å; K50-E561 HydrophobicContact CG-CB 4.3Å; K50-E561 VanDerWaalsContact NZ-CD 3.29Å; K50-E561 IonicContact NZ-OE1 2.69Å; K50-E561 PolarHBondContact NZ-OE1 2.85Å; K50-E561 VanDerWaalsContact NZ-OE1 3.16Å; K50-E561 IonicContact NZ-OE2 2.76Å; K50-E561 PolarHBondContact NZ-OE2 3.22Å; R52-E561 HydrophobicContact CG-CG 4.11Å; R52-E561 IonicContact CZ-OE1 2.69Å; R52-E561 VanDerWaalsContact CZ-OE1 3.3Å; R52-E561 IonicContact NE-OE1 3.45Å; R52-E561 PolarHBondContact NE-OE1 3.12Å; R52-E561 IonicContact NH2-OE1 3.75Å; R52-E561 PolarHBondContact NH2-OE1 3.41Å; L495-E561 PolarHBondContact N-O 3.38Å; Q557-E561 HydrophobicContact CG-CB 4.22Å; Q557-E561 WeakPolarHBondContact CG-O 3.44Å; Q557-E561 PolarHBondContact NE2-O 3.02Å; C558-E561 HydrophobicContact CB-CG 4.25Å; C558-E561 WeakPolarHBondContact CB-OE2 3.47Å; C558-E561 PolarHBondContact N-OE2 3.25Å; C558-E561 WeakPolarHBondContact O-CB 3.3Å; C558-E561 PolarHBondContact O-N 3.18Å; A559-E561 VanDerWaalsContact C-N 3.31Å | ||
| 562 | F | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 145.1 | 170.6 | -71.9 | -85.6 | 0 | 0 | 0 | 111.1 | K50 I51 P53 W57 W443 L445 I492 N493 Y494 | K50-F562 CarbonylContact C-O 3.6Å; K50-F562 WeakPolarHBondContact CA-O 3.48Å; K50-F562 WeakPolarHBondContact CG-O 3.41Å; I51-F562 HydrophobicContact CB-CB 4.22Å; I51-F562 PolarHBondContact N-O 2.64Å; I51-F562 PolarHBondContact O-N 2.93Å; P53-F562 HydrophobicContact CG-CD2 3.77Å; P53-F562 HydrophobicContact CG-CE2 3.7Å; W57-F562 AromaticContact CH2-CE2 3.86Å; W57-F562 HydrophobicContact CH2-CE2 3.86Å; W57-F562 AromaticContact CH2-CZ 3.71Å; W57-F562 HydrophobicContact CH2-CZ 3.71Å; W57-F562 AromaticContact CZ3-CE2 3.67Å; W57-F562 HydrophobicContact CZ3-CE2 3.67Å; W57-F562 AromaticContact CZ3-CZ 3.96Å; W57-F562 HydrophobicContact CZ3-CZ 3.96Å; W443-F562 HydrophobicContact CB-CE2 4.25Å; W443-F562 HydrophobicContact CB-CZ 3.88Å; W443-F562 HydrophobicContact CD2-CE2 4.3Å; W443-F562 HydrophobicContact CD2-CZ 4.47Å; W443-F562 HydrophobicContact CE3-CD1 4.36Å; W443-F562 AromaticContact CE3-CD2 3.89Å; W443-F562 HydrophobicContact CE3-CD2 3.89Å; W443-F562 HydrophobicContact CE3-CE1 4.17Å; W443-F562 AromaticContact CE3-CE2 3.69Å; W443-F562 HydrophobicContact CE3-CE2 3.69Å; W443-F562 HydrophobicContact CE3-CG 4.22Å; W443-F562 AromaticContact CE3-CZ 3.84Å; W443-F562 HydrophobicContact CE3-CZ 3.84Å; W443-F562 HydrophobicContact CZ3-CD2 4.2Å; W443-F562 HydrophobicContact CZ3-CE2 4.46Å; W443-F562 HydrophobicContact CZ3-CG 4.33Å; W443-F562 WeakPolarHBondContact O-CZ 3.42Å; L445-F562 HydrophobicContact CD2-CE1 3.98Å; I492-F562 HydrophobicContact CD1-CB 4.47Å; I492-F562 HydrophobicContact CD1-CD1 3.57Å; I492-F562 HydrophobicContact CD1-CE1 4.04Å; I492-F562 HydrophobicContact CD1-CG 4.24Å; I492-F562 HydrophobicContact CG1-CD1 3.72Å; I492-F562 HydrophobicContact CG1-CE1 4.41Å; N493-F562 CarbonylContact O-C 3.42Å; N493-F562 VanDerWaalsContact O-CA 3.26Å; N493-F562 WeakPolarHBondContact O-CA 3.35Å; Y494-F562 AromaticContact CD2-CD1 3.65Å; Y494-F562 HydrophobicContact CD2-CD1 3.65Å; Y494-F562 AromaticContact CD2-CD2 3.81Å; Y494-F562 HydrophobicContact CD2-CD2 3.81Å; Y494-F562 AromaticContact CD2-CE1 3.47Å; Y494-F562 HydrophobicContact CD2-CE1 3.47Å; Y494-F562 VanDerWaalsContact CD2-CE1 3.47Å; Y494-F562 AromaticContact CD2-CE2 3.62Å; Y494-F562 HydrophobicContact CD2-CE2 3.62Å; Y494-F562 AromaticContact CD2-CG 3.83Å; Y494-F562 HydrophobicContact CD2-CG 3.83Å; Y494-F562 AromaticContact CD2-CZ 3.44Å; Y494-F562 HydrophobicContact CD2-CZ 3.44Å; Y494-F562 VanDerWaalsContact CD2-CZ 3.44Å; Y494-F562 HydrophobicContact CE2-CD2 4.14Å; Y494-F562 HydrophobicContact CE2-CE1 4.37Å; Y494-F562 AromaticContact CE2-CE2 3.77Å; Y494-F562 HydrophobicContact CE2-CE2 3.77Å; Y494-F562 AromaticContact CE2-CZ 3.89Å; Y494-F562 HydrophobicContact CE2-CZ 3.89Å; Y494-F562 HydrophobicContact CG-CD1 4.16Å; Y494-F562 AromaticContact CG-CE1 3.81Å; Y494-F562 HydrophobicContact CG-CE1 3.81Å; Y494-F562 HydrophobicContact CG-CZ 4.06Å |
| 563 | V | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 134 | 163.4 | 172.4 | 0 | 0 | 0 | 0 | 108.7 | I48 C49 K50 I492 N493 W503 T555 Q557 | I48-V563 HydrophobicContact CB-CG1 4.47Å; C49-V563 WeakPolarHBondContact O-CA 3.32Å; K50-V563 HydrophobicContact CG-CG2 4.19Å; I492-V563 WeakPolarHBondContact CA-O 3.25Å; N493-V563 PolarHBondContact N-O 3.45Å; N493-V563 PolarHBondContact O-N 2.68Å; W503-V563 HydrophobicContact CD2-CB 4.49Å; W503-V563 HydrophobicContact CD2-CG1 3.92Å; W503-V563 HydrophobicContact CE3-CG1 4.12Å; W503-V563 HydrophobicContact CG-CG1 4.38Å; W503-V563 HydrophobicContact CG-CG2 4.5Å; W503-V563 HydrophobicContact CH2-CG1 4.44Å; W503-V563 HydrophobicContact CZ2-CB 4.2Å; W503-V563 HydrophobicContact CZ2-CG1 4.24Å; W503-V563 HydrophobicContact CZ3-CG1 4.37Å; T555-V563 HydrophobicContact CG2-CG2 4.42Å; Q557-V563 HydrophobicContact CB-CG2 3.83Å; Q557-V563 HydrophobicContact CG-CG2 3.85Å |
| 564 | V | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 128.9 | 176.3 | 178.8 | 0 | 0 | 0 | 0 | 109 | I36 I48 C49 I51 Y490 S491 I492 F566 F586 | I36-V564 HydrophobicContact CD1-CG2 4.23Å; I48-V564 VanDerWaalsContact CA-O 3.29Å; I48-V564 WeakPolarHBondContact CA-O 3.49Å; C49-V564 PolarHBondContact N-O 3.46Å; C49-V564 PolarHBondContact O-N 3.31Å; I51-V564 HydrophobicContact CD1-CG2 3.77Å; Y490-V564 HydrophobicContact CD1-CG1 4.19Å; S491-V564 WeakPolarHBondContact O-CA 3.22Å; I492-V564 HydrophobicContact CB-CG2 4.4Å; I492-V564 HydrophobicContact CD1-CG2 4.04Å; I492-V564 HydrophobicContact CG1-CG2 4.02Å; V564-F566 HydrophobicContact CB-CE2 4.43Å; V564-F566 HydrophobicContact CG1-CE2 3.99Å; V564-F566 HydrophobicContact CG1-CZ 4.28Å; V564-F586 HydrophobicContact CG1-CZ 4.21Å |
| 565 | T | 97.9 | Very high | 97 | Very high | 2 Ų | 2 | 10.5 Ų | 10.5 | 1% | 0.012 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 143.8 | 171 | 78.2 | 0 | 0 | 0 | 0 | 109.5 | I48 Y490 S491 W503 | I48-T565 HydrophobicContact CG2-CG2 4.15Å; Y490-T565 WeakPolarHBondContact CA-O 3.5Å; Y490-T565 VanDerWaalsContact CD1-O 3.27Å; Y490-T565 WeakPolarHBondContact CD1-O 3.21Å; S491-T565 PolarHBondContact N-OG1 2.87Å; S491-T565 PolarHBondContact O-N 2.96Å; S491-T565 PolarHBondContact O-OG1 3.27Å; S491-T565 WeakPolarHBondContact OG-CG2 3.39Å; S491-T565 PolarHBondContact OG-OG1 3.12Å; W503-T565 HydrophobicContact CZ3-CG2 4.24Å |
| 566 | F | 97.6 | Very high | 97 | Very high | 2 Ų | 2 | 10.6 Ų | 10.6 | 1% | 0.009 | 7% | 0.071 | C | C | . | . | P | Polyproline II helix | trans | -100.6 | 158.2 | -178 | -74.6 | -99.2 | 0 | 0 | 0 | 111.7 | R40 A43 E44 G47 Y490 V564 R568 A569 | R40-F566 HydrophobicContact CB-CE1 3.86Å; R40-F566 HydrophobicContact CG-CD1 4.04Å; R40-F566 HydrophobicContact CG-CE1 3.78Å; A43-F566 HydrophobicContact CB-CD2 4.38Å; A43-F566 HydrophobicContact CB-CE1 4.24Å; A43-F566 HydrophobicContact CB-CE2 3.49Å; A43-F566 VanDerWaalsContact CB-CE2 3.49Å; A43-F566 HydrophobicContact CB-CZ 3.4Å; A43-F566 VanDerWaalsContact CB-CZ 3.4Å; E44-F566 HydrophobicContact CB-CD1 4.18Å; G47-F566 WeakPolarHBondContact O-CD2 3.43Å; G47-F566 PolarHBondContact O-N 3.35Å; Y490-F566 HydrophobicContact CD1-CD1 4.23Å; Y490-F566 HydrophobicContact CD1-CE1 4.48Å; Y490-F566 AromaticContact CE1-CD1 3.43Å; Y490-F566 HydrophobicContact CE1-CD1 3.43Å; Y490-F566 VanDerWaalsContact CE1-CD1 3.43Å; Y490-F566 AromaticContact CE1-CE1 3.61Å; Y490-F566 HydrophobicContact CE1-CE1 3.61Å; Y490-F566 HydrophobicContact CE1-CG 4.12Å; Y490-F566 HydrophobicContact CE1-CZ 4.42Å; V564-F566 HydrophobicContact CB-CE2 4.43Å; V564-F566 HydrophobicContact CG1-CE2 3.99Å; V564-F566 HydrophobicContact CG1-CZ 4.28Å; F566-R568 PolarHBondContact O-N 3.29Å; F566-A569 HydrophobicContact CB-CB 4.36Å; F566-A569 WeakPolarHBondContact O-CB 3.28Å; F566-A569 PolarHBondContact O-N 3.2Å |
| 567 | P | 96.9 | Very high | 96.9 | Very high | 7 Ų | 7 | 9.6 Ų | 9.6 | 5% | 0.045 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | 123.5 | -178.7 | -33.6 | 38.8 | 0 | 0 | 0 | 113.9 | W488 Y490 S508 A569 I594 | W488-P567 VanDerWaalsContact O-CA 3.32Å; W488-P567 WeakPolarHBondContact O-CA 3.43Å; W488-P567 VanDerWaalsContact O-CB 3.27Å; W488-P567 WeakPolarHBondContact O-CB 3.43Å; Y490-P567 HydrophobicContact CD2-CG 3.59Å; Y490-P567 HydrophobicContact CE1-CG 4.44Å; Y490-P567 HydrophobicContact CE2-CG 3.33Å; Y490-P567 HydrophobicContact CG-CG 4.22Å; Y490-P567 VanDerWaalsContact CZ-CD 3.46Å; S508-P567 WeakPolarHBondContact CB-O 3.35Å; P567-A569 PolarHBondContact O-N 2.77Å; P567-I594 HydrophobicContact CB-CD1 3.63Å; P567-I594 HydrophobicContact CB-CG2 3.98Å; P567-I594 HydrophobicContact CG-CD1 4.06Å |
| 568 | R | 95.3 | Very high | 96.9 | Very high | 30 Ų | 30 | 11 Ų | 11 | 11% | 0.113 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 18.6 | -175.6 | -152.6 | -170.5 | 177.7 | -179.8 | 0.8 | 114.9 | I484 W488 A511 E512 E515 F566 Y570 | I484-R568 HydrophobicContact CD1-CG 4.25Å; W488-R568 HydrophobicContact CB-CB 4.12Å; W488-R568 HydrophobicContact CD2-CB 4.01Å; W488-R568 HydrophobicContact CD2-CG 3.74Å; W488-R568 HydrophobicContact CE3-CB 4.32Å; W488-R568 HydrophobicContact CE3-CG 4.22Å; W488-R568 HydrophobicContact CG-CB 3.93Å; W488-R568 HydrophobicContact CG-CG 3.94Å; W488-R568 HydrophobicContact CZ2-CG 4.29Å; A511-R568 HydrophobicContact CB-CG 3.99Å; E512-R568 IonicContact OE1-CZ 2.65Å; E512-R568 VanDerWaalsContact OE1-CZ 3.28Å; E512-R568 IonicContact OE1-NH1 2.67Å; E512-R568 PolarHBondContact OE1-NH1 3.25Å; E512-R568 IonicContact OE1-NH2 2.68Å; E512-R568 PolarHBondContact OE1-NH2 3.3Å; E515-R568 IonicContact OE1-CZ 3.71Å; E515-R568 IonicContact OE1-NE 2.75Å; E515-R568 IonicContact OE1-NH2 3.14Å; E515-R568 PolarHBondContact OE1-NH2 2.98Å; E515-R568 IonicContact OE2-NH2 3.02Å; F566-R568 PolarHBondContact O-N 3.29Å; R568-Y570 PolarHBondContact O-N 2.85Å |
| 569 | A | 96.1 | Very high | 96.9 | Very high | 2 Ų | 2 | 8.5 Ų | 8.5 | 2% | 0.017 | 5% | 0.054 | C | C | . | . | trans | -77.4 | 114 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | G47 V506 F566 P567 H571 | G47-A569 VanDerWaalsContact CA-CB 3.45Å; G47-A569 WeakPolarHBondContact O-CB 3.46Å; V506-A569 CarbonylContact O-C 3.57Å; V506-A569 VanDerWaalsContact O-CA 3.26Å; V506-A569 WeakPolarHBondContact O-CA 3.03Å; V506-A569 WeakPolarHBondContact O-CB 3.42Å; F566-A569 HydrophobicContact CB-CB 4.36Å; F566-A569 WeakPolarHBondContact O-CB 3.28Å; F566-A569 PolarHBondContact O-N 3.2Å; P567-A569 PolarHBondContact O-N 2.77Å; A569-H571 PolarHBondContact O-N 3.31Å; A569-H571 PolarHBondContact O-ND1 2.97Å | ||
| 570 | Y | 94.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.034 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 132.9 | 174.8 | -91.5 | -85.5 | 0 | 0 | 0 | 109.9 | W482 H483 I484 G505 V506 A511 L514 E515 L533 R568 | W482-Y570 HydrophobicContact CB-CD1 4.47Å; H483-Y570 VanDerWaalsContact O-CA 3.32Å; H483-Y570 WeakPolarHBondContact O-CA 3.48Å; I484-Y570 HydrophobicContact CD1-CE2 4.12Å; I484-Y570 HydrophobicContact CG2-CD1 3.8Å; I484-Y570 HydrophobicContact CG2-CD2 3.49Å; I484-Y570 VanDerWaalsContact CG2-CD2 3.49Å; I484-Y570 HydrophobicContact CG2-CE1 3.96Å; I484-Y570 HydrophobicContact CG2-CE2 3.68Å; I484-Y570 HydrophobicContact CG2-CG 3.56Å; G505-Y570 CarbonylContact C-O 3.58Å; G505-Y570 WeakPolarHBondContact CA-O 3.49Å; V506-Y570 PolarHBondContact N-O 2.81Å; V506-Y570 PolarHBondContact O-N 3.01Å; A511-Y570 HydrophobicContact CB-CD2 3.78Å; A511-Y570 HydrophobicContact CB-CE2 3.88Å; L514-Y570 HydrophobicContact CD1-CG 4.1Å; L514-Y570 HydrophobicContact CD2-CD1 3.74Å; L514-Y570 HydrophobicContact CD2-CD2 4Å; L514-Y570 HydrophobicContact CD2-CE1 3.89Å; L514-Y570 HydrophobicContact CD2-CE2 4.12Å; L514-Y570 HydrophobicContact CD2-CG 3.8Å; E515-Y570 HydrophobicContact CG-CE2 3.88Å; E515-Y570 WeakPolarHBondContact CG-OH 3.34Å; L533-Y570 HydrophobicContact CD2-CE1 4.03Å; R568-Y570 PolarHBondContact O-N 2.85Å |
| 571 | H | 95.4 | Very high | 96.9 | Very high | 4 Ų | 4 | 4.9 Ų | 4.9 | 2% | 0.019 | 2% | 0.022 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 153.8 | 178.9 | 61.7 | -86.3 | 0 | 0 | 0 | 112.5 | I48 W482 H483 E485 W503 Y504 A569 | I48-H571 HydrophobicContact CG2-CB 4.18Å; W482-H571 WeakPolarHBondContact CA-O 3.4Å; W482-H571 VanDerWaalsContact CE3-C 3.45Å; H483-H571 AromaticContact CD2-NE2 3.92Å; H483-H571 AromaticContact CE1-CD2 3.67Å; H483-H571 AromaticContact CE1-NE2 3.34Å; H483-H571 PolarHBondContact CE1-NE2 3.18Å; H483-H571 VanDerWaalsContact CE1-NE2 3.34Å; H483-H571 PolarHBondContact N-O 3.06Å; H483-H571 AromaticContact ND1-NE2 4Å; H483-H571 PolarHBondContact ND1-O 3.09Å; H483-H571 AromaticContact NE2-CE1 3.95Å; H483-H571 AromaticContact NE2-NE2 3.32Å; H483-H571 PolarHBondContact NE2-NE2 3.22Å; H483-H571 PolarHBondContact O-N 3.15Å; E485-H571 IonicContact OE1-CE1 2.79Å; E485-H571 PolarHBondContact OE1-CE1 3.48Å; E485-H571 VanDerWaalsContact OE1-CE1 3.24Å; E485-H571 IonicContact OE1-NE2 2.73Å; W503-H571 AromaticContact CZ3-CD2 3.68Å; Y504-H571 WeakPolarHBondContact O-CA 3.48Å; Y504-H571 WeakPolarHBondContact O-CB 3.31Å; A569-H571 PolarHBondContact O-N 3.31Å; A569-H571 PolarHBondContact O-ND1 2.97Å |
| 572 | S | 94.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 4.3 Ų | 4.3 | 0% | 0 | 2% | 0.019 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 174.5 | 179 | 64.9 | 0 | 0 | 0 | 0 | 110.2 | F480 W482 W503 Y504 | F480-S572 WeakPolarHBondContact CE2-O 3.5Å; F480-S572 WeakPolarHBondContact O-CA 3.47Å; F480-S572 WeakPolarHBondContact O-CB 2.99Å; W482-S572 VanDerWaalsContact CD2-OG 3.29Å; W482-S572 WeakPolarHBondContact CH2-OG 3.39Å; W482-S572 WeakPolarHBondContact CZ2-OG 3.36Å; W503-S572 CarbonylContact C-O 3.58Å; Y504-S572 PolarHBondContact N-O 2.94Å; Y504-S572 PolarHBondContact O-N 3.24Å |
| 573 | G | 95.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 4.8 Ų | 4.8 | 0% | 0 | 2% | 0.023 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.1 | -172.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | S479 F480 T502 | S479-G573 CarbonylContact C-O 3.41Å; S479-G573 VanDerWaalsContact CA-O 3.3Å; S479-G573 WeakPolarHBondContact CA-O 3.28Å; S479-G573 WeakPolarHBondContact CB-O 3.3Å; F480-G573 VanDerWaalsContact CE1-C 3.49Å; F480-G573 VanDerWaalsContact CE2-N 3.35Å; F480-G573 VanDerWaalsContact CZ-CA 3.49Å; F480-G573 PolarHBondContact N-O 3.07Å; F480-G573 PolarHBondContact O-N 3.45Å; T502-G573 CarbonylContact O-C 3.59Å; T502-G573 WeakPolarHBondContact O-CA 3.48Å |
| 574 | F | 96.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 4.8 Ų | 4.8 | 0% | 0 | 2% | 0.023 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 161.3 | 177.7 | 68.6 | -85.5 | 0 | 0 | 0 | 112 | V390 E391 F394 S478 T502 Y504 | V390-F574 HydrophobicContact CG1-CE2 4.02Å; E391-F574 HydrophobicContact CB-CE1 4.44Å; E391-F574 HydrophobicContact CB-CZ 3.81Å; E391-F574 HydrophobicContact CG-CE1 4.16Å; E391-F574 HydrophobicContact CG-CZ 4.02Å; F394-F574 HydrophobicContact CB-CE1 4.47Å; F394-F574 HydrophobicContact CB-CE2 4.48Å; F394-F574 HydrophobicContact CB-CZ 4.49Å; F394-F574 AromaticContact CD1-CD1 3.54Å; F394-F574 HydrophobicContact CD1-CD1 3.54Å; F394-F574 AromaticContact CD1-CE1 3.95Å; F394-F574 HydrophobicContact CD1-CE1 3.95Å; F394-F574 HydrophobicContact CD1-CG 4.02Å; F394-F574 HydrophobicContact CD2-CB 4.12Å; F394-F574 HydrophobicContact CD2-CD1 4.4Å; F394-F574 HydrophobicContact CD2-CD2 4.42Å; F394-F574 HydrophobicContact CD2-CG 4.04Å; F394-F574 HydrophobicContact CE1-CB 4.28Å; F394-F574 AromaticContact CE1-CD1 3.75Å; F394-F574 HydrophobicContact CE1-CD1 3.75Å; F394-F574 HydrophobicContact CE1-CG 4.2Å; F394-F574 HydrophobicContact CE2-CB 3.84Å; F394-F574 HydrophobicContact CE2-CG 4.21Å; F394-F574 HydrophobicContact CG-CB 4.46Å; F394-F574 AromaticContact CG-CD1 3.89Å; F394-F574 HydrophobicContact CG-CD1 3.89Å; F394-F574 HydrophobicContact CG-CD2 4.31Å; F394-F574 HydrophobicContact CG-CE1 4.29Å; F394-F574 AromaticContact CG-CG 3.94Å; F394-F574 HydrophobicContact CG-CG 3.94Å; F394-F574 HydrophobicContact CZ-CB 3.92Å; F394-F574 HydrophobicContact CZ-CD1 4.26Å; F394-F574 HydrophobicContact CZ-CG 4.29Å; S478-F574 CarbonylContact O-C 3.5Å; S478-F574 VanDerWaalsContact O-CA 3.22Å; S478-F574 WeakPolarHBondContact O-CA 3.41Å; T502-F574 HydrophobicContact CG2-CD1 4.42Å; T502-F574 HydrophobicContact CG2-CE1 3.63Å; T502-F574 HydrophobicContact CG2-CZ 3.8Å; T502-F574 PolarHBondContact N-O 2.86Å; T502-F574 PolarHBondContact O-N 3.17Å; Y504-F574 HydrophobicContact CE2-CD1 4.3Å; Y504-F574 HydrophobicContact CE2-CE1 4.15Å |
| 575 | N | 97.8 | Very high | 96.3 | Very high | 11 Ų | 11 | 5.8 Ų | 5.8 | 6% | 0.059 | 3% | 0.028 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 135.9 | 178 | -60 | -71.1 | 0 | 0 | 0 | 111.1 | M475 C476 F477 S478 K501 G577 N579 | M475-N575 WeakPolarHBondContact O-CB 3.26Å; C476-N575 WeakPolarHBondContact CA-O 3.49Å; F477-N575 PolarHBondContact N-O 3.49Å; S478-N575 PolarHBondContact O-N 3.25Å; S478-N575 PolarHBondContact O-ND2 3.31Å; S478-N575 PolarHBondContact OG-ND2 3.21Å; K501-N575 WeakPolarHBondContact CG-OD1 3.37Å; K501-N575 PolarHBondContact NZ-OD1 3.07Å; N575-G577 PolarHBondContact O-N 2.97Å; N575-N579 PolarHBondContact OD1-ND2 3.36Å; N575-N579 PolarHBondContact OD1-OD1 2.77Å |
| 576 | Q | 97.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 5.7 Ų | 5.7 | 1% | 0.005 | 3% | 0.028 | C | C | . | . | S | Bend | trans | -73 | -15.3 | 179 | -68.3 | -80.1 | -21.4 | 0 | 0 | 113.1 | K374 T387 V390 E499 P500 T502 | K374-Q576 WeakPolarHBondContact CD-O 3.18Å; K374-Q576 WeakPolarHBondContact CE-O 3.47Å; K374-Q576 PolarHBondContact NZ-O 3.15Å; T387-Q576 HydrophobicContact CG2-CG 4.02Å; T387-Q576 PolarHBondContact O-NE2 3.38Å; V390-Q576 VanDerWaalsContact CG2-OE1 3.29Å; E499-Q576 HydrophobicContact CB-CB 4.41Å; P500-Q576 HydrophobicContact CB-CB 4.5Å; P500-Q576 HydrophobicContact CB-CG 4.13Å; P500-Q576 WeakPolarHBondContact O-CB 3.42Å; P500-Q576 VanDerWaalsContact O-CG 3.26Å; P500-Q576 WeakPolarHBondContact O-CG 3.44Å; P500-Q576 PolarHBondContact O-N 3.1Å; T502-Q576 PolarHBondContact OG1-NE2 3.48Å |
| 577 | G | 96.6 | Very high | 96 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.027 | C | C | . | . | S | Bend | trans | 176 | -158.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G474 M475 E499 N575 N579 | G474-G577 CarbonylContact C-O 3.48Å; M475-G577 CarbonylContact C-O 3.58Å; M475-G577 VanDerWaalsContact C-O 3.24Å; M475-G577 VanDerWaalsContact CA-O 3.27Å; M475-G577 WeakPolarHBondContact CA-O 3.3Å; E499-G577 WeakPolarHBondContact OE2-CA 3.44Å; N575-G577 PolarHBondContact O-N 2.97Å; G577-N579 PolarHBondContact O-N 2.99Å |
| 578 | Y | 97.7 | Very high | 95.8 | Very high | 31 Ų | 31 | 5.8 Ų | 5.8 | 12% | 0.122 | 3% | 0.029 | C | C | . | . | S | Bend | trans | -69.2 | 122.1 | 177 | 177.3 | -137.3 | 0 | 0 | 0 | 111.3 | L363 F366 G367 A370 V473 G474 W497 G498 E499 | L363-Y578 PolarHBondContact O-OH 2.67Å; F366-Y578 AromaticContact CD1-CD2 4Å; F366-Y578 HydrophobicContact CD1-CD2 4Å; F366-Y578 AromaticContact CD1-CE2 3.9Å; F366-Y578 HydrophobicContact CD1-CE2 3.9Å; F366-Y578 HydrophobicContact CE1-CD2 4.32Å; G367-Y578 VanDerWaalsContact CA-CD1 3.47Å; G367-Y578 VanDerWaalsContact CA-CE1 3.43Å; G367-Y578 VanDerWaalsContact CA-CZ 3.49Å; A370-Y578 HydrophobicContact CB-CD2 4.5Å; A370-Y578 HydrophobicContact CB-CG 4.45Å; V473-Y578 HydrophobicContact CG1-CE2 4.23Å; G474-Y578 VanDerWaalsContact O-CA 3.3Å; G474-Y578 WeakPolarHBondContact O-CA 3.41Å; W497-Y578 AromaticContact CH2-CE1 4Å; W497-Y578 HydrophobicContact CH2-CE1 4Å; W497-Y578 AromaticContact CH2-CE2 3.9Å; W497-Y578 HydrophobicContact CH2-CE2 3.9Å; W497-Y578 AromaticContact CH2-CZ 3.45Å; W497-Y578 VanDerWaalsContact CH2-CZ 3.45Å; W497-Y578 VanDerWaalsContact CH2-OH 3.24Å; W497-Y578 WeakPolarHBondContact CH2-OH 3.36Å; W497-Y578 HydrophobicContact CZ3-CD1 4.13Å; W497-Y578 HydrophobicContact CZ3-CD2 4.42Å; W497-Y578 AromaticContact CZ3-CE1 3.61Å; W497-Y578 HydrophobicContact CZ3-CE1 3.61Å; W497-Y578 AromaticContact CZ3-CE2 3.93Å; W497-Y578 HydrophobicContact CZ3-CE2 3.93Å; W497-Y578 AromaticContact CZ3-CZ 3.51Å; G498-Y578 CarbonylContact C-O 3.55Å; G498-Y578 VanDerWaalsContact CA-O 3.3Å; G498-Y578 WeakPolarHBondContact CA-O 3.45Å; E499-Y578 PolarHBondContact N-O 3.02Å |
| 579 | N | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 3% | 0.032 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 167.5 | 177.2 | 72.8 | 31.6 | 0 | 0 | 0 | 114.6 | V473 G474 L495 W497 E499 K501 N575 G577 | V473-N579 WeakPolarHBondContact CA-O 3.35Å; G474-N579 PolarHBondContact N-O 3.5Å; G474-N579 PolarHBondContact N-OD1 3.23Å; G474-N579 PolarHBondContact O-N 3.41Å; L495-N579 HydrophobicContact CD1-CB 3.96Å; W497-N579 WeakPolarHBondContact O-CB 3.4Å; E499-N579 VanDerWaalsContact O-CB 3.25Å; E499-N579 WeakPolarHBondContact O-CB 3.4Å; E499-N579 PolarHBondContact O-ND2 3.21Å; K501-N579 PolarHBondContact NZ-OD1 3.35Å; N575-N579 PolarHBondContact OD1-ND2 3.36Å; N575-N579 PolarHBondContact OD1-OD1 2.77Å; G577-N579 PolarHBondContact O-N 2.99Å |
| 580 | F | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 4% | 0.039 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 123 | 175.8 | -174.3 | -76.5 | 0 | 0 | 0 | 110.2 | F61 F68 L363 L471 Y472 V473 H496 W497 | F61-F580 AromaticContact CE2-CD1 3.57Å; F61-F580 HydrophobicContact CE2-CD1 3.57Å; F61-F580 AromaticContact CE2-CE1 3.46Å; F61-F580 HydrophobicContact CE2-CE1 3.46Å; F61-F580 VanDerWaalsContact CE2-CE1 3.46Å; F61-F580 HydrophobicContact CE2-CG 4.23Å; F61-F580 HydrophobicContact CE2-CZ 4.02Å; F61-F580 AromaticContact CZ-CD1 3.81Å; F61-F580 HydrophobicContact CZ-CD1 3.81Å; F61-F580 HydrophobicContact CZ-CD2 4.18Å; F61-F580 AromaticContact CZ-CE1 3.69Å; F61-F580 HydrophobicContact CZ-CE1 3.69Å; F61-F580 HydrophobicContact CZ-CE2 4.05Å; F61-F580 HydrophobicContact CZ-CG 4.06Å; F61-F580 AromaticContact CZ-CZ 3.78Å; F61-F580 HydrophobicContact CZ-CZ 3.78Å; F68-F580 HydrophobicContact CE2-CE2 4.41Å; F68-F580 HydrophobicContact CZ-CE2 4.23Å; L363-F580 HydrophobicContact CD1-CD2 4.07Å; L363-F580 HydrophobicContact CD1-CE2 3.98Å; L363-F580 HydrophobicContact CD2-CD2 3.93Å; L363-F580 HydrophobicContact CD2-CE2 4.26Å; L471-F580 HydrophobicContact CB-CE2 4.45Å; L471-F580 HydrophobicContact CB-CZ 4.03Å; L471-F580 HydrophobicContact CD1-CE2 4.35Å; L471-F580 HydrophobicContact CD1-CZ 3.76Å; L471-F580 HydrophobicContact CD2-CE1 3.94Å; L471-F580 HydrophobicContact CD2-CZ 3.77Å; L471-F580 HydrophobicContact CG-CZ 4.07Å; Y472-F580 WeakPolarHBondContact O-CA 3.34Å; V473-F580 HydrophobicContact CG2-CD2 4.1Å; V473-F580 HydrophobicContact CG2-CE2 4.39Å; H496-F580 HydrophobicContact CB-CD1 4.17Å; H496-F580 AromaticContact CD2-CD1 3.81Å; H496-F580 AromaticContact CD2-CE1 3.85Å; H496-F580 PolarHBondContact N-O 3.31Å; W497-F580 HydrophobicContact CD2-CB 3.98Å; W497-F580 HydrophobicContact CE3-CB 4.22Å; W497-F580 HydrophobicContact CH2-CB 3.54Å; W497-F580 HydrophobicContact CH2-CG 4.42Å; W497-F580 HydrophobicContact CZ2-CB 3.3Å; W497-F580 HydrophobicContact CZ2-CD2 4.05Å; W497-F580 AromaticContact CZ2-CG 3.85Å; W497-F580 HydrophobicContact CZ2-CG 3.85Å; W497-F580 HydrophobicContact CZ3-CB 4.01Å; W497-F580 PolarHBondContact O-N 2.73Å |
| 581 | A | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 4% | 0.039 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 156.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L471 Y472 Y494 L495 | L471-A581 WeakPolarHBondContact CA-O 3.15Å; Y472-A581 PolarHBondContact N-O 2.99Å; Y472-A581 PolarHBondContact O-N 2.78Å; Y494-A581 CarbonylContact O-C 3.6Å; Y494-A581 WeakPolarHBondContact O-CA 3.41Å; Y494-A581 WeakPolarHBondContact O-CB 3.47Å; L495-A581 HydrophobicContact CD1-CB 3.79Å |
| 582 | E | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.039 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 139 | 174.4 | -177.3 | 162.6 | -168.7 | 0 | 0 | 108.5 | S420 G421 F422 L445 P469 W470 L471 N493 Y494 H496 | S420-E582 WeakPolarHBondContact CB-OE1 3.33Å; S420-E582 VanDerWaalsContact OG-CD 3.24Å; S420-E582 PolarHBondContact OG-OE1 3.49Å; S420-E582 PolarHBondContact OG-OE2 2.8Å; G421-E582 WeakPolarHBondContact CA-OE2 3.41Å; G421-E582 PolarHBondContact N-OE2 2.88Å; F422-E582 WeakPolarHBondContact CD2-OE2 3.49Å; L445-E582 HydrophobicContact CD1-CG 4.32Å; L445-E582 VanDerWaalsContact CD1-O 3.31Å; L445-E582 WeakPolarHBondContact CD1-O 3.32Å; P469-E582 HydrophobicContact CB-CG 3.7Å; P469-E582 WeakPolarHBondContact CB-OE1 3.49Å; W470-E582 CarbonylContact O-C 3.53Å; W470-E582 WeakPolarHBondContact O-CA 3.19Å; L471-E582 HydrophobicContact CD2-CB 3.97Å; L471-E582 HydrophobicContact CD2-CG 3.74Å; N493-E582 CarbonylContact C-O 3.57Å; N493-E582 WeakPolarHBondContact CA-O 3.22Å; Y494-E582 PolarHBondContact N-O 3.34Å; Y494-E582 PolarHBondContact O-N 2.69Å; H496-E582 IonicContact CD2-OE2 2.66Å; H496-E582 IonicContact CE1-OE2 2.64Å; H496-E582 IonicContact NE2-OE2 3.32Å; H496-E582 PolarHBondContact NE2-OE2 3.44Å |
| 583 | A | 96.2 | Very high | 95.9 | Very high | 11 Ų | 11 | 7.7 Ų | 7.7 | 9% | 0.091 | 5% | 0.045 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 154.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | P469 W470 Y472 I492 N493 | P469-A583 CarbonylContact C-O 3.59Å; P469-A583 VanDerWaalsContact CA-O 3.22Å; P469-A583 WeakPolarHBondContact CA-O 3.45Å; P469-A583 WeakPolarHBondContact CB-O 3.43Å; W470-A583 PolarHBondContact N-O 3.48Å; W470-A583 PolarHBondContact O-N 2.7Å; Y472-A583 HydrophobicContact CD2-CB 4.44Å; Y472-A583 HydrophobicContact CE2-CB 3.84Å; I492-A583 CarbonylContact O-C 3.51Å; I492-A583 WeakPolarHBondContact O-CA 3.23Å; I492-A583 WeakPolarHBondContact O-CB 3.39Å; N493-A583 HydrophobicContact CB-CB 4.18Å |
| 584 | V | 94.8 | Very high | 96 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 146.4 | 173.2 | 76.3 | 0 | 0 | 0 | 0 | 110.6 | L445 P449 M466 P469 S491 I492 | L445-V584 HydrophobicContact CB-CB 4.37Å; L445-V584 HydrophobicContact CB-CG1 3.91Å; L445-V584 HydrophobicContact CD2-CG1 4.19Å; L445-V584 HydrophobicContact CG-CG1 4.43Å; P449-V584 HydrophobicContact CG-CG1 4.41Å; P449-V584 HydrophobicContact CG-CG2 3.65Å; M466-V584 WeakPolarHBondContact O-CG2 3.28Å; P469-V584 HydrophobicContact CB-CB 4.35Å; P469-V584 HydrophobicContact CG-CB 4.15Å; P469-V584 HydrophobicContact CG-CG2 4.16Å; S491-V584 WeakPolarHBondContact CA-O 3.44Å; I492-V584 HydrophobicContact CG2-CG1 3.73Å; I492-V584 PolarHBondContact N-O 2.9Å; I492-V584 PolarHBondContact O-N 2.72Å |
| 585 | N | 93.8 | Very high | 95.9 | Very high | 20 Ų | 20 | 9.6 Ų | 9.6 | 11% | 0.107 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 146.4 | 173.4 | -64.6 | 55.2 | 0 | 0 | 0 | 110.4 | L456 G465 M466 E485 S489 Y490 | L456-N585 WeakPolarHBondContact CD1-O 3.44Å; G465-N585 PolarHBondContact O-N 3.29Å; G465-N585 PolarHBondContact O-OD1 2.81Å; M466-N585 HydrophobicContact CB-CB 4.4Å; M466-N585 HydrophobicContact CE-CB 4.35Å; M466-N585 HydrophobicContact CG-CB 4.12Å; E485-N585 PolarHBondContact OE2-ND2 3.46Å; S489-N585 WeakPolarHBondContact OG-CB 3.39Å; S489-N585 PolarHBondContact OG-ND2 3.43Å; Y490-N585 VanDerWaalsContact O-CA 3.32Å; Y490-N585 WeakPolarHBondContact O-CA 3.32Å |
| 586 | F | 94 | Very high | 95.8 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 160.1 | 175.3 | 69 | -80.8 | 0 | 0 | 0 | 111.9 | L33 I36 M448 Y490 I492 V564 T588 | L33-F586 HydrophobicContact CD2-CD2 3.59Å; L33-F586 HydrophobicContact CD2-CE2 3.64Å; I36-F586 HydrophobicContact CD1-CE2 4.24Å; I36-F586 HydrophobicContact CD1-CZ 3.82Å; I36-F586 HydrophobicContact CG2-CE2 4.48Å; I36-F586 HydrophobicContact CG2-CZ 4.41Å; M448-F586 HydrophobicContact SD-CD1 4.15Å; M448-F586 HydrophobicContact SD-CE1 4.34Å; M448-F586 HydrophobicContact SD-CG 4.35Å; Y490-F586 WeakPolarHBondContact CB-O 3.49Å; Y490-F586 HydrophobicContact CD1-CE1 4.42Å; Y490-F586 AromaticContact CD1-CE2 3.94Å; Y490-F586 HydrophobicContact CD1-CE2 3.94Å; Y490-F586 AromaticContact CD1-CZ 3.62Å; Y490-F586 HydrophobicContact CD1-CZ 3.62Å; Y490-F586 HydrophobicContact CD2-CE2 4.14Å; Y490-F586 HydrophobicContact CD2-CZ 4.5Å; Y490-F586 HydrophobicContact CG-CD2 4.31Å; Y490-F586 HydrophobicContact CG-CE1 4.19Å; Y490-F586 AromaticContact CG-CE2 3.68Å; Y490-F586 HydrophobicContact CG-CE2 3.68Å; Y490-F586 AromaticContact CG-CZ 3.6Å; Y490-F586 HydrophobicContact CG-CZ 3.6Å; Y490-F586 PolarHBondContact N-O 3.16Å; Y490-F586 PolarHBondContact O-N 3.03Å; I492-F586 HydrophobicContact CB-CD1 4.36Å; I492-F586 HydrophobicContact CB-CE1 3.88Å; I492-F586 HydrophobicContact CG2-CD1 3.97Å; I492-F586 HydrophobicContact CG2-CE1 4Å; V564-F586 HydrophobicContact CG1-CZ 4.21Å; F586-T588 HydrophobicContact CD2-CG2 4.13Å; F586-T588 HydrophobicContact CE2-CG2 4.04Å |
| 587 | C | 94.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | trans | -134.5 | 129.2 | -176.4 | -69.2 | 0 | 0 | 0 | 0 | 109.8 | S454 V455 L456 W591 | S454-C587 WeakPolarHBondContact CA-O 3.49Å; V455-C587 HydrophobicContact CB-CB 3.82Å; V455-C587 HydrophobicContact CG2-CB 4.11Å; V455-C587 WeakPolarHBondContact CG2-O 3.19Å; V455-C587 PolarHBondContact N-O 2.72Å; L456-C587 HydrophobicContact CD2-CB 4.23Å; L456-C587 HydrophobicContact CG-CB 4.25Å; C587-W591 HydrophobicContact CB-CB 4.5Å; C587-W591 HydrophobicContact CB-CD2 3.73Å; C587-W591 HydrophobicContact CB-CE3 3.57Å; C587-W591 HydrophobicContact CB-CG 4.15Å; C587-W591 HydrophobicContact CB-CZ3 4.01Å | ||
| 588 | T | 94.1 | Very high | 95.6 | Very high | 11 Ų | 11 | 16.8 Ų | 16.8 | 7% | 0.067 | 9% | 0.086 | C | C | . | . | trans | -108.2 | 176 | 179.3 | 56.9 | 0 | 0 | 0 | 0 | 111.3 | L33 V455 Y490 F586 D590 W591 | L33-T588 HydrophobicContact CD2-CG2 4.25Å; V455-T588 WeakPolarHBondContact CG2-O 3.48Å; Y490-T588 HydrophobicContact CE2-CG2 4.35Å; Y490-T588 WeakPolarHBondContact CE2-OG1 3.44Å; F586-T588 HydrophobicContact CD2-CG2 4.13Å; F586-T588 HydrophobicContact CE2-CG2 4.04Å; T588-D590 VanDerWaalsContact C-N 3.25Å; T588-D590 WeakPolarHBondContact CB-OD1 3.31Å; T588-D590 PolarHBondContact O-N 2.65Å; T588-D590 PolarHBondContact OG1-OD1 2.78Å; T588-D590 PolarHBondContact OG1-OD2 3.24Å; T588-W591 WeakPolarHBondContact O-CB 3.47Å; T588-W591 PolarHBondContact O-N 3.42Å | ||
| 589 | A | 93.6 | Very high | 95.5 | Very high | 22 Ų | 22 | 15.8 Ų | 15.8 | 18% | 0.182 | 8% | 0.083 | C | C | . | . | G | 310 helix | trans | -54.3 | -37.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | W591 L592 L631 M634 | A589-W591 VanDerWaalsContact C-N 3.32Å; A589-W591 PolarHBondContact O-N 3.07Å; A589-L592 PolarHBondContact O-N 3.36Å; A589-L631 HydrophobicContact CB-CD2 3.8Å; A589-L631 HydrophobicContact CB-CG 4.44Å; A589-M634 WeakPolarHBondContact O-CG 3.48Å |
| 590 | D | 94.6 | Very high | 95.3 | Very high | 33 Ų | 33 | 17.7 Ų | 17.7 | 18% | 0.176 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | -72.1 | -22 | 178.3 | 60.4 | -89.4 | 0 | 0 | 0 | 114 | R40 Y490 T588 P593 | R40-D590 IonicContact CZ-OD1 3.49Å; R40-D590 IonicContact NE-OD2 2.74Å; R40-D590 IonicContact NH1-OD1 3.45Å; R40-D590 PolarHBondContact NH1-OD1 3.39Å; R40-D590 IonicContact NH1-OD2 2.85Å; Y490-D590 PolarHBondContact OH-OD2 3.12Å; T588-D590 VanDerWaalsContact C-N 3.25Å; T588-D590 WeakPolarHBondContact CB-OD1 3.31Å; T588-D590 PolarHBondContact O-N 2.65Å; T588-D590 PolarHBondContact OG1-OD1 2.78Å; T588-D590 PolarHBondContact OG1-OD2 3.24Å; D590-P593 WeakPolarHBondContact O-CD 3.4Å; D590-P593 WeakPolarHBondContact O-CG 3.41Å |
| 591 | W | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -72.6 | -27.7 | 175.9 | 167.1 | 88 | 0 | 0 | 0 | 113.3 | V455 H487 W488 Y490 C587 T588 A589 I594 G595 F611 H613 L616 | V455-W591 HydrophobicContact CG1-CZ3 4.07Å; V455-W591 HydrophobicContact CG2-CE3 4.39Å; H487-W591 HydrophobicContact CB-CZ2 3.87Å; H487-W591 PolarHBondContact O-NE1 3.32Å; W488-W591 PolarHBondContact O-NE1 3.37Å; Y490-W591 HydrophobicContact CE2-CB 4.43Å; C587-W591 HydrophobicContact CB-CB 4.5Å; C587-W591 HydrophobicContact CB-CD2 3.73Å; C587-W591 HydrophobicContact CB-CE3 3.57Å; C587-W591 HydrophobicContact CB-CG 4.15Å; C587-W591 HydrophobicContact CB-CZ3 4.01Å; T588-W591 WeakPolarHBondContact O-CB 3.47Å; T588-W591 PolarHBondContact O-N 3.42Å; A589-W591 VanDerWaalsContact C-N 3.32Å; A589-W591 PolarHBondContact O-N 3.07Å; W591-I594 CarbonylContact O-C 3.47Å; W591-I594 VanDerWaalsContact O-CA 3.29Å; W591-I594 WeakPolarHBondContact O-CA 3.39Å; W591-I594 VanDerWaalsContact O-CB 3.28Å; W591-I594 WeakPolarHBondContact O-CB 3.34Å; W591-I594 PolarHBondContact O-N 3.45Å; W591-G595 PolarHBondContact O-N 2.79Å; W591-F611 HydrophobicContact CH2-CE2 4.17Å; W591-F611 AromaticContact CH2-CZ 3.93Å; W591-F611 HydrophobicContact CH2-CZ 3.93Å; W591-F611 HydrophobicContact CZ2-CZ 4.22Å; W591-H613 AromaticContact CH2-CE1 3.83Å; W591-H613 AromaticContact CH2-ND1 3.43Å; W591-H613 WeakPolarHBondContact CH2-ND1 3.41Å; W591-H613 AromaticContact CZ3-CE1 3.82Å; W591-H613 AromaticContact CZ3-ND1 3.86Å; W591-L616 HydrophobicContact CH2-CD2 4.02Å; W591-L616 HydrophobicContact CZ3-CD2 4.01Å |
| 592 | L | 96 | Very high | 94.5 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -47.3 | -55.1 | -176.7 | -71.3 | 165.2 | 0 | 0 | 0 | 114.1 | V455 A589 I594 G595 R596 H613 I617 M620 L631 M634 V635 E638 | V455-L592 HydrophobicContact CG1-CD2 3.94Å; V455-L592 HydrophobicContact CG2-CD2 4.18Å; V455-L592 HydrophobicContact CG2-CG 4.2Å; A589-L592 PolarHBondContact O-N 3.36Å; L592-I594 PolarHBondContact O-N 2.99Å; L592-G595 PolarHBondContact O-N 3.05Å; L592-R596 PolarHBondContact O-N 3.23Å; L592-H613 PolarHBondContact O-CE1 3.13Å; L592-H613 PolarHBondContact O-NE2 3.37Å; L592-I617 HydrophobicContact CD2-CD1 4.39Å; L592-I617 HydrophobicContact CD2-CG1 4.06Å; L592-M620 HydrophobicContact CD1-CE 4.28Å; L592-M620 HydrophobicContact CD2-CE 4.46Å; L592-M620 HydrophobicContact CD2-SD 4.2Å; L592-L631 HydrophobicContact CD1-CD2 4.48Å; L592-M634 HydrophobicContact CB-CG 3.98Å; L592-M634 HydrophobicContact CD1-CB 3.92Å; L592-M634 HydrophobicContact CD1-CG 3.88Å; L592-V635 HydrophobicContact CD1-CG2 3.93Å; L592-E638 HydrophobicContact CB-CG 4.39Å |
| 593 | P | 96.4 | Very high | 94.2 | Very high | 22 Ų | 22 | 19.8 Ų | 19.8 | 14% | 0.143 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.4 | -22.8 | 175 | 25 | -35.7 | 0 | 0 | 0 | 114.4 | D590 Q597 M634 E638 | D590-P593 WeakPolarHBondContact O-CD 3.4Å; D590-P593 WeakPolarHBondContact O-CG 3.41Å; P593-Q597 VanDerWaalsContact O-CG 3.3Å; P593-Q597 WeakPolarHBondContact O-CG 3.47Å; P593-Q597 PolarHBondContact O-N 2.92Å; P593-Q597 PolarHBondContact O-NE2 3.43Å; P593-M634 HydrophobicContact CG-CE 4.47Å; P593-M634 HydrophobicContact CG-SD 4.21Å; P593-E638 WeakPolarHBondContact CA-OE2 3.42Å |
| 594 | I | 96.1 | Very high | 93.7 | Very high | 39 Ų | 39 | 27.4 Ų | 27.4 | 20% | 0.2 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -79.6 | -42 | 178.4 | -51.7 | 178.5 | 0 | 0 | 0 | 110.1 | W488 P567 W591 L592 R596 Q597 C598 | W488-I594 HydrophobicContact CB-CG2 4.18Å; W488-I594 HydrophobicContact CE3-CG2 3.86Å; P567-I594 HydrophobicContact CB-CD1 3.63Å; P567-I594 HydrophobicContact CB-CG2 3.98Å; P567-I594 HydrophobicContact CG-CD1 4.06Å; W591-I594 CarbonylContact O-C 3.47Å; W591-I594 VanDerWaalsContact O-CA 3.29Å; W591-I594 WeakPolarHBondContact O-CA 3.39Å; W591-I594 VanDerWaalsContact O-CB 3.28Å; W591-I594 WeakPolarHBondContact O-CB 3.34Å; W591-I594 PolarHBondContact O-N 3.45Å; L592-I594 PolarHBondContact O-N 2.99Å; I594-R596 PolarHBondContact O-N 3.35Å; I594-Q597 CarbonylContact O-C 3.57Å; I594-Q597 WeakPolarHBondContact O-CA 3.49Å; I594-Q597 WeakPolarHBondContact O-CB 3.35Å; I594-Q597 PolarHBondContact O-N 3.41Å; I594-Q597 VanDerWaalsContact O-N 3.11Å; I594-C598 PolarHBondContact O-N 2.98Å |
| 595 | G | 95.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.7 | -44.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | W591 L592 Q597 C598 V599 | W591-G595 PolarHBondContact O-N 2.79Å; L592-G595 PolarHBondContact O-N 3.05Å; G595-Q597 VanDerWaalsContact C-N 3.31Å; G595-Q597 PolarHBondContact O-N 3.02Å; G595-C598 WeakPolarHBondContact O-CB 3.48Å; G595-C598 PolarHBondContact O-N 3.2Å; G595-C598 VanDerWaalsContact O-N 3.11Å; G595-V599 PolarHBondContact O-N 3.19Å |
| 596 | R | 96.1 | Very high | 92.2 | Very high | 60 Ų | 60 | 38.3 Ų | 38.3 | 23% | 0.226 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.7 | -38 | 173.5 | -175.4 | 171 | 53.9 | 86.3 | 6.3 | 112.4 | L592 I594 N600 H613 E638 | L592-R596 PolarHBondContact O-N 3.23Å; I594-R596 PolarHBondContact O-N 3.35Å; R596-N600 WeakPolarHBondContact O-CB 3.39Å; R596-N600 PolarHBondContact O-N 2.64Å; R596-N600 PolarHBondContact O-ND2 3.42Å; R596-N600 VanDerWaalsContact O-ND2 3.12Å; R596-H613 PolarHBondContact N-CE1 2.83Å; R596-H613 PolarHBondContact N-NE2 3.29Å; R596-E638 IonicContact CZ-OE2 3.87Å; R596-E638 IonicContact NE-OE2 2.74Å; R596-E638 PolarHBondContact NE-OE2 3.4Å; R596-E638 VanDerWaalsContact NH2-CD 3.32Å; R596-E638 IonicContact NH2-OE1 2.79Å; R596-E638 PolarHBondContact NH2-OE1 2.8Å; R596-E638 VanDerWaalsContact NH2-OE1 3.16Å; R596-E638 IonicContact NH2-OE2 3.2Å; R596-E638 PolarHBondContact NH2-OE2 3.08Å |
| 597 | Q | 95.3 | Very high | 91.4 | Very high | 103 Ų | 103 | 38.9 Ų | 38.9 | 48% | 0.481 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -67.2 | -37 | 173.5 | -74.2 | 172.3 | 87.8 | 0 | 0 | 112.1 | W488 P593 I594 G595 N600 H601 | W488-Q597 HydrophobicContact CZ3-CB 4.08Å; P593-Q597 VanDerWaalsContact O-CG 3.3Å; P593-Q597 WeakPolarHBondContact O-CG 3.47Å; P593-Q597 PolarHBondContact O-N 2.92Å; P593-Q597 PolarHBondContact O-NE2 3.43Å; I594-Q597 CarbonylContact O-C 3.57Å; I594-Q597 WeakPolarHBondContact O-CA 3.49Å; I594-Q597 WeakPolarHBondContact O-CB 3.35Å; I594-Q597 PolarHBondContact O-N 3.41Å; I594-Q597 VanDerWaalsContact O-N 3.11Å; G595-Q597 VanDerWaalsContact C-N 3.31Å; G595-Q597 PolarHBondContact O-N 3.02Å; Q597-N600 PolarHBondContact O-N 2.9Å; Q597-H601 WeakPolarHBondContact O-CB 3.5Å; Q597-H601 PolarHBondContact O-N 3.37Å |
| 598 | C | 94.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.5 | -49.3 | 174.9 | -167.6 | 0 | 0 | 0 | 0 | 111.5 | H487 W488 I594 G595 N600 H601 Y602 | H487-C598 WeakPolarHBondContact CA-SG 3.47Å; W488-C598 HydrophobicContact CB-CB 4.26Å; W488-C598 HydrophobicContact CD2-CB 3.53Å; W488-C598 VanDerWaalsContact CE2-SG 3.56Å; W488-C598 HydrophobicContact CE3-CB 3.6Å; W488-C598 HydrophobicContact CG-CB 3.83Å; W488-C598 HydrophobicContact CZ3-CB 4.19Å; I594-C598 PolarHBondContact O-N 2.98Å; G595-C598 WeakPolarHBondContact O-CB 3.48Å; G595-C598 PolarHBondContact O-N 3.2Å; G595-C598 VanDerWaalsContact O-N 3.11Å; C598-N600 VanDerWaalsContact C-N 3.29Å; C598-N600 PolarHBondContact O-N 2.94Å; C598-H601 CarbonylContact O-C 3.6Å; C598-H601 WeakPolarHBondContact O-CA 3.36Å; C598-H601 WeakPolarHBondContact O-CB 3.43Å; C598-H601 PolarHBondContact O-N 3.39Å; C598-Y602 PolarHBondContact O-N 3.3Å; C598-Y602 WeakPolarHBondContact SG-CE1 3.45Å |
| 599 | V | 94.5 | Very high | 90.6 | Very high | 10 Ų | 10 | 42.9 Ų | 42.9 | 6% | 0.061 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.5 | -39.7 | 175.5 | 175.5 | 0 | 0 | 0 | 0 | 111.3 | G595 H601 Y602 R603 H613 T681 | G595-V599 PolarHBondContact O-N 3.19Å; V599-H601 PolarHBondContact O-N 2.89Å; V599-Y602 PolarHBondContact O-N 3.48Å; V599-R603 VanDerWaalsContact O-CB 3.31Å; V599-R603 WeakPolarHBondContact O-CB 3.48Å; V599-R603 PolarHBondContact O-N 3.41Å; V599-H613 HydrophobicContact CG2-CB 3.76Å; V599-T681 HydrophobicContact CG1-CG2 3.88Å |
| 600 | N | 93.4 | Very high | 90.2 | Very high | 41 Ų | 41 | 44.2 Ų | 44.2 | 22% | 0.219 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.3 | -28.5 | 172.4 | -73.6 | -30.3 | 0 | 0 | 0 | 112.9 | R596 Q597 C598 R603 R604 | R596-N600 WeakPolarHBondContact O-CB 3.39Å; R596-N600 PolarHBondContact O-N 2.64Å; R596-N600 PolarHBondContact O-ND2 3.42Å; R596-N600 VanDerWaalsContact O-ND2 3.12Å; Q597-N600 PolarHBondContact O-N 2.9Å; C598-N600 VanDerWaalsContact C-N 3.29Å; C598-N600 PolarHBondContact O-N 2.94Å; N600-R603 VanDerWaalsContact OD1-CZ 3.23Å; N600-R603 PolarHBondContact OD1-NH1 3.25Å; N600-R603 PolarHBondContact OD1-NH2 2.9Å; N600-R604 PolarHBondContact O-NH1 3.35Å |
| 601 | H | 89.4 | Confident | 90 | Very high | 16 Ų | 16 | 43.3 Ų | 43.3 | 7% | 0.074 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -78.3 | -49.7 | 174.4 | -174.4 | 122.6 | 0 | 0 | 0 | 111.3 | W488 Q597 C598 V599 R603 R604 L605 | W488-H601 HydrophobicContact CH2-CB 3.82Å; W488-H601 AromaticContact CH2-CG 3.98Å; W488-H601 AromaticContact CH2-ND1 3.8Å; W488-H601 HydrophobicContact CZ2-CB 3.86Å; W488-H601 AromaticContact CZ2-CG 3.71Å; W488-H601 AromaticContact CZ2-ND1 3.66Å; Q597-H601 WeakPolarHBondContact O-CB 3.5Å; Q597-H601 PolarHBondContact O-N 3.37Å; C598-H601 CarbonylContact O-C 3.6Å; C598-H601 WeakPolarHBondContact O-CA 3.36Å; C598-H601 WeakPolarHBondContact O-CB 3.43Å; C598-H601 PolarHBondContact O-N 3.39Å; V599-H601 PolarHBondContact O-N 2.89Å; H601-R603 PolarHBondContact O-N 2.69Å; H601-R604 WeakPolarHBondContact O-CA 3.36Å; H601-R604 WeakPolarHBondContact O-CB 3.15Å; H601-R604 PolarHBondContact O-N 3.46Å; H601-L605 WeakPolarHBondContact NE2-CD1 3.41Å; H601-L605 PolarHBondContact O-N 3.29Å |
| 602 | Y | 88.2 | Confident | 89.8 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -55.7 | -39.2 | 175.6 | -71.9 | 3.4 | 0 | 0 | 0 | 111.8 | H487 C598 V599 R604 L605 R606 R607 | H487-Y602 PolarHBondContact N-OH 3.48Å; C598-Y602 PolarHBondContact O-N 3.3Å; C598-Y602 WeakPolarHBondContact SG-CE1 3.45Å; V599-Y602 PolarHBondContact O-N 3.48Å; Y602-R604 PolarHBondContact O-N 2.83Å; Y602-L605 CarbonylContact O-C 3.4Å; Y602-L605 PolarHBondContact O-N 3.24Å; Y602-L605 VanDerWaalsContact O-N 3.1Å; Y602-R606 PolarHBondContact O-N 3.09Å; Y602-R607 HydrophobicContact CD1-CB 4.43Å; Y602-R607 HydrophobicContact CD1-CG 4.37Å; Y602-R607 HydrophobicContact CD2-CG 4.21Å; Y602-R607 HydrophobicContact CG-CB 4.16Å; Y602-R607 HydrophobicContact CG-CG 4.14Å; Y602-R607 PolarHBondContact O-N 3.18Å; Y602-R607 VanDerWaalsContact O-N 3.08Å; Y602-R607 PolarHBondContact OH-NH2 2.96Å |
| 603 | R | 90.2 | Very high | 89.7 | Confident | 27 Ų | 27 | 43.9 Ų | 43.9 | 10% | 0.102 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.6 | -33.1 | 173.3 | -166.1 | -174.7 | -54.6 | 128.6 | 11.2 | 113.3 | V599 N600 H601 C679 | V599-R603 VanDerWaalsContact O-CB 3.31Å; V599-R603 WeakPolarHBondContact O-CB 3.48Å; V599-R603 PolarHBondContact O-N 3.41Å; N600-R603 VanDerWaalsContact OD1-CZ 3.23Å; N600-R603 PolarHBondContact OD1-NH1 3.25Å; N600-R603 PolarHBondContact OD1-NH2 2.9Å; H601-R603 PolarHBondContact O-N 2.69Å; R603-C679 HydrophobicContact CG-CB 3.93Å; R603-C679 WeakPolarHBondContact O-CB 3.2Å |
| 604 | R | 86.1 | Confident | 89.6 | Confident | 171 Ų | 171 | 45 Ų | 45 | 65% | 0.645 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -77.9 | -35.7 | 176 | -63.3 | -173.7 | -61.2 | -95.5 | 15.1 | 112.2 | N600 H601 Y602 R606 | N600-R604 PolarHBondContact O-NH1 3.35Å; H601-R604 WeakPolarHBondContact O-CA 3.36Å; H601-R604 WeakPolarHBondContact O-CB 3.15Å; H601-R604 PolarHBondContact O-N 3.46Å; Y602-R604 PolarHBondContact O-N 2.83Å; R604-R606 VanDerWaalsContact C-N 3.34Å |
| 605 | L | 76.5 | Confident | 89.4 | Confident | 70 Ų | 70 | 44.2 Ų | 44.2 | 37% | 0.366 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -79.1 | -14.5 | 177.3 | -60.8 | -174 | 0 | 0 | 0 | 114.1 | H534 H601 Y602 R607 | H534-L605 WeakPolarHBondContact CE1-CD1 3.38Å; H601-L605 WeakPolarHBondContact NE2-CD1 3.41Å; H601-L605 PolarHBondContact O-N 3.29Å; Y602-L605 CarbonylContact O-C 3.4Å; Y602-L605 PolarHBondContact O-N 3.24Å; Y602-L605 VanDerWaalsContact O-N 3.1Å; L605-R607 VanDerWaalsContact C-N 3.27Å; L605-R607 HydrophobicContact CB-CB 4.38Å |
| 606 | R | 80.4 | Confident | 89.3 | Confident | 179 Ų | 179 | 44.4 Ų | 44.4 | 68% | 0.675 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 26.6 | -168.2 | -46.1 | 179.5 | 171.4 | 171.1 | -4.5 | 113.7 | Y602 R604 A678 C679 R680 | Y602-R606 PolarHBondContact O-N 3.09Å; R604-R606 VanDerWaalsContact C-N 3.34Å; R606-A678 WeakPolarHBondContact CD-O 3.33Å; R606-A678 PolarHBondContact NE-O 2.85Å; R606-C679 WeakPolarHBondContact CA-O 3.19Å; R606-R680 WeakPolarHBondContact O-CB 3.21Å; R606-R680 VanDerWaalsContact O-CG 3.31Å; R606-R680 WeakPolarHBondContact O-CG 3.23Å |
| 607 | R | 77.1 | Confident | 89.2 | Confident | 13 Ų | 13 | 41.6 Ų | 41.6 | 5% | 0.049 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -77.1 | 141.2 | 176 | 176.4 | 170.1 | 169.3 | 178.8 | 1.6 | 110.5 | P246 D486 H534 Y602 L605 | P246-R607 HydrophobicContact CG-CG 3.96Å; D486-R607 IonicContact OD1-CZ 3.16Å; D486-R607 IonicContact OD1-NH2 3.43Å; D486-R607 PolarHBondContact OD1-NH2 3.18Å; H534-R607 VanDerWaalsContact CB-NH1 3.3Å; H534-R607 PolarHBondContact CD2-NH1 3.45Å; Y602-R607 HydrophobicContact CD1-CB 4.43Å; Y602-R607 HydrophobicContact CD1-CG 4.37Å; Y602-R607 HydrophobicContact CD2-CG 4.21Å; Y602-R607 HydrophobicContact CG-CB 4.16Å; Y602-R607 HydrophobicContact CG-CG 4.14Å; Y602-R607 PolarHBondContact O-N 3.18Å; Y602-R607 VanDerWaalsContact O-N 3.08Å; Y602-R607 PolarHBondContact OH-NH2 2.96Å; L605-R607 VanDerWaalsContact C-N 3.27Å; L605-R607 HydrophobicContact CB-CB 4.38Å |
| 608 | H | 83.9 | Confident | 89.1 | Confident | 86 Ų | 86 | 36.9 Ų | 36.9 | 40% | 0.398 | 16% | 0.164 | S | C | . | . | P | Polyproline II helix | trans | -66.8 | 148.3 | 175.3 | -66.9 | -103.6 | 0 | 0 | 0 | 111.2 | Q675 | H608-Q675 PolarHBondContact CE1-OE1 3.4Å; H608-Q675 PolarHBondContact ND1-OE1 3.05Å |
| 609 | C | 87.9 | Confident | 88.9 | Confident | 9 Ų | 9 | 40.1 Ų | 40.1 | 6% | 0.061 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -97.2 | 139.3 | 173.7 | -61.2 | 0 | 0 | 0 | 0 | 109.8 | F611 | C609-F611 VanDerWaalsContact C-N 3.25Å; C609-F611 WeakPolarHBondContact CB-O 3.41Å; C609-F611 PolarHBondContact O-N 3.34Å |
| 610 | V | 86.6 | Confident | 88.8 | Confident | 49 Ų | 49 | 39.7 Ų | 39.7 | 30% | 0.297 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -72.6 | -21.4 | 177.8 | -173.3 | 0 | 0 | 0 | 0 | 112.3 | I463 D486 H487 | I463-V610 HydrophobicContact CD1-CG1 4.47Å; I463-V610 HydrophobicContact CG2-CG1 3.67Å; D486-V610 HydrophobicContact CB-CG2 4.05Å; H487-V610 PolarHBondContact NE2-N 2.92Å |
| 611 | F | 89.9 | Confident | 88.7 | Confident | 14 Ų | 14 | 37.8 Ų | 37.8 | 6% | 0.061 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -162.6 | 166.1 | 175.8 | 57.8 | -91.5 | 0 | 0 | 0 | 108.7 | I463 M466 H487 W591 C609 L616 | I463-F611 HydrophobicContact CD1-CB 4.14Å; I463-F611 HydrophobicContact CD1-CD1 3.81Å; I463-F611 HydrophobicContact CD1-CG 4.3Å; M466-F611 HydrophobicContact CE-CE1 3.93Å; M466-F611 HydrophobicContact SD-CD1 4.34Å; M466-F611 HydrophobicContact SD-CE1 3.86Å; H487-F611 HydrophobicContact CB-CE1 4.5Å; H487-F611 HydrophobicContact CB-CZ 4.22Å; H487-F611 AromaticContact CD2-CD1 3.79Å; H487-F611 AromaticContact CD2-CE1 3.24Å; H487-F611 WeakPolarHBondContact CD2-CE1 3.16Å; H487-F611 AromaticContact CD2-CZ 3.61Å; H487-F611 AromaticContact CE1-CE1 3.94Å; H487-F611 AromaticContact CE1-CE2 3.91Å; H487-F611 AromaticContact CE1-CZ 3.83Å; H487-F611 PolarHBondContact CE1-O 3.2Å; H487-F611 VanDerWaalsContact CE1-O 3.23Å; H487-F611 AromaticContact CG-CE1 3.86Å; H487-F611 AromaticContact CG-CZ 3.74Å; H487-F611 AromaticContact ND1-CZ 3.91Å; H487-F611 AromaticContact NE2-CD1 3.37Å; H487-F611 WeakPolarHBondContact NE2-CD1 3.14Å; H487-F611 AromaticContact NE2-CE1 3.29Å; H487-F611 VanDerWaalsContact NE2-CE1 3.29Å; H487-F611 WeakPolarHBondContact NE2-CE1 3.08Å; H487-F611 AromaticContact NE2-CG 3.82Å; H487-F611 AromaticContact NE2-CZ 3.65Å; H487-F611 PolarHBondContact NE2-N 3.1Å; W591-F611 HydrophobicContact CH2-CE2 4.17Å; W591-F611 AromaticContact CH2-CZ 3.93Å; W591-F611 HydrophobicContact CH2-CZ 3.93Å; W591-F611 HydrophobicContact CZ2-CZ 4.22Å; C609-F611 VanDerWaalsContact C-N 3.25Å; C609-F611 WeakPolarHBondContact CB-O 3.41Å; C609-F611 PolarHBondContact O-N 3.34Å; F611-L616 HydrophobicContact CD2-CD2 4.23Å; F611-L616 HydrophobicContact CE2-CD2 3.59Å; F611-L616 HydrophobicContact CZ-CD2 4.3Å |
| 612 | S | 92.3 | Very high | 88.7 | Confident | 6 Ų | 6 | 40.5 Ų | 40.5 | 4% | 0.042 | 19% | 0.19 | C | C | . | . | trans | -82.1 | 116 | 170.5 | 177.6 | 0 | 0 | 0 | 0 | 111.5 | E614 E615 L616 F684 | S612-E614 PolarHBondContact O-N 3.32Å; S612-E614 PolarHBondContact OG-N 3.35Å; S612-E615 PolarHBondContact O-N 3.19Å; S612-E615 PolarHBondContact OG-N 3.24Å; S612-L616 PolarHBondContact O-N 3.46Å; S612-F684 WeakPolarHBondContact OG-CB 3.33Å | ||
| 613 | H | 94 | Very high | 88.6 | Confident | 6 Ų | 6 | 44.1 Ų | 44.1 | 3% | 0.028 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.2 | -26.2 | 172.7 | -176.2 | 91.1 | 0 | 0 | 0 | 112.2 | W591 L592 R596 V599 I617 | W591-H613 AromaticContact CH2-CE1 3.83Å; W591-H613 AromaticContact CH2-ND1 3.43Å; W591-H613 WeakPolarHBondContact CH2-ND1 3.41Å; W591-H613 AromaticContact CZ3-CE1 3.82Å; W591-H613 AromaticContact CZ3-ND1 3.86Å; L592-H613 PolarHBondContact O-CE1 3.13Å; L592-H613 PolarHBondContact O-NE2 3.37Å; R596-H613 PolarHBondContact N-CE1 2.83Å; R596-H613 PolarHBondContact N-NE2 3.29Å; V599-H613 HydrophobicContact CG2-CB 3.76Å; H613-I617 WeakPolarHBondContact NE2-CD1 3.04Å; H613-I617 PolarHBondContact O-N 3.38Å |
| 614 | E | 93.3 | Very high | 88.5 | Confident | 45 Ų | 45 | 43.9 Ų | 43.9 | 21% | 0.21 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -71.2 | -44.6 | 176.4 | -52 | 179 | 162.9 | 0 | 0 | 111 | S612 L616 I617 F618 M642 F684 L685 | S612-E614 PolarHBondContact O-N 3.32Å; S612-E614 PolarHBondContact OG-N 3.35Å; E614-L616 VanDerWaalsContact C-N 3.29Å; E614-L616 PolarHBondContact O-N 3.08Å; E614-I617 PolarHBondContact O-N 2.66Å; E614-F618 WeakPolarHBondContact O-CD2 3.5Å; E614-F618 PolarHBondContact O-N 3.07Å; E614-F618 VanDerWaalsContact O-N 3.11Å; E614-M642 HydrophobicContact CB-CE 3.81Å; E614-M642 HydrophobicContact CG-CE 4.07Å; E614-F684 HydrophobicContact CB-CB 4.24Å; E614-F684 HydrophobicContact CB-CD1 3.85Å; E614-F684 HydrophobicContact CB-CG 4.48Å; E614-L685 HydrophobicContact CB-CD1 4.33Å; E614-L685 HydrophobicContact CB-CG 4.1Å; E614-L685 HydrophobicContact CG-CD1 4.41Å; E614-L685 WeakPolarHBondContact OE2-CG 3.29Å; E614-L685 PolarHBondContact OE2-N 3.37Å |
| 615 | E | 93.3 | Very high | 88.4 | Confident | 23 Ų | 23 | 43.8 Ų | 43.8 | 11% | 0.107 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.6 | -40.7 | 176.2 | -174.3 | -172.9 | 130.6 | 0 | 0 | 111.5 | S612 F618 K619 E667 R674 F684 | S612-E615 PolarHBondContact O-N 3.19Å; S612-E615 PolarHBondContact OG-N 3.24Å; E615-F618 PolarHBondContact O-N 3.2Å; E615-K619 HydrophobicContact CG-CD 4.18Å; E615-K619 WeakPolarHBondContact O-CB 3.28Å; E615-K619 WeakPolarHBondContact O-CG 3.33Å; E615-K619 PolarHBondContact O-N 3.47Å; E615-K619 WeakPolarHBondContact OE1-CE 3.23Å; E615-K619 IonicContact OE1-NZ 2.96Å; E615-K619 PolarHBondContact OE1-NZ 3.12Å; E615-E667 HydrophobicContact CG-CB 4.34Å; E615-R674 IonicContact OE2-CZ 2.62Å; E615-R674 IonicContact OE2-NH1 3.12Å; E615-R674 PolarHBondContact OE2-NH1 3.33Å; E615-R674 IonicContact OE2-NH2 2.66Å; E615-R674 PolarHBondContact OE2-NH2 3.42Å; E615-F684 HydrophobicContact CB-CB 4.24Å; E615-F684 HydrophobicContact CB-CD1 4.09Å; E615-F684 HydrophobicContact CB-CD2 3.63Å; E615-F684 HydrophobicContact CB-CE1 4.38Å; E615-F684 HydrophobicContact CB-CE2 3.95Å; E615-F684 HydrophobicContact CB-CG 3.7Å; E615-F684 HydrophobicContact CB-CZ 4.3Å; E615-F684 HydrophobicContact CG-CD2 3.75Å; E615-F684 HydrophobicContact CG-CE2 3.72Å; E615-F684 HydrophobicContact CG-CG 4.34Å; E615-F684 HydrophobicContact CG-CZ 4.27Å |
| 616 | L | 92.7 | Very high | 88.6 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.6 | -51.1 | 177.9 | -178.7 | 52.4 | 0 | 0 | 0 | 112.2 | V455 H458 I459 W591 F611 S612 E614 F618 K619 M620 | V455-L616 HydrophobicContact CG1-CD1 3.96Å; V455-L616 HydrophobicContact CG1-CD2 3.71Å; V455-L616 HydrophobicContact CG1-CG 3.84Å; H458-L616 HydrophobicContact CB-CD1 4.42Å; I459-L616 HydrophobicContact CD1-CD1 3.98Å; I459-L616 HydrophobicContact CD1-CD2 4.17Å; I459-L616 HydrophobicContact CG1-CD1 3.59Å; W591-L616 HydrophobicContact CH2-CD2 4.02Å; W591-L616 HydrophobicContact CZ3-CD2 4.01Å; F611-L616 HydrophobicContact CD2-CD2 4.23Å; F611-L616 HydrophobicContact CE2-CD2 3.59Å; F611-L616 HydrophobicContact CZ-CD2 4.3Å; S612-L616 PolarHBondContact O-N 3.46Å; E614-L616 VanDerWaalsContact C-N 3.29Å; E614-L616 PolarHBondContact O-N 3.08Å; L616-F618 VanDerWaalsContact C-N 3.28Å; L616-F618 PolarHBondContact O-N 3.36Å; L616-K619 PolarHBondContact O-N 2.77Å; L616-M620 HydrophobicContact CD1-SD 4.5Å; L616-M620 HydrophobicContact CG-SD 4.42Å; L616-M620 VanDerWaalsContact O-CG 3.3Å; L616-M620 WeakPolarHBondContact O-CG 3.43Å; L616-M620 PolarHBondContact O-N 2.78Å |
| 617 | I | 93.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62 | -36.4 | 177.6 | -76.7 | 174.8 | 0 | 0 | 0 | 111.5 | L592 H613 E614 A621 V635 E638 L639 M642 | L592-I617 HydrophobicContact CD2-CD1 4.39Å; L592-I617 HydrophobicContact CD2-CG1 4.06Å; H613-I617 WeakPolarHBondContact NE2-CD1 3.04Å; H613-I617 PolarHBondContact O-N 3.38Å; E614-I617 PolarHBondContact O-N 2.66Å; I617-A621 WeakPolarHBondContact O-CB 3.48Å; I617-A621 PolarHBondContact O-N 2.77Å; I617-V635 HydrophobicContact CG2-CG1 4.34Å; I617-E638 HydrophobicContact CD1-CB 4.08Å; I617-L639 HydrophobicContact CG2-CB 4.12Å; I617-L639 HydrophobicContact CG2-CD1 4.21Å; I617-M642 HydrophobicContact CB-CE 4.27Å; I617-M642 HydrophobicContact CB-SD 4.2Å; I617-M642 HydrophobicContact CD1-CE 4.5Å; I617-M642 HydrophobicContact CD1-SD 3.52Å; I617-M642 VanDerWaalsContact CD1-SD 3.52Å; I617-M642 HydrophobicContact CG1-SD 4.44Å; I617-M642 HydrophobicContact CG2-CE 4.16Å; I617-M642 HydrophobicContact CG2-SD 3.89Å |
| 618 | F | 92.2 | Very high | 89.5 | Confident | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -74.2 | -33.7 | 177.7 | -87.4 | -108.7 | 0 | 0 | 0 | 113.4 | E614 E615 L616 A621 A622 L639 M642 F684 L685 Y720 L725 L728 | E614-F618 WeakPolarHBondContact O-CD2 3.5Å; E614-F618 PolarHBondContact O-N 3.07Å; E614-F618 VanDerWaalsContact O-N 3.11Å; E615-F618 PolarHBondContact O-N 3.2Å; L616-F618 VanDerWaalsContact C-N 3.28Å; L616-F618 PolarHBondContact O-N 3.36Å; F618-A621 PolarHBondContact O-N 3.22Å; F618-A622 PolarHBondContact O-N 2.75Å; F618-L639 HydrophobicContact CD2-CD1 3.89Å; F618-L639 HydrophobicContact CE1-CD1 4.26Å; F618-L639 HydrophobicContact CE2-CD1 3.18Å; F618-L639 HydrophobicContact CZ-CD1 3.42Å; F618-L639 VanDerWaalsContact CZ-CD1 3.42Å; F618-M642 HydrophobicContact CD2-CE 4.1Å; F618-M642 HydrophobicContact CE2-CE 3.85Å; F618-F684 HydrophobicContact CB-CE1 3.7Å; F618-F684 HydrophobicContact CB-CZ 3.96Å; F618-F684 HydrophobicContact CD1-CE1 4.3Å; F618-F684 HydrophobicContact CD2-CE1 4.16Å; F618-F684 AromaticContact CG-CE1 3.79Å; F618-F684 HydrophobicContact CG-CE1 3.79Å; F618-F684 HydrophobicContact CG-CZ 4.4Å; F618-L685 HydrophobicContact CD1-CD2 4.47Å; F618-L685 HydrophobicContact CD2-CD2 3.99Å; F618-L685 HydrophobicContact CE1-CD2 4.01Å; F618-L685 HydrophobicContact CE2-CD1 4.36Å; F618-L685 HydrophobicContact CE2-CD2 3.5Å; F618-L685 VanDerWaalsContact CE2-CD2 3.5Å; F618-L685 HydrophobicContact CE2-CG 4.49Å; F618-L685 HydrophobicContact CG-CD2 4.44Å; F618-L685 HydrophobicContact CZ-CD2 3.49Å; F618-L685 VanDerWaalsContact CZ-CD2 3.49Å; F618-Y720 AromaticContact CD1-CD2 3.75Å; F618-Y720 HydrophobicContact CD1-CD2 3.75Å; F618-Y720 AromaticContact CD1-CE2 3.21Å; F618-Y720 HydrophobicContact CD1-CE2 3.21Å; F618-Y720 AromaticContact CD1-CZ 3.86Å; F618-Y720 AromaticContact CE1-CD2 3.61Å; F618-Y720 HydrophobicContact CE1-CD2 3.61Å; F618-Y720 AromaticContact CE1-CE2 3.61Å; F618-Y720 HydrophobicContact CE1-CE2 3.61Å; F618-Y720 HydrophobicContact CE1-CG 4.48Å; F618-Y720 HydrophobicContact CG-CE2 4.1Å; F618-L725 HydrophobicContact CE1-CD2 3.61Å; F618-L725 HydrophobicContact CZ-CD2 3.77Å; F618-L728 HydrophobicContact CD1-CD1 3.65Å; F618-L728 HydrophobicContact CE1-CD1 3.64Å |
| 619 | K | 91 | Very high | 89.7 | Confident | 69 Ų | 69 | 30.9 Ų | 30.9 | 30% | 0.3 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -63.7 | -42.3 | 171.1 | -78.9 | 174.9 | 172.1 | 173.2 | 0 | 111.8 | E615 L616 A621 A622 | E615-K619 HydrophobicContact CG-CD 4.18Å; E615-K619 WeakPolarHBondContact O-CB 3.28Å; E615-K619 WeakPolarHBondContact O-CG 3.33Å; E615-K619 PolarHBondContact O-N 3.47Å; E615-K619 WeakPolarHBondContact OE1-CE 3.23Å; E615-K619 IonicContact OE1-NZ 2.96Å; E615-K619 PolarHBondContact OE1-NZ 3.12Å; L616-K619 PolarHBondContact O-N 2.77Å; K619-A621 VanDerWaalsContact C-N 3.31Å; K619-A621 PolarHBondContact O-N 3.16Å; K619-A622 PolarHBondContact O-N 2.82Å |
| 620 | M | 91.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64 | -35.5 | 172.3 | -61.4 | 164.9 | 84.9 | 0 | 0 | 112.3 | V455 H458 L592 L616 A622 L627 L631 V635 | V455-M620 HydrophobicContact CG1-CE 3.96Å; V455-M620 HydrophobicContact CG1-SD 3.71Å; V455-M620 HydrophobicContact CG2-CE 4.3Å; H458-M620 HydrophobicContact CB-CG 4.05Å; L592-M620 HydrophobicContact CD1-CE 4.28Å; L592-M620 HydrophobicContact CD2-CE 4.46Å; L592-M620 HydrophobicContact CD2-SD 4.2Å; L616-M620 HydrophobicContact CD1-SD 4.5Å; L616-M620 HydrophobicContact CG-SD 4.42Å; L616-M620 VanDerWaalsContact O-CG 3.3Å; L616-M620 WeakPolarHBondContact O-CG 3.43Å; L616-M620 PolarHBondContact O-N 2.78Å; M620-A622 VanDerWaalsContact C-N 3.3Å; M620-A622 PolarHBondContact O-N 3.47Å; M620-L627 HydrophobicContact CB-CD1 4.24Å; M620-L627 HydrophobicContact CB-CD2 4.37Å; M620-L627 HydrophobicContact CE-CD1 3.93Å; M620-L627 HydrophobicContact CG-CD1 4.45Å; M620-L631 HydrophobicContact CE-CB 4.18Å; M620-L631 HydrophobicContact CE-CD1 4.21Å; M620-L631 HydrophobicContact CE-CD2 3.86Å; M620-L631 HydrophobicContact CE-CG 4.33Å; M620-V635 HydrophobicContact CB-CG2 4.14Å; M620-V635 HydrophobicContact CE-CG2 3.59Å; M620-V635 HydrophobicContact SD-CG2 3.93Å |
| 621 | A | 91.8 | Very high | 89.9 | Confident | 2 Ų | 2 | 29.7 Ų | 29.7 | 2% | 0.017 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -75.6 | -15.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | I617 F618 K619 V635 L639 L728 V732 | I617-A621 WeakPolarHBondContact O-CB 3.48Å; I617-A621 PolarHBondContact O-N 2.77Å; F618-A621 PolarHBondContact O-N 3.22Å; K619-A621 VanDerWaalsContact C-N 3.31Å; K619-A621 PolarHBondContact O-N 3.16Å; A621-V635 HydrophobicContact CB-CG1 4.33Å; A621-L639 HydrophobicContact CB-CD2 3.86Å; A621-L728 HydrophobicContact CB-CB 4.45Å; A621-V732 HydrophobicContact CB-CG2 3.7Å |
| 622 | A | 89.4 | Confident | 90 | Very high | 72 Ų | 72 | 29 Ų | 29 | 60% | 0.595 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -81.5 | -23 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | F618 K619 M620 | F618-A622 PolarHBondContact O-N 2.75Å; K619-A622 PolarHBondContact O-N 2.82Å; M620-A622 VanDerWaalsContact C-N 3.3Å; M620-A622 PolarHBondContact O-N 3.47Å |
| 623 | D | 87.2 | Confident | 90 | Very high | 76 Ų | 76 | 31.2 Ų | 31.2 | 41% | 0.406 | 19% | 0.185 | S | C | . | . | trans | -127.3 | 83 | 170.1 | -173.6 | -8.8 | 0 | 0 | 0 | 111.3 | E625 C626 | D623-E625 VanDerWaalsContact C-N 3.26Å; D623-E625 PolarHBondContact O-N 3Å; D623-E625 PolarHBondContact OD1-N 2.81Å; D623-E625 VanDerWaalsContact OD1-N 3.14Å; D623-C626 PolarHBondContact OD1-N 2.84Å; D623-C626 VanDerWaalsContact OD1-N 3.12Å; D623-C626 PolarHBondContact OD2-SG 3.46Å | ||
| 624 | P | 87.5 | Confident | 89.9 | Confident | 23 Ų | 23 | 33 Ų | 33 | 15% | 0.149 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -10.1 | 176.9 | -18 | 33.4 | 0 | 0 | 0 | 114.6 | V732 R735 | P624-V732 HydrophobicContact CB-CG2 4.48Å; P624-V732 HydrophobicContact CG-CG2 4.19Å; P624-R735 HydrophobicContact CB-CB 4.25Å; P624-R735 WeakPolarHBondContact O-CD 3.36Å; P624-R735 WeakPolarHBondContact O-CG 3.22Å; P624-R735 PolarHBondContact O-NE 3.15Å |
| 625 | E | 83.9 | Confident | 90 | Very high | 168 Ų | 168 | 30.8 Ų | 30.8 | 79% | 0.785 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89 | -36.6 | -172.8 | -66.6 | -166.9 | 170.4 | 0 | 0 | 112.1 | D623 L627 | D623-E625 VanDerWaalsContact C-N 3.26Å; D623-E625 PolarHBondContact O-N 3Å; D623-E625 PolarHBondContact OD1-N 2.81Å; D623-E625 VanDerWaalsContact OD1-N 3.14Å; E625-L627 VanDerWaalsContact C-N 3.35Å |
| 626 | C | 80.2 | Confident | 89.9 | Confident | 41 Ų | 41 | 30.9 Ų | 30.9 | 28% | 0.277 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -29.5 | 170.3 | 74 | 0 | 0 | 0 | 0 | 112.9 | D623 | D623-C626 PolarHBondContact OD1-N 2.84Å; D623-C626 VanDerWaalsContact OD1-N 3.12Å; D623-C626 PolarHBondContact OD2-SG 3.46Å |
| 627 | L | 86.6 | Confident | 89.9 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -62.2 | 134.6 | -168.4 | -165.6 | 64.7 | 0 | 0 | 0 | 113.4 | H458 M620 E625 L631 A632 V635 R735 | H458-L627 VanDerWaalsContact NE2-CD1 3.32Å; H458-L627 WeakPolarHBondContact NE2-CD1 3.45Å; M620-L627 HydrophobicContact CB-CD1 4.24Å; M620-L627 HydrophobicContact CB-CD2 4.37Å; M620-L627 HydrophobicContact CE-CD1 3.93Å; M620-L627 HydrophobicContact CG-CD1 4.45Å; E625-L627 VanDerWaalsContact C-N 3.35Å; L627-L631 HydrophobicContact CD1-CB 3.71Å; L627-L631 HydrophobicContact CD1-CD1 3.78Å; L627-L631 HydrophobicContact CD1-CG 4.39Å; L627-L631 HydrophobicContact CD2-CB 4.41Å; L627-L631 HydrophobicContact CG-CB 3.85Å; L627-A632 HydrophobicContact CD2-CB 3.89Å; L627-A632 HydrophobicContact CG-CB 4.31Å; L627-V635 HydrophobicContact CD2-CG2 4.39Å; L627-R735 VanDerWaalsContact O-CZ 3.24Å; L627-R735 PolarHBondContact O-NE 3.42Å; L627-R735 PolarHBondContact O-NH2 3.08Å |
| 628 | D | 89.3 | Confident | 90 | Very high | 27 Ų | 27 | 36.3 Ų | 36.3 | 14% | 0.144 | 21% | 0.21 | C | C | . | . | trans | -53.9 | 148.7 | 170.2 | 164.3 | 61 | 0 | 0 | 0 | 111.8 | G630 L631 A632 | D628-G630 VanDerWaalsContact C-N 3.34Å; D628-G630 PolarHBondContact O-N 3.46Å; D628-G630 WeakPolarHBondContact OD2-CA 3.46Å; D628-G630 PolarHBondContact OD2-N 3.24Å; D628-L631 HydrophobicContact CB-CB 4.14Å; D628-L631 HydrophobicContact CB-CD1 4.01Å; D628-L631 HydrophobicContact CB-CG 4.03Å; D628-L631 PolarHBondContact O-N 2.68Å; D628-L631 PolarHBondContact OD2-N 3.1Å; D628-A632 WeakPolarHBondContact O-CB 3.32Å; D628-A632 PolarHBondContact O-N 2.7Å | ||
| 629 | V | 88.7 | Confident | 90 | Very high | 9 Ų | 9 | 36.1 Ų | 36.1 | 6% | 0.055 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.8 | -30.6 | -177.3 | -63.5 | 0 | 0 | 0 | 0 | 113 | A633 Y739 Y775 P776 | V629-A633 WeakPolarHBondContact O-CB 3.36Å; V629-A633 PolarHBondContact O-N 3.34Å; V629-Y739 HydrophobicContact CB-CD1 3.96Å; V629-Y739 HydrophobicContact CB-CD2 4.24Å; V629-Y739 HydrophobicContact CB-CE1 4.47Å; V629-Y739 HydrophobicContact CB-CG 3.81Å; V629-Y739 HydrophobicContact CG1-CD1 4.48Å; V629-Y739 HydrophobicContact CG1-CD2 3.93Å; V629-Y739 HydrophobicContact CG1-CG 3.83Å; V629-Y739 HydrophobicContact CG2-CD1 3.84Å; V629-Y739 HydrophobicContact CG2-CD2 4.1Å; V629-Y739 HydrophobicContact CG2-CE1 3.84Å; V629-Y739 HydrophobicContact CG2-CE2 4.12Å; V629-Y739 HydrophobicContact CG2-CG 3.95Å; V629-Y775 HydrophobicContact CG1-CD1 3.7Å; V629-Y775 HydrophobicContact CG1-CE1 3.85Å; V629-P776 HydrophobicContact CG2-CG 4Å |
| 630 | G | 87.4 | Confident | 90.1 | Very high | 32 Ų | 32 | 35.2 Ų | 35.2 | 33% | 0.33 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -73.2 | -42.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D628 A633 M634 | D628-G630 VanDerWaalsContact C-N 3.34Å; D628-G630 PolarHBondContact O-N 3.46Å; D628-G630 WeakPolarHBondContact OD2-CA 3.46Å; D628-G630 PolarHBondContact OD2-N 3.24Å; G630-A633 PolarHBondContact O-N 3.27Å; G630-M634 PolarHBondContact O-N 3.29Å |
| 631 | L | 91.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.6 | -51.3 | 169.7 | -70.4 | 178.8 | 0 | 0 | 0 | 110.8 | E452 V455 A589 L592 M620 L627 D628 A633 M634 V635 | E452-L631 WeakPolarHBondContact O-CD1 3.09Å; V455-L631 HydrophobicContact CG2-CD2 3.66Å; A589-L631 HydrophobicContact CB-CD2 3.8Å; A589-L631 HydrophobicContact CB-CG 4.44Å; L592-L631 HydrophobicContact CD1-CD2 4.48Å; M620-L631 HydrophobicContact CE-CB 4.18Å; M620-L631 HydrophobicContact CE-CD1 4.21Å; M620-L631 HydrophobicContact CE-CD2 3.86Å; M620-L631 HydrophobicContact CE-CG 4.33Å; L627-L631 HydrophobicContact CD1-CB 3.71Å; L627-L631 HydrophobicContact CD1-CD1 3.78Å; L627-L631 HydrophobicContact CD1-CG 4.39Å; L627-L631 HydrophobicContact CD2-CB 4.41Å; L627-L631 HydrophobicContact CG-CB 3.85Å; D628-L631 HydrophobicContact CB-CB 4.14Å; D628-L631 HydrophobicContact CB-CD1 4.01Å; D628-L631 HydrophobicContact CB-CG 4.03Å; D628-L631 PolarHBondContact O-N 2.68Å; D628-L631 PolarHBondContact OD2-N 3.1Å; L631-A633 PolarHBondContact O-N 2.91Å; L631-M634 PolarHBondContact O-N 2.82Å; L631-M634 VanDerWaalsContact O-N 3.14Å; L631-V635 WeakPolarHBondContact O-CB 3.46Å; L631-V635 VanDerWaalsContact O-CG2 3.31Å; L631-V635 WeakPolarHBondContact O-CG2 3.21Å; L631-V635 PolarHBondContact O-N 3.27Å |
| 632 | A | 92.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.1 | -43.1 | -180 | 0 | 0 | 0 | 0 | 0 | 112.8 | L627 D628 M634 V635 C636 V732 R735 | L627-A632 HydrophobicContact CD2-CB 3.89Å; L627-A632 HydrophobicContact CG-CB 4.31Å; D628-A632 WeakPolarHBondContact O-CB 3.32Å; D628-A632 PolarHBondContact O-N 2.7Å; A632-M634 VanDerWaalsContact C-N 3.32Å; A632-M634 PolarHBondContact O-N 2.92Å; A632-V635 PolarHBondContact O-N 2.77Å; A632-C636 WeakPolarHBondContact O-CB 3.13Å; A632-C636 PolarHBondContact O-N 3.46Å; A632-V732 HydrophobicContact CB-CG1 4.14Å; A632-V732 WeakPolarHBondContact O-CG1 3.45Å; A632-R735 HydrophobicContact CB-CB 4.17Å; A632-R735 HydrophobicContact CB-CG 3.61Å |
| 633 | A | 91.5 | Very high | 90.3 | Very high | 53 Ų | 53 | 36.4 Ų | 36.4 | 44% | 0.438 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.2 | -39.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V629 G630 L631 A736 | V629-A633 WeakPolarHBondContact O-CB 3.36Å; V629-A633 PolarHBondContact O-N 3.34Å; G630-A633 PolarHBondContact O-N 3.27Å; L631-A633 PolarHBondContact O-N 2.91Å; A633-A736 HydrophobicContact CB-CB 4.36Å |
| 634 | M | 93.1 | Very high | 90.5 | Very high | 42 Ų | 42 | 38.7 Ų | 38.7 | 21% | 0.207 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -77.1 | -42 | 176.9 | -165.8 | 71.2 | 73.9 | 0 | 0 | 112.7 | A589 L592 P593 G630 L631 A632 C636 K637 E638 | A589-M634 WeakPolarHBondContact O-CG 3.48Å; L592-M634 HydrophobicContact CB-CG 3.98Å; L592-M634 HydrophobicContact CD1-CB 3.92Å; L592-M634 HydrophobicContact CD1-CG 3.88Å; P593-M634 HydrophobicContact CG-CE 4.47Å; P593-M634 HydrophobicContact CG-SD 4.21Å; G630-M634 PolarHBondContact O-N 3.29Å; L631-M634 PolarHBondContact O-N 2.82Å; L631-M634 VanDerWaalsContact O-N 3.14Å; A632-M634 VanDerWaalsContact C-N 3.32Å; A632-M634 PolarHBondContact O-N 2.92Å; M634-C636 VanDerWaalsContact C-N 3.3Å; M634-C636 PolarHBondContact O-N 2.85Å; M634-K637 WeakPolarHBondContact O-CB 3.32Å; M634-K637 PolarHBondContact O-N 2.79Å; M634-K637 HydrophobicContact SD-CD 4.07Å; M634-E638 HydrophobicContact CG-CG 4.13Å; M634-E638 PolarHBondContact O-N 3.23Å; M634-E638 HydrophobicContact SD-CG 4.46Å |
| 635 | V | 94.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.7 | -43.4 | 175.6 | 170.6 | 0 | 0 | 0 | 0 | 110.2 | L592 I617 M620 A621 L627 L631 A632 K637 E638 L639 V732 | L592-V635 HydrophobicContact CD1-CG2 3.93Å; I617-V635 HydrophobicContact CG2-CG1 4.34Å; M620-V635 HydrophobicContact CB-CG2 4.14Å; M620-V635 HydrophobicContact CE-CG2 3.59Å; M620-V635 HydrophobicContact SD-CG2 3.93Å; A621-V635 HydrophobicContact CB-CG1 4.33Å; L627-V635 HydrophobicContact CD2-CG2 4.39Å; L631-V635 WeakPolarHBondContact O-CB 3.46Å; L631-V635 VanDerWaalsContact O-CG2 3.31Å; L631-V635 WeakPolarHBondContact O-CG2 3.21Å; L631-V635 PolarHBondContact O-N 3.27Å; A632-V635 PolarHBondContact O-N 2.77Å; V635-K637 PolarHBondContact O-N 2.98Å; V635-E638 PolarHBondContact O-N 3.08Å; V635-L639 WeakPolarHBondContact O-CB 3.28Å; V635-L639 PolarHBondContact O-N 3.22Å; V635-V732 HydrophobicContact CB-CG1 4Å; V635-V732 HydrophobicContact CG1-CG1 3.88Å; V635-V732 HydrophobicContact CG1-CG2 4.1Å |
| 636 | C | 92.5 | Very high | 91.4 | Very high | 25 Ų | 25 | 32.8 Ų | 32.8 | 17% | 0.169 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.7 | -38.7 | 175.5 | -174.4 | 0 | 0 | 0 | 0 | 112.6 | A632 M634 T640 V732 | A632-C636 WeakPolarHBondContact O-CB 3.13Å; A632-C636 PolarHBondContact O-N 3.46Å; M634-C636 VanDerWaalsContact C-N 3.3Å; M634-C636 PolarHBondContact O-N 2.85Å; C636-T640 PolarHBondContact O-N 3.02Å; C636-T640 PolarHBondContact O-OG1 2.74Å; C636-V732 HydrophobicContact CB-CG1 4.02Å |
| 637 | K | 93 | Very high | 92.1 | Very high | 116 Ų | 116 | 32.9 Ų | 32.9 | 50% | 0.504 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -74.6 | -48.6 | 179.8 | 178.6 | -168.9 | 169.3 | -159.6 | 0 | 112 | M634 V635 T640 L641 | M634-K637 WeakPolarHBondContact O-CB 3.32Å; M634-K637 PolarHBondContact O-N 2.79Å; M634-K637 HydrophobicContact SD-CD 4.07Å; V635-K637 PolarHBondContact O-N 2.98Å; K637-T640 WeakPolarHBondContact O-CB 3.44Å; K637-T640 PolarHBondContact O-N 3.37Å; K637-L641 PolarHBondContact O-N 3.16Å |
| 638 | E | 94.6 | Very high | 92.5 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.009 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71.6 | -39.7 | -176.7 | -68.6 | -63.8 | 115 | 0 | 0 | 111.9 | L592 P593 R596 I617 M634 V635 T640 L641 M642 | L592-E638 HydrophobicContact CB-CG 4.39Å; P593-E638 WeakPolarHBondContact CA-OE2 3.42Å; R596-E638 IonicContact CZ-OE2 3.87Å; R596-E638 IonicContact NE-OE2 2.74Å; R596-E638 PolarHBondContact NE-OE2 3.4Å; R596-E638 VanDerWaalsContact NH2-CD 3.32Å; R596-E638 IonicContact NH2-OE1 2.79Å; R596-E638 PolarHBondContact NH2-OE1 2.8Å; R596-E638 VanDerWaalsContact NH2-OE1 3.16Å; R596-E638 IonicContact NH2-OE2 3.2Å; R596-E638 PolarHBondContact NH2-OE2 3.08Å; I617-E638 HydrophobicContact CD1-CB 4.08Å; M634-E638 HydrophobicContact CG-CG 4.13Å; M634-E638 PolarHBondContact O-N 3.23Å; M634-E638 HydrophobicContact SD-CG 4.46Å; V635-E638 PolarHBondContact O-N 3.08Å; E638-T640 VanDerWaalsContact C-N 3.31Å; E638-T640 PolarHBondContact O-N 3.14Å; E638-L641 PolarHBondContact O-N 3.3Å; E638-M642 WeakPolarHBondContact O-CG 3.34Å; E638-M642 PolarHBondContact O-N 3.47Å |
| 639 | L | 92.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60 | -40.1 | 172.4 | -177.8 | 57.9 | 0 | 0 | 0 | 111.3 | I617 F618 A621 V635 L641 M642 T643 L728 L729 | I617-L639 HydrophobicContact CG2-CB 4.12Å; I617-L639 HydrophobicContact CG2-CD1 4.21Å; F618-L639 HydrophobicContact CD2-CD1 3.89Å; F618-L639 HydrophobicContact CE1-CD1 4.26Å; F618-L639 HydrophobicContact CE2-CD1 3.18Å; F618-L639 HydrophobicContact CZ-CD1 3.42Å; F618-L639 VanDerWaalsContact CZ-CD1 3.42Å; A621-L639 HydrophobicContact CB-CD2 3.86Å; V635-L639 WeakPolarHBondContact O-CB 3.28Å; V635-L639 PolarHBondContact O-N 3.22Å; L639-L641 PolarHBondContact O-N 3.4Å; L639-M642 PolarHBondContact O-N 3.5Å; L639-T643 HydrophobicContact CD1-CG2 4.14Å; L639-T643 HydrophobicContact CG-CG2 4.42Å; L639-T643 WeakPolarHBondContact O-CG2 3.48Å; L639-T643 PolarHBondContact O-N 3.1Å; L639-T643 PolarHBondContact O-OG1 3.46Å; L639-L728 HydrophobicContact CD2-CB 4.48Å; L639-L729 HydrophobicContact CB-CD2 3.93Å; L639-L729 HydrophobicContact CD2-CD2 3.76Å; L639-L729 HydrophobicContact CD2-CG 3.83Å; L639-L729 HydrophobicContact CG-CD2 3.64Å; L639-L729 HydrophobicContact CG-CG 3.88Å |
| 640 | T | 92.2 | Very high | 93.2 | Very high | 49 Ų | 49 | 38 Ų | 38 | 30% | 0.301 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -57.3 | -52.6 | 175.3 | -60.1 | 0 | 0 | 0 | 0 | 110.5 | C636 K637 E638 M642 T643 E644 | C636-T640 PolarHBondContact O-N 3.02Å; C636-T640 PolarHBondContact O-OG1 2.74Å; K637-T640 WeakPolarHBondContact O-CB 3.44Å; K637-T640 PolarHBondContact O-N 3.37Å; E638-T640 VanDerWaalsContact C-N 3.31Å; E638-T640 PolarHBondContact O-N 3.14Å; T640-M642 VanDerWaalsContact C-N 3.28Å; T640-M642 PolarHBondContact O-N 3.5Å; T640-T643 PolarHBondContact O-N 3.5Å; T640-T643 VanDerWaalsContact O-N 3.13Å; T640-T643 PolarHBondContact O-OG1 3.14Å; T640-E644 WeakPolarHBondContact O-CG 3.43Å; T640-E644 PolarHBondContact O-N 3.02Å |
| 641 | L | 93.9 | Very high | 93.5 | Very high | 67 Ų | 67 | 41.7 Ų | 41.7 | 35% | 0.351 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.2 | -35.9 | 178.5 | -67.1 | 173.4 | 0 | 0 | 0 | 112.9 | K637 E638 L639 E645 | K637-L641 PolarHBondContact O-N 3.16Å; E638-L641 PolarHBondContact O-N 3.3Å; L639-L641 PolarHBondContact O-N 3.4Å; L641-E645 WeakPolarHBondContact O-CB 3.44Å; L641-E645 PolarHBondContact O-N 3.39Å |
| 642 | M | 92.3 | Very high | 93.7 | Very high | 15 Ų | 15 | 43.6 Ų | 43.6 | 7% | 0.074 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.5 | -42.2 | 175 | -71.6 | 165.7 | 58.8 | 0 | 0 | 112.2 | E614 I617 F618 E638 L639 T640 E644 E645 E646 L685 | E614-M642 HydrophobicContact CB-CE 3.81Å; E614-M642 HydrophobicContact CG-CE 4.07Å; I617-M642 HydrophobicContact CB-CE 4.27Å; I617-M642 HydrophobicContact CB-SD 4.2Å; I617-M642 HydrophobicContact CD1-CE 4.5Å; I617-M642 HydrophobicContact CD1-SD 3.52Å; I617-M642 VanDerWaalsContact CD1-SD 3.52Å; I617-M642 HydrophobicContact CG1-SD 4.44Å; I617-M642 HydrophobicContact CG2-CE 4.16Å; I617-M642 HydrophobicContact CG2-SD 3.89Å; F618-M642 HydrophobicContact CD2-CE 4.1Å; F618-M642 HydrophobicContact CE2-CE 3.85Å; E638-M642 WeakPolarHBondContact O-CG 3.34Å; E638-M642 PolarHBondContact O-N 3.47Å; L639-M642 PolarHBondContact O-N 3.5Å; T640-M642 VanDerWaalsContact C-N 3.28Å; T640-M642 PolarHBondContact O-N 3.5Å; M642-E644 VanDerWaalsContact C-N 3.35Å; M642-E644 PolarHBondContact O-N 3.34Å; M642-E645 PolarHBondContact O-N 3.46Å; M642-E646 WeakPolarHBondContact O-CB 3.37Å; M642-E646 PolarHBondContact O-N 3.15Å; M642-L685 HydrophobicContact CE-CD1 4.13Å |
| 643 | T | 91.5 | Very high | 93.9 | Very high | 18 Ų | 18 | 43.6 Ų | 43.6 | 11% | 0.11 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.6 | -35 | 178.4 | 58.5 | 0 | 0 | 0 | 0 | 112.7 | L639 T640 T647 L725 L729 | L639-T643 HydrophobicContact CD1-CG2 4.14Å; L639-T643 HydrophobicContact CG-CG2 4.42Å; L639-T643 WeakPolarHBondContact O-CG2 3.48Å; L639-T643 PolarHBondContact O-N 3.1Å; L639-T643 PolarHBondContact O-OG1 3.46Å; T640-T643 PolarHBondContact O-N 3.5Å; T640-T643 VanDerWaalsContact O-N 3.13Å; T640-T643 PolarHBondContact O-OG1 3.14Å; T643-T647 VanDerWaalsContact O-CB 3.31Å; T643-T647 WeakPolarHBondContact O-CB 3.48Å; T643-T647 PolarHBondContact O-N 3.33Å; T643-T647 VanDerWaalsContact O-N 3.08Å; T643-T647 PolarHBondContact O-OG1 2.69Å; T643-L725 HydrophobicContact CG2-CB 3.92Å; T643-L725 HydrophobicContact CG2-CD1 4.08Å; T643-L725 HydrophobicContact CG2-CG 4.43Å; T643-L729 HydrophobicContact CG2-CD1 4.01Å |
| 644 | E | 92.5 | Very high | 94 | Very high | 124 Ų | 124 | 45.2 Ų | 45.2 | 58% | 0.579 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -64.9 | -48.1 | 173.5 | -70 | 176.2 | 169.7 | 0 | 0 | 111.6 | T640 M642 R648 | T640-E644 WeakPolarHBondContact O-CG 3.43Å; T640-E644 PolarHBondContact O-N 3.02Å; M642-E644 VanDerWaalsContact C-N 3.35Å; M642-E644 PolarHBondContact O-N 3.34Å; E644-R648 WeakPolarHBondContact O-CB 3.43Å; E644-R648 PolarHBondContact O-N 3.41Å; E644-R648 VanDerWaalsContact O-N 3.13Å |
| 645 | E | 94.4 | Very high | 94 | Very high | 59 Ų | 59 | 50.7 Ų | 50.7 | 28% | 0.276 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67.7 | -43.2 | 179.8 | 175.4 | 66.2 | 170.7 | 0 | 0 | 112.5 | L641 M642 R648 L649 Y701 | L641-E645 WeakPolarHBondContact O-CB 3.44Å; L641-E645 PolarHBondContact O-N 3.39Å; M642-E645 PolarHBondContact O-N 3.46Å; E645-R648 WeakPolarHBondContact O-CB 3.22Å; E645-R648 PolarHBondContact O-N 3.3Å; E645-R648 IonicContact OE1-CZ 3.29Å; E645-R648 IonicContact OE1-NH2 3.27Å; E645-R648 PolarHBondContact OE1-NH2 3.45Å; E645-R648 IonicContact OE2-CZ 2.68Å; E645-R648 IonicContact OE2-NE 2.92Å; E645-R648 PolarHBondContact OE2-NE 3.4Å; E645-R648 IonicContact OE2-NH2 3.35Å; E645-R648 PolarHBondContact OE2-NH2 3.08Å; E645-L649 HydrophobicContact CG-CD1 4.11Å; E645-L649 VanDerWaalsContact O-CG 3.28Å; E645-L649 WeakPolarHBondContact O-CG 3.49Å; E645-L649 PolarHBondContact O-N 3.4Å; E645-Y701 WeakPolarHBondContact CG-OH 3.42Å; E645-Y701 VanDerWaalsContact OE1-CE1 3.31Å; E645-Y701 WeakPolarHBondContact OE1-CE1 3.37Å; E645-Y701 VanDerWaalsContact OE1-CZ 3.31Å; E645-Y701 PolarHBondContact OE1-OH 2.74Å |
| 646 | E | 94.9 | Very high | 94 | Very high | 8 Ų | 8 | 54.6 Ų | 54.6 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.3 | -40.2 | 177.5 | 173.6 | 63.7 | 170.5 | 0 | 0 | 111.7 | M642 R648 L649 R650 L685 S686 | M642-E646 WeakPolarHBondContact O-CB 3.37Å; M642-E646 PolarHBondContact O-N 3.15Å; E646-R648 PolarHBondContact O-N 3.42Å; E646-L649 PolarHBondContact O-N 3.15Å; E646-R650 WeakPolarHBondContact O-CG 3.32Å; E646-R650 PolarHBondContact O-N 3.13Å; E646-R650 IonicContact OE1-CZ 2.81Å; E646-R650 IonicContact OE1-NE 3.81Å; E646-R650 PolarHBondContact OE1-NE 2.63Å; E646-R650 IonicContact OE1-NH2 2.79Å; E646-R650 PolarHBondContact OE1-NH2 3.4Å; E646-L685 HydrophobicContact CB-CD1 4.2Å; E646-L685 HydrophobicContact CG-CB 4.22Å; E646-L685 HydrophobicContact CG-CD1 4.25Å; E646-L685 WeakPolarHBondContact OE1-CB 3.17Å; E646-S686 VanDerWaalsContact CD-OG 3.27Å; E646-S686 WeakPolarHBondContact OE1-CB 3.48Å; E646-S686 PolarHBondContact OE1-OG 2.68Å; E646-S686 PolarHBondContact OE2-OG 3.27Å; E646-S686 VanDerWaalsContact OE2-OG 3.07Å |
| 647 | T | 94 | Very high | 94.1 | Very high | 42 Ų | 42 | 54.2 Ų | 54.2 | 26% | 0.258 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.4 | -48.9 | 173.5 | -59.5 | 0 | 0 | 0 | 0 | 110.4 | T643 L649 R650 E651 L722 | T643-T647 VanDerWaalsContact O-CB 3.31Å; T643-T647 WeakPolarHBondContact O-CB 3.48Å; T643-T647 PolarHBondContact O-N 3.33Å; T643-T647 VanDerWaalsContact O-N 3.08Å; T643-T647 PolarHBondContact O-OG1 2.69Å; T647-L649 VanDerWaalsContact C-N 3.3Å; T647-L649 PolarHBondContact O-N 2.9Å; T647-R650 PolarHBondContact O-N 3.34Å; T647-E651 WeakPolarHBondContact O-CG 3.42Å; T647-E651 PolarHBondContact O-N 3.24Å; T647-L722 HydrophobicContact CG2-CD1 4.3Å |
| 648 | R | 96.3 | Very high | 94.1 | Very high | 117 Ų | 117 | 49 Ų | 49 | 44% | 0.442 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60 | -37.3 | 177.6 | -169.7 | -163.2 | 63.7 | 66.2 | -0.7 | 112.6 | E644 E645 E646 S652 | E644-R648 WeakPolarHBondContact O-CB 3.43Å; E644-R648 PolarHBondContact O-N 3.41Å; E644-R648 VanDerWaalsContact O-N 3.13Å; E645-R648 WeakPolarHBondContact O-CB 3.22Å; E645-R648 PolarHBondContact O-N 3.3Å; E645-R648 IonicContact OE1-CZ 3.29Å; E645-R648 IonicContact OE1-NH2 3.27Å; E645-R648 PolarHBondContact OE1-NH2 3.45Å; E645-R648 IonicContact OE2-CZ 2.68Å; E645-R648 IonicContact OE2-NE 2.92Å; E645-R648 PolarHBondContact OE2-NE 3.4Å; E645-R648 IonicContact OE2-NH2 3.35Å; E645-R648 PolarHBondContact OE2-NH2 3.08Å; E646-R648 PolarHBondContact O-N 3.42Å; R648-S652 WeakPolarHBondContact O-CB 3.37Å; R648-S652 PolarHBondContact O-N 3.01Å; R648-S652 VanDerWaalsContact O-N 3.12Å |
| 649 | L | 96.3 | Very high | 93.9 | Very high | 13 Ų | 13 | 54.1 Ų | 54.1 | 7% | 0.068 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.6 | -44.7 | 176.9 | -72.9 | 169 | 0 | 0 | 0 | 112.1 | E645 E646 T647 S652 V653 L700 Y701 | E645-L649 HydrophobicContact CG-CD1 4.11Å; E645-L649 VanDerWaalsContact O-CG 3.28Å; E645-L649 WeakPolarHBondContact O-CG 3.49Å; E645-L649 PolarHBondContact O-N 3.4Å; E646-L649 PolarHBondContact O-N 3.15Å; T647-L649 VanDerWaalsContact C-N 3.3Å; T647-L649 PolarHBondContact O-N 2.9Å; L649-S652 WeakPolarHBondContact O-CB 3.44Å; L649-S652 PolarHBondContact O-N 2.63Å; L649-V653 PolarHBondContact O-N 3.15Å; L649-V653 VanDerWaalsContact O-N 3.1Å; L649-L700 HydrophobicContact CB-CB 3.95Å; L649-L700 HydrophobicContact CB-CD1 3.94Å; L649-L700 HydrophobicContact CD2-CB 4.31Å; L649-L700 HydrophobicContact CG-CB 4.49Å; L649-Y701 HydrophobicContact CD1-CD2 4.37Å; L649-Y701 HydrophobicContact CD1-CE1 4.25Å; L649-Y701 HydrophobicContact CD1-CE2 3.74Å; L649-Y701 HydrophobicContact CD2-CD1 4.1Å; L649-Y701 HydrophobicContact CD2-CE1 3.98Å; L649-Y701 HydrophobicContact CD2-CG 4.45Å |
| 650 | R | 95.4 | Very high | 93.9 | Very high | 16 Ų | 16 | 59.2 Ų | 59.2 | 6% | 0.06 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 176.4 | -70.2 | -173.8 | -168.2 | -175 | 9.3 | 112.2 | E646 T647 S652 V653 V654 L685 L700 L716 Y720 | E646-R650 WeakPolarHBondContact O-CG 3.32Å; E646-R650 PolarHBondContact O-N 3.13Å; E646-R650 IonicContact OE1-CZ 2.81Å; E646-R650 IonicContact OE1-NE 3.81Å; E646-R650 PolarHBondContact OE1-NE 2.63Å; E646-R650 IonicContact OE1-NH2 2.79Å; E646-R650 PolarHBondContact OE1-NH2 3.4Å; T647-R650 PolarHBondContact O-N 3.34Å; R650-S652 VanDerWaalsContact C-N 3.28Å; R650-S652 PolarHBondContact O-N 2.86Å; R650-V653 WeakPolarHBondContact O-CG2 3.47Å; R650-V653 PolarHBondContact O-N 2.87Å; R650-V654 WeakPolarHBondContact O-CG2 3.34Å; R650-V654 PolarHBondContact O-N 3.03Å; R650-V654 VanDerWaalsContact O-N 3.07Å; R650-L685 PolarHBondContact NH2-O 2.78Å; R650-L685 VanDerWaalsContact NH2-O 3.17Å; R650-L700 HydrophobicContact CG-CD1 3.91Å; R650-L716 HydrophobicContact CG-CD2 4.35Å; R650-Y720 PolarHBondContact NH1-O 2.91Å; R650-Y720 PolarHBondContact NH2-O 2.91Å |
| 651 | E | 95.1 | Very high | 94 | Very high | 108 Ų | 108 | 60.7 Ų | 60.7 | 51% | 0.505 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57 | -42.7 | 173.5 | -74 | -176.8 | 167.5 | 0 | 0 | 111.8 | T647 V654 Q655 | T647-E651 WeakPolarHBondContact O-CG 3.42Å; T647-E651 PolarHBondContact O-N 3.24Å; E651-V654 PolarHBondContact O-N 3.28Å; E651-Q655 WeakPolarHBondContact O-CB 3.39Å; E651-Q655 VanDerWaalsContact O-CG 3.24Å; E651-Q655 WeakPolarHBondContact O-CG 3.4Å; E651-Q655 PolarHBondContact O-N 3.43Å |
| 652 | S | 95.8 | Very high | 94 | Very high | 41 Ų | 41 | 61.7 Ų | 61.7 | 29% | 0.287 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.4 | -45.8 | 178.5 | -176.1 | 0 | 0 | 0 | 0 | 112.7 | R648 L649 R650 Q655 M656 | R648-S652 WeakPolarHBondContact O-CB 3.37Å; R648-S652 PolarHBondContact O-N 3.01Å; R648-S652 VanDerWaalsContact O-N 3.12Å; L649-S652 WeakPolarHBondContact O-CB 3.44Å; L649-S652 PolarHBondContact O-N 2.63Å; R650-S652 VanDerWaalsContact C-N 3.28Å; R650-S652 PolarHBondContact O-N 2.86Å; S652-Q655 WeakPolarHBondContact O-CB 3.49Å; S652-Q655 PolarHBondContact O-N 3.16Å; S652-M656 WeakPolarHBondContact O-CG 3.32Å; S652-M656 PolarHBondContact O-N 3.25Å |
| 653 | V | 95 | Very high | 94.1 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -73.4 | -29.9 | 179.9 | -61.6 | 0 | 0 | 0 | 0 | 113.2 | L649 R650 M656 G657 V658 L700 P703 L716 | L649-V653 PolarHBondContact O-N 3.15Å; L649-V653 VanDerWaalsContact O-N 3.1Å; R650-V653 WeakPolarHBondContact O-CG2 3.47Å; R650-V653 PolarHBondContact O-N 2.87Å; V653-M656 WeakPolarHBondContact O-CB 3.41Å; V653-M656 PolarHBondContact O-N 3.21Å; V653-G657 PolarHBondContact O-N 2.74Å; V653-V658 HydrophobicContact CB-CG2 4.22Å; V653-V658 WeakPolarHBondContact O-CB 3.32Å; V653-V658 WeakPolarHBondContact O-CG2 3.45Å; V653-V658 PolarHBondContact O-N 3.46Å; V653-L700 HydrophobicContact CG1-CB 4.34Å; V653-L700 HydrophobicContact CG1-CD2 4.2Å; V653-L700 HydrophobicContact CG2-CD1 4.11Å; V653-L700 HydrophobicContact CG2-CD2 4.33Å; V653-P703 HydrophobicContact CG1-CB 3.96Å; V653-P703 HydrophobicContact CG1-CG 4.23Å; V653-L716 HydrophobicContact CG2-CD1 4.41Å |
| 654 | V | 94 | Very high | 94.2 | Very high | 87 Ų | 87 | 67.3 Ų | 67.3 | 53% | 0.527 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 169.1 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | R650 E651 M656 G657 | R650-V654 WeakPolarHBondContact O-CG2 3.34Å; R650-V654 PolarHBondContact O-N 3.03Å; R650-V654 VanDerWaalsContact O-N 3.07Å; E651-V654 PolarHBondContact O-N 3.28Å; V654-M656 VanDerWaalsContact C-N 3.28Å; V654-M656 PolarHBondContact O-N 3.16Å; V654-G657 WeakPolarHBondContact O-CA 3.16Å; V654-G657 PolarHBondContact O-N 2.87Å |
| 655 | Q | 94 | Very high | 94.3 | Very high | 157 Ų | 157 | 64 Ų | 64 | 73% | 0.734 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.1 | -29.7 | 173.5 | -71.6 | 170.1 | 41.6 | 0 | 0 | 113.1 | E651 S652 G657 | E651-Q655 WeakPolarHBondContact O-CB 3.39Å; E651-Q655 VanDerWaalsContact O-CG 3.24Å; E651-Q655 WeakPolarHBondContact O-CG 3.4Å; E651-Q655 PolarHBondContact O-N 3.43Å; S652-Q655 WeakPolarHBondContact O-CB 3.49Å; S652-Q655 PolarHBondContact O-N 3.16Å; Q655-G657 PolarHBondContact O-N 3.33Å |
| 656 | M | 93.5 | Very high | 94.2 | Very high | 82 Ų | 82 | 61.2 Ų | 61.2 | 40% | 0.404 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -10.2 | 169.9 | -70.3 | -171.8 | 178.5 | 0 | 0 | 113.7 | S652 V653 V654 P703 M711 | S652-M656 WeakPolarHBondContact O-CG 3.32Å; S652-M656 PolarHBondContact O-N 3.25Å; V653-M656 WeakPolarHBondContact O-CB 3.41Å; V653-M656 PolarHBondContact O-N 3.21Å; V654-M656 VanDerWaalsContact C-N 3.28Å; V654-M656 PolarHBondContact O-N 3.16Å; M656-P703 HydrophobicContact CE-CG 4.09Å; M656-P703 HydrophobicContact SD-CB 4.23Å; M656-P703 HydrophobicContact SD-CG 3.63Å; M656-M711 HydrophobicContact CB-CG 4.27Å; M656-M711 WeakPolarHBondContact O-CB 3.32Å; M656-M711 WeakPolarHBondContact O-CG 3.39Å |
| 657 | G | 93.6 | Very high | 94 | Very high | 17 Ų | 17 | 63.5 Ų | 63.5 | 18% | 0.175 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 98.4 | 21.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | V653 V654 Q655 M711 Q712 | V653-G657 PolarHBondContact O-N 2.74Å; V654-G657 WeakPolarHBondContact O-CA 3.16Å; V654-G657 PolarHBondContact O-N 2.87Å; Q655-G657 PolarHBondContact O-N 3.33Å; G657-M711 CarbonylContact O-C 3.52Å; G657-Q712 VanDerWaalsContact O-CA 3.31Å; G657-Q712 WeakPolarHBondContact O-CA 3.2Å; G657-Q712 PolarHBondContact O-N 3.49Å |
| 658 | V | 93.6 | Very high | 93.8 | Very high | 7 Ų | 7 | 68.3 Ų | 68.3 | 4% | 0.042 | 36% | 0.355 | C | S | . | . | trans | -71.2 | 124.8 | 167 | 178.9 | 0 | 0 | 0 | 0 | 108.9 | V653 L688 M711 K714 L716 | V653-V658 HydrophobicContact CB-CG2 4.22Å; V653-V658 WeakPolarHBondContact O-CB 3.32Å; V653-V658 WeakPolarHBondContact O-CG2 3.45Å; V653-V658 PolarHBondContact O-N 3.46Å; V658-L688 HydrophobicContact CB-CD1 4.49Å; V658-L688 HydrophobicContact CG1-CD1 3.87Å; V658-L688 HydrophobicContact CG2-CD1 3.79Å; V658-L688 HydrophobicContact CG2-CD2 4.39Å; V658-M711 HydrophobicContact CG2-CB 4.32Å; V658-K714 HydrophobicContact CG2-CB 4.42Å; V658-L716 HydrophobicContact CG1-CB 4.06Å | ||
| 659 | V | 90.2 | Very high | 93.4 | Very high | 109 Ų | 109 | 64.9 Ų | 64.9 | 66% | 0.661 | 35% | 0.347 | S | S | * | . | trans | -121.2 | -15.7 | -174.6 | -62.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 660 | M | 92.9 | Very high | 93.1 | Very high | 108 Ų | 108 | 67.1 Ų | 67.1 | 53% | 0.532 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 137.4 | 173.4 | -67.7 | -178.7 | 64.8 | 0 | 0 | 109.6 | C715 L716 | M660-C715 HydrophobicContact CB-CB 4.16Å; M660-C715 WeakPolarHBondContact O-CA 3.43Å; M660-L716 PolarHBondContact O-N 3.46Å |
| 661 | S | 93.9 | Very high | 92.7 | Very high | 79 Ų | 79 | 68.6 Ų | 68.6 | 55% | 0.552 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 139.4 | 173.8 | 59.8 | 0 | 0 | 0 | 0 | 110.3 | L716 | S661-L716 CarbonylContact C-O 3.09Å; S661-L716 WeakPolarHBondContact CA-O 3.44Å |
| 662 | E | 94.1 | Very high | 92.3 | Very high | 89 Ų | 89 | 69.2 Ų | 69.2 | 42% | 0.416 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 141.1 | -176.8 | -162.4 | 174.5 | 127.5 | 0 | 0 | 109.2 | L716 R717 Y718 | E662-L716 PolarHBondContact N-O 3.2Å; E662-R717 VanDerWaalsContact CD-CZ 3.43Å; E662-R717 WeakPolarHBondContact O-CA 3.45Å; E662-R717 IonicContact OE1-CZ 3.68Å; E662-R717 IonicContact OE1-NH1 3.78Å; E662-R717 PolarHBondContact OE1-NH1 3.09Å; E662-R717 IonicContact OE1-NH2 2.74Å; E662-R717 PolarHBondContact OE1-NH2 3.44Å; E662-R717 IonicContact OE2-CZ 2.73Å; E662-R717 IonicContact OE2-NH2 3.6Å; E662-R717 PolarHBondContact OE2-NH2 2.96Å; E662-Y718 WeakPolarHBondContact O-CD1 3.12Å; E662-Y718 PolarHBondContact O-N 3.1Å; E662-Y718 VanDerWaalsContact O-N 3.07Å |
| 663 | E | 95.4 | Very high | 92 | Very high | 108 Ų | 108 | 73.4 Ų | 73.4 | 51% | 0.505 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 136.6 | 178.3 | -168 | 178.6 | 136.9 | 0 | 0 | 110.3 | Y718 | E663-Y718 CarbonylContact C-O 3.55Å; E663-Y718 VanDerWaalsContact CA-O 3.32Å; E663-Y718 WeakPolarHBondContact CA-O 3.44Å; E663-Y718 HydrophobicContact CB-CE2 4.02Å; E663-Y718 HydrophobicContact CG-CD2 4.5Å; E663-Y718 HydrophobicContact CG-CE2 4.05Å |
| 664 | E | 93.5 | Very high | 91.9 | Very high | 42 Ų | 42 | 73.9 Ų | 73.9 | 20% | 0.196 | 40% | 0.395 | C | S | . | . | trans | -139.5 | 128.4 | -176.2 | -172.4 | 152.7 | -99.3 | 0 | 0 | 111 | F666 R717 Y718 R719 | E664-F666 VanDerWaalsContact C-N 3.32Å; E664-F666 HydrophobicContact CB-CD2 4.18Å; E664-F666 HydrophobicContact CB-CE2 3.83Å; E664-F666 HydrophobicContact CB-CZ 4.23Å; E664-F666 HydrophobicContact CG-CD2 4.32Å; E664-F666 HydrophobicContact CG-CE2 4.21Å; E664-F666 HydrophobicContact CG-CZ 4.32Å; E664-F666 WeakPolarHBondContact O-CD2 3.48Å; E664-F666 PolarHBondContact O-N 3.03Å; E664-F666 VanDerWaalsContact O-N 3.13Å; E664-R717 HydrophobicContact CB-CB 4.23Å; E664-R717 IonicContact OE1-CZ 2.76Å; E664-R717 IonicContact OE1-NE 3.1Å; E664-R717 IonicContact OE1-NH1 2.74Å; E664-R717 PolarHBondContact OE1-NH1 2.89Å; E664-R717 VanDerWaalsContact OE2-CB 3.25Å; E664-R717 WeakPolarHBondContact OE2-CB 3.24Å; E664-R717 WeakPolarHBondContact OE2-CD 3.12Å; E664-R717 WeakPolarHBondContact OE2-CG 3.43Å; E664-Y718 PolarHBondContact N-O 2.86Å; E664-R719 WeakPolarHBondContact O-CD 3.37Å | ||
| 665 | V | 94.2 | Very high | 91.9 | Very high | 55 Ų | 55 | 70.9 Ų | 70.9 | 33% | 0.333 | 38% | 0.375 | S | S | . | . | trans | -89.8 | 73 | -178.3 | -171.1 | 0 | 0 | 0 | 0 | 108.9 | E667 L668 | V665-E667 VanDerWaalsContact CG1-CD 3.43Å; V665-E667 HydrophobicContact CG1-CG 4.06Å; V665-E667 WeakPolarHBondContact CG1-OE2 3.29Å; V665-E667 PolarHBondContact O-N 3.26Å; V665-L668 HydrophobicContact CB-CD1 4.23Å; V665-L668 HydrophobicContact CG1-CB 4.5Å; V665-L668 HydrophobicContact CG1-CD1 3.75Å; V665-L668 HydrophobicContact CG1-CG 3.83Å; V665-L668 PolarHBondContact O-N 2.83Å | ||
| 666 | F | 92.9 | Very high | 92 | Very high | 1 Ų | 1 | 63.4 Ų | 63.4 | 0% | 0.004 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -52.2 | -29.6 | -173.5 | -73 | -91.1 | 0 | 0 | 0 | 114.2 | E664 L668 V669 R674 C683 F684 A687 L697 R717 R719 | E664-F666 VanDerWaalsContact C-N 3.32Å; E664-F666 HydrophobicContact CB-CD2 4.18Å; E664-F666 HydrophobicContact CB-CE2 3.83Å; E664-F666 HydrophobicContact CB-CZ 4.23Å; E664-F666 HydrophobicContact CG-CD2 4.32Å; E664-F666 HydrophobicContact CG-CE2 4.21Å; E664-F666 HydrophobicContact CG-CZ 4.32Å; E664-F666 WeakPolarHBondContact O-CD2 3.48Å; E664-F666 PolarHBondContact O-N 3.03Å; E664-F666 VanDerWaalsContact O-N 3.13Å; F666-L668 PolarHBondContact O-N 3.2Å; F666-V669 PolarHBondContact O-N 3.41Å; F666-R674 VanDerWaalsContact C-NH1 3.29Å; F666-R674 HydrophobicContact CD1-CB 4.29Å; F666-R674 WeakPolarHBondContact O-CD 3.42Å; F666-R674 PolarHBondContact O-NH1 3.44Å; F666-C683 HydrophobicContact CD1-CB 4.42Å; F666-C683 WeakPolarHBondContact CD1-O 3.38Å; F666-C683 HydrophobicContact CE1-CB 4.18Å; F666-F684 HydrophobicContact CB-CD2 4.14Å; F666-F684 WeakPolarHBondContact CD2-O 3.42Å; F666-A687 HydrophobicContact CE1-CB 3.83Å; F666-A687 HydrophobicContact CZ-CB 3.81Å; F666-L697 HydrophobicContact CE1-CD1 4.21Å; F666-R717 HydrophobicContact CE2-CB 4.37Å; F666-R717 HydrophobicContact CZ-CB 3.73Å; F666-R719 HydrophobicContact CD2-CB 4.05Å |
| 667 | E | 89.6 | Confident | 91.9 | Very high | 55 Ų | 55 | 61.1 Ų | 61.1 | 26% | 0.257 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -71.6 | -5.7 | 178.4 | 68.7 | -90.1 | -143 | 0 | 0 | 114.7 | E615 V665 F684 R719 | E615-E667 HydrophobicContact CG-CB 4.34Å; V665-E667 VanDerWaalsContact CG1-CD 3.43Å; V665-E667 HydrophobicContact CG1-CG 4.06Å; V665-E667 WeakPolarHBondContact CG1-OE2 3.29Å; V665-E667 PolarHBondContact O-N 3.26Å; E667-F684 HydrophobicContact CB-CE2 4.45Å; E667-R719 VanDerWaalsContact CD-NE 3.27Å; E667-R719 IonicContact OE1-CZ 2.66Å; E667-R719 VanDerWaalsContact OE1-CZ 3.26Å; E667-R719 IonicContact OE1-NE 3.16Å; E667-R719 PolarHBondContact OE1-NE 3.3Å; E667-R719 IonicContact OE1-NH2 2.7Å; E667-R719 PolarHBondContact OE1-NH2 3.21Å; E667-R719 VanDerWaalsContact OE2-CD 3.29Å; E667-R719 WeakPolarHBondContact OE2-CD 3.3Å; E667-R719 IonicContact OE2-CZ 3.61Å; E667-R719 IonicContact OE2-NE 2.72Å; E667-R719 PolarHBondContact OE2-NE 3.34Å |
| 668 | L | 90.6 | Very high | 91.7 | Very high | 144 Ų | 144 | 61.1 Ų | 61.1 | 75% | 0.754 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -102.4 | -5.7 | 171 | -61.8 | 178 | 0 | 0 | 0 | 113.1 | V665 F666 | V665-L668 HydrophobicContact CB-CD1 4.23Å; V665-L668 HydrophobicContact CG1-CB 4.5Å; V665-L668 HydrophobicContact CG1-CD1 3.75Å; V665-L668 HydrophobicContact CG1-CG 3.83Å; V665-L668 PolarHBondContact O-N 2.83Å; F666-L668 PolarHBondContact O-N 3.2Å |
| 669 | V | 88.8 | Confident | 91.5 | Very high | 45 Ų | 45 | 60.8 Ų | 60.8 | 27% | 0.273 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -93.9 | 138.7 | 179 | -178.1 | 0 | 0 | 0 | 0 | 109.1 | F666 E673 R674 | F666-V669 PolarHBondContact O-N 3.41Å; V669-E673 HydrophobicContact CG1-CB 3.75Å; V669-R674 HydrophobicContact CB-CB 4.32Å; V669-R674 HydrophobicContact CG1-CB 3.95Å; V669-R674 WeakPolarHBondContact O-CD 3.42Å; V669-R674 PolarHBondContact O-NE 3.17Å |
| 670 | P | 88.5 | Confident | 91.5 | Very high | 59 Ų | 59 | 60.8 Ų | 60.8 | 38% | 0.383 | 32% | 0.317 | S | S | . | . | trans | -55.4 | 145.3 | 174.4 | -27.6 | 36.9 | 0 | 0 | 0 | 113.4 | D672 E673 R674 | P670-D672 VanDerWaalsContact CB-OD1 3.26Å; P670-D672 WeakPolarHBondContact CB-OD1 3.38Å; P670-D672 PolarHBondContact O-N 3.27Å; P670-E673 HydrophobicContact CB-CB 4.37Å; P670-E673 HydrophobicContact CB-CG 4.21Å; P670-E673 HydrophobicContact CG-CG 4.37Å; P670-E673 PolarHBondContact O-N 3.23Å; P670-E673 VanDerWaalsContact O-N 3.11Å; P670-R674 WeakPolarHBondContact O-CG 3.41Å; P670-R674 PolarHBondContact O-N 2.8Å | ||
| 671 | D | 87.4 | Confident | 91.5 | Very high | 48 Ų | 48 | 56 Ų | 56 | 26% | 0.257 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -29.7 | -174.7 | -113.8 | 63.9 | 0 | 0 | 0 | 113.5 | R674 Q675 T682 | D671-R674 IonicContact OD1-CZ 2.71Å; D671-R674 VanDerWaalsContact OD1-CZ 3.23Å; D671-R674 IonicContact OD1-NE 2.7Å; D671-R674 PolarHBondContact OD1-NE 3.09Å; D671-R674 IonicContact OD1-NH2 3.69Å; D671-R674 PolarHBondContact OD1-NH2 2.6Å; D671-Q675 VanDerWaalsContact O-CD 3.3Å; D671-Q675 WeakPolarHBondContact O-CG 3.25Å; D671-Q675 PolarHBondContact O-NE2 3.35Å; D671-T682 WeakPolarHBondContact OD2-CB 3.49Å; D671-T682 WeakPolarHBondContact OD2-CG2 3.42Å; D671-T682 PolarHBondContact OD2-OG1 3.11Å |
| 672 | D | 86.4 | Confident | 91.6 | Very high | 121 Ų | 121 | 52.4 Ų | 52.4 | 65% | 0.647 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -32.9 | 175.9 | 54.8 | -40.6 | 0 | 0 | 0 | 113.6 | P670 | P670-D672 VanDerWaalsContact CB-OD1 3.26Å; P670-D672 WeakPolarHBondContact CB-OD1 3.38Å; P670-D672 PolarHBondContact O-N 3.27Å |
| 673 | E | 90.8 | Very high | 91.6 | Very high | 128 Ų | 128 | 48.4 Ų | 48.4 | 60% | 0.598 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -39.5 | 173.6 | -69.3 | 179.5 | -155.6 | 0 | 0 | 111.9 | V669 P670 Q675 | V669-E673 HydrophobicContact CG1-CB 3.75Å; P670-E673 HydrophobicContact CB-CB 4.37Å; P670-E673 HydrophobicContact CB-CG 4.21Å; P670-E673 HydrophobicContact CG-CG 4.37Å; P670-E673 PolarHBondContact O-N 3.23Å; P670-E673 VanDerWaalsContact O-N 3.11Å; E673-Q675 VanDerWaalsContact C-N 3.28Å; E673-Q675 PolarHBondContact O-N 3.08Å |
| 674 | R | 93.1 | Very high | 91.6 | Very high | 10 Ų | 10 | 43.4 Ų | 43.4 | 4% | 0.038 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 15.8 | -179.8 | 73.2 | -164.4 | -178.8 | 138.8 | 3.2 | 115 | E615 F666 V669 P670 D671 T682 C683 | E615-R674 IonicContact OE2-CZ 2.62Å; E615-R674 IonicContact OE2-NH1 3.12Å; E615-R674 PolarHBondContact OE2-NH1 3.33Å; E615-R674 IonicContact OE2-NH2 2.66Å; E615-R674 PolarHBondContact OE2-NH2 3.42Å; F666-R674 VanDerWaalsContact C-NH1 3.29Å; F666-R674 HydrophobicContact CD1-CB 4.29Å; F666-R674 WeakPolarHBondContact O-CD 3.42Å; F666-R674 PolarHBondContact O-NH1 3.44Å; V669-R674 HydrophobicContact CB-CB 4.32Å; V669-R674 HydrophobicContact CG1-CB 3.95Å; V669-R674 WeakPolarHBondContact O-CD 3.42Å; V669-R674 PolarHBondContact O-NE 3.17Å; P670-R674 WeakPolarHBondContact O-CG 3.41Å; P670-R674 PolarHBondContact O-N 2.8Å; D671-R674 IonicContact OD1-CZ 2.71Å; D671-R674 VanDerWaalsContact OD1-CZ 3.23Å; D671-R674 IonicContact OD1-NE 2.7Å; D671-R674 PolarHBondContact OD1-NE 3.09Å; D671-R674 IonicContact OD1-NH2 3.69Å; D671-R674 PolarHBondContact OD1-NH2 2.6Å; R674-T682 HydrophobicContact CG-CG2 3.64Å; R674-T682 VanDerWaalsContact NE-CG2 3.32Å; R674-C683 WeakPolarHBondContact O-CB 3.2Å; R674-C683 PolarHBondContact O-N 3.2Å |
| 675 | Q | 93.4 | Very high | 91.7 | Very high | 24 Ų | 24 | 41.7 Ų | 41.7 | 11% | 0.112 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -85.1 | 138 | 179.5 | -96 | 162.8 | 42.9 | 0 | 0 | 113.7 | H608 D671 E673 S677 | H608-Q675 PolarHBondContact CE1-OE1 3.4Å; H608-Q675 PolarHBondContact ND1-OE1 3.05Å; D671-Q675 VanDerWaalsContact O-CD 3.3Å; D671-Q675 WeakPolarHBondContact O-CG 3.25Å; D671-Q675 PolarHBondContact O-NE2 3.35Å; E673-Q675 VanDerWaalsContact C-N 3.28Å; E673-Q675 PolarHBondContact O-N 3.08Å; Q675-S677 PolarHBondContact O-N 2.7Å |
| 676 | C | 95.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -64.9 | 120.6 | 172.9 | 175.7 | 0 | 0 | 0 | 0 | 112 | A678 C679 R680 T681 C699 | C676-A678 PolarHBondContact O-N 3.39Å; C676-C679 VanDerWaalsContact CB-SG 3.59Å; C676-C679 PolarHBondContact O-N 3.16Å; C676-C679 PolarHBondContact SG-SG 3.09Å; C676-R680 WeakPolarHBondContact O-CA 3.07Å; C676-R680 PolarHBondContact O-N 2.94Å; C676-T681 PolarHBondContact N-O 3.33Å; C676-C699 HydrophobicContact CB-CB 4.06Å; C676-C699 PolarHBondContact SG-N 3.09Å | ||
| 677 | S | 91.6 | Very high | 92 | Very high | 34 Ų | 34 | 39.4 Ų | 39.4 | 24% | 0.238 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -22.5 | 179.9 | -60.9 | 0 | 0 | 0 | 0 | 115.7 | Q675 R696 L697 | Q675-S677 PolarHBondContact O-N 2.7Å; S677-R696 WeakPolarHBondContact OG-CG 3.32Å; S677-R696 PolarHBondContact OG-NE 3.44Å; S677-R696 VanDerWaalsContact OG-NE 3.13Å; S677-L697 WeakPolarHBondContact CB-O 3.35Å; S677-L697 PolarHBondContact N-O 3.26Å; S677-L697 PolarHBondContact OG-O 3.24Å |
| 678 | A | 88.8 | Confident | 92.3 | Very high | 17 Ų | 17 | 36.8 Ų | 36.8 | 14% | 0.14 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -31.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R606 C676 H702 D705 | R606-A678 WeakPolarHBondContact CD-O 3.33Å; R606-A678 PolarHBondContact NE-O 2.85Å; C676-A678 PolarHBondContact O-N 3.39Å; A678-H702 HydrophobicContact CB-CB 3.76Å; A678-D705 HydrophobicContact CB-CB 3.87Å |
| 679 | C | 89.6 | Confident | 92.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -136.4 | 4.8 | -168.6 | 71.1 | 0 | 0 | 0 | 0 | 115.7 | R603 R606 C676 T681 C699 H702 | R603-C679 HydrophobicContact CG-CB 3.93Å; R603-C679 WeakPolarHBondContact O-CB 3.2Å; R606-C679 WeakPolarHBondContact CA-O 3.19Å; C676-C679 VanDerWaalsContact CB-SG 3.59Å; C676-C679 PolarHBondContact O-N 3.16Å; C676-C679 PolarHBondContact SG-SG 3.09Å; C679-T681 PolarHBondContact O-N 3.15Å; C679-T681 PolarHBondContact SG-OG1 3.06Å; C679-C699 VanDerWaalsContact SG-SG 3.6Å; C679-H702 VanDerWaalsContact CB-CE1 3.44Å; C679-H702 WeakPolarHBondContact CB-CE1 3.25Å; C679-H702 VanDerWaalsContact SG-CE1 3.52Å; C679-H702 PolarHBondContact SG-ND1 3.1Å |
| 680 | R | 91 | Very high | 92.8 | Very high | 110 Ų | 110 | 28.9 Ų | 28.9 | 42% | 0.415 | 15% | 0.151 | S | C | . | . | trans | 56.4 | 14 | 175.8 | -53.8 | -56.3 | -168.6 | 174.1 | 2.3 | 116.6 | R606 C676 | R606-R680 WeakPolarHBondContact O-CB 3.21Å; R606-R680 VanDerWaalsContact O-CG 3.31Å; R606-R680 WeakPolarHBondContact O-CG 3.23Å; C676-R680 WeakPolarHBondContact O-CA 3.07Å; C676-R680 PolarHBondContact O-N 2.94Å | ||
| 681 | T | 93.4 | Very high | 92.9 | Very high | 7 Ų | 7 | 31.2 Ų | 31.2 | 4% | 0.043 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -71.3 | 126.5 | 169.6 | -45.5 | 0 | 0 | 0 | 0 | 110 | V599 C676 C679 C683 | V599-T681 HydrophobicContact CG1-CG2 3.88Å; C676-T681 PolarHBondContact N-O 3.33Å; C679-T681 PolarHBondContact O-N 3.15Å; C679-T681 PolarHBondContact SG-OG1 3.06Å; T681-C683 PolarHBondContact O-N 3.15Å |
| 682 | T | 94.3 | Very high | 93.1 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 3% | 0.025 | 18% | 0.179 | C | C | . | . | B | Isolated β-bridge | trans | -60.1 | 123.5 | 167 | -51.1 | 0 | 0 | 0 | 0 | 109.2 | D671 R674 | D671-T682 WeakPolarHBondContact OD2-CB 3.49Å; D671-T682 WeakPolarHBondContact OD2-CG2 3.42Å; D671-T682 PolarHBondContact OD2-OG1 3.11Å; R674-T682 HydrophobicContact CG-CG2 3.64Å; R674-T682 VanDerWaalsContact NE-CG2 3.32Å |
| 683 | C | 95.4 | Very high | 93.1 | Very high | 4 Ų | 4 | 29.5 Ų | 29.5 | 3% | 0.027 | 16% | 0.164 | C | C | . | . | P | Polyproline II helix | trans | -89.9 | 142.8 | -179.3 | -56.9 | 0 | 0 | 0 | 0 | 111 | F666 R674 T681 A687 L697 | F666-C683 HydrophobicContact CD1-CB 4.42Å; F666-C683 WeakPolarHBondContact CD1-O 3.38Å; F666-C683 HydrophobicContact CE1-CB 4.18Å; R674-C683 WeakPolarHBondContact O-CB 3.2Å; R674-C683 PolarHBondContact O-N 3.2Å; T681-C683 PolarHBondContact O-N 3.15Å; C683-A687 HydrophobicContact CB-CB 4.08Å; C683-L697 HydrophobicContact CB-CD2 4.07Å; C683-L697 VanDerWaalsContact SG-CD2 3.54Å |
| 684 | F | 95.4 | Very high | 92.7 | Very high | 3 Ų | 3 | 28.7 Ų | 28.7 | 1% | 0.013 | 17% | 0.17 | C | C | . | . | trans | -137.4 | -52.5 | 174.5 | 172.1 | -100.8 | 0 | 0 | 0 | 113.3 | S612 E614 E615 F618 F666 E667 R719 Y720 | S612-F684 WeakPolarHBondContact OG-CB 3.33Å; E614-F684 HydrophobicContact CB-CB 4.24Å; E614-F684 HydrophobicContact CB-CD1 3.85Å; E614-F684 HydrophobicContact CB-CG 4.48Å; E615-F684 HydrophobicContact CB-CB 4.24Å; E615-F684 HydrophobicContact CB-CD1 4.09Å; E615-F684 HydrophobicContact CB-CD2 3.63Å; E615-F684 HydrophobicContact CB-CE1 4.38Å; E615-F684 HydrophobicContact CB-CE2 3.95Å; E615-F684 HydrophobicContact CB-CG 3.7Å; E615-F684 HydrophobicContact CB-CZ 4.3Å; E615-F684 HydrophobicContact CG-CD2 3.75Å; E615-F684 HydrophobicContact CG-CE2 3.72Å; E615-F684 HydrophobicContact CG-CG 4.34Å; E615-F684 HydrophobicContact CG-CZ 4.27Å; F618-F684 HydrophobicContact CB-CE1 3.7Å; F618-F684 HydrophobicContact CB-CZ 3.96Å; F618-F684 HydrophobicContact CD1-CE1 4.3Å; F618-F684 HydrophobicContact CD2-CE1 4.16Å; F618-F684 AromaticContact CG-CE1 3.79Å; F618-F684 HydrophobicContact CG-CE1 3.79Å; F618-F684 HydrophobicContact CG-CZ 4.4Å; F666-F684 HydrophobicContact CB-CD2 4.14Å; F666-F684 WeakPolarHBondContact CD2-O 3.42Å; E667-F684 HydrophobicContact CB-CE2 4.45Å; F684-R719 HydrophobicContact CE1-CG 4.5Å; F684-R719 HydrophobicContact CE2-CG 3.94Å; F684-R719 HydrophobicContact CZ-CG 3.9Å; F684-R719 VanDerWaalsContact O-CB 3.23Å; F684-R719 WeakPolarHBondContact O-CB 3.43Å; F684-Y720 HydrophobicContact CE1-CE2 4.02Å; F684-Y720 AromaticContact CZ-CE2 3.82Å; F684-Y720 HydrophobicContact CZ-CE2 3.82Å | ||
| 685 | L | 95.1 | Very high | 92.2 | Very high | 6 Ų | 6 | 37.1 Ų | 37.1 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -69.5 | -44.3 | -176.5 | -67.3 | 176.3 | 0 | 0 | 0 | 113 | E614 F618 M642 E646 R650 R719 | E614-L685 HydrophobicContact CB-CD1 4.33Å; E614-L685 HydrophobicContact CB-CG 4.1Å; E614-L685 HydrophobicContact CG-CD1 4.41Å; E614-L685 WeakPolarHBondContact OE2-CG 3.29Å; E614-L685 PolarHBondContact OE2-N 3.37Å; F618-L685 HydrophobicContact CD1-CD2 4.47Å; F618-L685 HydrophobicContact CD2-CD2 3.99Å; F618-L685 HydrophobicContact CE1-CD2 4.01Å; F618-L685 HydrophobicContact CE2-CD1 4.36Å; F618-L685 HydrophobicContact CE2-CD2 3.5Å; F618-L685 VanDerWaalsContact CE2-CD2 3.5Å; F618-L685 HydrophobicContact CE2-CG 4.49Å; F618-L685 HydrophobicContact CG-CD2 4.44Å; F618-L685 HydrophobicContact CZ-CD2 3.49Å; F618-L685 VanDerWaalsContact CZ-CD2 3.49Å; M642-L685 HydrophobicContact CE-CD1 4.13Å; E646-L685 HydrophobicContact CB-CD1 4.2Å; E646-L685 HydrophobicContact CG-CB 4.22Å; E646-L685 HydrophobicContact CG-CD1 4.25Å; E646-L685 WeakPolarHBondContact OE1-CB 3.17Å; R650-L685 PolarHBondContact NH2-O 2.78Å; R650-L685 VanDerWaalsContact NH2-O 3.17Å; L685-R719 PolarHBondContact O-N 2.99Å |
| 686 | S | 96 | Very high | 92.1 | Very high | 8 Ų | 8 | 39.9 Ų | 39.9 | 6% | 0.056 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 160.1 | 175 | 59.3 | 0 | 0 | 0 | 0 | 113.4 | E646 L700 R717 | E646-S686 VanDerWaalsContact CD-OG 3.27Å; E646-S686 WeakPolarHBondContact OE1-CB 3.48Å; E646-S686 PolarHBondContact OE1-OG 2.68Å; E646-S686 PolarHBondContact OE2-OG 3.27Å; E646-S686 VanDerWaalsContact OE2-OG 3.07Å; S686-L700 WeakPolarHBondContact OG-CD1 3.31Å; S686-L700 VanDerWaalsContact OG-CG 3.32Å; S686-L700 WeakPolarHBondContact OG-CG 3.44Å; S686-R717 CarbonylContact C-O 3.26Å; S686-R717 WeakPolarHBondContact CA-O 3.37Å; S686-R717 VanDerWaalsContact CB-O 3.28Å; S686-R717 WeakPolarHBondContact CB-O 3.14Å |
| 687 | A | 96.7 | Very high | 92 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 172.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | F666 C683 L697 V698 R717 | F666-A687 HydrophobicContact CE1-CB 3.83Å; F666-A687 HydrophobicContact CZ-CB 3.81Å; C683-A687 HydrophobicContact CB-CB 4.08Å; A687-L697 HydrophobicContact CB-CD1 3.74Å; A687-L697 HydrophobicContact CB-CD2 3.67Å; A687-L697 HydrophobicContact CB-CG 3.68Å; A687-V698 CarbonylContact C-O 3.57Å; A687-V698 WeakPolarHBondContact CA-O 3.43Å; A687-V698 WeakPolarHBondContact CB-O 3.34Å; A687-R717 HydrophobicContact CB-CB 4.43Å; A687-R717 PolarHBondContact N-O 3.28Å; A687-R717 PolarHBondContact O-N 3.47Å |
| 688 | L | 96.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 122.9 | 178.7 | -163 | 71.5 | 0 | 0 | 0 | 109.9 | V658 V698 L700 P703 L706 K714 C715 | V658-L688 HydrophobicContact CB-CD1 4.49Å; V658-L688 HydrophobicContact CG1-CD1 3.87Å; V658-L688 HydrophobicContact CG2-CD1 3.79Å; V658-L688 HydrophobicContact CG2-CD2 4.39Å; L688-V698 HydrophobicContact CB-CG2 3.86Å; L688-V698 PolarHBondContact N-O 2.99Å; L688-V698 PolarHBondContact O-N 2.65Å; L688-V698 VanDerWaalsContact O-N 3.13Å; L688-L700 HydrophobicContact CB-CD2 4.27Å; L688-P703 HydrophobicContact CD2-CB 3.68Å; L688-L706 HydrophobicContact CB-CD2 4.5Å; L688-L706 HydrophobicContact CD2-CD2 4.43Å; L688-L706 HydrophobicContact CG-CD2 4.16Å; L688-L706 WeakPolarHBondContact O-CD2 3.06Å; L688-K714 HydrophobicContact CD1-CB 3.98Å; L688-K714 HydrophobicContact CD2-CB 4.2Å; L688-K714 HydrophobicContact CD2-CD 3.66Å; L688-K714 HydrophobicContact CG-CB 4Å; L688-K714 HydrophobicContact CG-CD 4.26Å; L688-C715 WeakPolarHBondContact CA-O 3.26Å |
| 689 | T | 95.8 | Very high | 92.6 | Very high | 18 Ų | 18 | 38.6 Ų | 38.6 | 11% | 0.11 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 167.2 | 177.8 | 55.3 | 0 | 0 | 0 | 0 | 110.8 | L697 K714 C715 R717 | T689-L697 HydrophobicContact CG2-CB 4.22Å; T689-L697 HydrophobicContact CG2-CD1 3.92Å; T689-L697 HydrophobicContact CG2-CG 4.15Å; T689-K714 CarbonylContact O-C 3.22Å; T689-K714 WeakPolarHBondContact O-CA 3.44Å; T689-C715 PolarHBondContact N-O 3.27Å; T689-C715 PolarHBondContact O-N 3.29Å; T689-R717 HydrophobicContact CG2-CG 3.85Å; T689-R717 WeakPolarHBondContact OG1-CG 3.26Å; T689-R717 PolarHBondContact OG1-NE 3.45Å |
| 690 | C | 94.1 | Very high | 92.9 | Very high | 6 Ų | 6 | 39 Ų | 39 | 4% | 0.041 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 138.7 | 179.7 | -172.5 | 0 | 0 | 0 | 0 | 111.4 | C692 N693 L706 N713 K714 | C690-C692 PolarHBondContact O-N 2.67Å; C690-N693 CarbonylContact O-C 3.48Å; C690-N693 VanDerWaalsContact O-C 3.31Å; C690-N693 PolarHBondContact O-N 2.91Å; C690-L706 HydrophobicContact CB-CD2 3.75Å; C690-L706 HydrophobicContact CB-CG 4.37Å; C690-N713 PolarHBondContact SG-O 3.49Å; C690-K714 HydrophobicContact CB-CG 4.14Å |
| 691 | S | 90.1 | Very high | 93.2 | Very high | 107 Ų | 107 | 37.4 Ų | 37.4 | 75% | 0.748 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -7.4 | -178.8 | 53.9 | 0 | 0 | 0 | 0 | 115.1 | ||
| 692 | C | 91.5 | Very high | 93.2 | Very high | 70 Ų | 70 | 39.3 Ų | 39.3 | 47% | 0.473 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -21.6 | 170.8 | 69.3 | 0 | 0 | 0 | 0 | 113.9 | C690 C707 | C690-C692 PolarHBondContact O-N 2.67Å; C692-C707 VanDerWaalsContact SG-CB 3.51Å |
| 693 | N | 88.1 | Confident | 93.2 | Very high | 64 Ų | 64 | 39.5 Ų | 39.5 | 34% | 0.342 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 97.8 | 172.2 | -173.9 | -13.3 | 0 | 0 | 0 | 109.4 | C690 E695 R696 | C690-N693 CarbonylContact O-C 3.48Å; C690-N693 VanDerWaalsContact O-C 3.31Å; C690-N693 PolarHBondContact O-N 2.91Å; N693-E695 VanDerWaalsContact C-N 3.29Å; N693-E695 PolarHBondContact O-N 2.96Å; N693-E695 PolarHBondContact OD1-N 3.49Å; N693-R696 HydrophobicContact CB-CB 3.97Å; N693-R696 PolarHBondContact O-N 3.5Å |
| 694 | P | 81.8 | Confident | 93.1 | Very high | 111 Ų | 111 | 43.3 Ų | 43.3 | 72% | 0.721 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -61.4 | -33.1 | -179.2 | -24.4 | 35.2 | 0 | 0 | 0 | 114.2 | R696 | P694-R696 PolarHBondContact O-N 3.09Å |
| 695 | E | 81.6 | Confident | 92.9 | Very high | 187 Ų | 187 | 46.9 Ų | 46.9 | 87% | 0.874 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.5 | -0.5 | 179.7 | -60.8 | 164.4 | -164.5 | 0 | 0 | 112.7 | N693 | N693-E695 VanDerWaalsContact C-N 3.29Å; N693-E695 PolarHBondContact O-N 2.96Å; N693-E695 PolarHBondContact OD1-N 3.49Å |
| 696 | R | 91.2 | Very high | 92.8 | Very high | 82 Ų | 82 | 46.8 Ų | 46.8 | 31% | 0.309 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 125.8 | -173.3 | -159 | 177.5 | -176 | -149.5 | -3.5 | 112.5 | S677 N693 P694 D705 L706 | S677-R696 WeakPolarHBondContact OG-CG 3.32Å; S677-R696 PolarHBondContact OG-NE 3.44Å; S677-R696 VanDerWaalsContact OG-NE 3.13Å; N693-R696 HydrophobicContact CB-CB 3.97Å; N693-R696 PolarHBondContact O-N 3.5Å; P694-R696 PolarHBondContact O-N 3.09Å; R696-D705 PolarHBondContact NH1-O 3.46Å; R696-D705 VanDerWaalsContact NH1-O 3.11Å; R696-D705 PolarHBondContact NH2-O 3.44Å; R696-L706 HydrophobicContact CB-CD1 4.4Å; R696-L706 WeakPolarHBondContact CD-O 2.94Å; R696-L706 HydrophobicContact CG-CD1 4.18Å; R696-L706 PolarHBondContact NH1-O 3.38Å; R696-L706 VanDerWaalsContact O-CD1 3.27Å; R696-L706 WeakPolarHBondContact O-CD1 3.27Å |
| 697 | L | 94.3 | Very high | 92.6 | Very high | 13 Ų | 13 | 47.5 Ų | 47.5 | 7% | 0.068 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 149.8 | -175.1 | -176.7 | 145.4 | 0 | 0 | 0 | 111.3 | F666 S677 C683 A687 T689 | F666-L697 HydrophobicContact CE1-CD1 4.21Å; S677-L697 WeakPolarHBondContact CB-O 3.35Å; S677-L697 PolarHBondContact N-O 3.26Å; S677-L697 PolarHBondContact OG-O 3.24Å; C683-L697 HydrophobicContact CB-CD2 4.07Å; C683-L697 VanDerWaalsContact SG-CD2 3.54Å; A687-L697 HydrophobicContact CB-CD1 3.74Å; A687-L697 HydrophobicContact CB-CD2 3.67Å; A687-L697 HydrophobicContact CB-CG 3.68Å; T689-L697 HydrophobicContact CG2-CB 4.22Å; T689-L697 HydrophobicContact CG2-CD1 3.92Å; T689-L697 HydrophobicContact CG2-CG 4.15Å |
| 698 | V | 96.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 151 | 168.6 | -62.5 | 0 | 0 | 0 | 0 | 111.6 | A687 L688 H702 L706 | A687-V698 CarbonylContact C-O 3.57Å; A687-V698 WeakPolarHBondContact CA-O 3.43Å; A687-V698 WeakPolarHBondContact CB-O 3.34Å; L688-V698 HydrophobicContact CB-CG2 3.86Å; L688-V698 PolarHBondContact N-O 2.99Å; L688-V698 PolarHBondContact O-N 2.65Å; L688-V698 VanDerWaalsContact O-N 3.13Å; V698-H702 WeakPolarHBondContact CG2-O 3.44Å; V698-L706 HydrophobicContact CG1-CB 3.95Å; V698-L706 HydrophobicContact CG1-CD1 4.13Å; V698-L706 HydrophobicContact CG2-CB 3.78Å; V698-L706 HydrophobicContact CG2-CD1 4.3Å; V698-L706 HydrophobicContact CG2-CG 4.42Å |
| 699 | C | 96.3 | Very high | 92.1 | Very high | 10 Ų | 10 | 55.3 Ų | 55.3 | 7% | 0.068 | 32% | 0.315 | C | S | . | . | trans | -74.7 | 161.3 | 168.5 | 66.8 | 0 | 0 | 0 | 0 | 111.3 | C676 C679 Y701 H702 | C676-C699 HydrophobicContact CB-CB 4.06Å; C676-C699 PolarHBondContact SG-N 3.09Å; C679-C699 VanDerWaalsContact SG-SG 3.6Å; C699-Y701 PolarHBondContact O-N 3.02Å; C699-H702 PolarHBondContact O-N 3.45Å; C699-H702 PolarHBondContact SG-ND1 3.45Å; C699-H702 VanDerWaalsContact SG-ND1 3.45Å | ||
| 700 | L | 96.6 | Very high | 91.9 | Very high | 9 Ų | 9 | 58.1 Ų | 58.1 | 5% | 0.047 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -4.8 | -176.5 | -54.7 | -163.5 | 0 | 0 | 0 | 115 | L649 R650 V653 S686 L688 P703 L716 | L649-L700 HydrophobicContact CB-CB 3.95Å; L649-L700 HydrophobicContact CB-CD1 3.94Å; L649-L700 HydrophobicContact CD2-CB 4.31Å; L649-L700 HydrophobicContact CG-CB 4.49Å; R650-L700 HydrophobicContact CG-CD1 3.91Å; V653-L700 HydrophobicContact CG1-CB 4.34Å; V653-L700 HydrophobicContact CG1-CD2 4.2Å; V653-L700 HydrophobicContact CG2-CD1 4.11Å; V653-L700 HydrophobicContact CG2-CD2 4.33Å; S686-L700 WeakPolarHBondContact OG-CD1 3.31Å; S686-L700 VanDerWaalsContact OG-CG 3.32Å; S686-L700 WeakPolarHBondContact OG-CG 3.44Å; L688-L700 HydrophobicContact CB-CD2 4.27Å; L700-P703 WeakPolarHBondContact O-CD 3.41Å; L700-L716 HydrophobicContact CD1-CD1 3.99Å; L700-L716 HydrophobicContact CD2-CD1 3.82Å; L700-L716 HydrophobicContact CG-CD1 4.5Å |
| 701 | Y | 96 | Very high | 91.8 | Very high | 76 Ų | 76 | 59.8 Ų | 59.8 | 30% | 0.298 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -18.6 | 167.8 | -66.7 | -81.4 | 0 | 0 | 0 | 113.5 | E645 L649 C699 P703 | E645-Y701 WeakPolarHBondContact CG-OH 3.42Å; E645-Y701 VanDerWaalsContact OE1-CE1 3.31Å; E645-Y701 WeakPolarHBondContact OE1-CE1 3.37Å; E645-Y701 VanDerWaalsContact OE1-CZ 3.31Å; E645-Y701 PolarHBondContact OE1-OH 2.74Å; L649-Y701 HydrophobicContact CD1-CD2 4.37Å; L649-Y701 HydrophobicContact CD1-CE1 4.25Å; L649-Y701 HydrophobicContact CD1-CE2 3.74Å; L649-Y701 HydrophobicContact CD2-CD1 4.1Å; L649-Y701 HydrophobicContact CD2-CE1 3.98Å; L649-Y701 HydrophobicContact CD2-CG 4.45Å; C699-Y701 PolarHBondContact O-N 3.02Å; Y701-P703 VanDerWaalsContact C-CD 3.42Å |
| 702 | H | 94.9 | Very high | 91.9 | Very high | 47 Ų | 47 | 59.5 Ų | 59.5 | 22% | 0.218 | 33% | 0.328 | C | S | . | . | trans | -130 | 45.2 | -175.9 | -56.9 | 96.5 | 0 | 0 | 0 | 113.6 | A678 C679 V698 C699 T704 D705 | A678-H702 HydrophobicContact CB-CB 3.76Å; C679-H702 VanDerWaalsContact CB-CE1 3.44Å; C679-H702 WeakPolarHBondContact CB-CE1 3.25Å; C679-H702 VanDerWaalsContact SG-CE1 3.52Å; C679-H702 PolarHBondContact SG-ND1 3.1Å; V698-H702 WeakPolarHBondContact CG2-O 3.44Å; C699-H702 PolarHBondContact O-N 3.45Å; C699-H702 PolarHBondContact SG-ND1 3.45Å; C699-H702 VanDerWaalsContact SG-ND1 3.45Å; H702-T704 PolarHBondContact O-N 2.9Å; H702-T704 VanDerWaalsContact O-N 3.13Å; H702-D705 HydrophobicContact CB-CB 4.31Å; H702-D705 PolarHBondContact O-N 2.86Å; H702-D705 VanDerWaalsContact O-N 3.1Å | ||
| 703 | P | 93.8 | Very high | 91.8 | Very high | 8 Ų | 8 | 60.3 Ų | 60.3 | 5% | 0.052 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -21 | -173.3 | 30.3 | -37.1 | 0 | 0 | 0 | 113.2 | V653 M656 L688 L700 Y701 K714 | V653-P703 HydrophobicContact CG1-CB 3.96Å; V653-P703 HydrophobicContact CG1-CG 4.23Å; M656-P703 HydrophobicContact CE-CG 4.09Å; M656-P703 HydrophobicContact SD-CB 4.23Å; M656-P703 HydrophobicContact SD-CG 3.63Å; L688-P703 HydrophobicContact CD2-CB 3.68Å; L700-P703 WeakPolarHBondContact O-CD 3.41Å; Y701-P703 VanDerWaalsContact C-CD 3.42Å; P703-K714 PolarHBondContact O-NZ 2.84Å |
| 704 | T | 92.3 | Very high | 92.1 | Very high | 85 Ų | 85 | 57.4 Ų | 57.4 | 52% | 0.521 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -36.1 | 174.5 | 33.2 | 0 | 0 | 0 | 0 | 113.6 | H702 L706 M711 | H702-T704 PolarHBondContact O-N 2.9Å; H702-T704 VanDerWaalsContact O-N 3.13Å; T704-L706 PolarHBondContact O-N 3.37Å; T704-M711 HydrophobicContact CG2-CE 4.27Å |
| 705 | D | 92.7 | Very high | 92.7 | Very high | 77 Ų | 77 | 52.6 Ų | 52.6 | 41% | 0.412 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -6 | -160.5 | -59.5 | -99.2 | 0 | 0 | 0 | 114.2 | A678 R696 H702 | A678-D705 HydrophobicContact CB-CB 3.87Å; R696-D705 PolarHBondContact NH1-O 3.46Å; R696-D705 VanDerWaalsContact NH1-O 3.11Å; R696-D705 PolarHBondContact NH2-O 3.44Å; H702-D705 HydrophobicContact CB-CB 4.31Å; H702-D705 PolarHBondContact O-N 2.86Å; H702-D705 VanDerWaalsContact O-N 3.1Å |
| 706 | L | 92.3 | Very high | 93.4 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -51 | 177.7 | -179.2 | 63.9 | 0 | 0 | 0 | 113.5 | L688 C690 R696 V698 T704 K714 | L688-L706 HydrophobicContact CB-CD2 4.5Å; L688-L706 HydrophobicContact CD2-CD2 4.43Å; L688-L706 HydrophobicContact CG-CD2 4.16Å; L688-L706 WeakPolarHBondContact O-CD2 3.06Å; C690-L706 HydrophobicContact CB-CD2 3.75Å; C690-L706 HydrophobicContact CB-CG 4.37Å; R696-L706 HydrophobicContact CB-CD1 4.4Å; R696-L706 WeakPolarHBondContact CD-O 2.94Å; R696-L706 HydrophobicContact CG-CD1 4.18Å; R696-L706 PolarHBondContact NH1-O 3.38Å; R696-L706 VanDerWaalsContact O-CD1 3.27Å; R696-L706 WeakPolarHBondContact O-CD1 3.27Å; V698-L706 HydrophobicContact CG1-CB 3.95Å; V698-L706 HydrophobicContact CG1-CD1 4.13Å; V698-L706 HydrophobicContact CG2-CB 3.78Å; V698-L706 HydrophobicContact CG2-CD1 4.3Å; V698-L706 HydrophobicContact CG2-CG 4.42Å; T704-L706 PolarHBondContact O-N 3.37Å; L706-K714 HydrophobicContact CD2-CD 3.92Å; L706-K714 HydrophobicContact CD2-CG 4.17Å |
| 707 | C | 91.1 | Very high | 93.7 | Very high | 23 Ų | 23 | 42.5 Ų | 42.5 | 16% | 0.155 | 24% | 0.236 | C | C | . | . | trans | -172.6 | 161.6 | -177.2 | 62.8 | 0 | 0 | 0 | 0 | 110.3 | C692 C709 K714 | C692-C707 VanDerWaalsContact SG-CB 3.51Å; C707-C709 PolarHBondContact O-N 2.98Å; C707-K714 PolarHBondContact O-NZ 3.02Å; C707-K714 WeakPolarHBondContact SG-CE 3.28Å | ||
| 708 | S | 91.9 | Very high | 93.7 | Very high | 129 Ų | 129 | 44.1 Ų | 44.1 | 90% | 0.902 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -75.6 | 1.5 | 174.2 | 51.7 | 0 | 0 | 0 | 0 | 114.5 | ||
| 709 | C | 91.3 | Very high | 93.7 | Very high | 36 Ų | 36 | 46 Ų | 46 | 24% | 0.243 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -69.4 | 147.8 | 176.6 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | C707 K714 | C707-C709 PolarHBondContact O-N 2.98Å; C709-K714 WeakPolarHBondContact O-CE 3.29Å |
| 710 | P | 92.1 | Very high | 93.5 | Very high | 77 Ų | 77 | 47.3 Ų | 47.3 | 50% | 0.5 | 25% | 0.253 | S | S | . | . | trans | -55.7 | 148.4 | 174 | -23.6 | 33.9 | 0 | 0 | 0 | 112.2 | Q712 N713 | P710-Q712 VanDerWaalsContact CB-OE1 3.23Å; P710-Q712 PolarHBondContact O-N 3.26Å; P710-Q712 VanDerWaalsContact O-N 3.14Å; P710-N713 PolarHBondContact O-N 2.68Å | ||
| 711 | M | 91.1 | Very high | 93.2 | Very high | 40 Ų | 40 | 48.3 Ų | 48.3 | 20% | 0.197 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -61.3 | -26.4 | -175.7 | -57.7 | -58.2 | 178.1 | 0 | 0 | 112.9 | M656 G657 V658 T704 N713 K714 | M656-M711 HydrophobicContact CB-CG 4.27Å; M656-M711 WeakPolarHBondContact O-CB 3.32Å; M656-M711 WeakPolarHBondContact O-CG 3.39Å; G657-M711 CarbonylContact O-C 3.52Å; V658-M711 HydrophobicContact CG2-CB 4.32Å; T704-M711 HydrophobicContact CG2-CE 4.27Å; M711-N713 PolarHBondContact O-N 2.75Å; M711-K714 WeakPolarHBondContact O-CB 3.22Å; M711-K714 PolarHBondContact O-N 2.86Å; M711-K714 HydrophobicContact SD-CD 3.69Å; M711-K714 PolarHBondContact SD-NZ 2.93Å |
| 712 | Q | 91.4 | Very high | 92.9 | Very high | 102 Ų | 102 | 48.1 Ų | 48.1 | 48% | 0.477 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -63.2 | -21.4 | 175.8 | -61.2 | 76 | 16.1 | 0 | 0 | 113.2 | G657 P710 | G657-Q712 VanDerWaalsContact O-CA 3.31Å; G657-Q712 WeakPolarHBondContact O-CA 3.2Å; G657-Q712 PolarHBondContact O-N 3.49Å; P710-Q712 VanDerWaalsContact CB-OE1 3.23Å; P710-Q712 PolarHBondContact O-N 3.26Å; P710-Q712 VanDerWaalsContact O-N 3.14Å |
| 713 | N | 90.8 | Very high | 92.5 | Very high | 87 Ų | 87 | 53.5 Ų | 53.5 | 47% | 0.465 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -96.1 | 4.5 | 178.3 | -63.4 | 9.7 | 0 | 0 | 0 | 112.5 | C690 P710 M711 | C690-N713 PolarHBondContact SG-O 3.49Å; P710-N713 PolarHBondContact O-N 2.68Å; M711-N713 PolarHBondContact O-N 2.75Å |
| 714 | K | 94 | Very high | 92 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.009 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 152 | 178.4 | -58.7 | -177.5 | 177.4 | 173.9 | 0 | 110 | V658 L688 T689 C690 P703 L706 C707 C709 M711 | V658-K714 HydrophobicContact CG2-CB 4.42Å; L688-K714 HydrophobicContact CD1-CB 3.98Å; L688-K714 HydrophobicContact CD2-CB 4.2Å; L688-K714 HydrophobicContact CD2-CD 3.66Å; L688-K714 HydrophobicContact CG-CB 4Å; L688-K714 HydrophobicContact CG-CD 4.26Å; T689-K714 CarbonylContact O-C 3.22Å; T689-K714 WeakPolarHBondContact O-CA 3.44Å; C690-K714 HydrophobicContact CB-CG 4.14Å; P703-K714 PolarHBondContact O-NZ 2.84Å; L706-K714 HydrophobicContact CD2-CD 3.92Å; L706-K714 HydrophobicContact CD2-CG 4.17Å; C707-K714 PolarHBondContact O-NZ 3.02Å; C707-K714 WeakPolarHBondContact SG-CE 3.28Å; C709-K714 WeakPolarHBondContact O-CE 3.29Å; M711-K714 WeakPolarHBondContact O-CB 3.22Å; M711-K714 PolarHBondContact O-N 2.86Å; M711-K714 HydrophobicContact SD-CD 3.69Å; M711-K714 PolarHBondContact SD-NZ 2.93Å |
| 715 | C | 95.1 | Very high | 91.6 | Very high | 11 Ų | 11 | 53 Ų | 53 | 7% | 0.074 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 123.8 | -178.1 | -175.4 | 0 | 0 | 0 | 0 | 110.1 | M660 L688 T689 R717 | M660-C715 HydrophobicContact CB-CB 4.16Å; M660-C715 WeakPolarHBondContact O-CA 3.43Å; L688-C715 WeakPolarHBondContact CA-O 3.26Å; T689-C715 PolarHBondContact N-O 3.27Å; T689-C715 PolarHBondContact O-N 3.29Å; C715-R717 PolarHBondContact O-N 2.83Å |
| 716 | L | 96.4 | Very high | 91.3 | Very high | 13 Ų | 13 | 53 Ų | 53 | 7% | 0.068 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 106.7 | 170.2 | 173.3 | 60.4 | 0 | 0 | 0 | 109.1 | R650 V653 V658 M660 S661 E662 L700 | R650-L716 HydrophobicContact CG-CD2 4.35Å; V653-L716 HydrophobicContact CG2-CD1 4.41Å; V658-L716 HydrophobicContact CG1-CB 4.06Å; M660-L716 PolarHBondContact O-N 3.46Å; S661-L716 CarbonylContact C-O 3.09Å; S661-L716 WeakPolarHBondContact CA-O 3.44Å; E662-L716 PolarHBondContact N-O 3.2Å; L700-L716 HydrophobicContact CD1-CD1 3.99Å; L700-L716 HydrophobicContact CD2-CD1 3.82Å; L700-L716 HydrophobicContact CG-CD1 4.5Å |
| 717 | R | 95.7 | Very high | 90.9 | Very high | 44 Ų | 44 | 56.3 Ų | 56.3 | 17% | 0.166 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 131.2 | 168.6 | -62.9 | -70.1 | 170.8 | 155.5 | -26.2 | 108.3 | E662 E664 F666 S686 A687 T689 C715 | E662-R717 VanDerWaalsContact CD-CZ 3.43Å; E662-R717 WeakPolarHBondContact O-CA 3.45Å; E662-R717 IonicContact OE1-CZ 3.68Å; E662-R717 IonicContact OE1-NH1 3.78Å; E662-R717 PolarHBondContact OE1-NH1 3.09Å; E662-R717 IonicContact OE1-NH2 2.74Å; E662-R717 PolarHBondContact OE1-NH2 3.44Å; E662-R717 IonicContact OE2-CZ 2.73Å; E662-R717 IonicContact OE2-NH2 3.6Å; E662-R717 PolarHBondContact OE2-NH2 2.96Å; E664-R717 HydrophobicContact CB-CB 4.23Å; E664-R717 IonicContact OE1-CZ 2.76Å; E664-R717 IonicContact OE1-NE 3.1Å; E664-R717 IonicContact OE1-NH1 2.74Å; E664-R717 PolarHBondContact OE1-NH1 2.89Å; E664-R717 VanDerWaalsContact OE2-CB 3.25Å; E664-R717 WeakPolarHBondContact OE2-CB 3.24Å; E664-R717 WeakPolarHBondContact OE2-CD 3.12Å; E664-R717 WeakPolarHBondContact OE2-CG 3.43Å; F666-R717 HydrophobicContact CE2-CB 4.37Å; F666-R717 HydrophobicContact CZ-CB 3.73Å; S686-R717 CarbonylContact C-O 3.26Å; S686-R717 WeakPolarHBondContact CA-O 3.37Å; S686-R717 VanDerWaalsContact CB-O 3.28Å; S686-R717 WeakPolarHBondContact CB-O 3.14Å; A687-R717 HydrophobicContact CB-CB 4.43Å; A687-R717 PolarHBondContact N-O 3.28Å; A687-R717 PolarHBondContact O-N 3.47Å; T689-R717 HydrophobicContact CG2-CG 3.85Å; T689-R717 WeakPolarHBondContact OG1-CG 3.26Å; T689-R717 PolarHBondContact OG1-NE 3.45Å; C715-R717 PolarHBondContact O-N 2.83Å |
| 718 | Y | 95.8 | Very high | 90.6 | Very high | 46 Ų | 46 | 56.8 Ų | 56.8 | 18% | 0.18 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 147.6 | -178.9 | 68.2 | -95.7 | 0 | 0 | 0 | 112 | E662 E663 E664 Y720 P721 | E662-Y718 WeakPolarHBondContact O-CD1 3.12Å; E662-Y718 PolarHBondContact O-N 3.1Å; E662-Y718 VanDerWaalsContact O-N 3.07Å; E663-Y718 CarbonylContact C-O 3.55Å; E663-Y718 VanDerWaalsContact CA-O 3.32Å; E663-Y718 WeakPolarHBondContact CA-O 3.44Å; E663-Y718 HydrophobicContact CB-CE2 4.02Å; E663-Y718 HydrophobicContact CG-CD2 4.5Å; E663-Y718 HydrophobicContact CG-CE2 4.05Å; E664-Y718 PolarHBondContact N-O 2.86Å; Y718-Y720 WeakPolarHBondContact CD2-O 3.5Å; Y718-P721 HydrophobicContact CE2-CB 4.38Å |
| 719 | R | 95.1 | Very high | 90.5 | Very high | 39 Ų | 39 | 52 Ų | 52 | 15% | 0.147 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -87.1 | -36.4 | -178.6 | -178.6 | 57.8 | -171.4 | 88.2 | -3.1 | 114.8 | E664 F666 E667 F684 L685 | E664-R719 WeakPolarHBondContact O-CD 3.37Å; F666-R719 HydrophobicContact CD2-CB 4.05Å; E667-R719 VanDerWaalsContact CD-NE 3.27Å; E667-R719 IonicContact OE1-CZ 2.66Å; E667-R719 VanDerWaalsContact OE1-CZ 3.26Å; E667-R719 IonicContact OE1-NE 3.16Å; E667-R719 PolarHBondContact OE1-NE 3.3Å; E667-R719 IonicContact OE1-NH2 2.7Å; E667-R719 PolarHBondContact OE1-NH2 3.21Å; E667-R719 VanDerWaalsContact OE2-CD 3.29Å; E667-R719 WeakPolarHBondContact OE2-CD 3.3Å; E667-R719 IonicContact OE2-CZ 3.61Å; E667-R719 IonicContact OE2-NE 2.72Å; E667-R719 PolarHBondContact OE2-NE 3.34Å; F684-R719 HydrophobicContact CE1-CG 4.5Å; F684-R719 HydrophobicContact CE2-CG 3.94Å; F684-R719 HydrophobicContact CZ-CG 3.9Å; F684-R719 VanDerWaalsContact O-CB 3.23Å; F684-R719 WeakPolarHBondContact O-CB 3.43Å; L685-R719 PolarHBondContact O-N 2.99Å |
| 720 | Y | 92.6 | Very high | 90.4 | Very high | 39 Ų | 39 | 58 Ų | 58 | 15% | 0.153 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -134.5 | 140.1 | 179.1 | -57.5 | -77.2 | 0 | 0 | 0 | 109.3 | F618 R650 F684 Y718 L725 L728 | F618-Y720 AromaticContact CD1-CD2 3.75Å; F618-Y720 HydrophobicContact CD1-CD2 3.75Å; F618-Y720 AromaticContact CD1-CE2 3.21Å; F618-Y720 HydrophobicContact CD1-CE2 3.21Å; F618-Y720 AromaticContact CD1-CZ 3.86Å; F618-Y720 AromaticContact CE1-CD2 3.61Å; F618-Y720 HydrophobicContact CE1-CD2 3.61Å; F618-Y720 AromaticContact CE1-CE2 3.61Å; F618-Y720 HydrophobicContact CE1-CE2 3.61Å; F618-Y720 HydrophobicContact CE1-CG 4.48Å; F618-Y720 HydrophobicContact CG-CE2 4.1Å; R650-Y720 PolarHBondContact NH1-O 2.91Å; R650-Y720 PolarHBondContact NH2-O 2.91Å; F684-Y720 HydrophobicContact CE1-CE2 4.02Å; F684-Y720 AromaticContact CZ-CE2 3.82Å; F684-Y720 HydrophobicContact CZ-CE2 3.82Å; Y718-Y720 WeakPolarHBondContact CD2-O 3.5Å; Y720-L725 HydrophobicContact CD2-CD2 4.37Å; Y720-L725 HydrophobicContact CG-CD2 4.35Å; Y720-L728 HydrophobicContact CE1-CD1 4.48Å |
| 721 | P | 91.8 | Very high | 90.2 | Very high | 29 Ų | 29 | 55.5 Ų | 55.5 | 19% | 0.188 | 28% | 0.282 | C | S | . | . | trans | -66.7 | 154.8 | 166.1 | 33.2 | -36.1 | 0 | 0 | 0 | 109.7 | Y718 E723 D724 | Y718-P721 HydrophobicContact CE2-CB 4.38Å; P721-E723 HydrophobicContact CB-CG 4.13Å; P721-E723 HydrophobicContact CG-CG 4.13Å; P721-E723 PolarHBondContact O-N 2.91Å; P721-E723 VanDerWaalsContact O-N 3.11Å; P721-D724 VanDerWaalsContact CD-OD2 3.28Å; P721-D724 WeakPolarHBondContact CD-OD2 3.47Å; P721-D724 HydrophobicContact CG-CB 4.26Å; P721-D724 WeakPolarHBondContact CG-OD2 3.41Å; P721-D724 PolarHBondContact O-N 2.88Å | ||
| 722 | L | 89 | Confident | 90.2 | Very high | 72 Ų | 72 | 53.6 Ų | 53.6 | 38% | 0.377 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -17.2 | -175.8 | -68.2 | 177.4 | 0 | 0 | 0 | 113.4 | T647 L725 P726 | T647-L722 HydrophobicContact CG2-CD1 4.3Å; L722-L725 HydrophobicContact CD2-CD1 3.65Å; L722-P726 WeakPolarHBondContact O-CD 3.44Å |
| 723 | E | 85.3 | Confident | 90.2 | Very high | 160 Ų | 160 | 53.3 Ų | 53.3 | 75% | 0.748 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -19.3 | 178.9 | 63.1 | -163.5 | 172.1 | 0 | 0 | 114.4 | P721 P726 | P721-E723 HydrophobicContact CB-CG 4.13Å; P721-E723 HydrophobicContact CG-CG 4.13Å; P721-E723 PolarHBondContact O-N 2.91Å; P721-E723 VanDerWaalsContact O-N 3.11Å; E723-P726 WeakPolarHBondContact O-CD 3.47Å |
| 724 | D | 83.9 | Confident | 90.2 | Very high | 73 Ų | 73 | 52 Ų | 52 | 39% | 0.39 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -27.9 | 177.5 | -71.9 | -19 | 0 | 0 | 0 | 112.8 | P721 P726 S727 | P721-D724 VanDerWaalsContact CD-OD2 3.28Å; P721-D724 WeakPolarHBondContact CD-OD2 3.47Å; P721-D724 HydrophobicContact CG-CB 4.26Å; P721-D724 WeakPolarHBondContact CG-OD2 3.41Å; P721-D724 PolarHBondContact O-N 2.88Å; D724-P726 VanDerWaalsContact C-CD 3.44Å; D724-P726 VanDerWaalsContact C-N 3.34Å; D724-S727 WeakPolarHBondContact O-CB 3.47Å; D724-S727 PolarHBondContact O-N 3.25Å; D724-S727 PolarHBondContact O-OG 2.77Å |
| 725 | L | 84.5 | Confident | 90.1 | Very high | 9 Ų | 9 | 53.1 Ų | 53.1 | 5% | 0.047 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -54.4 | -39 | -178.2 | -56.3 | 179.4 | 0 | 0 | 0 | 113.9 | F618 T643 Y720 L722 S727 L729 | F618-L725 HydrophobicContact CE1-CD2 3.61Å; F618-L725 HydrophobicContact CZ-CD2 3.77Å; T643-L725 HydrophobicContact CG2-CB 3.92Å; T643-L725 HydrophobicContact CG2-CD1 4.08Å; T643-L725 HydrophobicContact CG2-CG 4.43Å; Y720-L725 HydrophobicContact CD2-CD2 4.37Å; Y720-L725 HydrophobicContact CG-CD2 4.35Å; L722-L725 HydrophobicContact CD2-CD1 3.65Å; L725-S727 VanDerWaalsContact C-N 3.27Å; L725-S727 PolarHBondContact O-N 3.16Å; L725-L729 PolarHBondContact O-N 3.36Å |
| 726 | P | 85 | Confident | 89.8 | Confident | 77 Ų | 77 | 53 Ų | 53 | 50% | 0.5 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.1 | -26.5 | 172.8 | -24.8 | 36.2 | 0 | 0 | 0 | 114.9 | L722 E723 D724 Y730 | L722-P726 WeakPolarHBondContact O-CD 3.44Å; E723-P726 WeakPolarHBondContact O-CD 3.47Å; D724-P726 VanDerWaalsContact C-CD 3.44Å; D724-P726 VanDerWaalsContact C-N 3.34Å; P726-Y730 WeakPolarHBondContact O-CB 3.36Å; P726-Y730 PolarHBondContact O-N 3.03Å |
| 727 | S | 84.6 | Confident | 89.5 | Confident | 75 Ų | 75 | 57.2 Ų | 57.2 | 52% | 0.524 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -76.7 | -40.9 | -178.7 | 72.3 | 0 | 0 | 0 | 0 | 112.3 | D724 L725 Y730 G731 | D724-S727 WeakPolarHBondContact O-CB 3.47Å; D724-S727 PolarHBondContact O-N 3.25Å; D724-S727 PolarHBondContact O-OG 2.77Å; L725-S727 VanDerWaalsContact C-N 3.27Å; L725-S727 PolarHBondContact O-N 3.16Å; S727-Y730 WeakPolarHBondContact O-CB 3.16Å; S727-Y730 PolarHBondContact O-N 3.47Å; S727-Y730 VanDerWaalsContact O-N 3.17Å; S727-G731 PolarHBondContact O-N 2.84Å; S727-G731 VanDerWaalsContact O-N 3.16Å |
| 728 | L | 85.9 | Confident | 89.3 | Confident | 32 Ų | 32 | 56.3 Ų | 56.3 | 17% | 0.168 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.9 | -46 | 170.9 | -68.2 | 168.6 | 0 | 0 | 0 | 110.9 | F618 A621 L639 Y720 Y730 G731 V732 | F618-L728 HydrophobicContact CD1-CD1 3.65Å; F618-L728 HydrophobicContact CE1-CD1 3.64Å; A621-L728 HydrophobicContact CB-CB 4.45Å; L639-L728 HydrophobicContact CD2-CB 4.48Å; Y720-L728 HydrophobicContact CE1-CD1 4.48Å; L728-Y730 VanDerWaalsContact C-N 3.27Å; L728-Y730 PolarHBondContact O-N 3Å; L728-G731 PolarHBondContact O-N 3.14Å; L728-V732 PolarHBondContact O-N 3.41Å |
| 729 | L | 88.3 | Confident | 88.9 | Confident | 29 Ų | 29 | 56 Ų | 56 | 15% | 0.152 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.4 | -38.5 | 172.4 | -85.3 | 167.4 | 0 | 0 | 0 | 112.5 | L639 T643 L725 K733 | L639-L729 HydrophobicContact CB-CD2 3.93Å; L639-L729 HydrophobicContact CD2-CD2 3.76Å; L639-L729 HydrophobicContact CD2-CG 3.83Å; L639-L729 HydrophobicContact CG-CD2 3.64Å; L639-L729 HydrophobicContact CG-CG 3.88Å; T643-L729 HydrophobicContact CG2-CD1 4.01Å; L725-L729 PolarHBondContact O-N 3.36Å; L729-K733 WeakPolarHBondContact O-CB 3.21Å; L729-K733 PolarHBondContact O-N 3.15Å |
| 730 | Y | 89 | Confident | 88.6 | Confident | 163 Ų | 163 | 58.5 Ų | 58.5 | 64% | 0.639 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -65 | -45.3 | 179.8 | -175.2 | -99.2 | 0 | 0 | 0 | 112.2 | P726 S727 L728 K733 V734 | P726-Y730 WeakPolarHBondContact O-CB 3.36Å; P726-Y730 PolarHBondContact O-N 3.03Å; S727-Y730 WeakPolarHBondContact O-CB 3.16Å; S727-Y730 PolarHBondContact O-N 3.47Å; S727-Y730 VanDerWaalsContact O-N 3.17Å; L728-Y730 VanDerWaalsContact C-N 3.27Å; L728-Y730 PolarHBondContact O-N 3Å; Y730-K733 PolarHBondContact O-N 3.4Å; Y730-V734 HydrophobicContact CD1-CG2 4.1Å; Y730-V734 HydrophobicContact CE1-CG2 3.71Å; Y730-V734 HydrophobicContact CE2-CG2 4.16Å; Y730-V734 HydrophobicContact CG-CG2 4.49Å; Y730-V734 WeakPolarHBondContact O-CG2 3.2Å; Y730-V734 PolarHBondContact O-N 3.07Å |
| 731 | G | 88.8 | Confident | 88.5 | Confident | 24 Ų | 24 | 60.3 Ų | 60.3 | 25% | 0.247 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.5 | -53.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | S727 L728 K733 V734 R735 | S727-G731 PolarHBondContact O-N 2.84Å; S727-G731 VanDerWaalsContact O-N 3.16Å; L728-G731 PolarHBondContact O-N 3.14Å; G731-K733 VanDerWaalsContact C-N 3.31Å; G731-K733 PolarHBondContact O-N 3.05Å; G731-V734 PolarHBondContact O-N 3.39Å; G731-R735 PolarHBondContact O-N 3.01Å; G731-R735 VanDerWaalsContact O-N 3.12Å |
| 732 | V | 91 | Very high | 88.6 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.9 | -39.3 | 178.1 | -173.7 | 0 | 0 | 0 | 0 | 111.8 | A621 P624 A632 V635 C636 L728 V734 R735 A736 | A621-V732 HydrophobicContact CB-CG2 3.7Å; P624-V732 HydrophobicContact CB-CG2 4.48Å; P624-V732 HydrophobicContact CG-CG2 4.19Å; A632-V732 HydrophobicContact CB-CG1 4.14Å; A632-V732 WeakPolarHBondContact O-CG1 3.45Å; V635-V732 HydrophobicContact CB-CG1 4Å; V635-V732 HydrophobicContact CG1-CG1 3.88Å; V635-V732 HydrophobicContact CG1-CG2 4.1Å; C636-V732 HydrophobicContact CB-CG1 4.02Å; L728-V732 PolarHBondContact O-N 3.41Å; V732-V734 PolarHBondContact O-N 3.4Å; V732-R735 WeakPolarHBondContact O-CB 3.28Å; V732-R735 PolarHBondContact O-N 3.31Å; V732-A736 PolarHBondContact O-N 3.24Å |
| 733 | K | 91.3 | Very high | 88.6 | Confident | 96 Ų | 96 | 57.4 Ų | 57.4 | 42% | 0.417 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.2 | -38 | 177.3 | -176.4 | 172 | -178.7 | 172.9 | 0 | 112.5 | L729 Y730 G731 Q737 | L729-K733 WeakPolarHBondContact O-CB 3.21Å; L729-K733 PolarHBondContact O-N 3.15Å; Y730-K733 PolarHBondContact O-N 3.4Å; G731-K733 VanDerWaalsContact C-N 3.31Å; G731-K733 PolarHBondContact O-N 3.05Å; K733-Q737 HydrophobicContact CG-CG 4.18Å; K733-Q737 VanDerWaalsContact O-CB 3.29Å; K733-Q737 WeakPolarHBondContact O-CB 3.49Å; K733-Q737 VanDerWaalsContact O-CG 3.28Å; K733-Q737 WeakPolarHBondContact O-CG 3.35Å; K733-Q737 PolarHBondContact O-N 3.48Å |
| 734 | V | 91.4 | Very high | 88.8 | Confident | 60 Ų | 60 | 54.3 Ų | 54.3 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 174 | 167.4 | 0 | 0 | 0 | 0 | 110.9 | Y730 G731 V732 S738 | Y730-V734 HydrophobicContact CD1-CG2 4.1Å; Y730-V734 HydrophobicContact CE1-CG2 3.71Å; Y730-V734 HydrophobicContact CE2-CG2 4.16Å; Y730-V734 HydrophobicContact CG-CG2 4.49Å; Y730-V734 WeakPolarHBondContact O-CG2 3.2Å; Y730-V734 PolarHBondContact O-N 3.07Å; G731-V734 PolarHBondContact O-N 3.39Å; V732-V734 PolarHBondContact O-N 3.4Å; V734-S738 VanDerWaalsContact O-CB 3.22Å; V734-S738 WeakPolarHBondContact O-CB 3.47Å; V734-S738 PolarHBondContact O-N 2.92Å; V734-S738 PolarHBondContact O-OG 3.08Å |
| 735 | R | 91.1 | Very high | 89.1 | Confident | 25 Ų | 25 | 54.7 Ų | 54.7 | 9% | 0.094 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.2 | -53.8 | 174.2 | 178.1 | 66.9 | 169.7 | 154.4 | 0.3 | 111.6 | P624 L627 A632 G731 V732 S738 Y739 R773 | P624-R735 HydrophobicContact CB-CB 4.25Å; P624-R735 WeakPolarHBondContact O-CD 3.36Å; P624-R735 WeakPolarHBondContact O-CG 3.22Å; P624-R735 PolarHBondContact O-NE 3.15Å; L627-R735 VanDerWaalsContact O-CZ 3.24Å; L627-R735 PolarHBondContact O-NE 3.42Å; L627-R735 PolarHBondContact O-NH2 3.08Å; A632-R735 HydrophobicContact CB-CB 4.17Å; A632-R735 HydrophobicContact CB-CG 3.61Å; G731-R735 PolarHBondContact O-N 3.01Å; G731-R735 VanDerWaalsContact O-N 3.12Å; V732-R735 WeakPolarHBondContact O-CB 3.28Å; V732-R735 PolarHBondContact O-N 3.31Å; R735-S738 PolarHBondContact O-N 3.44Å; R735-Y739 PolarHBondContact O-N 2.89Å; R735-R773 PolarHBondContact NH1-O 3.18Å; R735-R773 PolarHBondContact NH2-O 3.37Å |
| 736 | A | 88.7 | Confident | 89.3 | Confident | 9 Ų | 9 | 54.2 Ų | 54.2 | 7% | 0.074 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.8 | -49.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A633 V732 S738 Y739 D740 | A633-A736 HydrophobicContact CB-CB 4.36Å; V732-A736 PolarHBondContact O-N 3.24Å; A736-S738 VanDerWaalsContact C-N 3.29Å; A736-S738 PolarHBondContact O-N 3.41Å; A736-Y739 PolarHBondContact O-N 3.42Å; A736-Y739 VanDerWaalsContact O-N 3.11Å; A736-D740 PolarHBondContact O-N 3.3Å; A736-D740 VanDerWaalsContact O-N 3.15Å |
| 737 | Q | 90.8 | Very high | 89.5 | Confident | 101 Ų | 101 | 53.7 Ų | 53.7 | 47% | 0.472 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69.7 | -24.2 | -178.9 | -65.8 | -170.6 | -43.2 | 0 | 0 | 113.1 | K733 Y739 T741 | K733-Q737 HydrophobicContact CG-CG 4.18Å; K733-Q737 VanDerWaalsContact O-CB 3.29Å; K733-Q737 WeakPolarHBondContact O-CB 3.49Å; K733-Q737 VanDerWaalsContact O-CG 3.28Å; K733-Q737 WeakPolarHBondContact O-CG 3.35Å; K733-Q737 PolarHBondContact O-N 3.48Å; Q737-Y739 VanDerWaalsContact C-N 3.3Å; Q737-T741 WeakPolarHBondContact O-CB 3.45Å; Q737-T741 VanDerWaalsContact O-CG2 3.32Å; Q737-T741 WeakPolarHBondContact O-CG2 3.19Å; Q737-T741 PolarHBondContact O-N 3.44Å; Q737-T741 PolarHBondContact O-OG1 3.36Å |
| 738 | S | 90.4 | Very high | 89.6 | Confident | 24 Ų | 24 | 56.3 Ų | 56.3 | 17% | 0.168 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.9 | -34.8 | 170.9 | -66 | 0 | 0 | 0 | 0 | 112.1 | V734 R735 A736 T741 W742 Y775 | V734-S738 VanDerWaalsContact O-CB 3.22Å; V734-S738 WeakPolarHBondContact O-CB 3.47Å; V734-S738 PolarHBondContact O-N 2.92Å; V734-S738 PolarHBondContact O-OG 3.08Å; R735-S738 PolarHBondContact O-N 3.44Å; A736-S738 VanDerWaalsContact C-N 3.29Å; A736-S738 PolarHBondContact O-N 3.41Å; S738-T741 PolarHBondContact O-OG1 3.26Å; S738-W742 VanDerWaalsContact O-CB 3.31Å; S738-W742 WeakPolarHBondContact O-CB 3.24Å; S738-W742 PolarHBondContact O-N 2.69Å; S738-W742 VanDerWaalsContact O-N 3.1Å; S738-Y775 WeakPolarHBondContact CB-OH 3.44Å; S738-Y775 PolarHBondContact O-OH 2.68Å |
| 739 | Y | 88.3 | Confident | 89.7 | Confident | 40 Ų | 40 | 54.9 Ų | 54.9 | 16% | 0.157 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -74.7 | -46.7 | 175.5 | -173.5 | -111.8 | 0 | 0 | 0 | 111.5 | V629 R735 A736 Q737 T741 W742 V743 Y775 N778 | V629-Y739 HydrophobicContact CB-CD1 3.96Å; V629-Y739 HydrophobicContact CB-CD2 4.24Å; V629-Y739 HydrophobicContact CB-CE1 4.47Å; V629-Y739 HydrophobicContact CB-CG 3.81Å; V629-Y739 HydrophobicContact CG1-CD1 4.48Å; V629-Y739 HydrophobicContact CG1-CD2 3.93Å; V629-Y739 HydrophobicContact CG1-CG 3.83Å; V629-Y739 HydrophobicContact CG2-CD1 3.84Å; V629-Y739 HydrophobicContact CG2-CD2 4.1Å; V629-Y739 HydrophobicContact CG2-CE1 3.84Å; V629-Y739 HydrophobicContact CG2-CE2 4.12Å; V629-Y739 HydrophobicContact CG2-CG 3.95Å; R735-Y739 PolarHBondContact O-N 2.89Å; A736-Y739 PolarHBondContact O-N 3.42Å; A736-Y739 VanDerWaalsContact O-N 3.11Å; Q737-Y739 VanDerWaalsContact C-N 3.3Å; Y739-T741 VanDerWaalsContact C-N 3.31Å; Y739-T741 PolarHBondContact O-N 3.47Å; Y739-W742 HydrophobicContact CD2-CE3 4.15Å; Y739-W742 AromaticContact CE2-CE3 3.88Å; Y739-W742 HydrophobicContact CE2-CE3 3.88Å; Y739-W742 AromaticContact CE2-CZ3 3.98Å; Y739-W742 HydrophobicContact CE2-CZ3 3.98Å; Y739-W742 WeakPolarHBondContact O-CB 3.36Å; Y739-W742 PolarHBondContact O-N 2.85Å; Y739-V743 HydrophobicContact CD1-CG2 4.11Å; Y739-V743 HydrophobicContact CD2-CG2 4.42Å; Y739-V743 HydrophobicContact CE1-CG2 3.77Å; Y739-V743 HydrophobicContact CE2-CG2 4.09Å; Y739-V743 HydrophobicContact CG-CG2 4.43Å; Y739-V743 WeakPolarHBondContact O-CG2 3.26Å; Y739-V743 PolarHBondContact O-N 3.17Å; Y739-Y775 AromaticContact CD2-CD1 3.72Å; Y739-Y775 HydrophobicContact CD2-CD1 3.72Å; Y739-Y775 AromaticContact CD2-CD2 3.82Å; Y739-Y775 HydrophobicContact CD2-CD2 3.82Å; Y739-Y775 AromaticContact CD2-CE1 3.87Å; Y739-Y775 HydrophobicContact CD2-CE1 3.87Å; Y739-Y775 AromaticContact CD2-CE2 4Å; Y739-Y775 HydrophobicContact CD2-CE2 4Å; Y739-Y775 AromaticContact CD2-CG 3.7Å; Y739-Y775 HydrophobicContact CD2-CG 3.7Å; Y739-Y775 HydrophobicContact CE2-CD1 4.35Å; Y739-Y775 HydrophobicContact CE2-CD2 4.21Å; Y739-Y775 AromaticContact CE2-CG 3.99Å; Y739-Y775 HydrophobicContact CE2-CG 3.99Å; Y739-Y775 HydrophobicContact CG-CE1 4.49Å; Y739-Y775 PolarHBondContact N-OH 2.83Å; Y739-N778 PolarHBondContact OH-ND2 2.74Å |
| 740 | D | 88.1 | Confident | 89.6 | Confident | 92 Ų | 92 | 55.6 Ų | 55.6 | 49% | 0.492 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -55.5 | -45.7 | 174.7 | -73.4 | -30.3 | 0 | 0 | 0 | 111.9 | A736 W742 V743 N744 | A736-D740 PolarHBondContact O-N 3.3Å; A736-D740 VanDerWaalsContact O-N 3.15Å; D740-W742 VanDerWaalsContact C-N 3.32Å; D740-W742 PolarHBondContact O-N 2.65Å; D740-V743 PolarHBondContact O-N 3.03Å; D740-N744 WeakPolarHBondContact O-CB 3.39Å; D740-N744 PolarHBondContact O-N 3.27Å; D740-N744 PolarHBondContact O-ND2 2.67Å |
| 741 | T | 91.5 | Very high | 89.3 | Confident | 76 Ų | 76 | 52.1 Ų | 52.1 | 47% | 0.466 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -71.1 | -25.7 | 178.6 | 53.8 | 0 | 0 | 0 | 0 | 112.9 | Q737 S738 Y739 R745 | Q737-T741 WeakPolarHBondContact O-CB 3.45Å; Q737-T741 VanDerWaalsContact O-CG2 3.32Å; Q737-T741 WeakPolarHBondContact O-CG2 3.19Å; Q737-T741 PolarHBondContact O-N 3.44Å; Q737-T741 PolarHBondContact O-OG1 3.36Å; S738-T741 PolarHBondContact O-OG1 3.26Å; Y739-T741 VanDerWaalsContact C-N 3.31Å; Y739-T741 PolarHBondContact O-N 3.47Å; T741-R745 WeakPolarHBondContact O-CB 3.3Å; T741-R745 WeakPolarHBondContact O-CG 3.47Å; T741-R745 PolarHBondContact O-N 3.12Å; T741-R745 VanDerWaalsContact O-N 3.12Å; T741-R745 PolarHBondContact O-NE 3.19Å |
| 742 | W | 92.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71.5 | -50 | 169.2 | 178.9 | 88.7 | 0 | 0 | 0 | 111.9 | S738 Y739 D740 N744 R745 V746 M766 A770 Y775 L780 F781 L784 | S738-W742 VanDerWaalsContact O-CB 3.31Å; S738-W742 WeakPolarHBondContact O-CB 3.24Å; S738-W742 PolarHBondContact O-N 2.69Å; S738-W742 VanDerWaalsContact O-N 3.1Å; Y739-W742 HydrophobicContact CD2-CE3 4.15Å; Y739-W742 AromaticContact CE2-CE3 3.88Å; Y739-W742 HydrophobicContact CE2-CE3 3.88Å; Y739-W742 AromaticContact CE2-CZ3 3.98Å; Y739-W742 HydrophobicContact CE2-CZ3 3.98Å; Y739-W742 WeakPolarHBondContact O-CB 3.36Å; Y739-W742 PolarHBondContact O-N 2.85Å; D740-W742 VanDerWaalsContact C-N 3.32Å; D740-W742 PolarHBondContact O-N 2.65Å; W742-N744 VanDerWaalsContact C-N 3.28Å; W742-N744 PolarHBondContact O-N 3.22Å; W742-R745 PolarHBondContact O-N 3.46Å; W742-R745 VanDerWaalsContact O-N 3.13Å; W742-V746 HydrophobicContact CD2-CG2 4.06Å; W742-V746 HydrophobicContact CG-CG2 4.4Å; W742-V746 HydrophobicContact CZ2-CG2 3.94Å; W742-V746 WeakPolarHBondContact O-CG2 3.22Å; W742-V746 PolarHBondContact O-N 3.29Å; W742-M766 PolarHBondContact NE1-O 3.3Å; W742-A770 HydrophobicContact CH2-CB 4.43Å; W742-A770 HydrophobicContact CZ2-CB 3.57Å; W742-Y775 HydrophobicContact CB-CD2 4.48Å; W742-Y775 HydrophobicContact CB-CE2 3.68Å; W742-Y775 AromaticContact CD1-CE2 3.92Å; W742-Y775 AromaticContact CD2-CD2 3.76Å; W742-Y775 HydrophobicContact CD2-CD2 3.76Å; W742-Y775 AromaticContact CD2-CE2 3.86Å; W742-Y775 HydrophobicContact CD2-CE2 3.86Å; W742-Y775 HydrophobicContact CE3-CD2 4.01Å; W742-Y775 HydrophobicContact CE3-CE2 4.33Å; W742-Y775 AromaticContact CG-CD2 3.96Å; W742-Y775 HydrophobicContact CG-CD2 3.96Å; W742-Y775 AromaticContact CG-CE2 3.54Å; W742-Y775 HydrophobicContact CG-CE2 3.54Å; W742-L780 HydrophobicContact CZ3-CD2 4.27Å; W742-F781 HydrophobicContact CH2-CB 4.26Å; W742-F781 HydrophobicContact CH2-CD2 4.21Å; W742-F781 HydrophobicContact CZ2-CD2 4.4Å; W742-L784 HydrophobicContact CZ2-CD2 4.08Å |
| 743 | V | 88.9 | Confident | 87.8 | Confident | 40 Ų | 40 | 54.9 Ų | 54.9 | 24% | 0.242 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -55.5 | -44.3 | 177.2 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | Y739 D740 T747 L780 | Y739-V743 HydrophobicContact CD1-CG2 4.11Å; Y739-V743 HydrophobicContact CD2-CG2 4.42Å; Y739-V743 HydrophobicContact CE1-CG2 3.77Å; Y739-V743 HydrophobicContact CE2-CG2 4.09Å; Y739-V743 HydrophobicContact CG-CG2 4.43Å; Y739-V743 WeakPolarHBondContact O-CG2 3.26Å; Y739-V743 PolarHBondContact O-N 3.17Å; D740-V743 PolarHBondContact O-N 3.03Å; V743-T747 WeakPolarHBondContact O-CB 3.11Å; V743-T747 PolarHBondContact O-N 2.75Å; V743-T747 PolarHBondContact O-OG1 3.07Å; V743-L780 HydrophobicContact CB-CD2 4.36Å; V743-L780 HydrophobicContact CG1-CD2 4Å; V743-L780 HydrophobicContact CG2-CD2 4.4Å |
| 744 | N | 89.9 | Confident | 86.7 | Confident | 95 Ų | 95 | 58.4 Ų | 58.4 | 51% | 0.508 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.1 | -48.8 | 175.8 | -75.3 | -66.6 | 0 | 0 | 0 | 111.9 | D740 W742 V746 T747 E748 | D740-N744 WeakPolarHBondContact O-CB 3.39Å; D740-N744 PolarHBondContact O-N 3.27Å; D740-N744 PolarHBondContact O-ND2 2.67Å; W742-N744 VanDerWaalsContact C-N 3.28Å; W742-N744 PolarHBondContact O-N 3.22Å; N744-V746 VanDerWaalsContact C-N 3.34Å; N744-V746 PolarHBondContact O-N 3.17Å; N744-T747 PolarHBondContact O-N 3.36Å; N744-E748 WeakPolarHBondContact O-CB 3.3Å; N744-E748 WeakPolarHBondContact O-CG 3.33Å; N744-E748 PolarHBondContact O-N 3.19Å |
| 745 | R | 90.4 | Very high | 85.4 | Confident | 81 Ų | 81 | 62.9 Ų | 62.9 | 31% | 0.306 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -55 | -46.1 | 176.7 | -82.2 | -176.4 | -63.8 | 151.6 | -1.6 | 112.5 | T741 W742 A749 M766 D769 | T741-R745 WeakPolarHBondContact O-CB 3.3Å; T741-R745 WeakPolarHBondContact O-CG 3.47Å; T741-R745 PolarHBondContact O-N 3.12Å; T741-R745 VanDerWaalsContact O-N 3.12Å; T741-R745 PolarHBondContact O-NE 3.19Å; W742-R745 PolarHBondContact O-N 3.46Å; W742-R745 VanDerWaalsContact O-N 3.13Å; R745-A749 VanDerWaalsContact O-CB 3.26Å; R745-A749 WeakPolarHBondContact O-CB 3.37Å; R745-A749 PolarHBondContact O-N 3.2Å; R745-M766 HydrophobicContact CB-CE 4.05Å; R745-M766 HydrophobicContact CB-SD 4.14Å; R745-D769 IonicContact CZ-OD2 3.3Å; R745-D769 IonicContact NH1-OD2 2.71Å; R745-D769 PolarHBondContact NH1-OD2 3.15Å; R745-D769 IonicContact NH2-OD2 2.96Å; R745-D769 PolarHBondContact NH2-OD2 3.44Å |
| 746 | V | 89 | Confident | 84.7 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -71.7 | -39.7 | -179.1 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | W742 N744 A749 L750 M766 L780 L784 | W742-V746 HydrophobicContact CD2-CG2 4.06Å; W742-V746 HydrophobicContact CG-CG2 4.4Å; W742-V746 HydrophobicContact CZ2-CG2 3.94Å; W742-V746 WeakPolarHBondContact O-CG2 3.22Å; W742-V746 PolarHBondContact O-N 3.29Å; N744-V746 VanDerWaalsContact C-N 3.34Å; N744-V746 PolarHBondContact O-N 3.17Å; V746-A749 PolarHBondContact O-N 2.99Å; V746-L750 HydrophobicContact CG1-CD1 3.76Å; V746-L750 HydrophobicContact CG1-CG 4.2Å; V746-L750 WeakPolarHBondContact O-CB 3.4Å; V746-L750 WeakPolarHBondContact O-CG 3.27Å; V746-L750 PolarHBondContact O-N 3.34Å; V746-M766 HydrophobicContact CG2-CB 4.04Å; V746-M766 HydrophobicContact CG2-CG 4.32Å; V746-M766 HydrophobicContact CG2-SD 3.86Å; V746-L780 HydrophobicContact CB-CD2 4.21Å; V746-L780 HydrophobicContact CB-CG 4.43Å; V746-L780 HydrophobicContact CG1-CD1 4Å; V746-L780 HydrophobicContact CG1-CD2 4.09Å; V746-L780 HydrophobicContact CG1-CG 3.76Å; V746-L784 HydrophobicContact CG1-CB 4.12Å; V746-L784 HydrophobicContact CG1-CD1 4.34Å; V746-L784 HydrophobicContact CG1-CD2 4.18Å; V746-L784 HydrophobicContact CG1-CG 4.45Å; V746-L784 HydrophobicContact CG2-CD2 3.95Å |
| 747 | T | 88.4 | Confident | 84.3 | Confident | 65 Ų | 65 | 70.3 Ų | 70.3 | 40% | 0.399 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.8 | -43.3 | 176.7 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | V743 N744 S751 | V743-T747 WeakPolarHBondContact O-CB 3.11Å; V743-T747 PolarHBondContact O-N 2.75Å; V743-T747 PolarHBondContact O-OG1 3.07Å; N744-T747 PolarHBondContact O-N 3.36Å; T747-S751 VanDerWaalsContact O-CB 3.29Å; T747-S751 WeakPolarHBondContact O-CB 3.34Å; T747-S751 PolarHBondContact O-N 3.19Å; T747-S751 PolarHBondContact O-OG 3.47Å |
| 748 | E | 88.1 | Confident | 83.9 | Confident | 131 Ų | 131 | 68.5 Ų | 68.5 | 61% | 0.612 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -60.8 | -44.3 | 172.2 | -74.5 | -178.1 | 178.9 | 0 | 0 | 111.4 | N744 A752 | N744-E748 WeakPolarHBondContact O-CB 3.3Å; N744-E748 WeakPolarHBondContact O-CG 3.33Å; N744-E748 PolarHBondContact O-N 3.19Å; E748-A752 WeakPolarHBondContact O-CA 3.31Å; E748-A752 WeakPolarHBondContact O-CB 3.46Å; E748-A752 PolarHBondContact O-N 3Å |
| 749 | A | 86.9 | Confident | 83.7 | Confident | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.008 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.5 | -41.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R745 V746 A752 K758 L763 M766 | R745-A749 VanDerWaalsContact O-CB 3.26Å; R745-A749 WeakPolarHBondContact O-CB 3.37Å; R745-A749 PolarHBondContact O-N 3.2Å; V746-A749 PolarHBondContact O-N 2.99Å; A749-A752 WeakPolarHBondContact O-CB 3.34Å; A749-K758 HydrophobicContact CB-CB 4.43Å; A749-K758 HydrophobicContact CB-CG 3.64Å; A749-L763 HydrophobicContact CB-CD2 3.79Å; A749-M766 HydrophobicContact CB-CE 4.4Å; A749-M766 HydrophobicContact CB-SD 4.25Å |
| 750 | L | 86.4 | Confident | 83.6 | Confident | 45 Ų | 45 | 70.3 Ų | 70.3 | 24% | 0.236 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -75.3 | -27.3 | 179 | -68.6 | 176.6 | 0 | 0 | 0 | 113.2 | V746 L780 K783 A787 P837 | V746-L750 HydrophobicContact CG1-CD1 3.76Å; V746-L750 HydrophobicContact CG1-CG 4.2Å; V746-L750 WeakPolarHBondContact O-CB 3.4Å; V746-L750 WeakPolarHBondContact O-CG 3.27Å; V746-L750 PolarHBondContact O-N 3.34Å; L750-L780 HydrophobicContact CD1-CD1 3.88Å; L750-K783 HydrophobicContact CD1-CB 4.05Å; L750-A787 HydrophobicContact CD2-CB 3.62Å; L750-P837 HydrophobicContact CD2-CB 4.28Å; L750-P837 HydrophobicContact CD2-CG 4.09Å |
| 751 | S | 83.2 | Confident | 83.6 | Confident | 89 Ų | 89 | 71.7 Ų | 71.7 | 62% | 0.622 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -93 | -2.2 | 175.9 | 64.7 | 0 | 0 | 0 | 0 | 114.2 | T747 S753 | T747-S751 VanDerWaalsContact O-CB 3.29Å; T747-S751 WeakPolarHBondContact O-CB 3.34Å; T747-S751 PolarHBondContact O-N 3.19Å; T747-S751 PolarHBondContact O-OG 3.47Å; S751-S753 PolarHBondContact O-N 3.21Å |
| 752 | A | 78.6 | Confident | 83.4 | Confident | 12 Ų | 12 | 71.3 Ų | 71.3 | 10% | 0.099 | 37% | 0.367 | C | S | . | . | trans | -59 | 122.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E748 A749 H756 K757 | E748-A752 WeakPolarHBondContact O-CA 3.31Å; E748-A752 WeakPolarHBondContact O-CB 3.46Å; E748-A752 PolarHBondContact O-N 3Å; A749-A752 WeakPolarHBondContact O-CB 3.34Å; A752-H756 HydrophobicContact CB-CB 4.37Å; A752-K757 HydrophobicContact CB-CB 4.41Å; A752-K757 HydrophobicContact CB-CG 3.91Å; A752-K757 WeakPolarHBondContact O-CE 3.32Å; A752-K757 WeakPolarHBondContact O-CG 3.45Å | ||
| 753 | S | 68.8 | Low | 83.2 | Confident | 70 Ų | 70 | 71.4 Ų | 71.4 | 49% | 0.49 | 37% | 0.368 | S | S | . | . | trans | -104.5 | 146.9 | 173.1 | 66.4 | 0 | 0 | 0 | 0 | 111.7 | S751 N755 H756 | S751-S753 PolarHBondContact O-N 3.21Å; S753-N755 PolarHBondContact O-N 2.9Å; S753-H756 PolarHBondContact O-N 3.49Å | ||
| 754 | F | 68.4 | Low | 83.2 | Confident | 171 Ų | 171 | 74.5 Ų | 74.5 | 75% | 0.75 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45 | -86.7 | 174.5 | -52.9 | -80.6 | 0 | 0 | 0 | 116 | ||
| 755 | N | 65.8 | Low | 83.3 | Confident | 153 Ų | 153 | 73.1 Ų | 73.1 | 82% | 0.818 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -8 | -166.5 | -59.1 | -29.5 | 0 | 0 | 0 | 114.2 | S753 | S753-N755 PolarHBondContact O-N 2.9Š|
| 756 | H | 74.6 | Confident | 83.4 | Confident | 146 Ų | 146 | 69.7 Ų | 69.7 | 68% | 0.676 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -108.1 | 2.1 | -174.1 | -63 | -81.3 | 0 | 0 | 0 | 113.8 | A752 S753 K758 | A752-H756 HydrophobicContact CB-CB 4.37Å; S753-H756 PolarHBondContact O-N 3.49Å; H756-K758 PolarHBondContact O-N 3.26Å |
| 757 | K | 80.9 | Confident | 83.5 | Confident | 44 Ų | 44 | 70.8 Ų | 70.8 | 19% | 0.191 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 130.7 | -178.4 | -69.1 | -168.9 | 166.7 | -170.7 | 0 | 110.8 | A752 V834 S835 L836 P837 V839 | A752-K757 HydrophobicContact CB-CB 4.41Å; A752-K757 HydrophobicContact CB-CG 3.91Å; A752-K757 WeakPolarHBondContact O-CE 3.32Å; A752-K757 WeakPolarHBondContact O-CG 3.45Å; K757-V834 PolarHBondContact NZ-O 2.98Å; K757-S835 PolarHBondContact NZ-O 2.82Å; K757-L836 WeakPolarHBondContact CD-O 3.45Å; K757-L836 VanDerWaalsContact CE-O 3.3Å; K757-L836 WeakPolarHBondContact CE-O 3.46Å; K757-L836 PolarHBondContact NZ-O 2.67Å; K757-P837 WeakPolarHBondContact CB-O 3.42Å; K757-P837 VanDerWaalsContact CG-O 3.27Å; K757-P837 WeakPolarHBondContact CG-O 3.46Å; K757-V839 HydrophobicContact CB-CG2 3.67Å; K757-V839 WeakPolarHBondContact O-CG2 3.37Å |
| 758 | K | 82.9 | Confident | 83.6 | Confident | 64 Ų | 64 | 72.9 Ų | 72.9 | 28% | 0.278 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 163.8 | 177.3 | -62.4 | -51.2 | -142.1 | 148.7 | 0 | 111.5 | A749 H756 E762 C838 V839 | A749-K758 HydrophobicContact CB-CB 4.43Å; A749-K758 HydrophobicContact CB-CG 3.64Å; H756-K758 PolarHBondContact O-N 3.26Å; K758-E762 WeakPolarHBondContact CA-OE2 3.03Å; K758-E762 HydrophobicContact CB-CB 4.11Å; K758-E762 WeakPolarHBondContact CB-OE2 3.37Å; K758-E762 WeakPolarHBondContact CD-OE2 3.49Å; K758-E762 WeakPolarHBondContact CE-OE1 3.29Å; K758-E762 IonicContact NZ-OE1 3.62Å; K758-E762 PolarHBondContact NZ-OE1 2.72Å; K758-C838 CarbonylContact O-C 3.48Å; K758-C838 WeakPolarHBondContact O-CA 3.5Å; K758-C838 VanDerWaalsContact O-CB 3.23Å; K758-C838 WeakPolarHBondContact O-CB 3.37Å; K758-V839 PolarHBondContact O-N 2.97Å |
| 759 | D | 86.1 | Confident | 83.7 | Confident | 69 Ų | 69 | 67.8 Ų | 67.8 | 37% | 0.369 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 170.3 | 168.2 | 80.1 | 41.5 | 0 | 0 | 0 | 112.7 | I761 E762 L763 | D759-I761 VanDerWaalsContact C-N 3.3Å; D759-I761 PolarHBondContact O-N 3.23Å; D759-I761 WeakPolarHBondContact OD1-CA 3.47Å; D759-I761 VanDerWaalsContact OD1-CB 3.28Å; D759-I761 WeakPolarHBondContact OD1-CB 3.22Å; D759-I761 PolarHBondContact OD1-N 3.45Å; D759-E762 PolarHBondContact N-OE2 3.09Å; D759-E762 PolarHBondContact O-N 2.8Å; D759-E762 PolarHBondContact OD1-N 3.24Å; D759-L763 PolarHBondContact O-N 2.72Å |
| 760 | L | 85.9 | Confident | 83.8 | Confident | 33 Ų | 33 | 67.7 Ų | 67.7 | 17% | 0.173 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -70.7 | -23.9 | -177.9 | -178.9 | 56.1 | 0 | 0 | 0 | 113 | R764 V788 A791 E792 | L760-R764 WeakPolarHBondContact O-CG 3.35Å; L760-R764 PolarHBondContact O-N 2.8Å; L760-R764 VanDerWaalsContact O-N 3.15Å; L760-V788 HydrophobicContact CD1-CG1 4.39Å; L760-A791 HydrophobicContact CD1-CB 3.69Å; L760-E792 HydrophobicContact CD2-CG 4.34Å |
| 761 | I | 87.3 | Confident | 83.8 | Confident | 120 Ų | 120 | 70.2 Ų | 70.2 | 62% | 0.615 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -74.3 | -42.5 | 175.8 | -53.6 | 175.4 | 0 | 0 | 0 | 108.7 | D759 L763 R764 V765 | D759-I761 VanDerWaalsContact C-N 3.3Å; D759-I761 PolarHBondContact O-N 3.23Å; D759-I761 WeakPolarHBondContact OD1-CA 3.47Å; D759-I761 VanDerWaalsContact OD1-CB 3.28Å; D759-I761 WeakPolarHBondContact OD1-CB 3.22Å; D759-I761 PolarHBondContact OD1-N 3.45Å; I761-L763 VanDerWaalsContact C-N 3.3Å; I761-L763 PolarHBondContact O-N 2.8Å; I761-R764 PolarHBondContact O-N 2.96Å; I761-R764 VanDerWaalsContact O-N 3.16Å; I761-V765 HydrophobicContact CG2-CG2 4.35Å; I761-V765 WeakPolarHBondContact O-CG2 3.28Å; I761-V765 PolarHBondContact O-N 3.4Å |
| 762 | E | 87.7 | Confident | 84.1 | Confident | 69 Ų | 69 | 72.3 Ų | 72.3 | 32% | 0.322 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -57.1 | -40.7 | 173 | -68.5 | -176.6 | 99.2 | 0 | 0 | 112.4 | K758 D759 M766 | K758-E762 WeakPolarHBondContact CA-OE2 3.03Å; K758-E762 HydrophobicContact CB-CB 4.11Å; K758-E762 WeakPolarHBondContact CB-OE2 3.37Å; K758-E762 WeakPolarHBondContact CD-OE2 3.49Å; K758-E762 WeakPolarHBondContact CE-OE1 3.29Å; K758-E762 IonicContact NZ-OE1 3.62Å; K758-E762 PolarHBondContact NZ-OE1 2.72Å; D759-E762 PolarHBondContact N-OE2 3.09Å; D759-E762 PolarHBondContact O-N 2.8Å; D759-E762 PolarHBondContact OD1-N 3.24Å; E762-M766 WeakPolarHBondContact O-CG 3.15Å; E762-M766 PolarHBondContact O-N 3.36Å; E762-M766 VanDerWaalsContact O-N 3.1Å |
| 763 | L | 89 | Confident | 84.4 | Confident | 1 Ų | 1 | 76.1 Ų | 76.1 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -68.2 | -37.3 | 175.4 | -69.1 | -170.6 | 0 | 0 | 0 | 113.2 | A749 D759 I761 M766 L767 L784 V788 C838 | A749-L763 HydrophobicContact CB-CD2 3.79Å; D759-L763 PolarHBondContact O-N 2.72Å; I761-L763 VanDerWaalsContact C-N 3.3Å; I761-L763 PolarHBondContact O-N 2.8Å; L763-M766 PolarHBondContact O-N 2.75Å; L763-L767 PolarHBondContact O-N 3.21Å; L763-L784 HydrophobicContact CB-CD1 4.32Å; L763-L784 HydrophobicContact CD2-CD1 3.96Å; L763-V788 HydrophobicContact CB-CG2 3.78Å; L763-C838 HydrophobicContact CD1-CB 3.71Å; L763-C838 HydrophobicContact CG-CB 4.34Å |
| 764 | R | 89.3 | Confident | 85.2 | Confident | 105 Ų | 105 | 79.8 Ų | 79.8 | 40% | 0.396 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64 | -47.7 | 174 | -73.7 | -179.9 | -166.1 | -78.7 | 2.9 | 111.7 | L760 I761 M766 L767 E768 V788 E792 | L760-R764 WeakPolarHBondContact O-CG 3.35Å; L760-R764 PolarHBondContact O-N 2.8Å; L760-R764 VanDerWaalsContact O-N 3.15Å; I761-R764 PolarHBondContact O-N 2.96Å; I761-R764 VanDerWaalsContact O-N 3.16Å; R764-M766 PolarHBondContact O-N 2.92Å; R764-L767 WeakPolarHBondContact O-CA 3.35Å; R764-L767 WeakPolarHBondContact O-CB 3.47Å; R764-L767 PolarHBondContact O-N 3.12Å; R764-E768 WeakPolarHBondContact O-CB 3.32Å; R764-E768 PolarHBondContact O-N 3.14Å; R764-V788 HydrophobicContact CG-CG1 4.32Å; R764-E792 IonicContact CZ-OE1 3.85Å; R764-E792 IonicContact NH1-OE1 2.79Å; R764-E792 PolarHBondContact NH1-OE1 2.86Å; R764-E792 VanDerWaalsContact NH2-CG 3.35Å; R764-E792 IonicContact NH2-OE1 3.2Å; R764-E792 PolarHBondContact NH2-OE1 2.8Å |
| 765 | V | 92.7 | Very high | 86 | Confident | 67 Ų | 67 | 72.1 Ų | 72.1 | 41% | 0.406 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.6 | -30.7 | 178.9 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | I761 D769 | I761-V765 HydrophobicContact CG2-CG2 4.35Å; I761-V765 WeakPolarHBondContact O-CG2 3.28Å; I761-V765 PolarHBondContact O-N 3.4Å; V765-D769 VanDerWaalsContact O-CB 3.23Å; V765-D769 WeakPolarHBondContact O-CB 3.46Å; V765-D769 PolarHBondContact O-N 3.47Å |
| 766 | M | 91.8 | Very high | 86.6 | Confident | 8 Ų | 8 | 67 Ų | 67 | 4% | 0.039 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.7 | -27.8 | 170.6 | -71.4 | 179.5 | -158.8 | 0 | 0 | 113.9 | W742 R745 V746 A749 E762 L763 R764 L784 | W742-M766 PolarHBondContact NE1-O 3.3Å; R745-M766 HydrophobicContact CB-CE 4.05Å; R745-M766 HydrophobicContact CB-SD 4.14Å; V746-M766 HydrophobicContact CG2-CB 4.04Å; V746-M766 HydrophobicContact CG2-CG 4.32Å; V746-M766 HydrophobicContact CG2-SD 3.86Å; A749-M766 HydrophobicContact CB-CE 4.4Å; A749-M766 HydrophobicContact CB-SD 4.25Å; E762-M766 WeakPolarHBondContact O-CG 3.15Å; E762-M766 PolarHBondContact O-N 3.36Å; E762-M766 VanDerWaalsContact O-N 3.1Å; L763-M766 PolarHBondContact O-N 2.75Å; R764-M766 PolarHBondContact O-N 2.92Å; M766-L784 HydrophobicContact CB-CD2 4.02Å |
| 767 | L | 90.9 | Very high | 86.7 | Confident | 23 Ų | 23 | 64.9 Ų | 64.9 | 12% | 0.12 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -77.2 | -45.1 | 175.2 | -171.9 | 65.1 | 0 | 0 | 0 | 110.4 | L763 R764 D769 A770 E771 F781 L784 R785 | L763-L767 PolarHBondContact O-N 3.21Å; R764-L767 WeakPolarHBondContact O-CA 3.35Å; R764-L767 WeakPolarHBondContact O-CB 3.47Å; R764-L767 PolarHBondContact O-N 3.12Å; L767-D769 PolarHBondContact O-N 2.74Å; L767-A770 WeakPolarHBondContact O-CA 3.34Å; L767-A770 WeakPolarHBondContact O-CB 3.08Å; L767-A770 PolarHBondContact O-N 3.1Å; L767-E771 PolarHBondContact O-N 3.26Å; L767-F781 HydrophobicContact CD1-CD1 4.16Å; L767-F781 HydrophobicContact CD1-CE1 3.51Å; L767-F781 HydrophobicContact CD1-CZ 3.78Å; L767-L784 HydrophobicContact CB-CD2 4.18Å; L767-L784 HydrophobicContact CD1-CD2 4.22Å; L767-L784 HydrophobicContact CD1-CG 4.37Å; L767-R785 HydrophobicContact CD1-CB 4.27Å |
| 768 | E | 91.2 | Very high | 86.6 | Confident | 109 Ų | 109 | 65.1 Ų | 65.1 | 51% | 0.509 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.6 | -45.9 | 173.2 | -167.6 | 171.3 | -148.8 | 0 | 0 | 111.4 | R764 A770 E771 D772 | R764-E768 WeakPolarHBondContact O-CB 3.32Å; R764-E768 PolarHBondContact O-N 3.14Å; E768-A770 PolarHBondContact O-N 3.4Å; E768-E771 PolarHBondContact O-N 2.9Å; E768-D772 WeakPolarHBondContact O-CB 3.13Å; E768-D772 PolarHBondContact O-N 3.33Å |
| 769 | D | 89.6 | Confident | 86.5 | Confident | 24 Ų | 24 | 66.2 Ų | 66.2 | 13% | 0.128 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -53 | -23.8 | 171.5 | -119.3 | -12 | 0 | 0 | 0 | 113.8 | R745 V765 L767 R773 | R745-D769 IonicContact CZ-OD2 3.3Å; R745-D769 IonicContact NH1-OD2 2.71Å; R745-D769 PolarHBondContact NH1-OD2 3.15Å; R745-D769 IonicContact NH2-OD2 2.96Å; R745-D769 PolarHBondContact NH2-OD2 3.44Å; V765-D769 VanDerWaalsContact O-CB 3.23Å; V765-D769 WeakPolarHBondContact O-CB 3.46Å; V765-D769 PolarHBondContact O-N 3.47Å; L767-D769 PolarHBondContact O-N 2.74Å; D769-R773 WeakPolarHBondContact O-CB 3.47Å; D769-R773 WeakPolarHBondContact O-CD 3.39Å; D769-R773 WeakPolarHBondContact O-CG 3.35Å; D769-R773 PolarHBondContact O-NE 3.25Å; D769-R773 IonicContact OD1-CZ 3.25Å; D769-R773 VanDerWaalsContact OD1-CZ 3.26Å; D769-R773 IonicContact OD1-NE 2.7Å; D769-R773 PolarHBondContact OD1-NE 3.22Å; D769-R773 IonicContact OD1-NH2 3.94Å; D769-R773 PolarHBondContact OD1-NH2 3.34Å; D769-R773 IonicContact OD2-NH2 3.13Å |
| 770 | A | 88.4 | Confident | 86.4 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -99.1 | -34.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | W742 L767 E768 K774 Y775 F781 | W742-A770 HydrophobicContact CH2-CB 4.43Å; W742-A770 HydrophobicContact CZ2-CB 3.57Å; L767-A770 WeakPolarHBondContact O-CA 3.34Å; L767-A770 WeakPolarHBondContact O-CB 3.08Å; L767-A770 PolarHBondContact O-N 3.1Å; E768-A770 PolarHBondContact O-N 3.4Å; A770-K774 PolarHBondContact O-N 3.12Å; A770-Y775 HydrophobicContact CB-CD2 3.74Å; A770-Y775 HydrophobicContact CB-CG 4.36Å; A770-Y775 PolarHBondContact O-N 3.32Å; A770-F781 HydrophobicContact CB-CD2 3.96Å; A770-F781 HydrophobicContact CB-CE2 3.48Å; A770-F781 VanDerWaalsContact CB-CE2 3.48Å; A770-F781 HydrophobicContact CB-CZ 4.33Å |
| 771 | E | 87.6 | Confident | 86.5 | Confident | 97 Ų | 97 | 63.1 Ų | 63.1 | 45% | 0.453 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -71.8 | -48.4 | 176.4 | -68.1 | 178.8 | 162.7 | 0 | 0 | 110.2 | L767 E768 R773 K774 F781 R785 | L767-E771 PolarHBondContact O-N 3.26Å; E768-E771 PolarHBondContact O-N 2.9Å; E771-R773 VanDerWaalsContact C-N 3.31Å; E771-R773 PolarHBondContact O-N 3.34Å; E771-K774 PolarHBondContact O-N 3.21Å; E771-F781 HydrophobicContact CG-CE2 4.4Å; E771-F781 HydrophobicContact CG-CZ 3.69Å; E771-R785 IonicContact OE1-CZ 2.69Å; E771-R785 IonicContact OE1-NH2 2.73Å; E771-R785 PolarHBondContact OE1-NH2 3.32Å |
| 772 | D | 88 | Confident | 86.4 | Confident | 133 Ų | 133 | 62.4 Ų | 62.4 | 71% | 0.711 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -41.4 | 175 | -80.1 | -13.4 | 0 | 0 | 0 | 112.6 | E768 K774 | E768-D772 WeakPolarHBondContact O-CB 3.13Å; E768-D772 PolarHBondContact O-N 3.33Å; D772-K774 VanDerWaalsContact C-N 3.3Å; D772-K774 PolarHBondContact O-N 3.38Å |
| 773 | R | 86.2 | Confident | 86.4 | Confident | 92 Ų | 92 | 65 Ų | 65 | 35% | 0.347 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 6.3 | -176.4 | -58 | -179.6 | -160.3 | -129.7 | 3.9 | 113.2 | R735 D769 E771 Y775 | R735-R773 PolarHBondContact NH1-O 3.18Å; R735-R773 PolarHBondContact NH2-O 3.37Å; D769-R773 WeakPolarHBondContact O-CB 3.47Å; D769-R773 WeakPolarHBondContact O-CD 3.39Å; D769-R773 WeakPolarHBondContact O-CG 3.35Å; D769-R773 PolarHBondContact O-NE 3.25Å; D769-R773 IonicContact OD1-CZ 3.25Å; D769-R773 VanDerWaalsContact OD1-CZ 3.26Å; D769-R773 IonicContact OD1-NE 2.7Å; D769-R773 PolarHBondContact OD1-NE 3.22Å; D769-R773 IonicContact OD1-NH2 3.94Å; D769-R773 PolarHBondContact OD1-NH2 3.34Å; D769-R773 IonicContact OD2-NH2 3.13Å; E771-R773 VanDerWaalsContact C-N 3.31Å; E771-R773 PolarHBondContact O-N 3.34Å; R773-Y775 VanDerWaalsContact C-N 3.33Å; R773-Y775 HydrophobicContact CB-CD1 3.99Å; R773-Y775 HydrophobicContact CB-CE1 3.72Å; R773-Y775 HydrophobicContact CB-CE2 4.38Å; R773-Y775 HydrophobicContact CB-CG 4.46Å; R773-Y775 VanDerWaalsContact CD-OH 3.29Å; R773-Y775 WeakPolarHBondContact CD-OH 3.41Å; R773-Y775 PolarHBondContact O-N 2.67Å |
| 774 | K | 84.2 | Confident | 86.5 | Confident | 148 Ų | 148 | 65 Ų | 65 | 64% | 0.643 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 50 | -179.4 | -53.2 | 177.4 | -176.3 | 176.6 | 0 | 112.6 | A770 E771 D772 | A770-K774 PolarHBondContact O-N 3.12Å; E771-K774 PolarHBondContact O-N 3.21Å; D772-K774 VanDerWaalsContact C-N 3.3Å; D772-K774 PolarHBondContact O-N 3.38Å |
| 775 | Y | 86.4 | Confident | 86.5 | Confident | 10 Ų | 10 | 63.9 Ų | 63.9 | 4% | 0.039 | 30% | 0.301 | C | S | . | . | trans | -77.1 | 145.4 | 174.3 | -69.2 | -18.3 | 0 | 0 | 0 | 111 | V629 S738 Y739 W742 A770 R773 | V629-Y775 HydrophobicContact CG1-CD1 3.7Å; V629-Y775 HydrophobicContact CG1-CE1 3.85Å; S738-Y775 WeakPolarHBondContact CB-OH 3.44Å; S738-Y775 PolarHBondContact O-OH 2.68Å; Y739-Y775 AromaticContact CD2-CD1 3.72Å; Y739-Y775 HydrophobicContact CD2-CD1 3.72Å; Y739-Y775 AromaticContact CD2-CD2 3.82Å; Y739-Y775 HydrophobicContact CD2-CD2 3.82Å; Y739-Y775 AromaticContact CD2-CE1 3.87Å; Y739-Y775 HydrophobicContact CD2-CE1 3.87Å; Y739-Y775 AromaticContact CD2-CE2 4Å; Y739-Y775 HydrophobicContact CD2-CE2 4Å; Y739-Y775 AromaticContact CD2-CG 3.7Å; Y739-Y775 HydrophobicContact CD2-CG 3.7Å; Y739-Y775 HydrophobicContact CE2-CD1 4.35Å; Y739-Y775 HydrophobicContact CE2-CD2 4.21Å; Y739-Y775 AromaticContact CE2-CG 3.99Å; Y739-Y775 HydrophobicContact CE2-CG 3.99Å; Y739-Y775 HydrophobicContact CG-CE1 4.49Å; Y739-Y775 PolarHBondContact N-OH 2.83Å; W742-Y775 HydrophobicContact CB-CD2 4.48Å; W742-Y775 HydrophobicContact CB-CE2 3.68Å; W742-Y775 AromaticContact CD1-CE2 3.92Å; W742-Y775 AromaticContact CD2-CD2 3.76Å; W742-Y775 HydrophobicContact CD2-CD2 3.76Å; W742-Y775 AromaticContact CD2-CE2 3.86Å; W742-Y775 HydrophobicContact CD2-CE2 3.86Å; W742-Y775 HydrophobicContact CE3-CD2 4.01Å; W742-Y775 HydrophobicContact CE3-CE2 4.33Å; W742-Y775 AromaticContact CG-CD2 3.96Å; W742-Y775 HydrophobicContact CG-CD2 3.96Å; W742-Y775 AromaticContact CG-CE2 3.54Å; W742-Y775 HydrophobicContact CG-CE2 3.54Å; A770-Y775 HydrophobicContact CB-CD2 3.74Å; A770-Y775 HydrophobicContact CB-CG 4.36Å; A770-Y775 PolarHBondContact O-N 3.32Å; R773-Y775 VanDerWaalsContact C-N 3.33Å; R773-Y775 HydrophobicContact CB-CD1 3.99Å; R773-Y775 HydrophobicContact CB-CE1 3.72Å; R773-Y775 HydrophobicContact CB-CE2 4.38Å; R773-Y775 HydrophobicContact CB-CG 4.46Å; R773-Y775 VanDerWaalsContact CD-OH 3.29Å; R773-Y775 WeakPolarHBondContact CD-OH 3.41Å; R773-Y775 PolarHBondContact O-N 2.67Å | ||
| 776 | P | 78 | Confident | 86.3 | Confident | 45 Ų | 45 | 65.1 Ų | 65.1 | 29% | 0.292 | 31% | 0.306 | S | S | . | . | trans | -67.6 | 138.6 | -176.3 | 25.9 | -34.6 | 0 | 0 | 0 | 112.9 | V629 N778 | V629-P776 HydrophobicContact CG2-CG 4Å; P776-N778 PolarHBondContact O-N 3.05Å | ||
| 777 | E | 77.7 | Confident | 86.2 | Confident | 101 Ų | 101 | 65.2 Ų | 65.2 | 47% | 0.472 | 31% | 0.308 | S | S | . | . | trans | -73.1 | 55.9 | -178.5 | -70.4 | -149.2 | -177.1 | 0 | 0 | 114.5 | F781 R782 R785 | E777-F781 HydrophobicContact CG-CD1 4.14Å; E777-F781 HydrophobicContact CG-CD2 4.49Å; E777-F781 HydrophobicContact CG-CE1 4.22Å; E777-F781 HydrophobicContact CG-CG 4.32Å; E777-F781 HydrophobicContact CG-CZ 4.39Å; E777-R782 PolarHBondContact O-NE 2.94Å; E777-R785 IonicContact OE1-CZ 2.69Å; E777-R785 VanDerWaalsContact OE1-CZ 3.24Å; E777-R785 IonicContact OE1-NH1 2.78Å; E777-R785 PolarHBondContact OE1-NH1 3.35Å; E777-R785 IonicContact OE1-NH2 2.7Å; E777-R785 PolarHBondContact OE1-NH2 2.68Å; E777-R785 IonicContact OE2-CZ 3.87Å; E777-R785 IonicContact OE2-NH1 2.71Å; E777-R785 PolarHBondContact OE2-NH1 3.17Å; E777-R785 IonicContact OE2-NH2 3.13Å | ||
| 778 | N | 78.4 | Confident | 86.1 | Confident | 49 Ų | 49 | 64.4 Ų | 64.4 | 26% | 0.262 | 30% | 0.304 | S | S | . | . | trans | -69.4 | 178.6 | 176.6 | 69.5 | 31.5 | 0 | 0 | 0 | 112.9 | Y739 P776 L780 F781 R782 | Y739-N778 PolarHBondContact OH-ND2 2.74Å; P776-N778 PolarHBondContact O-N 3.05Å; N778-L780 PolarHBondContact O-N 2.72Å; N778-L780 VanDerWaalsContact O-N 3.16Å; N778-L780 WeakPolarHBondContact OD1-CA 3.45Å; N778-L780 VanDerWaalsContact OD1-CB 3.24Å; N778-L780 WeakPolarHBondContact OD1-CB 3.41Å; N778-L780 PolarHBondContact OD1-N 3.23Å; N778-F781 WeakPolarHBondContact O-CB 3.36Å; N778-F781 PolarHBondContact O-N 2.92Å; N778-F781 VanDerWaalsContact O-N 3.16Å; N778-F781 PolarHBondContact OD1-N 3.46Å; N778-R782 PolarHBondContact O-N 3.42Å | ||
| 779 | D | 79.9 | Confident | 86 | Confident | 87 Ų | 87 | 65.4 Ų | 65.4 | 47% | 0.465 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.3 | -26.2 | 179.4 | -66 | -19.2 | 0 | 0 | 0 | 113.9 | R782 K783 | D779-R782 IonicContact OD1-CZ 2.8Å; D779-R782 IonicContact OD1-NH1 2.68Å; D779-R782 IonicContact OD1-NH2 2.64Å; D779-R782 PolarHBondContact OD1-NH2 2.97Å; D779-K783 VanDerWaalsContact O-CB 3.3Å; D779-K783 WeakPolarHBondContact O-CB 3.39Å; D779-K783 VanDerWaalsContact O-CD 3.22Å; D779-K783 WeakPolarHBondContact O-CD 3.31Å; D779-K783 WeakPolarHBondContact O-CG 3.41Å; D779-K783 PolarHBondContact O-N 3.24Å |
| 780 | L | 85.3 | Confident | 85.9 | Confident | 34 Ų | 34 | 68 Ų | 68 | 18% | 0.178 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -76.4 | -41.5 | 177.7 | -170.5 | 70.2 | 0 | 0 | 0 | 110.7 | W742 V743 V746 L750 N778 K783 L784 | W742-L780 HydrophobicContact CZ3-CD2 4.27Å; V743-L780 HydrophobicContact CB-CD2 4.36Å; V743-L780 HydrophobicContact CG1-CD2 4Å; V743-L780 HydrophobicContact CG2-CD2 4.4Å; V746-L780 HydrophobicContact CB-CD2 4.21Å; V746-L780 HydrophobicContact CB-CG 4.43Å; V746-L780 HydrophobicContact CG1-CD1 4Å; V746-L780 HydrophobicContact CG1-CD2 4.09Å; V746-L780 HydrophobicContact CG1-CG 3.76Å; L750-L780 HydrophobicContact CD1-CD1 3.88Å; N778-L780 PolarHBondContact O-N 2.72Å; N778-L780 VanDerWaalsContact O-N 3.16Å; N778-L780 WeakPolarHBondContact OD1-CA 3.45Å; N778-L780 VanDerWaalsContact OD1-CB 3.24Å; N778-L780 WeakPolarHBondContact OD1-CB 3.41Å; N778-L780 PolarHBondContact OD1-N 3.23Å; L780-K783 PolarHBondContact O-N 3.23Å; L780-L784 WeakPolarHBondContact O-CB 3.31Å; L780-L784 PolarHBondContact O-N 3.31Å |
| 781 | F | 86.2 | Confident | 85.8 | Confident | 3 Ų | 3 | 68 Ų | 68 | 1% | 0.013 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.2 | -51.4 | 171.9 | -166.1 | -61.5 | 0 | 0 | 0 | 110.5 | W742 L767 A770 E771 E777 N778 K783 L784 R785 | W742-F781 HydrophobicContact CH2-CB 4.26Å; W742-F781 HydrophobicContact CH2-CD2 4.21Å; W742-F781 HydrophobicContact CZ2-CD2 4.4Å; L767-F781 HydrophobicContact CD1-CD1 4.16Å; L767-F781 HydrophobicContact CD1-CE1 3.51Å; L767-F781 HydrophobicContact CD1-CZ 3.78Å; A770-F781 HydrophobicContact CB-CD2 3.96Å; A770-F781 HydrophobicContact CB-CE2 3.48Å; A770-F781 VanDerWaalsContact CB-CE2 3.48Å; A770-F781 HydrophobicContact CB-CZ 4.33Å; E771-F781 HydrophobicContact CG-CE2 4.4Å; E771-F781 HydrophobicContact CG-CZ 3.69Å; E777-F781 HydrophobicContact CG-CD1 4.14Å; E777-F781 HydrophobicContact CG-CD2 4.49Å; E777-F781 HydrophobicContact CG-CE1 4.22Å; E777-F781 HydrophobicContact CG-CG 4.32Å; E777-F781 HydrophobicContact CG-CZ 4.39Å; N778-F781 WeakPolarHBondContact O-CB 3.36Å; N778-F781 PolarHBondContact O-N 2.92Å; N778-F781 VanDerWaalsContact O-N 3.16Å; N778-F781 PolarHBondContact OD1-N 3.46Å; F781-K783 PolarHBondContact O-N 2.76Å; F781-L784 WeakPolarHBondContact O-CB 3.39Å; F781-L784 PolarHBondContact O-N 2.81Å; F781-L784 VanDerWaalsContact O-N 3.1Å; F781-R785 PolarHBondContact O-N 2.9Å |
| 782 | R | 85.5 | Confident | 85.7 | Confident | 105 Ų | 105 | 66.8 Ų | 66.8 | 40% | 0.396 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 178.4 | -80 | -179 | -80.8 | 123.3 | 8.4 | 112 | E777 N778 D779 L784 R785 D786 | E777-R782 PolarHBondContact O-NE 2.94Å; N778-R782 PolarHBondContact O-N 3.42Å; D779-R782 IonicContact OD1-CZ 2.8Å; D779-R782 IonicContact OD1-NH1 2.68Å; D779-R782 IonicContact OD1-NH2 2.64Å; D779-R782 PolarHBondContact OD1-NH2 2.97Å; R782-L784 VanDerWaalsContact C-N 3.33Å; R782-L784 PolarHBondContact O-N 2.95Å; R782-R785 PolarHBondContact O-N 3.16Å; R782-D786 WeakPolarHBondContact O-CB 3.45Å; R782-D786 PolarHBondContact O-N 3.22Å |
| 783 | K | 88.2 | Confident | 85.6 | Confident | 124 Ų | 124 | 64.3 Ų | 64.3 | 54% | 0.539 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.5 | -35 | 172.8 | -75.2 | 164.4 | -168.7 | 160.1 | 0 | 113.6 | L750 D779 L780 F781 A787 | L750-K783 HydrophobicContact CD1-CB 4.05Å; D779-K783 VanDerWaalsContact O-CB 3.3Å; D779-K783 WeakPolarHBondContact O-CB 3.39Å; D779-K783 VanDerWaalsContact O-CD 3.22Å; D779-K783 WeakPolarHBondContact O-CD 3.31Å; D779-K783 WeakPolarHBondContact O-CG 3.41Å; D779-K783 PolarHBondContact O-N 3.24Å; L780-K783 PolarHBondContact O-N 3.23Å; F781-K783 PolarHBondContact O-N 2.76Å; K783-A787 WeakPolarHBondContact O-CB 3.03Å; K783-A787 PolarHBondContact O-N 2.82Å |
| 784 | L | 90.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.6 | -48 | 173.9 | 178 | 62.6 | 0 | 0 | 0 | 111.1 | W742 V746 L763 M766 L767 L780 F781 R782 D786 A787 V788 | W742-L784 HydrophobicContact CZ2-CD2 4.08Å; V746-L784 HydrophobicContact CG1-CB 4.12Å; V746-L784 HydrophobicContact CG1-CD1 4.34Å; V746-L784 HydrophobicContact CG1-CD2 4.18Å; V746-L784 HydrophobicContact CG1-CG 4.45Å; V746-L784 HydrophobicContact CG2-CD2 3.95Å; L763-L784 HydrophobicContact CB-CD1 4.32Å; L763-L784 HydrophobicContact CD2-CD1 3.96Å; M766-L784 HydrophobicContact CB-CD2 4.02Å; L767-L784 HydrophobicContact CB-CD2 4.18Å; L767-L784 HydrophobicContact CD1-CD2 4.22Å; L767-L784 HydrophobicContact CD1-CG 4.37Å; L780-L784 WeakPolarHBondContact O-CB 3.31Å; L780-L784 PolarHBondContact O-N 3.31Å; F781-L784 WeakPolarHBondContact O-CB 3.39Å; F781-L784 PolarHBondContact O-N 2.81Å; F781-L784 VanDerWaalsContact O-N 3.1Å; R782-L784 VanDerWaalsContact C-N 3.33Å; R782-L784 PolarHBondContact O-N 2.95Å; L784-D786 VanDerWaalsContact C-N 3.35Å; L784-D786 PolarHBondContact O-N 2.76Å; L784-A787 PolarHBondContact O-N 2.89Å; L784-V788 HydrophobicContact CD1-CG2 4.32Å; L784-V788 WeakPolarHBondContact O-CG2 3.31Å; L784-V788 PolarHBondContact O-N 2.68Å |
| 785 | R | 90 | Very high | 85.5 | Confident | 83 Ų | 83 | 53.6 Ų | 53.6 | 31% | 0.313 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.7 | -44.5 | 176.9 | -173.4 | -179.4 | -84.2 | 157.4 | -4.3 | 111.4 | L767 E771 E777 F781 R782 K789 | L767-R785 HydrophobicContact CD1-CB 4.27Å; E771-R785 IonicContact OE1-CZ 2.69Å; E771-R785 IonicContact OE1-NH2 2.73Å; E771-R785 PolarHBondContact OE1-NH2 3.32Å; E777-R785 IonicContact OE1-CZ 2.69Å; E777-R785 VanDerWaalsContact OE1-CZ 3.24Å; E777-R785 IonicContact OE1-NH1 2.78Å; E777-R785 PolarHBondContact OE1-NH1 3.35Å; E777-R785 IonicContact OE1-NH2 2.7Å; E777-R785 PolarHBondContact OE1-NH2 2.68Å; E777-R785 IonicContact OE2-CZ 3.87Å; E777-R785 IonicContact OE2-NH1 2.71Å; E777-R785 PolarHBondContact OE2-NH1 3.17Å; E777-R785 IonicContact OE2-NH2 3.13Å; F781-R785 PolarHBondContact O-N 2.9Å; R782-R785 PolarHBondContact O-N 3.16Å; R785-K789 WeakPolarHBondContact O-CB 3.45Å; R785-K789 PolarHBondContact O-N 3.12Å; R785-K789 VanDerWaalsContact O-N 3.09Å |
| 786 | D | 88.6 | Confident | 85.2 | Confident | 93 Ų | 93 | 56.8 Ų | 56.8 | 50% | 0.497 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68 | -40.5 | 175.7 | -74.1 | -34.2 | 0 | 0 | 0 | 112.8 | R782 L784 K789 E790 | R782-D786 WeakPolarHBondContact O-CB 3.45Å; R782-D786 PolarHBondContact O-N 3.22Å; L784-D786 VanDerWaalsContact C-N 3.35Å; L784-D786 PolarHBondContact O-N 2.76Å; D786-K789 PolarHBondContact O-N 3.18Å; D786-E790 PolarHBondContact O-N 3.43Å |
| 787 | A | 89 | Confident | 85.3 | Confident | 10 Ų | 10 | 57.5 Ų | 57.5 | 8% | 0.083 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66 | -38.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L750 K783 L784 A791 P837 | L750-A787 HydrophobicContact CD2-CB 3.62Å; K783-A787 WeakPolarHBondContact O-CB 3.03Å; K783-A787 PolarHBondContact O-N 2.82Å; L784-A787 PolarHBondContact O-N 2.89Å; A787-A791 WeakPolarHBondContact O-CB 3.41Å; A787-A791 PolarHBondContact O-N 3.17Å; A787-P837 HydrophobicContact CB-CG 3.88Å |
| 788 | V | 89.8 | Confident | 85.4 | Confident | 6 Ų | 6 | 52.7 Ų | 52.7 | 4% | 0.036 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.7 | -47.6 | 171.4 | 169.1 | 0 | 0 | 0 | 0 | 109.8 | L760 L763 R764 L784 A791 E792 | L760-V788 HydrophobicContact CD1-CG1 4.39Å; L763-V788 HydrophobicContact CB-CG2 3.78Å; R764-V788 HydrophobicContact CG-CG1 4.32Å; L784-V788 HydrophobicContact CD1-CG2 4.32Å; L784-V788 WeakPolarHBondContact O-CG2 3.31Å; L784-V788 PolarHBondContact O-N 2.68Å; V788-A791 CarbonylContact O-C 3.57Å; V788-A791 WeakPolarHBondContact O-CB 3.33Å; V788-A791 PolarHBondContact O-N 3.1Å; V788-E792 HydrophobicContact CG1-CG 4.4Å; V788-E792 WeakPolarHBondContact O-CB 3.26Å; V788-E792 WeakPolarHBondContact O-CG 3.39Å; V788-E792 PolarHBondContact O-N 2.98Å |
| 789 | K | 88.6 | Confident | 85.4 | Confident | 130 Ų | 130 | 56.2 Ų | 56.2 | 57% | 0.565 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -64.1 | -40.2 | -179.9 | -176.5 | -179.5 | 177.6 | -175.6 | 0 | 113.5 | R785 D786 T793 | R785-K789 WeakPolarHBondContact O-CB 3.45Å; R785-K789 PolarHBondContact O-N 3.12Å; R785-K789 VanDerWaalsContact O-N 3.09Å; D786-K789 PolarHBondContact O-N 3.18Å; K789-T793 WeakPolarHBondContact O-CB 3.39Å; K789-T793 PolarHBondContact O-N 2.82Å; K789-T793 VanDerWaalsContact O-N 3.07Å; K789-T793 PolarHBondContact O-OG1 3.1Å |
| 790 | E | 87.5 | Confident | 85.2 | Confident | 79 Ų | 79 | 56.5 Ų | 56.5 | 37% | 0.369 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.2 | -44.3 | 172.1 | -162 | -165.5 | 172.3 | 0 | 0 | 110.7 | D786 E792 T793 C794 Q832 L836 | D786-E790 PolarHBondContact O-N 3.43Å; E790-E792 PolarHBondContact O-N 3.45Å; E790-T793 WeakPolarHBondContact O-CB 3.07Å; E790-T793 PolarHBondContact O-N 2.89Å; E790-T793 VanDerWaalsContact O-N 3.12Å; E790-C794 WeakPolarHBondContact O-CB 3.15Å; E790-C794 PolarHBondContact O-N 2.79Å; E790-Q832 PolarHBondContact OE1-NE2 3.24Å; E790-L836 HydrophobicContact CB-CD2 4.18Å; E790-L836 VanDerWaalsContact CD-CD2 3.47Å; E790-L836 HydrophobicContact CG-CD2 3.81Å |
| 791 | A | 86.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.6 | -37.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L760 A787 V788 G795 C838 I840 | L760-A791 HydrophobicContact CD1-CB 3.69Å; A787-A791 WeakPolarHBondContact O-CB 3.41Å; A787-A791 PolarHBondContact O-N 3.17Å; V788-A791 CarbonylContact O-C 3.57Å; V788-A791 WeakPolarHBondContact O-CB 3.33Å; V788-A791 PolarHBondContact O-N 3.1Å; A791-G795 WeakPolarHBondContact O-CA 3.44Å; A791-G795 PolarHBondContact O-N 3.45Å; A791-C838 WeakPolarHBondContact CB-SG 3.39Å; A791-I840 HydrophobicContact CB-CD1 4.05Å; A791-I840 WeakPolarHBondContact O-CD1 3.45Å |
| 792 | E | 85.9 | Confident | 83.8 | Confident | 71 Ų | 71 | 58.2 Ų | 58.2 | 33% | 0.332 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | 169.8 | -77 | -177.1 | 126.1 | 0 | 0 | 111.8 | L760 R764 V788 E790 G795 S796 | L760-E792 HydrophobicContact CD2-CG 4.34Å; R764-E792 IonicContact CZ-OE1 3.85Å; R764-E792 IonicContact NH1-OE1 2.79Å; R764-E792 PolarHBondContact NH1-OE1 2.86Å; R764-E792 VanDerWaalsContact NH2-CG 3.35Å; R764-E792 IonicContact NH2-OE1 3.2Å; R764-E792 PolarHBondContact NH2-OE1 2.8Å; V788-E792 HydrophobicContact CG1-CG 4.4Å; V788-E792 WeakPolarHBondContact O-CB 3.26Å; V788-E792 WeakPolarHBondContact O-CG 3.39Å; V788-E792 PolarHBondContact O-N 2.98Å; E790-E792 PolarHBondContact O-N 3.45Å; E792-G795 PolarHBondContact O-N 3.22Å; E792-S796 VanDerWaalsContact O-CB 3.3Å; E792-S796 WeakPolarHBondContact O-CB 3.39Å; E792-S796 PolarHBondContact O-N 2.7Å; E792-S796 PolarHBondContact O-OG 2.87Å |
| 793 | T | 84.3 | Confident | 83 | Confident | 80 Ų | 80 | 55 Ų | 55 | 49% | 0.491 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.1 | -51.8 | -179.6 | -57.7 | 0 | 0 | 0 | 0 | 110.6 | K789 E790 G795 S796 V797 | K789-T793 WeakPolarHBondContact O-CB 3.39Å; K789-T793 PolarHBondContact O-N 2.82Å; K789-T793 VanDerWaalsContact O-N 3.07Å; K789-T793 PolarHBondContact O-OG1 3.1Å; E790-T793 WeakPolarHBondContact O-CB 3.07Å; E790-T793 PolarHBondContact O-N 2.89Å; E790-T793 VanDerWaalsContact O-N 3.12Å; T793-G795 VanDerWaalsContact C-N 3.34Å; T793-G795 PolarHBondContact O-N 2.85Å; T793-S796 WeakPolarHBondContact O-CB 3.36Å; T793-S796 PolarHBondContact O-N 2.92Å; T793-V797 WeakPolarHBondContact O-CG2 3.46Å; T793-V797 PolarHBondContact O-N 3.4Å |
| 794 | C | 85.2 | Confident | 81.4 | Confident | 5 Ų | 5 | 56.7 Ų | 56.7 | 3% | 0.034 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.2 | -35.4 | 176.2 | -69.8 | 0 | 0 | 0 | 0 | 112.6 | E790 V797 A798 L833 L836 | E790-C794 WeakPolarHBondContact O-CB 3.15Å; E790-C794 PolarHBondContact O-N 2.79Å; C794-V797 PolarHBondContact O-N 3.08Å; C794-A798 WeakPolarHBondContact O-CB 3.25Å; C794-A798 PolarHBondContact O-N 2.86Å; C794-L833 HydrophobicContact CB-CD2 4.16Å; C794-L836 HydrophobicContact CB-CD1 3.58Å |
| 795 | G | 83.7 | Confident | 79.2 | Confident | 10 Ų | 10 | 64.2 Ų | 64.2 | 10% | 0.103 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | A791 E792 T793 Q799 | A791-G795 WeakPolarHBondContact O-CA 3.44Å; A791-G795 PolarHBondContact O-N 3.45Å; E792-G795 PolarHBondContact O-N 3.22Å; T793-G795 VanDerWaalsContact C-N 3.34Å; T793-G795 PolarHBondContact O-N 2.85Å; G795-Q799 WeakPolarHBondContact O-CB 3.29Å; G795-Q799 PolarHBondContact O-N 3.4Å |
| 796 | S | 80.3 | Confident | 76.9 | Confident | 78 Ų | 78 | 66.7 Ų | 66.7 | 55% | 0.545 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.4 | -43.1 | 175.6 | -59.8 | 0 | 0 | 0 | 0 | 112.2 | E792 T793 Q799 L800 | E792-S796 VanDerWaalsContact O-CB 3.3Å; E792-S796 WeakPolarHBondContact O-CB 3.39Å; E792-S796 PolarHBondContact O-N 2.7Å; E792-S796 PolarHBondContact O-OG 2.87Å; T793-S796 WeakPolarHBondContact O-CB 3.36Å; T793-S796 PolarHBondContact O-N 2.92Å; S796-Q799 PolarHBondContact O-N 2.75Å; S796-L800 WeakPolarHBondContact O-CB 3.33Å; S796-L800 PolarHBondContact O-N 2.74Å |
| 797 | V | 80.4 | Confident | 74.3 | Confident | 59 Ų | 59 | 69.1 Ų | 69.1 | 36% | 0.358 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.3 | -43.1 | 175.5 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | T793 C794 Q799 L800 L801 F829 | T793-V797 WeakPolarHBondContact O-CG2 3.46Å; T793-V797 PolarHBondContact O-N 3.4Å; C794-V797 PolarHBondContact O-N 3.08Å; V797-Q799 VanDerWaalsContact C-N 3.33Å; V797-Q799 PolarHBondContact O-N 3.33Å; V797-L800 WeakPolarHBondContact O-CB 3.41Å; V797-L800 PolarHBondContact O-N 3.4Å; V797-L801 HydrophobicContact CG1-CD1 3.96Å; V797-L801 HydrophobicContact CG1-CG 4.49Å; V797-L801 WeakPolarHBondContact O-CG 3.38Å; V797-L801 PolarHBondContact O-N 2.63Å; V797-F829 HydrophobicContact CB-CE2 4.16Å; V797-F829 HydrophobicContact CB-CZ 3.99Å; V797-F829 HydrophobicContact CG1-CD2 4.42Å; V797-F829 HydrophobicContact CG1-CE1 4.29Å; V797-F829 HydrophobicContact CG1-CE2 3.68Å; V797-F829 HydrophobicContact CG1-CZ 3.6Å |
| 798 | A | 79.7 | Confident | 71.8 | Confident | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.6 | -36.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | C794 L802 F829 L833 Q842 V846 | C794-A798 WeakPolarHBondContact O-CB 3.25Å; C794-A798 PolarHBondContact O-N 2.86Å; A798-L802 WeakPolarHBondContact O-CB 3.48Å; A798-L802 WeakPolarHBondContact O-CD1 3.22Å; A798-L802 WeakPolarHBondContact O-CG 3.49Å; A798-L802 PolarHBondContact O-N 3.4Å; A798-F829 HydrophobicContact CB-CE1 4.08Å; A798-F829 HydrophobicContact CB-CZ 4.03Å; A798-L833 HydrophobicContact CB-CD1 4.29Å; A798-L833 HydrophobicContact CB-CD2 4.36Å; A798-Q842 HydrophobicContact CB-CB 3.59Å; A798-Q842 HydrophobicContact CB-CG 4.08Å; A798-V846 HydrophobicContact CB-CG2 4.11Å |
| 799 | Q | 78.7 | Confident | 69.1 | Low | 123 Ų | 123 | 85.9 Ų | 85.9 | 58% | 0.575 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -66.2 | -36.8 | 172.3 | -179.7 | 168 | -23.4 | 0 | 0 | 112.1 | G795 S796 V797 S803 | G795-Q799 WeakPolarHBondContact O-CB 3.29Å; G795-Q799 PolarHBondContact O-N 3.4Å; S796-Q799 PolarHBondContact O-N 2.75Å; V797-Q799 VanDerWaalsContact C-N 3.33Å; V797-Q799 PolarHBondContact O-N 3.33Å; Q799-S803 VanDerWaalsContact O-CB 3.28Å; Q799-S803 WeakPolarHBondContact O-CB 3.45Å; Q799-S803 PolarHBondContact O-N 3.32Å |
| 800 | L | 74.8 | Confident | 66.5 | Low | 94 Ų | 94 | 87.3 Ų | 87.3 | 49% | 0.492 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.8 | -51.3 | 174.2 | -173.2 | 66.7 | 0 | 0 | 0 | 111 | S796 V797 L802 S803 | S796-L800 WeakPolarHBondContact O-CB 3.33Å; S796-L800 PolarHBondContact O-N 2.74Å; V797-L800 WeakPolarHBondContact O-CB 3.41Å; V797-L800 PolarHBondContact O-N 3.4Å; L800-L802 VanDerWaalsContact C-N 3.3Å; L800-L802 PolarHBondContact O-N 2.61Å; L800-S803 WeakPolarHBondContact O-CB 3.35Å; L800-S803 PolarHBondContact O-N 3.45Å; L800-S803 PolarHBondContact O-OG 2.92Å |
| 801 | L | 72.3 | Confident | 64.1 | Low | 35 Ų | 35 | 89 Ų | 89 | 18% | 0.183 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -61.2 | -35.2 | 179 | -70 | 165.2 | 0 | 0 | 0 | 113.3 | V797 L821 F829 | V797-L801 HydrophobicContact CG1-CD1 3.96Å; V797-L801 HydrophobicContact CG1-CG 4.49Å; V797-L801 WeakPolarHBondContact O-CG 3.38Å; V797-L801 PolarHBondContact O-N 2.63Å; L801-L821 HydrophobicContact CD1-CD1 3.73Å; L801-L821 HydrophobicContact CD2-CD1 3.61Å; L801-L821 HydrophobicContact CD2-CG 4.08Å; L801-L821 HydrophobicContact CG-CD1 4.34Å; L801-F829 HydrophobicContact CD1-CD1 3.56Å; L801-F829 HydrophobicContact CD1-CE1 3.37Å; L801-F829 HydrophobicContact CD1-CG 4.43Å; L801-F829 HydrophobicContact CD1-CZ 4.13Å |
| 802 | L | 71.2 | Confident | 61.6 | Low | 38 Ų | 38 | 93.9 Ų | 93.9 | 20% | 0.199 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -86.5 | -9.9 | 176.4 | -64.5 | 172.5 | 0 | 0 | 0 | 113.5 | A798 L800 K804 Q842 Q845 V846 | A798-L802 WeakPolarHBondContact O-CB 3.48Å; A798-L802 WeakPolarHBondContact O-CD1 3.22Å; A798-L802 WeakPolarHBondContact O-CG 3.49Å; A798-L802 PolarHBondContact O-N 3.4Å; L800-L802 VanDerWaalsContact C-N 3.3Å; L800-L802 PolarHBondContact O-N 2.61Å; L802-K804 PolarHBondContact O-N 3.26Å; L802-Q842 HydrophobicContact CD1-CB 3.49Å; L802-Q842 VanDerWaalsContact CD1-CB 3.49Å; L802-Q842 HydrophobicContact CD1-CG 3.69Å; L802-Q845 HydrophobicContact CD1-CB 3.56Å; L802-Q845 HydrophobicContact CD1-CG 4.35Å; L802-Q845 HydrophobicContact CD2-CB 3.57Å; L802-Q845 HydrophobicContact CG-CB 4.21Å; L802-V846 HydrophobicContact CD1-CG2 3.99Å; L802-V846 HydrophobicContact CD2-CG2 4.23Å; L802-V846 HydrophobicContact CG-CG2 4.06Å |
| 803 | S | 66.9 | Low | 59.1 | Low | 38 Ų | 38 | 97.8 Ų | 97.8 | 27% | 0.266 | 50% | 0.501 | S | S | . | . | trans | -70.4 | 100 | 175.9 | 76 | 0 | 0 | 0 | 0 | 109.3 | Q799 L800 K805 | Q799-S803 VanDerWaalsContact O-CB 3.28Å; Q799-S803 WeakPolarHBondContact O-CB 3.45Å; Q799-S803 PolarHBondContact O-N 3.32Å; L800-S803 WeakPolarHBondContact O-CB 3.35Å; L800-S803 PolarHBondContact O-N 3.45Å; L800-S803 PolarHBondContact O-OG 2.92Å; S803-K805 PolarHBondContact O-N 2.89Å | ||
| 804 | K | 55.2 | Low | 56.8 | Low | 159 Ų | 159 | 99.3 Ų | 99.3 | 69% | 0.691 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | 38.4 | 170.6 | -58.8 | -167.7 | 177.5 | -166.2 | 0 | 111.9 | L802 Y885 | L802-K804 PolarHBondContact O-N 3.26Å; K804-Y885 HydrophobicContact CG-CE2 4.13Å |
| 805 | K | 45.3 | Very low | 54.1 | Low | 157 Ų | 157 | 101.8 Ų | 101.8 | 68% | 0.683 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.2 | 18.5 | -165.6 | -95.8 | -167.3 | 170.5 | -172.5 | 0 | 114 | S803 | S803-K805 PolarHBondContact O-N 2.89Š|
| 806 | Q | 41.1 | Very low | 51.7 | Low | 135 Ų | 135 | 111.8 Ų | 111.8 | 63% | 0.631 | 58% | 0.582 | S | S | * | * | trans | -117.5 | 73 | 171.1 | -147.2 | 170.4 | 11 | 0 | 0 | 111.9 | ||||
| 807 | K | 33.7 | Very low | 49.7 | Very low | 144 Ų | 144 | 114.2 Ų | 114.2 | 63% | 0.626 | 59% | 0.593 | S | S | * | * | trans | -136.1 | 64.1 | 171.4 | -82.8 | -171.8 | 176.8 | 172.4 | 0 | 111.8 | ||||
| 808 | H | 35.8 | Very low | 48 | Very low | 188 Ų | 188 | 119.6 Ų | 119.6 | 87% | 0.87 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -167.7 | 156 | 141.5 | -117 | -88.1 | 0 | 0 | 0 | 110.2 | ||
| 809 | R | 33.6 | Very low | 46.6 | Very low | 180 Ų | 180 | 124.4 Ų | 124.4 | 68% | 0.679 | 64% | 0.637 | S | S | * | * | trans | 59.9 | 71.6 | -174.6 | -67.2 | -167.7 | 177.5 | -159.6 | 3.3 | 115.6 | E1646 | R809-E1646 IonicContact CZ-OE2 2.71Å; R809-E1646 IonicContact NH1-OE1 2.7Å; R809-E1646 IonicContact NH1-OE2 4Å; R809-E1646 PolarHBondContact NH1-OE2 3.06Å; R809-E1646 IonicContact NH2-OE2 3.86Å; R809-E1646 PolarHBondContact NH2-OE2 3.35Å | ||
| 810 | Q | 34.8 | Very low | 45.6 | Very low | 160 Ų | 160 | 124.4 Ų | 124.4 | 75% | 0.748 | 64% | 0.635 | S | S | * | * | -125.6 | 128.6 | 127.6 | -107.8 | -173 | -19.1 | 0 | 0 | 107.9 | T819 | Q810-T819 PolarHBondContact OE1-OG1 3.26Š| |||
| 811 | S | 36.2 | Very low | 45.2 | Very low | 114 Ų | 114 | 121.5 Ų | 121.5 | 80% | 0.797 | 62% | 0.62 | S | S | * | * | trans | -144.6 | 159 | 166.9 | -166.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 812 | S | 35 | Very low | 45.4 | Very low | 104 Ų | 104 | 121.2 Ų | 121.2 | 73% | 0.727 | 62% | 0.619 | S | S | * | * | trans | -35 | 141.4 | 178.6 | 49.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 813 | D | 33.1 | Very low | 45.4 | Very low | 153 Ų | 153 | 120.9 Ų | 120.9 | 82% | 0.818 | 62% | 0.619 | S | S | * | * | cis | -154.1 | -178.8 | 28 | -154.7 | -7 | 0 | 0 | 0 | 113.4 | ||||
| 814 | S | 34.6 | Very low | 45.9 | Very low | 111 Ų | 111 | 125.4 Ų | 125.4 | 78% | 0.776 | 64% | 0.636 | S | S | * | * | trans | 81 | 134.7 | 175.7 | 79.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 815 | G | 29.8 | Very low | 47.1 | Very low | 58 Ų | 58 | 119.9 Ų | 119.9 | 60% | 0.598 | 61% | 0.612 | S | S | * | * | S | Bend | trans | 83.2 | 61.6 | 139.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | T817 | G815-T817 PolarHBondContact O-N 3.45Å; G815-T817 PolarHBondContact O-OG1 3.1Å |
| 816 | K | 34 | Very low | 48.8 | Very low | 220 Ų | 220 | 112.4 Ų | 112.4 | 96% | 0.957 | 58% | 0.58 | S | S | * | * | trans | 37.2 | 73.6 | 144.4 | -58.5 | 175.5 | 179.6 | 174.3 | 0 | 116.9 | ||||
| 817 | T | 36.4 | Very low | 50.7 | Low | 128 Ų | 128 | 109.7 Ų | 109.7 | 79% | 0.785 | 57% | 0.566 | S | S | * | * | trans | -147.3 | 133.6 | 164.9 | 8.2 | 0 | 0 | 0 | 0 | 113.5 | G815 | G815-T817 PolarHBondContact O-N 3.45Å; G815-T817 PolarHBondContact O-OG1 3.1Å | ||
| 818 | R | 44.7 | Very low | 53.1 | Low | 173 Ų | 173 | 105.4 Ų | 105.4 | 65% | 0.653 | 56% | 0.558 | S | S | * | * | trans | -76.7 | 119.3 | 179 | -61.7 | 154 | 97.1 | 164.1 | 4.2 | 108.9 | E825 | R818-E825 WeakPolarHBondContact CD-OE1 3.43Å; R818-E825 IonicContact CZ-OE1 3.34Å; R818-E825 IonicContact CZ-OE2 3.5Å; R818-E825 IonicContact NE-OE1 3.3Å; R818-E825 PolarHBondContact NE-OE1 3.38Å; R818-E825 IonicContact NE-OE2 3.84Å; R818-E825 PolarHBondContact NE-OE2 2.91Å; R818-E825 IonicContact NH1-OE1 2.66Å; R818-E825 VanDerWaalsContact NH2-CG 3.34Å; R818-E825 IonicContact NH2-OE1 3.61Å; R818-E825 PolarHBondContact NH2-OE1 2.83Å; R818-E825 IonicContact NH2-OE2 2.85Å; R818-E825 PolarHBondContact NH2-OE2 3.4Å | ||
| 819 | T | 50.8 | Low | 55.4 | Low | 100 Ų | 100 | 97.4 Ų | 97.4 | 61% | 0.613 | 52% | 0.52 | S | S | * | . | trans | -112.4 | -3.7 | 173.6 | 52.8 | 0 | 0 | 0 | 0 | 113.6 | Q810 | Q810-T819 PolarHBondContact OE1-OG1 3.26Š| ||
| 820 | K | 58.2 | Low | 57.8 | Low | 123 Ų | 123 | 89.9 Ų | 89.9 | 54% | 0.535 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -114.8 | 140.9 | 160 | -63.8 | 178.8 | -172.5 | 169.9 | 0 | 107.8 | ||
| 821 | L | 66.2 | Low | 60.1 | Low | 34 Ų | 34 | 89 Ų | 89 | 18% | 0.178 | 49% | 0.49 | C | S | . | . | trans | -76 | 136.7 | 167.5 | -59.6 | 170.3 | 0 | 0 | 0 | 108.4 | L801 E825 L826 V886 E887 | L801-L821 HydrophobicContact CD1-CD1 3.73Å; L801-L821 HydrophobicContact CD2-CD1 3.61Å; L801-L821 HydrophobicContact CD2-CG 4.08Å; L801-L821 HydrophobicContact CG-CD1 4.34Å; L821-E825 HydrophobicContact CB-CB 3.86Å; L821-E825 HydrophobicContact CD2-CB 3.69Å; L821-E825 HydrophobicContact CG-CB 4.35Å; L821-L826 HydrophobicContact CB-CB 4.26Å; L821-L826 HydrophobicContact CD1-CB 4.3Å; L821-L826 HydrophobicContact CD1-CD1 3.97Å; L821-V886 WeakPolarHBondContact O-CG1 3.45Å; L821-E887 PolarHBondContact O-N 3.43Å | ||
| 822 | T | 75.9 | Confident | 62.4 | Low | 28 Ų | 28 | 87.2 Ų | 87.2 | 17% | 0.172 | 47% | 0.469 | C | S | . | . | trans | -68.1 | 171.2 | 158 | 75.9 | 0 | 0 | 0 | 0 | 110.3 | E824 E825 L826 | T822-E824 WeakPolarHBondContact CB-OE2 3.45Å; T822-E824 PolarHBondContact O-N 2.99Å; T822-E824 PolarHBondContact OG1-N 2.91Å; T822-E824 PolarHBondContact OG1-OE2 2.84Å; T822-E825 PolarHBondContact N-OE2 3.29Å; T822-E825 VanDerWaalsContact N-OE2 3.08Å; T822-E825 PolarHBondContact O-N 3.49Å; T822-E825 PolarHBondContact OG1-N 2.87Å; T822-L826 PolarHBondContact O-N 2.89Å | ||
| 823 | V | 72.7 | Confident | 64.7 | Low | 32 Ų | 32 | 82.6 Ų | 82.6 | 19% | 0.194 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -60 | -34.5 | 176.4 | -177.7 | 0 | 0 | 0 | 0 | 111.1 | K827 V853 V886 | V823-K827 HydrophobicContact CG1-CD 4.21Å; V823-K827 WeakPolarHBondContact O-CB 3.48Å; V823-K827 VanDerWaalsContact O-CG 3.24Å; V823-K827 WeakPolarHBondContact O-CG 3.34Å; V823-K827 PolarHBondContact O-N 2.84Å; V823-V853 HydrophobicContact CG2-CG1 4.09Å; V823-V886 HydrophobicContact CG2-CG1 4.46Å |
| 824 | E | 77.4 | Confident | 67 | Low | 133 Ų | 133 | 79.1 Ų | 79.1 | 62% | 0.621 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -69.1 | -42.5 | 175.7 | -56 | 68.3 | -145.3 | 0 | 0 | 111.7 | T822 K827 A828 | T822-E824 WeakPolarHBondContact CB-OE2 3.45Å; T822-E824 PolarHBondContact O-N 2.99Å; T822-E824 PolarHBondContact OG1-N 2.91Å; T822-E824 PolarHBondContact OG1-OE2 2.84Å; E824-K827 PolarHBondContact O-N 3.11Å; E824-A828 PolarHBondContact O-N 2.91Å |
| 825 | E | 79.9 | Confident | 69.3 | Low | 42 Ų | 42 | 77.7 Ų | 77.7 | 20% | 0.196 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -68.7 | -36.8 | 177.2 | -69 | -178.2 | 102.1 | 0 | 0 | 112.4 | R818 L821 T822 K827 A828 F829 | R818-E825 WeakPolarHBondContact CD-OE1 3.43Å; R818-E825 IonicContact CZ-OE1 3.34Å; R818-E825 IonicContact CZ-OE2 3.5Å; R818-E825 IonicContact NE-OE1 3.3Å; R818-E825 PolarHBondContact NE-OE1 3.38Å; R818-E825 IonicContact NE-OE2 3.84Å; R818-E825 PolarHBondContact NE-OE2 2.91Å; R818-E825 IonicContact NH1-OE1 2.66Å; R818-E825 VanDerWaalsContact NH2-CG 3.34Å; R818-E825 IonicContact NH2-OE1 3.61Å; R818-E825 PolarHBondContact NH2-OE1 2.83Å; R818-E825 IonicContact NH2-OE2 2.85Å; R818-E825 PolarHBondContact NH2-OE2 3.4Å; L821-E825 HydrophobicContact CB-CB 3.86Å; L821-E825 HydrophobicContact CD2-CB 3.69Å; L821-E825 HydrophobicContact CG-CB 4.35Å; T822-E825 PolarHBondContact N-OE2 3.29Å; T822-E825 VanDerWaalsContact N-OE2 3.08Å; T822-E825 PolarHBondContact O-N 3.49Å; T822-E825 PolarHBondContact OG1-N 2.87Å; E825-K827 VanDerWaalsContact C-N 3.34Å; E825-A828 PolarHBondContact O-N 3.32Å; E825-F829 WeakPolarHBondContact O-CB 3.03Å; E825-F829 PolarHBondContact O-N 3.29Å |
| 826 | L | 81 | Confident | 71.8 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 172.9 | -178.4 | 61 | 0 | 0 | 0 | 110.7 | L821 T822 A828 F829 V830 V846 L849 L850 V886 | L821-L826 HydrophobicContact CB-CB 4.26Å; L821-L826 HydrophobicContact CD1-CB 4.3Å; L821-L826 HydrophobicContact CD1-CD1 3.97Å; T822-L826 PolarHBondContact O-N 2.89Å; L826-A828 VanDerWaalsContact C-N 3.34Å; L826-A828 PolarHBondContact O-N 3.18Å; L826-F829 PolarHBondContact O-N 2.98Å; L826-V830 HydrophobicContact CD1-CG2 4.44Å; L826-V830 WeakPolarHBondContact O-CB 3.44Å; L826-V830 VanDerWaalsContact O-CG2 3.28Å; L826-V830 WeakPolarHBondContact O-CG2 3.29Å; L826-V830 PolarHBondContact O-N 3.06Å; L826-V846 HydrophobicContact CD1-CG1 3.82Å; L826-L849 HydrophobicContact CD2-CG 4.3Å; L826-L850 HydrophobicContact CD2-CB 4.05Å; L826-L850 HydrophobicContact CD2-CD1 3.97Å; L826-L850 HydrophobicContact CG-CB 4.38Å; L826-L850 HydrophobicContact CG-CD1 4.23Å; L826-V886 HydrophobicContact CD2-CG1 4.37Å; L826-V886 HydrophobicContact CD2-CG2 3.83Å |
| 827 | K | 81.7 | Confident | 73.9 | Confident | 79 Ų | 79 | 65.5 Ų | 65.5 | 34% | 0.343 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.5 | -39.4 | 173.3 | -74.8 | 172.3 | -177.9 | -175.2 | 0 | 111.9 | V823 E824 E825 Q831 L850 E854 | V823-K827 HydrophobicContact CG1-CD 4.21Å; V823-K827 WeakPolarHBondContact O-CB 3.48Å; V823-K827 VanDerWaalsContact O-CG 3.24Å; V823-K827 WeakPolarHBondContact O-CG 3.34Å; V823-K827 PolarHBondContact O-N 2.84Å; E824-K827 PolarHBondContact O-N 3.11Å; E825-K827 VanDerWaalsContact C-N 3.34Å; K827-Q831 WeakPolarHBondContact O-CG 3.41Å; K827-Q831 PolarHBondContact O-N 2.82Å; K827-Q831 VanDerWaalsContact O-N 3.1Å; K827-L850 HydrophobicContact CD-CD1 4.41Å; K827-L850 HydrophobicContact CG-CD1 3.81Å; K827-L850 HydrophobicContact CG-CD2 3.89Å; K827-E854 WeakPolarHBondContact CE-OE1 3.36Å; K827-E854 IonicContact NZ-OE1 3.15Å; K827-E854 PolarHBondContact NZ-OE1 3.49Å |
| 828 | A | 82.5 | Confident | 76.1 | Confident | 54 Ų | 54 | 59.5 Ų | 59.5 | 45% | 0.446 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68 | -43.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | E824 E825 L826 V830 Q831 Q832 | E824-A828 PolarHBondContact O-N 2.91Å; E825-A828 PolarHBondContact O-N 3.32Å; L826-A828 VanDerWaalsContact C-N 3.34Å; L826-A828 PolarHBondContact O-N 3.18Å; A828-V830 PolarHBondContact O-N 3.29Å; A828-Q831 WeakPolarHBondContact O-CB 3.15Å; A828-Q831 PolarHBondContact O-N 3.04Å; A828-Q831 VanDerWaalsContact O-N 3.11Å; A828-Q832 PolarHBondContact O-N 3.19Å |
| 829 | F | 85.4 | Confident | 77.9 | Confident | 19 Ų | 19 | 55 Ų | 55 | 8% | 0.083 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.6 | -35.1 | 177.5 | -176.1 | -113.7 | 0 | 0 | 0 | 112.3 | V797 A798 L801 E825 L826 Q831 Q832 L833 V846 | V797-F829 HydrophobicContact CB-CE2 4.16Å; V797-F829 HydrophobicContact CB-CZ 3.99Å; V797-F829 HydrophobicContact CG1-CD2 4.42Å; V797-F829 HydrophobicContact CG1-CE1 4.29Å; V797-F829 HydrophobicContact CG1-CE2 3.68Å; V797-F829 HydrophobicContact CG1-CZ 3.6Å; A798-F829 HydrophobicContact CB-CE1 4.08Å; A798-F829 HydrophobicContact CB-CZ 4.03Å; L801-F829 HydrophobicContact CD1-CD1 3.56Å; L801-F829 HydrophobicContact CD1-CE1 3.37Å; L801-F829 HydrophobicContact CD1-CG 4.43Å; L801-F829 HydrophobicContact CD1-CZ 4.13Å; E825-F829 WeakPolarHBondContact O-CB 3.03Å; E825-F829 PolarHBondContact O-N 3.29Å; L826-F829 PolarHBondContact O-N 2.98Å; F829-Q831 VanDerWaalsContact C-N 3.31Å; F829-Q831 PolarHBondContact O-N 2.81Å; F829-Q832 PolarHBondContact O-N 3.47Å; F829-L833 HydrophobicContact CD1-CD1 3.93Å; F829-L833 HydrophobicContact CD1-CG 4.37Å; F829-L833 HydrophobicContact CE1-CD1 3.44Å; F829-L833 VanDerWaalsContact CE1-CD1 3.44Å; F829-L833 HydrophobicContact CE1-CD2 4.47Å; F829-L833 HydrophobicContact CE1-CG 3.92Å; F829-L833 HydrophobicContact CE2-CG 4.32Å; F829-L833 HydrophobicContact CZ-CD1 3.89Å; F829-L833 HydrophobicContact CZ-CD2 4.07Å; F829-L833 HydrophobicContact CZ-CG 3.88Å; F829-L833 WeakPolarHBondContact O-CG 3.43Å; F829-L833 PolarHBondContact O-N 3.06Å; F829-V846 HydrophobicContact CD1-CG1 4.03Å; F829-V846 HydrophobicContact CE1-CG1 4.25Å |
| 830 | V | 83.1 | Confident | 79.4 | Confident | 23 Ų | 23 | 50.6 Ų | 50.6 | 14% | 0.139 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.2 | -36.6 | 169.7 | 168.7 | 0 | 0 | 0 | 0 | 111.4 | L826 A828 V834 V846 L850 | L826-V830 HydrophobicContact CD1-CG2 4.44Å; L826-V830 WeakPolarHBondContact O-CB 3.44Å; L826-V830 VanDerWaalsContact O-CG2 3.28Å; L826-V830 WeakPolarHBondContact O-CG2 3.29Å; L826-V830 PolarHBondContact O-N 3.06Å; A828-V830 PolarHBondContact O-N 3.29Å; V830-V834 WeakPolarHBondContact O-CB 3.15Å; V830-V834 VanDerWaalsContact O-CG2 3.25Å; V830-V834 WeakPolarHBondContact O-CG2 3.24Å; V830-V834 PolarHBondContact O-N 3.27Å; V830-V834 VanDerWaalsContact O-N 3.17Å; V830-V846 HydrophobicContact CG2-CG1 3.83Å; V830-L850 HydrophobicContact CG2-CD2 4.49Å |
| 831 | Q | 83.7 | Confident | 80.4 | Confident | 141 Ų | 141 | 49.1 Ų | 49.1 | 66% | 0.659 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64.4 | -43.5 | 172.3 | -72.2 | 173 | 4.2 | 0 | 0 | 111.9 | K827 A828 F829 V834 S835 | K827-Q831 WeakPolarHBondContact O-CG 3.41Å; K827-Q831 PolarHBondContact O-N 2.82Å; K827-Q831 VanDerWaalsContact O-N 3.1Å; A828-Q831 WeakPolarHBondContact O-CB 3.15Å; A828-Q831 PolarHBondContact O-N 3.04Å; A828-Q831 VanDerWaalsContact O-N 3.11Å; F829-Q831 VanDerWaalsContact C-N 3.31Å; F829-Q831 PolarHBondContact O-N 2.81Å; Q831-V834 CarbonylContact O-C 3.56Å; Q831-V834 PolarHBondContact O-N 3.27Å; Q831-V834 VanDerWaalsContact O-N 3.1Å; Q831-S835 PolarHBondContact O-N 3.49Å |
| 832 | Q | 83.9 | Confident | 81 | Confident | 77 Ų | 77 | 49 Ų | 49 | 36% | 0.36 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.7 | -44 | 176.7 | -168.8 | 178.6 | 7.8 | 0 | 0 | 112.2 | E790 A828 F829 V834 S835 L836 | E790-Q832 PolarHBondContact OE1-NE2 3.24Å; A828-Q832 PolarHBondContact O-N 3.19Å; F829-Q832 PolarHBondContact O-N 3.47Å; Q832-V834 PolarHBondContact O-N 2.86Å; Q832-V834 VanDerWaalsContact O-N 3.13Å; Q832-S835 WeakPolarHBondContact CA-OG 3.37Å; Q832-S835 PolarHBondContact O-N 2.85Å; Q832-S835 PolarHBondContact O-OG 3Å; Q832-L836 PolarHBondContact O-N 3.16Å |
| 833 | L | 83.9 | Confident | 81.3 | Confident | 6 Ų | 6 | 49 Ų | 49 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.2 | -18.7 | 173.9 | -76.1 | 178 | 0 | 0 | 0 | 113.8 | C794 A798 F829 L836 I840 T843 V846 | C794-L833 HydrophobicContact CB-CD2 4.16Å; A798-L833 HydrophobicContact CB-CD1 4.29Å; A798-L833 HydrophobicContact CB-CD2 4.36Å; F829-L833 HydrophobicContact CD1-CD1 3.93Å; F829-L833 HydrophobicContact CD1-CG 4.37Å; F829-L833 HydrophobicContact CE1-CD1 3.44Å; F829-L833 VanDerWaalsContact CE1-CD1 3.44Å; F829-L833 HydrophobicContact CE1-CD2 4.47Å; F829-L833 HydrophobicContact CE1-CG 3.92Å; F829-L833 HydrophobicContact CE2-CG 4.32Å; F829-L833 HydrophobicContact CZ-CD1 3.89Å; F829-L833 HydrophobicContact CZ-CD2 4.07Å; F829-L833 HydrophobicContact CZ-CG 3.88Å; F829-L833 WeakPolarHBondContact O-CG 3.43Å; F829-L833 PolarHBondContact O-N 3.06Å; L833-L836 HydrophobicContact CD2-CD1 4.1Å; L833-I840 HydrophobicContact CD2-CB 4.26Å; L833-I840 HydrophobicContact CD2-CG1 4.19Å; L833-I840 HydrophobicContact CD2-CG2 4.35Å; L833-T843 HydrophobicContact CB-CG2 4.04Å; L833-V846 HydrophobicContact CD1-CB 3.99Å; L833-V846 HydrophobicContact CD1-CG1 4.04Å; L833-V846 HydrophobicContact CD1-CG2 3.92Å |
| 834 | V | 81.1 | Confident | 81.7 | Confident | 81 Ų | 81 | 56.9 Ų | 56.9 | 49% | 0.491 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -92.5 | -24.5 | 174.6 | 169.1 | 0 | 0 | 0 | 0 | 111.9 | K757 V830 Q831 Q832 | K757-V834 PolarHBondContact NZ-O 2.98Å; V830-V834 WeakPolarHBondContact O-CB 3.15Å; V830-V834 VanDerWaalsContact O-CG2 3.25Å; V830-V834 WeakPolarHBondContact O-CG2 3.24Å; V830-V834 PolarHBondContact O-N 3.27Å; V830-V834 VanDerWaalsContact O-N 3.17Å; Q831-V834 CarbonylContact O-C 3.56Å; Q831-V834 PolarHBondContact O-N 3.27Å; Q831-V834 VanDerWaalsContact O-N 3.1Å; Q832-V834 PolarHBondContact O-N 2.86Å; Q832-V834 VanDerWaalsContact O-N 3.13Å |
| 835 | S | 82.1 | Confident | 81.9 | Confident | 80 Ų | 80 | 55.5 Ų | 55.5 | 56% | 0.559 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -77.8 | -39.6 | 176.3 | 59 | 0 | 0 | 0 | 0 | 113.6 | K757 Q831 Q832 | K757-S835 PolarHBondContact NZ-O 2.82Å; Q831-S835 PolarHBondContact O-N 3.49Å; Q832-S835 WeakPolarHBondContact CA-OG 3.37Å; Q832-S835 PolarHBondContact O-N 2.85Å; Q832-S835 PolarHBondContact O-OG 3Å |
| 836 | L | 83 | Confident | 81.9 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -43.3 | 137.8 | 179.6 | -71.9 | 169.5 | 0 | 0 | 0 | 113.7 | K757 E790 C794 Q832 L833 C838 I840 | K757-L836 WeakPolarHBondContact CD-O 3.45Å; K757-L836 VanDerWaalsContact CE-O 3.3Å; K757-L836 WeakPolarHBondContact CE-O 3.46Å; K757-L836 PolarHBondContact NZ-O 2.67Å; E790-L836 HydrophobicContact CB-CD2 4.18Å; E790-L836 VanDerWaalsContact CD-CD2 3.47Å; E790-L836 HydrophobicContact CG-CD2 3.81Å; C794-L836 HydrophobicContact CB-CD1 3.58Å; Q832-L836 PolarHBondContact O-N 3.16Å; L833-L836 HydrophobicContact CD2-CD1 4.1Å; L836-C838 PolarHBondContact O-N 3.18Å; L836-C838 VanDerWaalsContact O-N 3.16Å; L836-I840 HydrophobicContact CD1-CD1 4.39Å; L836-I840 HydrophobicContact CD1-CG1 3.75Å |
| 837 | P | 78.1 | Confident | 81.9 | Confident | 21 Ų | 21 | 58.9 Ų | 58.9 | 14% | 0.136 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -64.7 | -21.4 | -176.5 | 24.6 | -33 | 0 | 0 | 0 | 114.3 | L750 K757 A787 | L750-P837 HydrophobicContact CD2-CB 4.28Å; L750-P837 HydrophobicContact CD2-CG 4.09Å; K757-P837 WeakPolarHBondContact CB-O 3.42Å; K757-P837 VanDerWaalsContact CG-O 3.27Å; K757-P837 WeakPolarHBondContact CG-O 3.46Å; A787-P837 HydrophobicContact CB-CG 3.88Å |
| 838 | C | 83 | Confident | 81.9 | Confident | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.014 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 160.6 | 179.5 | 63.4 | 0 | 0 | 0 | 0 | 114.5 | K758 L763 A791 L836 I840 | K758-C838 CarbonylContact O-C 3.48Å; K758-C838 WeakPolarHBondContact O-CA 3.5Å; K758-C838 VanDerWaalsContact O-CB 3.23Å; K758-C838 WeakPolarHBondContact O-CB 3.37Å; L763-C838 HydrophobicContact CD1-CB 3.71Å; L763-C838 HydrophobicContact CG-CB 4.34Å; A791-C838 WeakPolarHBondContact CB-SG 3.39Å; L836-C838 PolarHBondContact O-N 3.18Å; L836-C838 VanDerWaalsContact O-N 3.16Å; C838-I840 PolarHBondContact O-N 3.05Å |
| 839 | V | 82.8 | Confident | 81.8 | Confident | 79 Ų | 79 | 56.8 Ų | 56.8 | 48% | 0.479 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 107.5 | 170.7 | -176.6 | 0 | 0 | 0 | 0 | 110.4 | K757 K758 | K757-V839 HydrophobicContact CB-CG2 3.67Å; K757-V839 WeakPolarHBondContact O-CG2 3.37Å; K758-V839 PolarHBondContact O-N 2.97Å |
| 840 | I | 81.6 | Confident | 81.6 | Confident | 7 Ų | 7 | 56.8 Ų | 56.8 | 4% | 0.036 | 29% | 0.294 | C | S | . | . | trans | -77.5 | 124 | 166.3 | -55.4 | -58.3 | 0 | 0 | 0 | 108.8 | A791 L833 L836 C838 Q842 T843 | A791-I840 HydrophobicContact CB-CD1 4.05Å; A791-I840 WeakPolarHBondContact O-CD1 3.45Å; L833-I840 HydrophobicContact CD2-CB 4.26Å; L833-I840 HydrophobicContact CD2-CG1 4.19Å; L833-I840 HydrophobicContact CD2-CG2 4.35Å; L836-I840 HydrophobicContact CD1-CD1 4.39Å; L836-I840 HydrophobicContact CD1-CG1 3.75Å; C838-I840 PolarHBondContact O-N 3.05Å; I840-Q842 HydrophobicContact CG2-CB 3.95Å; I840-Q842 HydrophobicContact CG2-CG 4.48Å; I840-Q842 VanDerWaalsContact CG2-OE1 3.26Å; I840-Q842 PolarHBondContact O-N 3.13Å; I840-T843 WeakPolarHBondContact O-CB 3.48Å; I840-T843 PolarHBondContact O-N 2.92Å; I840-T843 PolarHBondContact O-OG1 3.49Å | ||
| 841 | S | 79.7 | Confident | 81.5 | Confident | 91 Ų | 91 | 59 Ų | 59 | 64% | 0.636 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -22.9 | -175.1 | 77.6 | 0 | 0 | 0 | 0 | 114.1 | ||
| 842 | Q | 79.2 | Confident | 81.2 | Confident | 31 Ų | 31 | 55.6 Ų | 55.6 | 15% | 0.145 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -24.9 | 179.1 | -69.1 | 79.5 | -15 | 0 | 0 | 112.6 | A798 L802 I840 R844 Q845 V846 | A798-Q842 HydrophobicContact CB-CB 3.59Å; A798-Q842 HydrophobicContact CB-CG 4.08Å; L802-Q842 HydrophobicContact CD1-CB 3.49Å; L802-Q842 VanDerWaalsContact CD1-CB 3.49Å; L802-Q842 HydrophobicContact CD1-CG 3.69Å; I840-Q842 HydrophobicContact CG2-CB 3.95Å; I840-Q842 HydrophobicContact CG2-CG 4.48Å; I840-Q842 VanDerWaalsContact CG2-OE1 3.26Å; I840-Q842 PolarHBondContact O-N 3.13Å; Q842-R844 VanDerWaalsContact C-N 3.3Å; Q842-R844 PolarHBondContact O-N 3.1Å; Q842-R844 VanDerWaalsContact O-N 3.14Å; Q842-Q845 WeakPolarHBondContact O-CA 3.08Å; Q842-Q845 WeakPolarHBondContact O-CB 3.38Å; Q842-Q845 PolarHBondContact O-N 3.17Å; Q842-V846 PolarHBondContact O-N 2.92Å |
| 843 | T | 81.8 | Confident | 81.1 | Confident | 30 Ų | 30 | 52.2 Ų | 52.2 | 18% | 0.184 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -55.8 | -39.2 | -169 | -60.9 | 0 | 0 | 0 | 0 | 113.6 | L833 I840 Q845 V846 K847 | L833-T843 HydrophobicContact CB-CG2 4.04Å; I840-T843 WeakPolarHBondContact O-CB 3.48Å; I840-T843 PolarHBondContact O-N 2.92Å; I840-T843 PolarHBondContact O-OG1 3.49Å; T843-Q845 VanDerWaalsContact C-N 3.31Å; T843-Q845 PolarHBondContact O-N 2.92Å; T843-V846 PolarHBondContact O-N 2.87Å; T843-K847 PolarHBondContact O-N 3.28Å |
| 844 | R | 81.3 | Confident | 80.9 | Confident | 197 Ų | 197 | 56.3 Ų | 56.3 | 74% | 0.743 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61.6 | -39.8 | 175.1 | -179.1 | 177.6 | 177.5 | 177.6 | 2.8 | 112.3 | Q842 K847 N848 | Q842-R844 VanDerWaalsContact C-N 3.3Å; Q842-R844 PolarHBondContact O-N 3.1Å; Q842-R844 VanDerWaalsContact O-N 3.14Å; R844-K847 PolarHBondContact O-N 3.1Å; R844-N848 WeakPolarHBondContact O-CB 3.46Å; R844-N848 PolarHBondContact O-N 3.01Å; R844-N848 PolarHBondContact O-OD1 3.5Å; R844-N848 VanDerWaalsContact O-OD1 3.08Å |
| 845 | Q | 80.1 | Confident | 80.9 | Confident | 104 Ų | 104 | 56.8 Ų | 56.8 | 49% | 0.486 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -73.9 | -35 | -177.6 | -56.8 | 172.6 | 66.1 | 0 | 0 | 111 | L802 Q842 T843 N848 L849 | L802-Q845 HydrophobicContact CD1-CB 3.56Å; L802-Q845 HydrophobicContact CD1-CG 4.35Å; L802-Q845 HydrophobicContact CD2-CB 3.57Å; L802-Q845 HydrophobicContact CG-CB 4.21Å; Q842-Q845 WeakPolarHBondContact O-CA 3.08Å; Q842-Q845 WeakPolarHBondContact O-CB 3.38Å; Q842-Q845 PolarHBondContact O-N 3.17Å; T843-Q845 VanDerWaalsContact C-N 3.31Å; T843-Q845 PolarHBondContact O-N 2.92Å; Q845-N848 WeakPolarHBondContact O-CB 3.46Å; Q845-N848 PolarHBondContact O-N 2.65Å; Q845-L849 PolarHBondContact O-N 3.05Å |
| 846 | V | 80.6 | Confident | 81 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.3 | -36.5 | 172.3 | -174.3 | 0 | 0 | 0 | 0 | 111.1 | A798 L802 L826 F829 V830 L833 Q842 T843 L849 L850 | A798-V846 HydrophobicContact CB-CG2 4.11Å; L802-V846 HydrophobicContact CD1-CG2 3.99Å; L802-V846 HydrophobicContact CD2-CG2 4.23Å; L802-V846 HydrophobicContact CG-CG2 4.06Å; L826-V846 HydrophobicContact CD1-CG1 3.82Å; F829-V846 HydrophobicContact CD1-CG1 4.03Å; F829-V846 HydrophobicContact CE1-CG1 4.25Å; V830-V846 HydrophobicContact CG2-CG1 3.83Å; L833-V846 HydrophobicContact CD1-CB 3.99Å; L833-V846 HydrophobicContact CD1-CG1 4.04Å; L833-V846 HydrophobicContact CD1-CG2 3.92Å; Q842-V846 PolarHBondContact O-N 2.92Å; T843-V846 PolarHBondContact O-N 2.87Å; V846-L849 PolarHBondContact O-N 3.13Å; V846-L850 PolarHBondContact O-N 3.02Å |
| 847 | K | 81.1 | Confident | 80.9 | Confident | 113 Ų | 113 | 56.8 Ų | 56.8 | 49% | 0.491 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.2 | -47.2 | 170.2 | 179.4 | 171.9 | 176.9 | 177.5 | 0 | 112 | T843 R844 L849 L850 D851 | T843-K847 PolarHBondContact O-N 3.28Å; R844-K847 PolarHBondContact O-N 3.1Å; K847-L849 PolarHBondContact O-N 3.41Å; K847-L850 WeakPolarHBondContact O-CA 3.35Å; K847-L850 WeakPolarHBondContact O-CB 3.21Å; K847-L850 PolarHBondContact O-N 3.36Å; K847-D851 WeakPolarHBondContact CE-OD1 3.5Å; K847-D851 WeakPolarHBondContact CE-OD2 3.43Å; K847-D851 PolarHBondContact O-N 3.37Å |
| 848 | N | 81.3 | Confident | 80.9 | Confident | 69 Ų | 69 | 62.9 Ų | 62.9 | 37% | 0.369 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -52 | -43.7 | 174.9 | -93.7 | 77.9 | 0 | 0 | 0 | 111.3 | R844 Q845 L850 D851 D852 | R844-N848 WeakPolarHBondContact O-CB 3.46Å; R844-N848 PolarHBondContact O-N 3.01Å; R844-N848 PolarHBondContact O-OD1 3.5Å; R844-N848 VanDerWaalsContact O-OD1 3.08Å; Q845-N848 WeakPolarHBondContact O-CB 3.46Å; Q845-N848 PolarHBondContact O-N 2.65Å; N848-L850 PolarHBondContact O-N 3.37Å; N848-D851 PolarHBondContact O-N 3.29Å; N848-D852 WeakPolarHBondContact O-CB 3.45Å; N848-D852 PolarHBondContact O-N 3.35Å |
| 849 | L | 80.3 | Confident | 80.9 | Confident | 20 Ų | 20 | 67.8 Ų | 67.8 | 11% | 0.105 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.6 | -29 | 175.8 | 179.3 | 63.9 | 0 | 0 | 0 | 113.6 | L826 Q845 V846 K847 V853 L884 V886 | L826-L849 HydrophobicContact CD2-CG 4.3Å; Q845-L849 PolarHBondContact O-N 3.05Å; V846-L849 PolarHBondContact O-N 3.13Å; K847-L849 PolarHBondContact O-N 3.41Å; L849-V853 WeakPolarHBondContact O-CG2 3.35Å; L849-V853 PolarHBondContact O-N 3.11Å; L849-L884 HydrophobicContact CD1-CB 4.47Å; L849-L884 HydrophobicContact CD1-CD2 4.06Å; L849-V886 HydrophobicContact CD1-CG2 4.07Å; L849-V886 HydrophobicContact CD2-CG2 4.09Å; L849-V886 HydrophobicContact CG-CG2 3.98Å |
| 850 | L | 81 | Confident | 80.7 | Confident | 19 Ų | 19 | 64 Ų | 64 | 10% | 0.099 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -76.6 | -45.2 | 173.3 | 179.7 | 63.4 | 0 | 0 | 0 | 111.5 | L826 K827 V830 V846 K847 N848 D852 V853 E854 | L826-L850 HydrophobicContact CD2-CB 4.05Å; L826-L850 HydrophobicContact CD2-CD1 3.97Å; L826-L850 HydrophobicContact CG-CB 4.38Å; L826-L850 HydrophobicContact CG-CD1 4.23Å; K827-L850 HydrophobicContact CD-CD1 4.41Å; K827-L850 HydrophobicContact CG-CD1 3.81Å; K827-L850 HydrophobicContact CG-CD2 3.89Å; V830-L850 HydrophobicContact CG2-CD2 4.49Å; V846-L850 PolarHBondContact O-N 3.02Å; K847-L850 WeakPolarHBondContact O-CA 3.35Å; K847-L850 WeakPolarHBondContact O-CB 3.21Å; K847-L850 PolarHBondContact O-N 3.36Å; N848-L850 PolarHBondContact O-N 3.37Å; L850-D852 VanDerWaalsContact C-N 3.33Å; L850-D852 PolarHBondContact O-N 3.02Å; L850-V853 WeakPolarHBondContact O-CB 3.5Å; L850-V853 PolarHBondContact O-N 3.1Å; L850-E854 PolarHBondContact O-N 2.93Å |
| 851 | D | 80.8 | Confident | 80.6 | Confident | 70 Ų | 70 | 69 Ų | 69 | 37% | 0.374 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 176.8 | -56.7 | -27.4 | 0 | 0 | 0 | 110.2 | K847 N848 V853 E854 E855 | K847-D851 WeakPolarHBondContact CE-OD1 3.5Å; K847-D851 WeakPolarHBondContact CE-OD2 3.43Å; K847-D851 PolarHBondContact O-N 3.37Å; N848-D851 PolarHBondContact O-N 3.29Å; D851-V853 VanDerWaalsContact C-N 3.28Å; D851-V853 PolarHBondContact O-N 3.47Å; D851-E854 PolarHBondContact O-N 3.23Å; D851-E855 PolarHBondContact O-N 3.13Å |
| 852 | D | 79.1 | Confident | 80.5 | Confident | 69 Ų | 69 | 71.9 Ų | 71.9 | 37% | 0.369 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64 | -27.8 | 177.5 | -59.3 | -28.1 | 0 | 0 | 0 | 112.7 | N848 L850 F856 L884 | N848-D852 WeakPolarHBondContact O-CB 3.45Å; N848-D852 PolarHBondContact O-N 3.35Å; L850-D852 VanDerWaalsContact C-N 3.33Å; L850-D852 PolarHBondContact O-N 3.02Å; D852-F856 PolarHBondContact O-N 3.06Å; D852-L884 HydrophobicContact CB-CD2 3.55Å |
| 853 | V | 80.5 | Confident | 80.2 | Confident | 5 Ų | 5 | 71.2 Ų | 71.2 | 3% | 0.03 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -75.3 | -38.1 | 177.5 | 156.7 | 0 | 0 | 0 | 0 | 112.1 | V823 L849 L850 D851 F856 H857 L884 V886 L888 | V823-V853 HydrophobicContact CG2-CG1 4.09Å; L849-V853 WeakPolarHBondContact O-CG2 3.35Å; L849-V853 PolarHBondContact O-N 3.11Å; L850-V853 WeakPolarHBondContact O-CB 3.5Å; L850-V853 PolarHBondContact O-N 3.1Å; D851-V853 VanDerWaalsContact C-N 3.28Å; D851-V853 PolarHBondContact O-N 3.47Å; V853-F856 PolarHBondContact O-N 3.33Å; V853-H857 PolarHBondContact O-N 2.83Å; V853-L884 HydrophobicContact CG2-CB 4.27Å; V853-L884 HydrophobicContact CG2-CD1 3.9Å; V853-L884 HydrophobicContact CG2-CD2 4.45Å; V853-L884 HydrophobicContact CG2-CG 4.42Å; V853-V886 HydrophobicContact CG2-CB 3.95Å; V853-V886 HydrophobicContact CG2-CG1 4.22Å; V853-V886 HydrophobicContact CG2-CG2 3.83Å; V853-L888 HydrophobicContact CG1-CD2 3.99Å; V853-L888 HydrophobicContact CG2-CD2 4.32Å |
| 854 | E | 80.1 | Confident | 79.7 | Confident | 93 Ų | 93 | 73.9 Ų | 73.9 | 44% | 0.435 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -70.5 | -35.8 | 177.1 | -63.5 | -172.9 | 155 | 0 | 0 | 110.6 | K827 L850 D851 F856 H857 | K827-E854 WeakPolarHBondContact CE-OE1 3.36Å; K827-E854 IonicContact NZ-OE1 3.15Å; K827-E854 PolarHBondContact NZ-OE1 3.49Å; L850-E854 PolarHBondContact O-N 2.93Å; D851-E854 PolarHBondContact O-N 3.23Å; E854-F856 VanDerWaalsContact C-N 3.34Å; E854-F856 PolarHBondContact O-N 3.43Å; E854-H857 PolarHBondContact O-N 3.31Å |
| 855 | E | 81.6 | Confident | 79.3 | Confident | 90 Ų | 90 | 72.3 Ų | 72.3 | 42% | 0.421 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.7 | -33.6 | 171.3 | -175 | 176.4 | 159.6 | 0 | 0 | 113.3 | D851 R859 | D851-E855 PolarHBondContact O-N 3.13Å; E855-R859 IonicContact OE1-CZ 2.86Å; E855-R859 IonicContact OE1-NH1 2.71Å; E855-R859 PolarHBondContact OE1-NH1 2.76Å; E855-R859 IonicContact OE1-NH2 2.73Å; E855-R859 PolarHBondContact OE1-NH2 3.12Å |
| 856 | F | 84.4 | Confident | 78.8 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68 | -40.4 | 176.6 | 165.6 | -89.6 | 0 | 0 | 0 | 112.7 | D852 V853 E854 E858 R859 A860 L877 M880 G881 L884 L888 E890 L891 L894 | D852-F856 PolarHBondContact O-N 3.06Å; V853-F856 PolarHBondContact O-N 3.33Å; E854-F856 VanDerWaalsContact C-N 3.34Å; E854-F856 PolarHBondContact O-N 3.43Å; F856-E858 VanDerWaalsContact C-N 3.34Å; F856-E858 PolarHBondContact O-N 3.3Å; F856-R859 PolarHBondContact O-N 2.88Å; F856-A860 HydrophobicContact CE1-CB 4.26Å; F856-A860 HydrophobicContact CE2-CB 4.43Å; F856-A860 HydrophobicContact CZ-CB 4.1Å; F856-A860 VanDerWaalsContact O-CB 3.31Å; F856-A860 WeakPolarHBondContact O-CB 3.35Å; F856-A860 PolarHBondContact O-N 2.97Å; F856-A860 VanDerWaalsContact O-N 3.07Å; F856-L877 WeakPolarHBondContact CE2-O 3.45Å; F856-M880 HydrophobicContact CB-CE 4.12Å; F856-M880 HydrophobicContact CD2-CE 3.85Å; F856-M880 HydrophobicContact CG-CE 4.41Å; F856-G881 VanDerWaalsContact CE2-CA 3.42Å; F856-L884 HydrophobicContact CB-CD1 3.69Å; F856-L884 HydrophobicContact CG-CD1 4.14Å; F856-L888 HydrophobicContact CD1-CB 4.49Å; F856-L888 HydrophobicContact CD1-CD1 3.79Å; F856-L888 HydrophobicContact CD1-CD2 3.81Å; F856-L888 HydrophobicContact CD1-CG 4.25Å; F856-L888 HydrophobicContact CE1-CB 3.92Å; F856-L888 HydrophobicContact CE1-CD1 3.82Å; F856-L888 HydrophobicContact CE1-CD2 4.08Å; F856-L888 HydrophobicContact CE1-CG 4.16Å; F856-L888 HydrophobicContact CG-CD1 4.23Å; F856-L888 HydrophobicContact CZ-CD1 4.31Å; F856-E890 HydrophobicContact CE1-CB 3.95Å; F856-E890 HydrophobicContact CE1-CG 4.48Å; F856-E890 WeakPolarHBondContact CE1-OE2 3.16Å; F856-E890 HydrophobicContact CZ-CB 4.08Å; F856-L891 HydrophobicContact CE2-CD2 4.16Å; F856-L891 HydrophobicContact CE2-CG 4.32Å; F856-L891 HydrophobicContact CZ-CB 4.49Å; F856-L891 HydrophobicContact CZ-CD2 4.1Å; F856-L891 HydrophobicContact CZ-CG 3.83Å; F856-L894 HydrophobicContact CE2-CD1 3.86Å; F856-L894 HydrophobicContact CZ-CD1 3.9Å |
| 857 | H | 80.1 | Confident | 78.1 | Confident | 83 Ų | 83 | 80.4 Ų | 80.4 | 38% | 0.384 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61 | -40.6 | -176.6 | -178.5 | 78.7 | 0 | 0 | 0 | 112.4 | V853 E854 Q861 E890 | V853-H857 PolarHBondContact O-N 2.83Å; E854-H857 PolarHBondContact O-N 3.31Å; H857-Q861 PolarHBondContact NE2-NE2 3.35Å; H857-E890 IonicContact CE1-OE1 3.58Å; H857-E890 PolarHBondContact CE1-OE1 2.92Å; H857-E890 VanDerWaalsContact CE1-OE1 3.24Å; H857-E890 IonicContact CG-OE1 3.69Å; H857-E890 IonicContact ND1-OE1 3.24Å; H857-E890 PolarHBondContact ND1-OE1 3.2Å |
| 858 | E | 79.2 | Confident | 77.3 | Confident | 149 Ų | 149 | 79.9 Ų | 79.9 | 70% | 0.696 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -65.1 | -53.2 | 178.5 | -64.3 | -170 | 152.7 | 0 | 0 | 112.1 | F856 A860 Q861 | F856-E858 VanDerWaalsContact C-N 3.34Å; F856-E858 PolarHBondContact O-N 3.3Å; E858-A860 VanDerWaalsContact C-N 3.28Å; E858-A860 PolarHBondContact O-N 3.34Å; E858-Q861 PolarHBondContact O-N 2.83Å |
| 859 | R | 82.6 | Confident | 76.6 | Confident | 105 Ų | 105 | 77.8 Ų | 77.8 | 40% | 0.396 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.5 | -28.9 | -177.5 | -63.8 | -162.4 | -177.2 | 109.7 | 13.5 | 113.7 | E855 F856 Q861 E862 L877 M880 | E855-R859 IonicContact OE1-CZ 2.86Å; E855-R859 IonicContact OE1-NH1 2.71Å; E855-R859 PolarHBondContact OE1-NH1 2.76Å; E855-R859 IonicContact OE1-NH2 2.73Å; E855-R859 PolarHBondContact OE1-NH2 3.12Å; F856-R859 PolarHBondContact O-N 2.88Å; R859-Q861 PolarHBondContact O-N 3.31Å; R859-E862 PolarHBondContact O-N 2.88Å; R859-L877 HydrophobicContact CB-CD2 3.64Å; R859-L877 WeakPolarHBondContact O-CD1 3.33Å; R859-M880 HydrophobicContact CB-CE 4.01Å; R859-M880 HydrophobicContact CG-CE 4.37Å; R859-M880 PolarHBondContact NH1-SD 3.46Å |
| 860 | A | 78.5 | Confident | 76.3 | Confident | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.9 | -27.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F856 E858 M864 E890 L894 | F856-A860 HydrophobicContact CE1-CB 4.26Å; F856-A860 HydrophobicContact CE2-CB 4.43Å; F856-A860 HydrophobicContact CZ-CB 4.1Å; F856-A860 VanDerWaalsContact O-CB 3.31Å; F856-A860 WeakPolarHBondContact O-CB 3.35Å; F856-A860 PolarHBondContact O-N 2.97Å; F856-A860 VanDerWaalsContact O-N 3.07Å; E858-A860 VanDerWaalsContact C-N 3.28Å; E858-A860 PolarHBondContact O-N 3.34Å; A860-M864 WeakPolarHBondContact O-CG 3.4Å; A860-E890 HydrophobicContact CB-CB 3.67Å; A860-E890 HydrophobicContact CB-CG 3.95Å; A860-L894 HydrophobicContact CB-CD1 3.9Å |
| 861 | Q | 78.5 | Confident | 76.1 | Confident | 112 Ų | 112 | 80.5 Ų | 80.5 | 52% | 0.523 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -78 | -37 | 177.1 | -62.2 | -177.1 | 26 | 0 | 0 | 112.5 | H857 E858 R859 M864 | H857-Q861 PolarHBondContact NE2-NE2 3.35Å; E858-Q861 PolarHBondContact O-N 2.83Å; R859-Q861 PolarHBondContact O-N 3.31Å; Q861-M864 PolarHBondContact O-N 3.19Å |
| 862 | E | 78.5 | Confident | 76 | Confident | 151 Ų | 151 | 80.7 Ų | 80.7 | 71% | 0.706 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -64.5 | -45.8 | -175.6 | -173.4 | 177.7 | -156.6 | 0 | 0 | 112.8 | R859 M864 | R859-E862 PolarHBondContact O-N 2.88Å; E862-M864 PolarHBondContact O-N 2.76Å |
| 863 | A | 72.5 | Confident | 75.9 | Confident | 17 Ų | 17 | 81.8 Ų | 81.8 | 14% | 0.14 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -75.3 | -5.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | M865 L877 | A863-M865 PolarHBondContact O-N 3.07Å; A863-L877 HydrophobicContact CB-CD1 3.3Å |
| 864 | M | 70.4 | Confident | 75.8 | Confident | 86 Ų | 86 | 81.8 Ų | 81.8 | 42% | 0.424 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -81.8 | 14.8 | 174.6 | -73.6 | -172.6 | 61 | 0 | 0 | 113.3 | A860 Q861 E862 R893 | A860-M864 WeakPolarHBondContact O-CG 3.4Å; Q861-M864 PolarHBondContact O-N 3.19Å; E862-M864 PolarHBondContact O-N 2.76Å; M864-R893 HydrophobicContact CE-CB 4.17Å; M864-R893 HydrophobicContact SD-CB 4.07Å |
| 865 | M | 73.7 | Confident | 75.8 | Confident | 164 Ų | 164 | 79.5 Ų | 79.5 | 81% | 0.808 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -125.2 | 6.1 | -172.1 | -60 | -174 | 64 | 0 | 0 | 115.4 | A863 | A863-M865 PolarHBondContact O-N 3.07Š|
| 866 | D | 70.2 | Confident | 75.7 | Confident | 80 Ų | 80 | 79.8 Ų | 79.8 | 43% | 0.428 | 41% | 0.406 | S | S | . | . | trans | -79.3 | 145 | 179 | -83.1 | -46.5 | 0 | 0 | 0 | 113.2 | T868 K873 | D866-T868 VanDerWaalsContact C-N 3.34Å; D866-T868 PolarHBondContact O-N 2.96Å; D866-K873 IonicContact OD1-NZ 3.43Å; D866-K873 PolarHBondContact OD1-NZ 3.33Å; D866-K873 WeakPolarHBondContact OD2-CD 3.5Å; D866-K873 IonicContact OD2-NZ 2.68Å; D866-K873 PolarHBondContact OD2-NZ 2.75Å | ||
| 867 | E | 65.5 | Low | 75.5 | Confident | 193 Ų | 193 | 80.5 Ų | 80.5 | 90% | 0.902 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -72.9 | -18.8 | 177.6 | -76.3 | -167.7 | 152.3 | 0 | 0 | 114.9 | ||
| 868 | T | 65.3 | Low | 75.5 | Confident | 103 Ų | 103 | 77.1 Ų | 77.1 | 63% | 0.632 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -140.1 | 124.5 | 177.8 | 49.7 | 0 | 0 | 0 | 0 | 109 | D866 D870 | D866-T868 VanDerWaalsContact C-N 3.34Å; D866-T868 PolarHBondContact O-N 2.96Å; T868-D870 PolarHBondContact O-N 3.33Å |
| 869 | P | 66.2 | Low | 75.5 | Confident | 25 Ų | 25 | 74.2 Ų | 74.2 | 16% | 0.162 | 38% | 0.383 | C | S | . | . | trans | -71.9 | 118.1 | -170.9 | 27.9 | -34.9 | 0 | 0 | 0 | 111.1 | L874 Q900 A901 | P869-L874 HydrophobicContact CB-CD1 3.92Å; P869-Q900 HydrophobicContact CG-CB 4.31Å; P869-A901 HydrophobicContact CB-CB 4.16Å; P869-A901 HydrophobicContact CG-CB 4.42Å; P869-A901 WeakPolarHBondContact O-CB 3.32Å | ||
| 870 | D | 74.3 | Confident | 75.4 | Confident | 55 Ų | 55 | 71 Ų | 71 | 29% | 0.294 | 37% | 0.373 | S | S | . | . | trans | -89.2 | 110.6 | -177.5 | -176.8 | -31.6 | 0 | 0 | 0 | 110.4 | T868 S872 K873 L874 | T868-D870 PolarHBondContact O-N 3.33Å; D870-S872 PolarHBondContact O-N 2.96Å; D870-S872 VanDerWaalsContact O-N 3.09Å; D870-S872 WeakPolarHBondContact OD1-CA 3.34Å; D870-S872 VanDerWaalsContact OD1-CB 3.3Å; D870-S872 WeakPolarHBondContact OD1-CB 3.49Å; D870-S872 PolarHBondContact OD1-N 3.03Å; D870-S872 PolarHBondContact OD1-OG 3.34Å; D870-K873 HydrophobicContact CB-CB 4.07Å; D870-K873 HydrophobicContact CB-CD 3.93Å; D870-K873 HydrophobicContact CB-CG 3.91Å; D870-K873 PolarHBondContact O-N 2.89Å; D870-K873 PolarHBondContact OD1-N 2.9Å; D870-K873 VanDerWaalsContact OD1-N 3.17Å; D870-K873 WeakPolarHBondContact OD2-CE 3.48Å; D870-L874 WeakPolarHBondContact O-CB 3.28Å; D870-L874 WeakPolarHBondContact O-CD1 3.44Å; D870-L874 WeakPolarHBondContact O-CG 3.45Å; D870-L874 PolarHBondContact O-N 3.18Å; D870-L874 VanDerWaalsContact O-N 3.11Å | ||
| 871 | S | 77.2 | Confident | 75.3 | Confident | 40 Ų | 40 | 71 Ų | 71 | 28% | 0.28 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.3 | -19.9 | -179 | 55 | 0 | 0 | 0 | 0 | 113.3 | Q875 L898 D905 | S871-Q875 WeakPolarHBondContact O-CB 3.49Å; S871-L898 WeakPolarHBondContact O-CD1 3.4Å; S871-D905 PolarHBondContact OG-OD2 2.78Å |
| 872 | S | 77 | Confident | 75.1 | Confident | 75 Ų | 75 | 67.6 Ų | 67.6 | 52% | 0.524 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -86.7 | -44 | 176.4 | 78 | 0 | 0 | 0 | 0 | 113.1 | D870 V876 | D870-S872 PolarHBondContact O-N 2.96Å; D870-S872 VanDerWaalsContact O-N 3.09Å; D870-S872 WeakPolarHBondContact OD1-CA 3.34Å; D870-S872 VanDerWaalsContact OD1-CB 3.3Å; D870-S872 WeakPolarHBondContact OD1-CB 3.49Å; D870-S872 PolarHBondContact OD1-N 3.03Å; D870-S872 PolarHBondContact OD1-OG 3.34Å; S872-V876 WeakPolarHBondContact O-CG2 3.2Å; S872-V876 PolarHBondContact O-N 3.11Å |
| 873 | K | 76.7 | Confident | 74.7 | Confident | 91 Ų | 91 | 63.2 Ų | 63.2 | 40% | 0.396 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.6 | -49.5 | 176 | -68 | -178.6 | -162.8 | 179.7 | 0 | 111.4 | D866 D870 Q875 V876 L877 | D866-K873 IonicContact OD1-NZ 3.43Å; D866-K873 PolarHBondContact OD1-NZ 3.33Å; D866-K873 WeakPolarHBondContact OD2-CD 3.5Å; D866-K873 IonicContact OD2-NZ 2.68Å; D866-K873 PolarHBondContact OD2-NZ 2.75Å; D870-K873 HydrophobicContact CB-CB 4.07Å; D870-K873 HydrophobicContact CB-CD 3.93Å; D870-K873 HydrophobicContact CB-CG 3.91Å; D870-K873 PolarHBondContact O-N 2.89Å; D870-K873 PolarHBondContact OD1-N 2.9Å; D870-K873 VanDerWaalsContact OD1-N 3.17Å; D870-K873 WeakPolarHBondContact OD2-CE 3.48Å; K873-Q875 VanDerWaalsContact C-N 3.3Å; K873-Q875 PolarHBondContact O-N 2.96Å; K873-V876 PolarHBondContact O-N 2.7Å; K873-L877 PolarHBondContact O-N 3.35Å |
| 874 | L | 80.1 | Confident | 74.6 | Confident | 6 Ų | 6 | 63.1 Ų | 63.1 | 3% | 0.031 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67 | -34.8 | -174.7 | -66.1 | 163.1 | 0 | 0 | 0 | 111.3 | P869 D870 L877 I878 L894 E897 L898 | P869-L874 HydrophobicContact CB-CD1 3.92Å; D870-L874 WeakPolarHBondContact O-CB 3.28Å; D870-L874 WeakPolarHBondContact O-CD1 3.44Å; D870-L874 WeakPolarHBondContact O-CG 3.45Å; D870-L874 PolarHBondContact O-N 3.18Å; D870-L874 VanDerWaalsContact O-N 3.11Å; L874-L877 PolarHBondContact O-N 2.67Å; L874-I878 WeakPolarHBondContact O-CD1 3.47Å; L874-I878 VanDerWaalsContact O-CG1 3.31Å; L874-I878 WeakPolarHBondContact O-CG1 3.24Å; L874-I878 PolarHBondContact O-N 2.92Å; L874-I878 VanDerWaalsContact O-N 3.09Å; L874-L894 HydrophobicContact CD2-CD2 4.23Å; L874-E897 HydrophobicContact CD1-CB 3.65Å; L874-E897 HydrophobicContact CD2-CB 3.78Å; L874-E897 HydrophobicContact CG-CB 4.33Å; L874-L898 HydrophobicContact CB-CB 4.04Å; L874-L898 HydrophobicContact CB-CD1 4.15Å |
| 875 | Q | 79.6 | Confident | 74.5 | Confident | 45 Ų | 45 | 62.4 Ų | 62.4 | 21% | 0.21 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.4 | -47.5 | 172.8 | -176.6 | 62.4 | 47.8 | 0 | 0 | 111.9 | S871 K873 L877 I878 D879 L898 | S871-Q875 WeakPolarHBondContact O-CB 3.49Å; K873-Q875 VanDerWaalsContact C-N 3.3Å; K873-Q875 PolarHBondContact O-N 2.96Å; Q875-L877 VanDerWaalsContact C-N 3.32Å; Q875-L877 PolarHBondContact O-N 3.23Å; Q875-I878 PolarHBondContact O-N 2.79Å; Q875-D879 WeakPolarHBondContact CG-OD2 3.31Å; Q875-D879 PolarHBondContact NE2-OD1 3.42Å; Q875-D879 PolarHBondContact NE2-OD2 2.85Å; Q875-D879 WeakPolarHBondContact O-CB 3.2Å; Q875-D879 PolarHBondContact O-N 2.93Å; Q875-L898 HydrophobicContact CB-CD1 4.2Å; Q875-L898 VanDerWaalsContact OE1-CD2 3.28Å |
| 876 | V | 79.3 | Confident | 74.4 | Confident | 96 Ų | 96 | 55 Ų | 55 | 58% | 0.582 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -58.9 | -41.7 | -179 | 169.9 | 0 | 0 | 0 | 0 | 111.9 | S872 K873 D879 M880 | S872-V876 WeakPolarHBondContact O-CG2 3.2Å; S872-V876 PolarHBondContact O-N 3.11Å; K873-V876 PolarHBondContact O-N 2.7Å; V876-D879 PolarHBondContact O-N 3.28Å; V876-M880 WeakPolarHBondContact O-CB 3.46Å; V876-M880 PolarHBondContact O-N 3.35Å |
| 877 | L | 80.9 | Confident | 74.4 | Confident | 14 Ų | 14 | 56.4 Ų | 56.4 | 7% | 0.073 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -72.8 | -34.7 | 179.1 | -61.3 | -179.6 | 0 | 0 | 0 | 112.7 | F856 R859 A863 K873 L874 Q875 M880 G881 L894 | F856-L877 WeakPolarHBondContact CE2-O 3.45Å; R859-L877 HydrophobicContact CB-CD2 3.64Å; R859-L877 WeakPolarHBondContact O-CD1 3.33Å; A863-L877 HydrophobicContact CB-CD1 3.3Å; K873-L877 PolarHBondContact O-N 3.35Å; L874-L877 PolarHBondContact O-N 2.67Å; Q875-L877 VanDerWaalsContact C-N 3.32Å; Q875-L877 PolarHBondContact O-N 3.23Å; L877-M880 HydrophobicContact CD2-CE 3.75Å; L877-M880 PolarHBondContact O-N 3.13Å; L877-G881 PolarHBondContact O-N 3.21Å; L877-L894 HydrophobicContact CB-CD1 3.82Å; L877-L894 HydrophobicContact CB-CD2 4.24Å; L877-L894 HydrophobicContact CD1-CD2 3.9Å |
| 878 | I | 80.1 | Confident | 74.6 | Confident | 12 Ų | 12 | 47.9 Ų | 47.9 | 6% | 0.062 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.4 | -36.9 | 174.6 | -69.2 | 161 | 0 | 0 | 0 | 111.2 | L874 Q875 S882 L894 K895 L898 | L874-I878 WeakPolarHBondContact O-CD1 3.47Å; L874-I878 VanDerWaalsContact O-CG1 3.31Å; L874-I878 WeakPolarHBondContact O-CG1 3.24Å; L874-I878 PolarHBondContact O-N 2.92Å; L874-I878 VanDerWaalsContact O-N 3.09Å; Q875-I878 PolarHBondContact O-N 2.79Å; I878-S882 WeakPolarHBondContact O-CA 3.46Å; I878-S882 WeakPolarHBondContact O-CB 3.36Å; I878-S882 PolarHBondContact O-N 3.37Å; I878-S882 PolarHBondContact O-OG 2.85Å; I878-L894 HydrophobicContact CD1-CB 4.2Å; I878-L894 WeakPolarHBondContact CD1-O 3.45Å; I878-L894 HydrophobicContact CG1-CB 3.74Å; I878-K895 HydrophobicContact CD1-CB 4.42Å; I878-K895 HydrophobicContact CD1-CG 3.9Å; I878-K895 HydrophobicContact CG1-CG 4.06Å; I878-K895 HydrophobicContact CG2-CG 4.16Å; I878-L898 HydrophobicContact CD1-CB 3.41Å; I878-L898 VanDerWaalsContact CD1-CB 3.41Å; I878-L898 HydrophobicContact CD1-CD2 3.36Å; I878-L898 HydrophobicContact CD1-CG 3.96Å |
| 879 | D | 78.2 | Confident | 75 | Confident | 88 Ų | 88 | 47.2 Ų | 47.2 | 47% | 0.471 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.1 | -41.8 | 174.6 | -73.6 | -27.3 | 0 | 0 | 0 | 111 | Q875 V876 S883 | Q875-D879 WeakPolarHBondContact CG-OD2 3.31Å; Q875-D879 PolarHBondContact NE2-OD1 3.42Å; Q875-D879 PolarHBondContact NE2-OD2 2.85Å; Q875-D879 WeakPolarHBondContact O-CB 3.2Å; Q875-D879 PolarHBondContact O-N 2.93Å; V876-D879 PolarHBondContact O-N 3.28Å; D879-S883 WeakPolarHBondContact O-CB 3.48Å; D879-S883 PolarHBondContact O-N 2.86Å |
| 880 | M | 80.7 | Confident | 75.4 | Confident | 38 Ų | 38 | 47.2 Ų | 47.2 | 19% | 0.187 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.2 | -58.8 | 172.6 | -170.5 | 172.1 | 68.2 | 0 | 0 | 110.7 | F856 R859 V876 L877 S882 S883 | F856-M880 HydrophobicContact CB-CE 4.12Å; F856-M880 HydrophobicContact CD2-CE 3.85Å; F856-M880 HydrophobicContact CG-CE 4.41Å; R859-M880 HydrophobicContact CB-CE 4.01Å; R859-M880 HydrophobicContact CG-CE 4.37Å; R859-M880 PolarHBondContact NH1-SD 3.46Å; V876-M880 WeakPolarHBondContact O-CB 3.46Å; V876-M880 PolarHBondContact O-N 3.35Å; L877-M880 HydrophobicContact CD2-CE 3.75Å; L877-M880 PolarHBondContact O-N 3.13Å; M880-S882 PolarHBondContact O-N 3.25Å; M880-S883 WeakPolarHBondContact O-CB 3.33Å; M880-S883 PolarHBondContact O-N 2.96Å; M880-S883 VanDerWaalsContact O-N 3.15Å; M880-S883 PolarHBondContact O-OG 3.28Å |
| 881 | G | 77.3 | Confident | 75.5 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63 | -36.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | F856 L877 S883 L884 | F856-G881 VanDerWaalsContact CE2-CA 3.42Å; L877-G881 PolarHBondContact O-N 3.21Å; G881-S883 PolarHBondContact O-N 3.49Å; G881-L884 WeakPolarHBondContact O-CB 3.37Å; G881-L884 PolarHBondContact O-N 2.89Å; G881-L884 VanDerWaalsContact O-N 3.15Å |
| 882 | S | 73.9 | Confident | 75.4 | Confident | 41 Ų | 41 | 47.5 Ų | 47.5 | 29% | 0.287 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -77.8 | -6.5 | 179.1 | -55 | 0 | 0 | 0 | 0 | 113.6 | I878 M880 | I878-S882 WeakPolarHBondContact O-CA 3.46Å; I878-S882 WeakPolarHBondContact O-CB 3.36Å; I878-S882 PolarHBondContact O-N 3.37Å; I878-S882 PolarHBondContact O-OG 2.85Å; M880-S882 PolarHBondContact O-N 3.25Å |
| 883 | S | 70.3 | Confident | 75.3 | Confident | 59 Ų | 59 | 51.1 Ų | 51.1 | 41% | 0.413 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -83.5 | -16.3 | 167.8 | 83 | 0 | 0 | 0 | 0 | 113.1 | D879 M880 G881 Y885 | D879-S883 WeakPolarHBondContact O-CB 3.48Å; D879-S883 PolarHBondContact O-N 2.86Å; M880-S883 WeakPolarHBondContact O-CB 3.33Å; M880-S883 PolarHBondContact O-N 2.96Å; M880-S883 VanDerWaalsContact O-N 3.15Å; M880-S883 PolarHBondContact O-OG 3.28Å; G881-S883 PolarHBondContact O-N 3.49Å; S883-Y885 WeakPolarHBondContact O-CD2 3.42Å; S883-Y885 WeakPolarHBondContact O-CE2 3.41Å |
| 884 | L | 70.8 | Confident | 75.5 | Confident | 15 Ų | 15 | 46.8 Ų | 46.8 | 8% | 0.079 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -91.3 | 130.8 | 179 | -53.8 | 173.4 | 0 | 0 | 0 | 109.9 | L849 D852 V853 F856 G881 V886 L888 | L849-L884 HydrophobicContact CD1-CB 4.47Å; L849-L884 HydrophobicContact CD1-CD2 4.06Å; D852-L884 HydrophobicContact CB-CD2 3.55Å; V853-L884 HydrophobicContact CG2-CB 4.27Å; V853-L884 HydrophobicContact CG2-CD1 3.9Å; V853-L884 HydrophobicContact CG2-CD2 4.45Å; V853-L884 HydrophobicContact CG2-CG 4.42Å; F856-L884 HydrophobicContact CB-CD1 3.69Å; F856-L884 HydrophobicContact CG-CD1 4.14Å; G881-L884 WeakPolarHBondContact O-CB 3.37Å; G881-L884 PolarHBondContact O-N 2.89Å; G881-L884 VanDerWaalsContact O-N 3.15Å; L884-V886 VanDerWaalsContact C-N 3.27Å; L884-V886 PolarHBondContact O-N 3.03Å; L884-L888 HydrophobicContact CB-CD1 3.98Å; L884-L888 HydrophobicContact CD1-CD1 3.87Å |
| 885 | Y | 68.2 | Low | 75.2 | Confident | 71 Ų | 71 | 50.4 Ų | 50.4 | 28% | 0.278 | 26% | 0.263 | S | S | . | . | trans | -95.8 | 43.4 | -175 | -74.1 | -101.1 | 0 | 0 | 0 | 111.6 | K804 S883 | K804-Y885 HydrophobicContact CG-CE2 4.13Å; S883-Y885 WeakPolarHBondContact O-CD2 3.42Å; S883-Y885 WeakPolarHBondContact O-CE2 3.41Å | ||
| 886 | V | 71.4 | Confident | 75.1 | Confident | 9 Ų | 9 | 52.7 Ų | 52.7 | 6% | 0.055 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -130.9 | 157.3 | -170.3 | -173.3 | 0 | 0 | 0 | 0 | 108.9 | L821 V823 L826 L849 V853 L884 L888 | L821-V886 WeakPolarHBondContact O-CG1 3.45Å; V823-V886 HydrophobicContact CG2-CG1 4.46Å; L826-V886 HydrophobicContact CD2-CG1 4.37Å; L826-V886 HydrophobicContact CD2-CG2 3.83Å; L849-V886 HydrophobicContact CD1-CG2 4.07Å; L849-V886 HydrophobicContact CD2-CG2 4.09Å; L849-V886 HydrophobicContact CG-CG2 3.98Å; V853-V886 HydrophobicContact CG2-CB 3.95Å; V853-V886 HydrophobicContact CG2-CG1 4.22Å; V853-V886 HydrophobicContact CG2-CG2 3.83Å; L884-V886 VanDerWaalsContact C-N 3.27Å; L884-V886 PolarHBondContact O-N 3.03Å; V886-L888 PolarHBondContact O-N 3.32Å |
| 887 | E | 68.8 | Low | 74.8 | Confident | 108 Ų | 108 | 50.9 Ų | 50.9 | 51% | 0.505 | 26% | 0.259 | S | S | . | . | trans | -76.8 | 117.4 | 173.4 | -172.1 | 146.7 | -119.4 | 0 | 0 | 111.3 | L821 | L821-E887 PolarHBondContact O-N 3.43Š| ||
| 888 | L | 70.9 | Confident | 74.9 | Confident | 15 Ų | 15 | 50.8 Ų | 50.8 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | trans | -124.4 | 112.2 | -172.7 | -67.8 | 174 | 0 | 0 | 0 | 110.7 | V853 F856 L884 V886 E890 L891 | V853-L888 HydrophobicContact CG1-CD2 3.99Å; V853-L888 HydrophobicContact CG2-CD2 4.32Å; F856-L888 HydrophobicContact CD1-CB 4.49Å; F856-L888 HydrophobicContact CD1-CD1 3.79Å; F856-L888 HydrophobicContact CD1-CD2 3.81Å; F856-L888 HydrophobicContact CD1-CG 4.25Å; F856-L888 HydrophobicContact CE1-CB 3.92Å; F856-L888 HydrophobicContact CE1-CD1 3.82Å; F856-L888 HydrophobicContact CE1-CD2 4.08Å; F856-L888 HydrophobicContact CE1-CG 4.16Å; F856-L888 HydrophobicContact CG-CD1 4.23Å; F856-L888 HydrophobicContact CZ-CD1 4.31Å; L884-L888 HydrophobicContact CB-CD1 3.98Å; L884-L888 HydrophobicContact CD1-CD1 3.87Å; V886-L888 PolarHBondContact O-N 3.32Å; L888-E890 VanDerWaalsContact C-N 3.31Å; L888-E890 PolarHBondContact O-N 3.43Å; L888-L891 HydrophobicContact CB-CB 4.35Å; L888-L891 HydrophobicContact CB-CD1 4.13Å; L888-L891 HydrophobicContact CB-CG 4.13Å; L888-L891 HydrophobicContact CD1-CD1 4.05Å; L888-L891 HydrophobicContact CD1-CG 4.28Å | ||
| 889 | P | 73.7 | Confident | 74.7 | Confident | 89 Ų | 89 | 55.4 Ų | 55.4 | 58% | 0.578 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -75.3 | -11.1 | -173.6 | 28.1 | -32.7 | 0 | 0 | 0 | 115.1 | P892 | P889-P892 WeakPolarHBondContact O-CD 3.45Š|
| 890 | E | 75.2 | Confident | 74.7 | Confident | 25 Ų | 25 | 51.4 Ų | 51.4 | 12% | 0.117 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -89.3 | -27 | 178.2 | -51.3 | 73.3 | -165.4 | 0 | 0 | 112.5 | F856 H857 A860 L888 P892 R893 L894 | F856-E890 HydrophobicContact CE1-CB 3.95Å; F856-E890 HydrophobicContact CE1-CG 4.48Å; F856-E890 WeakPolarHBondContact CE1-OE2 3.16Å; F856-E890 HydrophobicContact CZ-CB 4.08Å; H857-E890 IonicContact CE1-OE1 3.58Å; H857-E890 PolarHBondContact CE1-OE1 2.92Å; H857-E890 VanDerWaalsContact CE1-OE1 3.24Å; H857-E890 IonicContact CG-OE1 3.69Å; H857-E890 IonicContact ND1-OE1 3.24Å; H857-E890 PolarHBondContact ND1-OE1 3.2Å; A860-E890 HydrophobicContact CB-CB 3.67Å; A860-E890 HydrophobicContact CB-CG 3.95Å; L888-E890 VanDerWaalsContact C-N 3.31Å; L888-E890 PolarHBondContact O-N 3.43Å; E890-P892 VanDerWaalsContact C-CD 3.44Å; E890-P892 VanDerWaalsContact C-N 3.33Å; E890-R893 PolarHBondContact O-N 2.9Å; E890-L894 PolarHBondContact O-N 3.14Å; E890-L894 VanDerWaalsContact O-N 3.1Å |
| 891 | L | 75.9 | Confident | 74.6 | Confident | 19 Ų | 19 | 49.8 Ų | 49.8 | 10% | 0.099 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -52.5 | -40.2 | 178.4 | -96.8 | -174.2 | 0 | 0 | 0 | 114.1 | F856 L888 R893 K895 | F856-L891 HydrophobicContact CE2-CD2 4.16Å; F856-L891 HydrophobicContact CE2-CG 4.32Å; F856-L891 HydrophobicContact CZ-CB 4.49Å; F856-L891 HydrophobicContact CZ-CD2 4.1Å; F856-L891 HydrophobicContact CZ-CG 3.83Å; L888-L891 HydrophobicContact CB-CB 4.35Å; L888-L891 HydrophobicContact CB-CD1 4.13Å; L888-L891 HydrophobicContact CB-CG 4.13Å; L888-L891 HydrophobicContact CD1-CD1 4.05Å; L888-L891 HydrophobicContact CD1-CG 4.28Å; L891-R893 VanDerWaalsContact C-N 3.34Å; L891-K895 WeakPolarHBondContact O-CB 3.31Å; L891-K895 VanDerWaalsContact O-CD 3.32Å; L891-K895 WeakPolarHBondContact O-CD 3.32Å; L891-K895 WeakPolarHBondContact O-CG 3.37Å; L891-K895 PolarHBondContact O-N 3.15Å |
| 892 | P | 74.9 | Confident | 74.9 | Confident | 82 Ų | 82 | 56.1 Ų | 56.1 | 53% | 0.532 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.5 | -39.8 | 173.9 | -25.2 | 35.4 | 0 | 0 | 0 | 113.3 | P889 E890 K895 Q896 | P889-P892 WeakPolarHBondContact O-CD 3.45Å; E890-P892 VanDerWaalsContact C-CD 3.44Å; E890-P892 VanDerWaalsContact C-N 3.33Å; P892-K895 PolarHBondContact O-N 2.92Å; P892-Q896 PolarHBondContact O-N 2.95Å |
| 893 | R | 75.5 | Confident | 75.5 | Confident | 151 Ų | 151 | 54.4 Ų | 54.4 | 57% | 0.57 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -72.4 | -46.8 | -176.6 | -59.7 | -172.4 | -179.7 | 175.4 | -3.1 | 111.8 | M864 E890 L891 K895 Q896 E897 | M864-R893 HydrophobicContact CE-CB 4.17Å; M864-R893 HydrophobicContact SD-CB 4.07Å; E890-R893 PolarHBondContact O-N 2.9Å; L891-R893 VanDerWaalsContact C-N 3.34Å; R893-K895 PolarHBondContact O-N 3.26Å; R893-Q896 WeakPolarHBondContact O-CB 3.43Å; R893-Q896 PolarHBondContact O-N 3.3Å; R893-Q896 VanDerWaalsContact O-N 3.09Å; R893-E897 PolarHBondContact O-N 3.31Å |
| 894 | L | 79.1 | Confident | 76 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.4 | -40.9 | 175 | -69.3 | 168.6 | 0 | 0 | 0 | 111.4 | F856 A860 L874 L877 I878 E890 Q896 E897 L898 | F856-L894 HydrophobicContact CE2-CD1 3.86Å; F856-L894 HydrophobicContact CZ-CD1 3.9Å; A860-L894 HydrophobicContact CB-CD1 3.9Å; L874-L894 HydrophobicContact CD2-CD2 4.23Å; L877-L894 HydrophobicContact CB-CD1 3.82Å; L877-L894 HydrophobicContact CB-CD2 4.24Å; L877-L894 HydrophobicContact CD1-CD2 3.9Å; I878-L894 HydrophobicContact CD1-CB 4.2Å; I878-L894 WeakPolarHBondContact CD1-O 3.45Å; I878-L894 HydrophobicContact CG1-CB 3.74Å; E890-L894 PolarHBondContact O-N 3.14Å; E890-L894 VanDerWaalsContact O-N 3.1Å; L894-Q896 VanDerWaalsContact C-N 3.33Å; L894-Q896 PolarHBondContact O-N 3.01Å; L894-E897 PolarHBondContact O-N 3.2Å; L894-L898 PolarHBondContact O-N 3.19Å |
| 895 | K | 75.1 | Confident | 76.5 | Confident | 82 Ų | 82 | 54.9 Ų | 54.9 | 36% | 0.357 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.4 | -37.4 | 177.6 | -75.3 | 167.9 | -175.1 | 168.2 | 0 | 113 | I878 L891 P892 R893 E897 L898 Q899 | I878-K895 HydrophobicContact CD1-CB 4.42Å; I878-K895 HydrophobicContact CD1-CG 3.9Å; I878-K895 HydrophobicContact CG1-CG 4.06Å; I878-K895 HydrophobicContact CG2-CG 4.16Å; L891-K895 WeakPolarHBondContact O-CB 3.31Å; L891-K895 VanDerWaalsContact O-CD 3.32Å; L891-K895 WeakPolarHBondContact O-CD 3.32Å; L891-K895 WeakPolarHBondContact O-CG 3.37Å; L891-K895 PolarHBondContact O-N 3.15Å; P892-K895 PolarHBondContact O-N 2.92Å; R893-K895 PolarHBondContact O-N 3.26Å; K895-E897 VanDerWaalsContact C-N 3.33Å; K895-L898 PolarHBondContact O-N 3.29Å; K895-Q899 VanDerWaalsContact O-CG 3.23Å; K895-Q899 WeakPolarHBondContact O-CG 3.21Å; K895-Q899 PolarHBondContact O-N 3.25Å; K895-Q899 PolarHBondContact O-OE1 3.19Å |
| 896 | Q | 76.3 | Confident | 77.2 | Confident | 93 Ų | 93 | 56.1 Ų | 56.1 | 44% | 0.435 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.4 | -36.7 | 177.1 | -171.3 | 173.9 | 4.7 | 0 | 0 | 112.2 | P892 R893 L894 Q900 A933 | P892-Q896 PolarHBondContact O-N 2.95Å; R893-Q896 WeakPolarHBondContact O-CB 3.43Å; R893-Q896 PolarHBondContact O-N 3.3Å; R893-Q896 VanDerWaalsContact O-N 3.09Å; L894-Q896 VanDerWaalsContact C-N 3.33Å; L894-Q896 PolarHBondContact O-N 3.01Å; Q896-Q900 PolarHBondContact O-NE2 3.26Å; Q896-Q900 VanDerWaalsContact O-NE2 3.09Å; Q896-A933 HydrophobicContact CG-CB 4.3Å |
| 897 | E | 74.7 | Confident | 77.7 | Confident | 57 Ų | 57 | 56 Ų | 56 | 27% | 0.266 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -73.2 | -43.2 | 173.6 | -65.8 | -52.8 | 125.2 | 0 | 0 | 112.3 | L874 R893 L894 K895 Q899 Q900 A901 | L874-E897 HydrophobicContact CD1-CB 3.65Å; L874-E897 HydrophobicContact CD2-CB 3.78Å; L874-E897 HydrophobicContact CG-CB 4.33Å; R893-E897 PolarHBondContact O-N 3.31Å; L894-E897 PolarHBondContact O-N 3.2Å; K895-E897 VanDerWaalsContact C-N 3.33Å; E897-Q899 PolarHBondContact O-N 3.2Å; E897-Q900 WeakPolarHBondContact O-CB 3.4Å; E897-Q900 PolarHBondContact O-N 2.81Å; E897-Q900 VanDerWaalsContact O-N 3.16Å; E897-Q900 PolarHBondContact OE1-NE2 3.02Å; E897-Q900 PolarHBondContact OE2-NE2 2.73Å; E897-Q900 VanDerWaalsContact OE2-NE2 3.16Å; E897-A901 PolarHBondContact O-N 3.33Å |
| 898 | L | 81.8 | Confident | 78.3 | Confident | 12 Ų | 12 | 58.4 Ų | 58.4 | 6% | 0.063 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60 | -36.6 | 177.3 | 177.7 | 65.7 | 0 | 0 | 0 | 112.1 | S871 L874 Q875 I878 L894 K895 A901 R902 | S871-L898 WeakPolarHBondContact O-CD1 3.4Å; L874-L898 HydrophobicContact CB-CB 4.04Å; L874-L898 HydrophobicContact CB-CD1 4.15Å; Q875-L898 HydrophobicContact CB-CD1 4.2Å; Q875-L898 VanDerWaalsContact OE1-CD2 3.28Å; I878-L898 HydrophobicContact CD1-CB 3.41Å; I878-L898 VanDerWaalsContact CD1-CB 3.41Å; I878-L898 HydrophobicContact CD1-CD2 3.36Å; I878-L898 HydrophobicContact CD1-CG 3.96Å; L894-L898 PolarHBondContact O-N 3.19Å; K895-L898 PolarHBondContact O-N 3.29Å; L898-A901 PolarHBondContact O-N 3.06Å; L898-R902 HydrophobicContact CD1-CG 3.92Å; L898-R902 HydrophobicContact CG-CG 4.16Å; L898-R902 WeakPolarHBondContact O-CB 3.41Å; L898-R902 WeakPolarHBondContact O-CG 3.35Å; L898-R902 PolarHBondContact O-N 3.11Å |
| 899 | Q | 76.3 | Confident | 78.8 | Confident | 109 Ų | 109 | 63.6 Ų | 63.6 | 51% | 0.509 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 177.4 | -77.3 | 168 | -34.4 | 0 | 0 | 111.7 | K895 E897 W903 L932 | K895-Q899 VanDerWaalsContact O-CG 3.23Å; K895-Q899 WeakPolarHBondContact O-CG 3.21Å; K895-Q899 PolarHBondContact O-N 3.25Å; K895-Q899 PolarHBondContact O-OE1 3.19Å; E897-Q899 PolarHBondContact O-N 3.2Å; Q899-W903 WeakPolarHBondContact O-CB 3.46Å; Q899-W903 PolarHBondContact O-N 3.04Å; Q899-W903 VanDerWaalsContact O-N 3.15Å; Q899-L932 HydrophobicContact CB-CD2 3.62Å |
| 900 | Q | 78.1 | Confident | 79.1 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.019 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.4 | -47.3 | 177.1 | -68.2 | 166.6 | 72.6 | 0 | 0 | 112 | P869 Q896 E897 L932 | P869-Q900 HydrophobicContact CG-CB 4.31Å; Q896-Q900 PolarHBondContact O-NE2 3.26Å; Q896-Q900 VanDerWaalsContact O-NE2 3.09Å; E897-Q900 WeakPolarHBondContact O-CB 3.4Å; E897-Q900 PolarHBondContact O-N 2.81Å; E897-Q900 VanDerWaalsContact O-N 3.16Å; E897-Q900 PolarHBondContact OE1-NE2 3.02Å; E897-Q900 PolarHBondContact OE2-NE2 2.73Å; E897-Q900 VanDerWaalsContact OE2-NE2 3.16Å; Q900-L932 HydrophobicContact CG-CB 4.18Å; Q900-L932 HydrophobicContact CG-CD2 4.37Å |
| 901 | A | 79.4 | Confident | 79.2 | Confident | 4 Ų | 4 | 62.8 Ų | 62.8 | 3% | 0.033 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.2 | -48.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | P869 E897 L898 W903 L904 | P869-A901 HydrophobicContact CB-CB 4.16Å; P869-A901 HydrophobicContact CG-CB 4.42Å; P869-A901 WeakPolarHBondContact O-CB 3.32Å; E897-A901 PolarHBondContact O-N 3.33Å; L898-A901 PolarHBondContact O-N 3.06Å; A901-W903 VanDerWaalsContact C-N 3.34Å; A901-W903 PolarHBondContact O-N 3Å; A901-L904 PolarHBondContact O-N 2.85Å |
| 902 | R | 82.5 | Confident | 79.4 | Confident | 134 Ų | 134 | 66.3 Ų | 66.3 | 51% | 0.506 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.7 | -39.9 | -179.5 | -76.9 | 178.5 | 167.3 | -151.2 | -0.8 | 113 | L898 L904 D905 E906 | L898-R902 HydrophobicContact CD1-CG 3.92Å; L898-R902 HydrophobicContact CG-CG 4.16Å; L898-R902 WeakPolarHBondContact O-CB 3.41Å; L898-R902 WeakPolarHBondContact O-CG 3.35Å; L898-R902 PolarHBondContact O-N 3.11Å; R902-L904 VanDerWaalsContact C-N 3.31Å; R902-L904 PolarHBondContact O-N 2.9Å; R902-D905 WeakPolarHBondContact O-CB 3.49Å; R902-D905 PolarHBondContact O-N 3.21Å; R902-D905 VanDerWaalsContact O-N 3.13Å; R902-E906 PolarHBondContact O-N 2.99Å |
| 903 | W | 87.4 | Confident | 79.4 | Confident | 5 Ų | 5 | 64.8 Ų | 64.8 | 2% | 0.019 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.5 | -42 | -178.4 | -178.6 | 85.7 | 0 | 0 | 0 | 112.2 | Q899 A901 D905 E906 V907 L925 S928 G929 L932 V938 A941 M942 L945 | Q899-W903 WeakPolarHBondContact O-CB 3.46Å; Q899-W903 PolarHBondContact O-N 3.04Å; Q899-W903 VanDerWaalsContact O-N 3.15Å; A901-W903 VanDerWaalsContact C-N 3.34Å; A901-W903 PolarHBondContact O-N 3Å; W903-D905 PolarHBondContact O-N 2.68Å; W903-E906 PolarHBondContact O-N 2.95Å; W903-E906 VanDerWaalsContact O-N 3.14Å; W903-V907 HydrophobicContact CD2-CG2 4Å; W903-V907 HydrophobicContact CE3-CG2 4.22Å; W903-V907 HydrophobicContact CH2-CG2 3.9Å; W903-V907 HydrophobicContact CZ2-CG2 3.65Å; W903-V907 HydrophobicContact CZ3-CG2 4.15Å; W903-V907 WeakPolarHBondContact O-CG2 3.49Å; W903-V907 PolarHBondContact O-N 2.86Å; W903-V907 VanDerWaalsContact O-N 3.08Å; W903-L925 WeakPolarHBondContact CZ2-O 3.36Å; W903-L925 PolarHBondContact NE1-O 3.41Å; W903-S928 PolarHBondContact NE1-OG 3.28Å; W903-S928 VanDerWaalsContact NE1-OG 3.14Å; W903-G929 VanDerWaalsContact NE1-N 3.19Å; W903-L932 HydrophobicContact CB-CD1 3.73Å; W903-L932 HydrophobicContact CD2-CD1 3.9Å; W903-L932 HydrophobicContact CE3-CD1 4.25Å; W903-L932 HydrophobicContact CG-CD1 3.67Å; W903-V938 HydrophobicContact CD2-CG1 4.47Å; W903-V938 HydrophobicContact CE3-CB 4.38Å; W903-V938 HydrophobicContact CE3-CG1 3.95Å; W903-V938 HydrophobicContact CE3-CG2 4.22Å; W903-V938 HydrophobicContact CH2-CG1 4.05Å; W903-V938 WeakPolarHBondContact CH2-O 3.36Å; W903-V938 HydrophobicContact CZ3-CB 4.12Å; W903-V938 HydrophobicContact CZ3-CG1 3.74Å; W903-V938 HydrophobicContact CZ3-CG2 4.4Å; W903-A941 HydrophobicContact CH2-CB 3.64Å; W903-A941 HydrophobicContact CZ3-CB 3.71Å; W903-M942 HydrophobicContact CH2-CG 3.6Å; W903-M942 HydrophobicContact CZ2-CG 3.68Å; W903-L945 HydrophobicContact CZ2-CD1 4.28Å |
| 904 | L | 80.7 | Confident | 79.2 | Confident | 22 Ų | 22 | 61.6 Ų | 61.6 | 12% | 0.115 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62 | -31.7 | 177.2 | -67.2 | 167.8 | 0 | 0 | 0 | 112.4 | A901 R902 R908 A937 V938 | A901-L904 PolarHBondContact O-N 2.85Å; R902-L904 VanDerWaalsContact C-N 3.31Å; R902-L904 PolarHBondContact O-N 2.9Å; L904-R908 WeakPolarHBondContact O-CG 3.33Å; L904-R908 PolarHBondContact O-NE 3.44Å; L904-R908 VanDerWaalsContact O-NE 3.08Å; L904-R908 PolarHBondContact O-NH1 3.05Å; L904-R908 PolarHBondContact O-NH2 3.32Å; L904-A937 HydrophobicContact CD1-CB 3.97Å; L904-A937 HydrophobicContact CD2-CB 4Å; L904-A937 WeakPolarHBondContact CD2-O 3.49Å; L904-V938 HydrophobicContact CD2-CG2 4.41Å |
| 905 | D | 80.8 | Confident | 78.8 | Confident | 61 Ų | 61 | 69.3 Ų | 69.3 | 33% | 0.326 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -74.7 | -39.5 | 173.8 | -68.7 | -34.5 | 0 | 0 | 0 | 112.2 | S871 R902 W903 R908 L909 | S871-D905 PolarHBondContact OG-OD2 2.78Å; R902-D905 WeakPolarHBondContact O-CB 3.49Å; R902-D905 PolarHBondContact O-N 3.21Å; R902-D905 VanDerWaalsContact O-N 3.13Å; W903-D905 PolarHBondContact O-N 2.68Å; D905-R908 PolarHBondContact O-N 3.16Å; D905-R908 IonicContact OD1-CZ 2.73Å; D905-R908 IonicContact OD1-NE 3.12Å; D905-R908 IonicContact OD1-NH2 2.7Å; D905-R908 PolarHBondContact OD1-NH2 2.82Å; D905-L909 WeakPolarHBondContact O-CG 3.31Å; D905-L909 PolarHBondContact O-N 2.73Å; D905-L909 VanDerWaalsContact O-N 3.12Å |
| 906 | E | 82.3 | Confident | 78.7 | Confident | 98 Ų | 98 | 70.5 Ų | 70.5 | 46% | 0.458 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.1 | -48 | -179.8 | -157.8 | -179.9 | 158.3 | 0 | 0 | 111.8 | R902 W903 R908 L909 T910 L925 | R902-E906 PolarHBondContact O-N 2.99Å; W903-E906 PolarHBondContact O-N 2.95Å; W903-E906 VanDerWaalsContact O-N 3.14Å; E906-R908 VanDerWaalsContact C-N 3.32Å; E906-R908 PolarHBondContact O-N 3.16Å; E906-L909 PolarHBondContact O-N 2.77Å; E906-T910 PolarHBondContact O-N 3.4Å; E906-T910 PolarHBondContact O-OG1 3.35Å; E906-T910 VanDerWaalsContact O-OG1 3.07Å; E906-L925 HydrophobicContact CB-CD2 4.11Å; E906-L925 HydrophobicContact CG-CD2 3.82Å |
| 907 | V | 83.3 | Confident | 78.9 | Confident | 7 Ų | 7 | 66.4 Ų | 66.4 | 4% | 0.042 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.3 | -42.3 | 177.3 | 180 | 0 | 0 | 0 | 0 | 111.8 | W903 L909 T910 L911 L925 A941 L945 | W903-V907 HydrophobicContact CD2-CG2 4Å; W903-V907 HydrophobicContact CE3-CG2 4.22Å; W903-V907 HydrophobicContact CH2-CG2 3.9Å; W903-V907 HydrophobicContact CZ2-CG2 3.65Å; W903-V907 HydrophobicContact CZ3-CG2 4.15Å; W903-V907 WeakPolarHBondContact O-CG2 3.49Å; W903-V907 PolarHBondContact O-N 2.86Å; W903-V907 VanDerWaalsContact O-N 3.08Å; V907-L909 VanDerWaalsContact C-N 3.34Å; V907-L909 PolarHBondContact O-N 3.34Å; V907-T910 PolarHBondContact O-N 3.3Å; V907-L911 HydrophobicContact CG1-CD1 3.96Å; V907-L911 PolarHBondContact O-N 3.32Å; V907-L925 HydrophobicContact CG2-CB 4.43Å; V907-L925 HydrophobicContact CG2-CD1 4.31Å; V907-L925 HydrophobicContact CG2-CD2 4Å; V907-L925 HydrophobicContact CG2-CG 4.49Å; V907-A941 HydrophobicContact CG1-CB 4.32Å; V907-L945 HydrophobicContact CG1-CD1 3.9Å; V907-L945 HydrophobicContact CG1-CD2 4.38Å; V907-L945 HydrophobicContact CG1-CG 4.21Å; V907-L945 HydrophobicContact CG2-CD1 3.89Å |
| 908 | R | 80.3 | Confident | 79.3 | Confident | 157 Ų | 157 | 65.1 Ų | 65.1 | 59% | 0.592 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.6 | -37.1 | 178.8 | -77.6 | -173.9 | -74.2 | -101.6 | 6.5 | 112.8 | L904 D905 E906 | L904-R908 WeakPolarHBondContact O-CG 3.33Å; L904-R908 PolarHBondContact O-NE 3.44Å; L904-R908 VanDerWaalsContact O-NE 3.08Å; L904-R908 PolarHBondContact O-NH1 3.05Å; L904-R908 PolarHBondContact O-NH2 3.32Å; D905-R908 PolarHBondContact O-N 3.16Å; D905-R908 IonicContact OD1-CZ 2.73Å; D905-R908 IonicContact OD1-NE 3.12Å; D905-R908 IonicContact OD1-NH2 2.7Å; D905-R908 PolarHBondContact OD1-NH2 2.82Å; E906-R908 VanDerWaalsContact C-N 3.32Å; E906-R908 PolarHBondContact O-N 3.16Å |
| 909 | L | 81.3 | Confident | 79.5 | Confident | 124 Ų | 124 | 65.8 Ų | 65.8 | 65% | 0.649 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -72.6 | -48 | 177.6 | -76.4 | 163.6 | 0 | 0 | 0 | 111.4 | D905 E906 V907 L911 S912 | D905-L909 WeakPolarHBondContact O-CG 3.31Å; D905-L909 PolarHBondContact O-N 2.73Å; D905-L909 VanDerWaalsContact O-N 3.12Å; E906-L909 PolarHBondContact O-N 2.77Å; V907-L909 VanDerWaalsContact C-N 3.34Å; V907-L909 PolarHBondContact O-N 3.34Å; L909-L911 PolarHBondContact O-N 3.26Å; L909-S912 WeakPolarHBondContact O-CB 3.47Å; L909-S912 PolarHBondContact O-N 3.18Å; L909-S912 PolarHBondContact O-OG 3.38Å |
| 910 | T | 79.5 | Confident | 79.7 | Confident | 18 Ų | 18 | 65.6 Ų | 65.6 | 11% | 0.11 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60 | -41.3 | -174.4 | -62 | 0 | 0 | 0 | 0 | 113.6 | E906 V907 S912 V921 L925 | E906-T910 PolarHBondContact O-N 3.4Å; E906-T910 PolarHBondContact O-OG1 3.35Å; E906-T910 VanDerWaalsContact O-OG1 3.07Å; V907-T910 PolarHBondContact O-N 3.3Å; T910-S912 PolarHBondContact O-N 3.34Å; T910-V921 HydrophobicContact CG2-CG1 3.37Å; T910-L925 HydrophobicContact CG2-CD1 3.81Å |
| 911 | L | 78.8 | Confident | 80 | Confident | 80 Ų | 80 | 67.3 Ų | 67.3 | 42% | 0.419 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -0.4 | -177.1 | -67 | 173.1 | 0 | 0 | 0 | 114 | V907 L909 L945 L948 | V907-L911 HydrophobicContact CG1-CD1 3.96Å; V907-L911 PolarHBondContact O-N 3.32Å; L909-L911 PolarHBondContact O-N 3.26Å; L911-L945 HydrophobicContact CD2-CD2 4.19Å; L911-L948 HydrophobicContact CD2-CD2 4.29Å |
| 912 | S | 79.3 | Confident | 80.2 | Confident | 92 Ų | 92 | 67.2 Ų | 67.2 | 64% | 0.643 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -14.7 | -179.4 | 71.7 | 0 | 0 | 0 | 0 | 115.2 | L909 T910 | L909-S912 WeakPolarHBondContact O-CB 3.47Å; L909-S912 PolarHBondContact O-N 3.18Å; L909-S912 PolarHBondContact O-OG 3.38Å; T910-S912 PolarHBondContact O-N 3.34Å |
| 913 | D | 75 | Confident | 80.3 | Confident | 51 Ų | 51 | 64.4 Ų | 64.4 | 27% | 0.273 | 33% | 0.331 | S | S | . | . | trans | -132 | 109.3 | -178.3 | -178.2 | -2.3 | 0 | 0 | 0 | 112.2 | Q915 Q916 V917 | D913-Q915 PolarHBondContact O-N 2.81Å; D913-Q915 WeakPolarHBondContact OD1-CB 3.44Å; D913-Q915 PolarHBondContact OD1-N 3.14Å; D913-Q916 HydrophobicContact CB-CB 4.27Å; D913-Q916 HydrophobicContact CB-CG 4.1Å; D913-Q916 PolarHBondContact O-N 3.39Å; D913-Q916 PolarHBondContact OD2-NE2 2.8Å; D913-V917 PolarHBondContact O-N 3.36Å | ||
| 914 | P | 70.3 | Confident | 80.1 | Confident | 84 Ų | 84 | 70.3 Ų | 70.3 | 55% | 0.545 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -16.7 | 177.9 | -25.6 | 35.2 | 0 | 0 | 0 | 115.7 | ||
| 915 | Q | 72.2 | Confident | 80.3 | Confident | 162 Ų | 162 | 69.3 Ų | 69.3 | 76% | 0.757 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -18.8 | 174.6 | -57.3 | -170 | 21.3 | 0 | 0 | 112.7 | D913 | D913-Q915 PolarHBondContact O-N 2.81Å; D913-Q915 WeakPolarHBondContact OD1-CB 3.44Å; D913-Q915 PolarHBondContact OD1-N 3.14Å |
| 916 | Q | 72.2 | Confident | 80.5 | Confident | 107 Ų | 107 | 67.2 Ų | 67.2 | 50% | 0.5 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -18.4 | 176.6 | -65.5 | 178.5 | 55.9 | 0 | 0 | 112.7 | D913 T918 | D913-Q916 HydrophobicContact CB-CB 4.27Å; D913-Q916 HydrophobicContact CB-CG 4.1Å; D913-Q916 PolarHBondContact O-N 3.39Å; D913-Q916 PolarHBondContact OD2-NE2 2.8Å; Q916-T918 PolarHBondContact O-N 3.36Å |
| 917 | V | 81 | Confident | 80.6 | Confident | 6 Ų | 6 | 67.8 Ų | 67.8 | 4% | 0.036 | 35% | 0.346 | C | S | . | . | trans | -72.4 | 87.6 | 175.1 | -177.3 | 0 | 0 | 0 | 0 | 110.4 | D913 M922 L948 A986 F987 | D913-V917 PolarHBondContact O-N 3.36Å; V917-M922 HydrophobicContact CG1-CE 3.99Å; V917-M922 HydrophobicContact CG1-CG 4.15Å; V917-M922 HydrophobicContact CG1-SD 3.78Å; V917-L948 HydrophobicContact CG1-CD2 3.9Å; V917-A986 HydrophobicContact CG1-CB 4.09Å; V917-A986 WeakPolarHBondContact O-CA 3.41Å; V917-F987 PolarHBondContact O-N 3.47Å | ||
| 918 | T | 83.6 | Confident | 80.5 | Confident | 30 Ų | 30 | 69.6 Ų | 69.6 | 18% | 0.184 | 36% | 0.359 | C | S | . | . | B | Isolated β-bridge | trans | -104.6 | 161.2 | 171.8 | 74 | 0 | 0 | 0 | 0 | 111 | Q916 D920 V921 M922 F987 | Q916-T918 PolarHBondContact O-N 3.36Å; T918-D920 VanDerWaalsContact C-N 3.31Å; T918-D920 PolarHBondContact O-N 3.19Å; T918-V921 PolarHBondContact O-N 3.44Å; T918-V921 WeakPolarHBondContact OG1-CB 3.34Å; T918-V921 WeakPolarHBondContact OG1-CG2 3.29Å; T918-V921 PolarHBondContact OG1-N 2.86Å; T918-M922 PolarHBondContact O-N 3.06Å; T918-F987 HydrophobicContact CG2-CB 4.16Å; T918-F987 HydrophobicContact CG2-CD1 3.95Å; T918-F987 HydrophobicContact CG2-CG 4.47Å |
| 919 | L | 84.4 | Confident | 80.5 | Confident | 26 Ų | 26 | 62.3 Ų | 62.3 | 14% | 0.136 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.7 | -45.1 | 173.4 | -61.3 | -172.4 | 0 | 0 | 0 | 112.1 | V921 M922 K923 L949 E953 E956 | L919-V921 VanDerWaalsContact C-N 3.29Å; L919-V921 PolarHBondContact O-N 3.05Å; L919-M922 HydrophobicContact CD2-CE 3.94Å; L919-M922 PolarHBondContact O-N 3.18Å; L919-K923 WeakPolarHBondContact O-CB 3.42Å; L919-K923 WeakPolarHBondContact O-CG 3.41Å; L919-K923 PolarHBondContact O-N 3.38Å; L919-L949 HydrophobicContact CD2-CD1 4.25Å; L919-E953 HydrophobicContact CD1-CG 4.3Å; L919-E953 HydrophobicContact CD2-CG 4.08Å; L919-E956 HydrophobicContact CD1-CB 3.68Å; L919-E956 HydrophobicContact CD1-CG 3.76Å |
| 920 | D | 81.8 | Confident | 80.5 | Confident | 106 Ų | 106 | 61.3 Ų | 61.3 | 57% | 0.567 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -66.5 | -32.7 | -179.1 | -61.5 | -55.1 | 0 | 0 | 0 | 111.9 | T918 K924 | T918-D920 VanDerWaalsContact C-N 3.31Å; T918-D920 PolarHBondContact O-N 3.19Å; D920-K924 VanDerWaalsContact O-CB 3.25Å; D920-K924 WeakPolarHBondContact O-CB 3.45Å; D920-K924 VanDerWaalsContact O-CD 3.23Å; D920-K924 WeakPolarHBondContact O-CD 3.41Å; D920-K924 WeakPolarHBondContact O-CG 3.31Å; D920-K924 PolarHBondContact O-N 3.21Å |
| 921 | V | 83.8 | Confident | 80.2 | Confident | 40 Ų | 40 | 63.5 Ų | 63.5 | 24% | 0.242 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -71.1 | -45.5 | 175 | 166.2 | 0 | 0 | 0 | 0 | 110.9 | T910 T918 L919 K923 K924 L925 | T910-V921 HydrophobicContact CG2-CG1 3.37Å; T918-V921 PolarHBondContact O-N 3.44Å; T918-V921 WeakPolarHBondContact OG1-CB 3.34Å; T918-V921 WeakPolarHBondContact OG1-CG2 3.29Å; T918-V921 PolarHBondContact OG1-N 2.86Å; L919-V921 VanDerWaalsContact C-N 3.29Å; L919-V921 PolarHBondContact O-N 3.05Å; V921-K923 VanDerWaalsContact C-N 3.35Å; V921-K923 PolarHBondContact O-N 3.38Å; V921-K924 PolarHBondContact O-N 3.17Å; V921-L925 HydrophobicContact CG1-CD1 4.37Å; V921-L925 WeakPolarHBondContact O-CG 3.28Å; V921-L925 PolarHBondContact O-N 3.11Å |
| 922 | M | 84.5 | Confident | 80 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 175.7 | -71.6 | -176.9 | -74.1 | 0 | 0 | 112.2 | V917 T918 L919 L925 I926 L948 L949 A986 | V917-M922 HydrophobicContact CG1-CE 3.99Å; V917-M922 HydrophobicContact CG1-CG 4.15Å; V917-M922 HydrophobicContact CG1-SD 3.78Å; T918-M922 PolarHBondContact O-N 3.06Å; L919-M922 HydrophobicContact CD2-CE 3.94Å; L919-M922 PolarHBondContact O-N 3.18Å; M922-L925 PolarHBondContact O-N 2.83Å; M922-I926 WeakPolarHBondContact O-CG1 3.44Å; M922-I926 PolarHBondContact O-N 2.77Å; M922-I926 VanDerWaalsContact O-N 3.08Å; M922-L948 HydrophobicContact SD-CB 3.94Å; M922-L948 HydrophobicContact SD-CD2 3.85Å; M922-L948 HydrophobicContact SD-CG 3.6Å; M922-L948 VanDerWaalsContact SD-CG 3.6Å; M922-L949 HydrophobicContact CB-CB 4.27Å; M922-L949 HydrophobicContact CB-CD1 4.11Å; M922-L949 HydrophobicContact CE-CD1 4.48Å; M922-L949 HydrophobicContact SD-CB 4.41Å; M922-A986 HydrophobicContact CE-CB 4.48Å |
| 923 | K | 85.2 | Confident | 79.6 | Confident | 76 Ų | 76 | 57.6 Ų | 57.6 | 33% | 0.33 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.6 | -51.3 | 173.1 | -73.1 | -177.3 | -177.8 | -167.8 | 0 | 111.7 | L919 V921 L925 I926 D927 L949 E953 | L919-K923 WeakPolarHBondContact O-CB 3.42Å; L919-K923 WeakPolarHBondContact O-CG 3.41Å; L919-K923 PolarHBondContact O-N 3.38Å; V921-K923 VanDerWaalsContact C-N 3.35Å; V921-K923 PolarHBondContact O-N 3.38Å; K923-L925 VanDerWaalsContact C-N 3.26Å; K923-L925 PolarHBondContact O-N 3.46Å; K923-I926 CarbonylContact O-C 3.42Å; K923-I926 PolarHBondContact O-N 2.98Å; K923-D927 WeakPolarHBondContact O-CB 3.46Å; K923-D927 PolarHBondContact O-N 2.91Å; K923-L949 HydrophobicContact CG-CD1 3.83Å; K923-L949 HydrophobicContact CG-CD2 3.82Å; K923-E953 WeakPolarHBondContact CE-OE1 3.19Å; K923-E953 IonicContact NZ-OE1 3.72Å; K923-E953 PolarHBondContact NZ-OE1 2.94Å |
| 924 | K | 83 | Confident | 79.5 | Confident | 129 Ų | 129 | 61.4 Ų | 61.4 | 56% | 0.561 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -53.2 | -42.5 | 176.8 | -77.8 | 163.2 | -168.4 | 168.8 | 0 | 112.4 | D920 V921 S928 | D920-K924 VanDerWaalsContact O-CB 3.25Å; D920-K924 WeakPolarHBondContact O-CB 3.45Å; D920-K924 VanDerWaalsContact O-CD 3.23Å; D920-K924 WeakPolarHBondContact O-CD 3.41Å; D920-K924 WeakPolarHBondContact O-CG 3.31Å; D920-K924 PolarHBondContact O-N 3.21Å; V921-K924 PolarHBondContact O-N 3.17Å; K924-S928 WeakPolarHBondContact O-CB 3.44Å; K924-S928 PolarHBondContact O-N 3.39Å; K924-S928 PolarHBondContact O-OG 3.25Å |
| 925 | L | 84.4 | Confident | 79.7 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68 | -35.4 | 176.9 | -69.7 | 176.8 | 0 | 0 | 0 | 113 | W903 E906 V907 T910 V921 M922 K923 S928 G929 L945 | W903-L925 WeakPolarHBondContact CZ2-O 3.36Å; W903-L925 PolarHBondContact NE1-O 3.41Å; E906-L925 HydrophobicContact CB-CD2 4.11Å; E906-L925 HydrophobicContact CG-CD2 3.82Å; V907-L925 HydrophobicContact CG2-CB 4.43Å; V907-L925 HydrophobicContact CG2-CD1 4.31Å; V907-L925 HydrophobicContact CG2-CD2 4Å; V907-L925 HydrophobicContact CG2-CG 4.49Å; T910-L925 HydrophobicContact CG2-CD1 3.81Å; V921-L925 HydrophobicContact CG1-CD1 4.37Å; V921-L925 WeakPolarHBondContact O-CG 3.28Å; V921-L925 PolarHBondContact O-N 3.11Å; M922-L925 PolarHBondContact O-N 2.83Å; K923-L925 VanDerWaalsContact C-N 3.26Å; K923-L925 PolarHBondContact O-N 3.46Å; L925-S928 PolarHBondContact O-OG 3Å; L925-G929 PolarHBondContact O-N 3.15Å; L925-G929 VanDerWaalsContact O-N 3.16Å; L925-L945 HydrophobicContact CB-CD1 3.66Å; L925-L945 HydrophobicContact CB-CD2 4.42Å; L925-L945 HydrophobicContact CD1-CD1 4.31Å; L925-L945 HydrophobicContact CD1-CD2 3.93Å |
| 926 | I | 85.3 | Confident | 80.1 | Confident | 17 Ų | 17 | 59 Ų | 59 | 9% | 0.087 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -72.6 | -48.4 | 175 | -66.9 | 162.4 | 0 | 0 | 0 | 110.2 | M922 K923 S928 G929 V930 L945 Q946 L949 | M922-I926 WeakPolarHBondContact O-CG1 3.44Å; M922-I926 PolarHBondContact O-N 2.77Å; M922-I926 VanDerWaalsContact O-N 3.08Å; K923-I926 CarbonylContact O-C 3.42Å; K923-I926 PolarHBondContact O-N 2.98Å; I926-S928 VanDerWaalsContact C-N 3.34Å; I926-S928 PolarHBondContact O-N 3.01Å; I926-G929 WeakPolarHBondContact O-CA 3.3Å; I926-G929 PolarHBondContact O-N 2.7Å; I926-V930 HydrophobicContact CG2-CG2 4.29Å; I926-V930 WeakPolarHBondContact O-CG2 3.37Å; I926-V930 PolarHBondContact O-N 2.99Å; I926-L945 HydrophobicContact CD1-CB 3.98Å; I926-L945 HydrophobicContact CG1-CB 3.76Å; I926-L945 HydrophobicContact CG1-CD1 4.35Å; I926-Q946 HydrophobicContact CD1-CB 4.43Å; I926-L949 HydrophobicContact CD1-CB 4.31Å; I926-L949 HydrophobicContact CD1-CD2 3.73Å |
| 927 | D | 82.9 | Confident | 80.2 | Confident | 109 Ų | 109 | 55.9 Ų | 55.9 | 58% | 0.583 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -58.8 | -43.1 | 178.2 | -63.8 | -33 | 0 | 0 | 0 | 111.6 | K923 G929 G931 | K923-D927 WeakPolarHBondContact O-CB 3.46Å; K923-D927 PolarHBondContact O-N 2.91Å; D927-G929 VanDerWaalsContact C-N 3.26Å; D927-G929 PolarHBondContact O-N 2.86Å; D927-G931 PolarHBondContact O-N 2.66Å |
| 928 | S | 81.7 | Confident | 80.2 | Confident | 46 Ų | 46 | 55.8 Ų | 55.8 | 32% | 0.322 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -74.9 | -13.4 | 176.3 | 70.8 | 0 | 0 | 0 | 0 | 113.8 | W903 K924 L925 I926 L932 | W903-S928 PolarHBondContact NE1-OG 3.28Å; W903-S928 VanDerWaalsContact NE1-OG 3.14Å; K924-S928 WeakPolarHBondContact O-CB 3.44Å; K924-S928 PolarHBondContact O-N 3.39Å; K924-S928 PolarHBondContact O-OG 3.25Å; L925-S928 PolarHBondContact O-OG 3Å; I926-S928 VanDerWaalsContact C-N 3.34Å; I926-S928 PolarHBondContact O-N 3.01Å; S928-L932 VanDerWaalsContact O-CG 3.27Å; S928-L932 WeakPolarHBondContact O-CG 3.46Å |
| 929 | G | 80.5 | Confident | 80.2 | Confident | 3 Ų | 3 | 59.6 Ų | 59.6 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -86.2 | -43.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | W903 L925 I926 D927 G931 L932 | W903-G929 VanDerWaalsContact NE1-N 3.19Å; L925-G929 PolarHBondContact O-N 3.15Å; L925-G929 VanDerWaalsContact O-N 3.16Å; I926-G929 WeakPolarHBondContact O-CA 3.3Å; I926-G929 PolarHBondContact O-N 2.7Å; D927-G929 VanDerWaalsContact C-N 3.26Å; D927-G929 PolarHBondContact O-N 2.86Å; G929-G931 PolarHBondContact O-N 2.83Å; G929-L932 WeakPolarHBondContact O-CB 3.31Å; G929-L932 WeakPolarHBondContact O-CG 3.49Å; G929-L932 PolarHBondContact O-N 3.25Å; G929-L932 VanDerWaalsContact O-N 3.16Å |
| 930 | V | 81.4 | Confident | 80.1 | Confident | 104 Ų | 104 | 64.4 Ų | 64.4 | 63% | 0.63 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -64.3 | -28.1 | 177.8 | 170.9 | 0 | 0 | 0 | 0 | 112 | I926 L932 M942 | I926-V930 HydrophobicContact CG2-CG2 4.29Å; I926-V930 WeakPolarHBondContact O-CG2 3.37Å; I926-V930 PolarHBondContact O-N 2.99Å; V930-L932 VanDerWaalsContact C-N 3.28Å; V930-L932 PolarHBondContact O-N 2.95Å; V930-M942 HydrophobicContact CG2-SD 3.93Å |
| 931 | G | 72.8 | Confident | 80.2 | Confident | 64 Ų | 64 | 60.1 Ų | 60.1 | 66% | 0.66 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | 1.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116 | D927 G929 | D927-G931 PolarHBondContact O-N 2.66Å; G929-G931 PolarHBondContact O-N 2.83Å |
| 932 | L | 75.1 | Confident | 80.1 | Confident | 30 Ų | 30 | 60.2 Ų | 60.2 | 16% | 0.157 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -88.7 | 164.3 | -177.1 | -59.8 | 175.5 | 0 | 0 | 0 | 112.8 | Q899 Q900 W903 S928 G929 V930 V938 | Q899-L932 HydrophobicContact CB-CD2 3.62Å; Q900-L932 HydrophobicContact CG-CB 4.18Å; Q900-L932 HydrophobicContact CG-CD2 4.37Å; W903-L932 HydrophobicContact CB-CD1 3.73Å; W903-L932 HydrophobicContact CD2-CD1 3.9Å; W903-L932 HydrophobicContact CE3-CD1 4.25Å; W903-L932 HydrophobicContact CG-CD1 3.67Å; S928-L932 VanDerWaalsContact O-CG 3.27Å; S928-L932 WeakPolarHBondContact O-CG 3.46Å; G929-L932 WeakPolarHBondContact O-CB 3.31Å; G929-L932 WeakPolarHBondContact O-CG 3.49Å; G929-L932 PolarHBondContact O-N 3.25Å; G929-L932 VanDerWaalsContact O-N 3.16Å; V930-L932 VanDerWaalsContact C-N 3.28Å; V930-L932 PolarHBondContact O-N 2.95Å; L932-V938 HydrophobicContact CD1-CG1 3.69Å; L932-V938 HydrophobicContact CD1-CG2 3.93Å |
| 933 | A | 70.1 | Confident | 80 | Confident | 18 Ų | 18 | 63.3 Ų | 63.3 | 15% | 0.149 | 36% | 0.361 | C | S | . | . | trans | -65.6 | 148.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q896 H935 | Q896-A933 HydrophobicContact CG-CB 4.3Å; A933-H935 PolarHBondContact O-N 2.97Å; A933-H935 VanDerWaalsContact O-N 3.1Å | ||
| 934 | P | 73 | Confident | 79.9 | Confident | 130 Ų | 130 | 64.6 Ų | 64.6 | 84% | 0.844 | 37% | 0.368 | S | S | * | . | trans | -61.7 | 113.1 | -179.6 | -24 | 34.7 | 0 | 0 | 0 | 112.5 | ||||
| 935 | H | 75.6 | Confident | 80 | Confident | 48 Ų | 48 | 58.4 Ų | 58.4 | 22% | 0.222 | 34% | 0.341 | C | S | . | . | trans | -144 | 128.6 | -179.6 | -179.7 | -88.7 | 0 | 0 | 0 | 110.6 | A933 A937 V938 E939 | A933-H935 PolarHBondContact O-N 2.97Å; A933-H935 VanDerWaalsContact O-N 3.1Å; H935-A937 VanDerWaalsContact C-N 3.29Å; H935-A937 PolarHBondContact ND1-N 2.85Å; H935-A937 PolarHBondContact O-N 2.8Å; H935-A937 VanDerWaalsContact O-N 3.09Å; H935-V938 HydrophobicContact CB-CG2 4.12Å; H935-V938 VanDerWaalsContact O-CB 3.32Å; H935-V938 WeakPolarHBondContact O-CB 3.39Å; H935-V938 PolarHBondContact O-N 3.07Å; H935-E939 PolarHBondContact O-N 2.73Å | ||
| 936 | H | 79 | Confident | 80 | Confident | 149 Ų | 149 | 62.7 Ų | 62.7 | 69% | 0.69 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -53 | -39.3 | -168.6 | 175.6 | 50.3 | 0 | 0 | 0 | 114.8 | V938 E939 | H936-V938 PolarHBondContact O-N 2.7Å; H936-E939 IonicContact ND1-OE2 3.16Å; H936-E939 PolarHBondContact O-N 2.88Å |
| 937 | A | 75.8 | Confident | 80.1 | Confident | 40 Ų | 40 | 68.9 Ų | 68.9 | 33% | 0.331 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.8 | -26 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L904 H935 | L904-A937 HydrophobicContact CD1-CB 3.97Å; L904-A937 HydrophobicContact CD2-CB 4Å; L904-A937 WeakPolarHBondContact CD2-O 3.49Å; H935-A937 VanDerWaalsContact C-N 3.29Å; H935-A937 PolarHBondContact ND1-N 2.85Å; H935-A937 PolarHBondContact O-N 2.8Å; H935-A937 VanDerWaalsContact O-N 3.09Å |
| 938 | V | 80.8 | Confident | 80.2 | Confident | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.024 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -73.4 | -47.6 | 178.8 | 179.6 | 0 | 0 | 0 | 0 | 110.1 | W903 L904 L932 H935 H936 K940 A941 M942 | W903-V938 HydrophobicContact CD2-CG1 4.47Å; W903-V938 HydrophobicContact CE3-CB 4.38Å; W903-V938 HydrophobicContact CE3-CG1 3.95Å; W903-V938 HydrophobicContact CE3-CG2 4.22Å; W903-V938 HydrophobicContact CH2-CG1 4.05Å; W903-V938 WeakPolarHBondContact CH2-O 3.36Å; W903-V938 HydrophobicContact CZ3-CB 4.12Å; W903-V938 HydrophobicContact CZ3-CG1 3.74Å; W903-V938 HydrophobicContact CZ3-CG2 4.4Å; L904-V938 HydrophobicContact CD2-CG2 4.41Å; L932-V938 HydrophobicContact CD1-CG1 3.69Å; L932-V938 HydrophobicContact CD1-CG2 3.93Å; H935-V938 HydrophobicContact CB-CG2 4.12Å; H935-V938 VanDerWaalsContact O-CB 3.32Å; H935-V938 WeakPolarHBondContact O-CB 3.39Å; H935-V938 PolarHBondContact O-N 3.07Å; H936-V938 PolarHBondContact O-N 2.7Å; V938-K940 VanDerWaalsContact C-N 3.29Å; V938-K940 PolarHBondContact O-N 3.17Å; V938-A941 PolarHBondContact O-N 2.76Å; V938-M942 HydrophobicContact CG1-CE 4.08Å; V938-M942 HydrophobicContact CG1-CG 4.37Å; V938-M942 HydrophobicContact CG1-SD 4.26Å; V938-M942 PolarHBondContact O-N 3.13Å; V938-M942 VanDerWaalsContact O-N 3.15Å |
| 939 | E | 83.4 | Confident | 80.4 | Confident | 110 Ų | 110 | 64.1 Ų | 64.1 | 51% | 0.514 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -52.2 | -45 | -179.7 | -58.4 | 177.4 | 135.8 | 0 | 0 | 112.6 | H935 H936 A943 | H935-E939 PolarHBondContact O-N 2.73Å; H936-E939 IonicContact ND1-OE2 3.16Å; H936-E939 PolarHBondContact O-N 2.88Å; E939-A943 PolarHBondContact O-N 3.35Å |
| 940 | K | 82.4 | Confident | 80.7 | Confident | 127 Ų | 127 | 67.8 Ų | 67.8 | 55% | 0.552 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62 | -48 | -179 | -172.2 | -176 | -179.6 | -84.6 | 0 | 112.4 | V938 A943 E944 | V938-K940 VanDerWaalsContact C-N 3.29Å; V938-K940 PolarHBondContact O-N 3.17Å; K940-A943 PolarHBondContact O-N 3.23Å; K940-E944 IonicContact NZ-OE1 3.66Å; K940-E944 PolarHBondContact NZ-OE1 2.7Å |
| 941 | A | 82.7 | Confident | 80.9 | Confident | 16 Ų | 16 | 66.5 Ų | 66.5 | 13% | 0.132 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -74.5 | -26.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | W903 V907 V938 A943 E944 L945 | W903-A941 HydrophobicContact CH2-CB 3.64Å; W903-A941 HydrophobicContact CZ3-CB 3.71Å; V907-A941 HydrophobicContact CG1-CB 4.32Å; V938-A941 PolarHBondContact O-N 2.76Å; A941-A943 VanDerWaalsContact C-N 3.33Å; A941-A943 PolarHBondContact O-N 3.48Å; A941-E944 PolarHBondContact O-N 3.31Å; A941-L945 PolarHBondContact O-N 3.16Å |
| 942 | M | 83.5 | Confident | 81.5 | Confident | 43 Ų | 43 | 63.4 Ų | 63.4 | 21% | 0.212 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.2 | -38.9 | 171.5 | -70.7 | -168.3 | -65.4 | 0 | 0 | 111.9 | W903 V930 V938 E944 L945 Q946 | W903-M942 HydrophobicContact CH2-CG 3.6Å; W903-M942 HydrophobicContact CZ2-CG 3.68Å; V930-M942 HydrophobicContact CG2-SD 3.93Å; V938-M942 HydrophobicContact CG1-CE 4.08Å; V938-M942 HydrophobicContact CG1-CG 4.37Å; V938-M942 HydrophobicContact CG1-SD 4.26Å; V938-M942 PolarHBondContact O-N 3.13Å; V938-M942 VanDerWaalsContact O-N 3.15Å; M942-E944 PolarHBondContact O-N 3.41Å; M942-L945 PolarHBondContact O-N 3.38Å; M942-Q946 WeakPolarHBondContact O-CB 3.24Å; M942-Q946 PolarHBondContact O-N 3.06Å; M942-Q946 VanDerWaalsContact O-N 3.08Å |
| 943 | A | 82.1 | Confident | 82 | Confident | 65 Ų | 65 | 65.2 Ų | 65.2 | 54% | 0.537 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E939 K940 A941 Q946 | E939-A943 PolarHBondContact O-N 3.35Å; K940-A943 PolarHBondContact O-N 3.23Å; A941-A943 VanDerWaalsContact C-N 3.33Å; A941-A943 PolarHBondContact O-N 3.48Å; A943-Q946 PolarHBondContact O-N 2.94Å |
| 944 | E | 82.7 | Confident | 82.8 | Confident | 103 Ų | 103 | 73.9 Ų | 73.9 | 48% | 0.481 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.2 | -35.6 | 179.2 | -66.7 | 172.4 | -172.3 | 0 | 0 | 111.9 | K940 A941 M942 | K940-E944 IonicContact NZ-OE1 3.66Å; K940-E944 PolarHBondContact NZ-OE1 2.7Å; A941-E944 PolarHBondContact O-N 3.31Å; M942-E944 PolarHBondContact O-N 3.41Å |
| 945 | L | 84.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -70.5 | -38.6 | 174.5 | -73 | 164.5 | 0 | 0 | 0 | 113.2 | W903 V907 L911 L925 I926 A941 M942 E947 L948 L949 | W903-L945 HydrophobicContact CZ2-CD1 4.28Å; V907-L945 HydrophobicContact CG1-CD1 3.9Å; V907-L945 HydrophobicContact CG1-CD2 4.38Å; V907-L945 HydrophobicContact CG1-CG 4.21Å; V907-L945 HydrophobicContact CG2-CD1 3.89Å; L911-L945 HydrophobicContact CD2-CD2 4.19Å; L925-L945 HydrophobicContact CB-CD1 3.66Å; L925-L945 HydrophobicContact CB-CD2 4.42Å; L925-L945 HydrophobicContact CD1-CD1 4.31Å; L925-L945 HydrophobicContact CD1-CD2 3.93Å; I926-L945 HydrophobicContact CD1-CB 3.98Å; I926-L945 HydrophobicContact CG1-CB 3.76Å; I926-L945 HydrophobicContact CG1-CD1 4.35Å; A941-L945 PolarHBondContact O-N 3.16Å; M942-L945 PolarHBondContact O-N 3.38Å; L945-E947 VanDerWaalsContact C-N 3.3Å; L945-E947 PolarHBondContact O-N 3.28Å; L945-L948 PolarHBondContact O-N 2.7Å; L945-L949 PolarHBondContact O-N 3.08Å; L945-L949 VanDerWaalsContact O-N 3.1Å |
| 946 | Q | 85.4 | Confident | 83.9 | Confident | 90 Ų | 90 | 69.1 Ų | 69.1 | 42% | 0.421 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.9 | -34.6 | -175.4 | -176.2 | 60.8 | 64.2 | 0 | 0 | 112.7 | I926 M942 A943 T950 | I926-Q946 HydrophobicContact CD1-CB 4.43Å; M942-Q946 WeakPolarHBondContact O-CB 3.24Å; M942-Q946 PolarHBondContact O-N 3.06Å; M942-Q946 VanDerWaalsContact O-N 3.08Å; A943-Q946 PolarHBondContact O-N 2.94Å; Q946-T950 PolarHBondContact NE2-OG1 3.28Å; Q946-T950 PolarHBondContact O-N 2.8Å; Q946-T950 PolarHBondContact O-OG1 2.98Å |
| 947 | E | 85.8 | Confident | 84.2 | Confident | 147 Ų | 147 | 66.1 Ų | 66.1 | 69% | 0.687 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -65.8 | -48.6 | 176.6 | -174.2 | 173.6 | -174.4 | 0 | 0 | 111.7 | L945 L949 T950 V951 | L945-E947 VanDerWaalsContact C-N 3.3Å; L945-E947 PolarHBondContact O-N 3.28Å; E947-L949 PolarHBondContact O-N 3.5Å; E947-T950 PolarHBondContact O-N 3.21Å; E947-V951 PolarHBondContact O-N 3.14Å |
| 948 | L | 85.7 | Confident | 84.7 | Confident | 45 Ų | 45 | 68 Ų | 68 | 24% | 0.236 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.6 | -36.5 | -176.9 | -171.9 | 60.9 | 0 | 0 | 0 | 112.6 | L911 V917 M922 L945 S952 P985 | L911-L948 HydrophobicContact CD2-CD2 4.29Å; V917-L948 HydrophobicContact CG1-CD2 3.9Å; M922-L948 HydrophobicContact SD-CB 3.94Å; M922-L948 HydrophobicContact SD-CD2 3.85Å; M922-L948 HydrophobicContact SD-CG 3.6Å; M922-L948 VanDerWaalsContact SD-CG 3.6Å; L945-L948 PolarHBondContact O-N 2.7Å; L948-S952 WeakPolarHBondContact O-CB 3.24Å; L948-S952 PolarHBondContact O-N 3.07Å; L948-S952 PolarHBondContact O-OG 2.93Å; L948-P985 HydrophobicContact CD1-CG 4.28Å |
| 949 | L | 86.7 | Confident | 84.9 | Confident | 10 Ų | 10 | 67.8 Ų | 67.8 | 5% | 0.052 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.4 | -51.9 | 172.5 | 176.9 | 61.9 | 0 | 0 | 0 | 110.9 | L919 M922 K923 I926 L945 E947 V951 S952 E953 | L919-L949 HydrophobicContact CD2-CD1 4.25Å; M922-L949 HydrophobicContact CB-CB 4.27Å; M922-L949 HydrophobicContact CB-CD1 4.11Å; M922-L949 HydrophobicContact CE-CD1 4.48Å; M922-L949 HydrophobicContact SD-CB 4.41Å; K923-L949 HydrophobicContact CG-CD1 3.83Å; K923-L949 HydrophobicContact CG-CD2 3.82Å; I926-L949 HydrophobicContact CD1-CB 4.31Å; I926-L949 HydrophobicContact CD1-CD2 3.73Å; L945-L949 PolarHBondContact O-N 3.08Å; L945-L949 VanDerWaalsContact O-N 3.1Å; E947-L949 PolarHBondContact O-N 3.5Å; L949-V951 VanDerWaalsContact C-N 3.3Å; L949-V951 PolarHBondContact O-N 3.18Å; L949-S952 PolarHBondContact O-N 3.44Å; L949-E953 HydrophobicContact CD1-CG 3.7Å; L949-E953 HydrophobicContact CG-CG 4.14Å; L949-E953 WeakPolarHBondContact O-CG 3.31Å; L949-E953 PolarHBondContact O-N 3.38Å |
| 950 | T | 85.3 | Confident | 85 | Confident | 80 Ų | 80 | 65.4 Ų | 65.4 | 49% | 0.491 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.1 | -38.5 | -173.8 | -56.1 | 0 | 0 | 0 | 0 | 112.8 | Q946 E947 | Q946-T950 PolarHBondContact NE2-OG1 3.28Å; Q946-T950 PolarHBondContact O-N 2.8Å; Q946-T950 PolarHBondContact O-OG1 2.98Å; E947-T950 PolarHBondContact O-N 3.21Å |
| 951 | V | 85.5 | Confident | 85.2 | Confident | 77 Ų | 77 | 63 Ų | 63 | 47% | 0.467 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -70.6 | -39.9 | 176.9 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | E947 L949 | E947-V951 PolarHBondContact O-N 3.14Å; L949-V951 VanDerWaalsContact C-N 3.3Å; L949-V951 PolarHBondContact O-N 3.18Å |
| 952 | S | 86.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -75.2 | -42.2 | -172 | -56.2 | 0 | 0 | 0 | 0 | 112.3 | L948 L949 R954 W955 E956 | L948-S952 WeakPolarHBondContact O-CB 3.24Å; L948-S952 PolarHBondContact O-N 3.07Å; L948-S952 PolarHBondContact O-OG 2.93Å; L949-S952 PolarHBondContact O-N 3.44Å; S952-R954 VanDerWaalsContact C-N 3.27Å; S952-R954 PolarHBondContact O-N 3.33Å; S952-W955 PolarHBondContact O-N 3.37Å; S952-E956 PolarHBondContact O-N 3.38Å |
| 953 | E | 85.5 | Confident | 85.3 | Confident | 67 Ų | 67 | 62.6 Ų | 62.6 | 31% | 0.313 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -56.6 | -41 | 178 | -71.7 | -170 | 108.3 | 0 | 0 | 112.5 | L919 K923 L949 W955 E956 E957 | L919-E953 HydrophobicContact CD1-CG 4.3Å; L919-E953 HydrophobicContact CD2-CG 4.08Å; K923-E953 WeakPolarHBondContact CE-OE1 3.19Å; K923-E953 IonicContact NZ-OE1 3.72Å; K923-E953 PolarHBondContact NZ-OE1 2.94Å; L949-E953 HydrophobicContact CD1-CG 3.7Å; L949-E953 HydrophobicContact CG-CG 4.14Å; L949-E953 WeakPolarHBondContact O-CG 3.31Å; L949-E953 PolarHBondContact O-N 3.38Å; E953-W955 PolarHBondContact O-N 2.66Å; E953-E956 PolarHBondContact O-N 3.05Å; E953-E957 WeakPolarHBondContact O-CB 3.35Å; E953-E957 PolarHBondContact O-N 2.93Å |
| 954 | R | 86.8 | Confident | 85.4 | Confident | 201 Ų | 201 | 65.4 Ų | 65.4 | 76% | 0.758 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -59 | -32.4 | -177 | -174.3 | 178.4 | 179.8 | -172.8 | 0.5 | 113.2 | S952 K958 | S952-R954 VanDerWaalsContact C-N 3.27Å; S952-R954 PolarHBondContact O-N 3.33Å; R954-K958 PolarHBondContact O-N 3.27Å |
| 955 | W | 85.5 | Confident | 85.3 | Confident | 60 Ų | 60 | 61.4 Ų | 61.4 | 23% | 0.227 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -88.5 | -37.6 | -179 | -77.8 | 102.1 | 0 | 0 | 0 | 113 | S952 E953 K958 A959 E980 A981 I984 L988 | S952-W955 PolarHBondContact O-N 3.37Å; E953-W955 PolarHBondContact O-N 2.66Å; W955-K958 HydrophobicContact CE3-CD 4.01Å; W955-K958 HydrophobicContact CH2-CD 4.49Å; W955-K958 HydrophobicContact CZ3-CD 3.75Å; W955-K958 PolarHBondContact O-N 2.9Å; W955-A959 PolarHBondContact O-N 2.88Å; W955-A959 VanDerWaalsContact O-N 3.1Å; W955-E980 HydrophobicContact CH2-CB 3.48Å; W955-E980 VanDerWaalsContact CH2-CB 3.48Å; W955-E980 HydrophobicContact CH2-CG 4.41Å; W955-E980 WeakPolarHBondContact CH2-OE2 3.38Å; W955-E980 HydrophobicContact CZ3-CB 3.64Å; W955-E980 WeakPolarHBondContact CZ3-OE2 3.42Å; W955-A981 HydrophobicContact CD2-CB 4.47Å; W955-A981 HydrophobicContact CE3-CB 3.86Å; W955-A981 HydrophobicContact CZ3-CB 4.32Å; W955-I984 HydrophobicContact CB-CD1 3.62Å; W955-I984 HydrophobicContact CD2-CD1 3.97Å; W955-I984 HydrophobicContact CG-CD1 3.32Å; W955-L988 HydrophobicContact CB-CD1 4.17Å |
| 956 | E | 86.6 | Confident | 85.1 | Confident | 17 Ų | 17 | 73 Ų | 73 | 8% | 0.079 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 174.2 | -170 | 67.2 | 176 | 0 | 0 | 111.1 | L919 S952 E953 K958 A959 K960 L988 P989 N990 | L919-E956 HydrophobicContact CD1-CB 3.68Å; L919-E956 HydrophobicContact CD1-CG 3.76Å; S952-E956 PolarHBondContact O-N 3.38Å; E953-E956 PolarHBondContact O-N 3.05Å; E956-K958 VanDerWaalsContact C-N 3.33Å; E956-K958 PolarHBondContact O-N 3.2Å; E956-A959 PolarHBondContact O-N 3.19Å; E956-K960 VanDerWaalsContact O-CB 3.26Å; E956-K960 WeakPolarHBondContact O-CB 3.49Å; E956-K960 PolarHBondContact O-N 3.07Å; E956-L988 HydrophobicContact CB-CD2 4.17Å; E956-L988 WeakPolarHBondContact OE2-CA 3.48Å; E956-L988 WeakPolarHBondContact OE2-CB 3.37Å; E956-P989 WeakPolarHBondContact OE1-CD 3.45Å; E956-N990 VanDerWaalsContact CD-N 3.34Å; E956-N990 HydrophobicContact CG-CB 4.42Å; E956-N990 WeakPolarHBondContact OE1-CB 3.48Å; E956-N990 PolarHBondContact OE1-N 2.97Å; E956-N990 PolarHBondContact OE1-ND2 3.07Å; E956-N990 PolarHBondContact OE2-N 2.54Å; E956-N990 VanDerWaalsContact OE2-N 3.15Å |
| 957 | E | 85.8 | Confident | 84.8 | Confident | 86 Ų | 86 | 74.3 Ų | 74.3 | 40% | 0.402 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63 | -39.7 | 176.2 | -169.4 | 58.4 | -141.8 | 0 | 0 | 111.6 | E953 A959 K960 V961 | E953-E957 WeakPolarHBondContact O-CB 3.35Å; E953-E957 PolarHBondContact O-N 2.93Å; E957-A959 VanDerWaalsContact C-N 3.33Å; E957-A959 PolarHBondContact O-N 3.49Å; E957-K960 PolarHBondContact O-N 2.89Å; E957-K960 IonicContact OE1-NZ 2.73Å; E957-K960 PolarHBondContact OE1-NZ 3.46Å; E957-K960 IonicContact OE2-NZ 3.65Å; E957-K960 PolarHBondContact OE2-NZ 2.99Å; E957-V961 HydrophobicContact CG-CG2 4.4Å; E957-V961 WeakPolarHBondContact O-CB 3.45Å; E957-V961 VanDerWaalsContact O-CG2 3.29Å; E957-V961 WeakPolarHBondContact O-CG2 3.22Å; E957-V961 PolarHBondContact O-N 3.29Å |
| 958 | K | 85.4 | Confident | 84.9 | Confident | 79 Ų | 79 | 72 Ų | 72 | 34% | 0.343 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 176.1 | -171.4 | 178.9 | -176.7 | 178.9 | 0 | 111.9 | R954 W955 E956 C962 I977 E980 | R954-K958 PolarHBondContact O-N 3.27Å; W955-K958 HydrophobicContact CE3-CD 4.01Å; W955-K958 HydrophobicContact CH2-CD 4.49Å; W955-K958 HydrophobicContact CZ3-CD 3.75Å; W955-K958 PolarHBondContact O-N 2.9Å; E956-K958 VanDerWaalsContact C-N 3.33Å; E956-K958 PolarHBondContact O-N 3.2Å; K958-C962 PolarHBondContact O-SG 3.24Å; K958-I977 HydrophobicContact CG-CG2 4.44Å; K958-E980 IonicContact NZ-OE1 3.78Å; K958-E980 IonicContact NZ-OE2 3.63Å; K958-E980 PolarHBondContact NZ-OE2 3.15Å |
| 959 | A | 85.7 | Confident | 84.8 | Confident | 1 Ų | 1 | 72.6 Ų | 72.6 | 1% | 0.008 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -72.5 | -41.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | W955 E956 E957 C962 L963 N990 V991 | W955-A959 PolarHBondContact O-N 2.88Å; W955-A959 VanDerWaalsContact O-N 3.1Å; E956-A959 PolarHBondContact O-N 3.19Å; E957-A959 VanDerWaalsContact C-N 3.33Å; E957-A959 PolarHBondContact O-N 3.49Å; A959-C962 PolarHBondContact O-N 2.63Å; A959-C962 VanDerWaalsContact O-N 3.14Å; A959-L963 PolarHBondContact O-N 3.47Å; A959-N990 HydrophobicContact CB-CB 3.72Å; A959-V991 HydrophobicContact CB-CB 4.48Å; A959-V991 HydrophobicContact CB-CG2 3.82Å |
| 960 | K | 85.5 | Confident | 84.9 | Confident | 60 Ų | 60 | 74.5 Ų | 74.5 | 26% | 0.261 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.4 | -48.8 | 175.8 | 168.1 | 169.3 | 159.2 | -90.9 | 0 | 112.3 | E956 E957 C962 L963 Q964 N990 | E956-K960 VanDerWaalsContact O-CB 3.26Å; E956-K960 WeakPolarHBondContact O-CB 3.49Å; E956-K960 PolarHBondContact O-N 3.07Å; E957-K960 PolarHBondContact O-N 2.89Å; E957-K960 IonicContact OE1-NZ 2.73Å; E957-K960 PolarHBondContact OE1-NZ 3.46Å; E957-K960 IonicContact OE2-NZ 3.65Å; E957-K960 PolarHBondContact OE2-NZ 2.99Å; K960-C962 PolarHBondContact O-N 3.26Å; K960-L963 PolarHBondContact O-N 3.01Å; K960-Q964 WeakPolarHBondContact O-CB 3.2Å; K960-Q964 VanDerWaalsContact O-CG 3.32Å; K960-Q964 WeakPolarHBondContact O-CG 3.43Å; K960-Q964 PolarHBondContact O-N 3.17Å; K960-N990 WeakPolarHBondContact CA-OD1 3.1Å; K960-N990 HydrophobicContact CB-CB 4.29Å |
| 961 | V | 86 | Confident | 85 | Confident | 77 Ų | 77 | 73.3 Ų | 73.3 | 47% | 0.467 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -54.6 | -39.9 | 175 | 165.9 | 0 | 0 | 0 | 0 | 111.4 | E957 Q964 A965 | E957-V961 HydrophobicContact CG-CG2 4.4Å; E957-V961 WeakPolarHBondContact O-CB 3.45Å; E957-V961 VanDerWaalsContact O-CG2 3.29Å; E957-V961 WeakPolarHBondContact O-CG2 3.22Å; E957-V961 PolarHBondContact O-N 3.29Å; V961-Q964 PolarHBondContact O-N 2.77Å; V961-A965 PolarHBondContact O-N 2.54Å |
| 962 | C | 85.2 | Confident | 85 | Confident | 13 Ų | 13 | 72.8 Ų | 72.8 | 9% | 0.088 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -75.3 | -30.4 | -177.8 | -63 | 0 | 0 | 0 | 0 | 113.6 | K958 A959 K960 L974 I977 L994 | K958-C962 PolarHBondContact O-SG 3.24Å; A959-C962 PolarHBondContact O-N 2.63Å; A959-C962 VanDerWaalsContact O-N 3.14Å; K960-C962 PolarHBondContact O-N 3.26Å; C962-L974 HydrophobicContact CB-CD2 3.87Å; C962-I977 HydrophobicContact CB-CD1 4.22Å; C962-I977 WeakPolarHBondContact SG-CD1 3.31Å; C962-L994 HydrophobicContact CB-CD1 4.29Å; C962-L994 HydrophobicContact CB-CD2 4.32Å |
| 963 | L | 83.5 | Confident | 85 | Confident | 36 Ų | 36 | 76.9 Ų | 76.9 | 19% | 0.188 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -73.1 | -32.3 | 170.2 | -75.7 | 166.4 | 0 | 0 | 0 | 112.7 | A959 K960 N990 L994 A997 P1034 | A959-L963 PolarHBondContact O-N 3.47Å; K960-L963 PolarHBondContact O-N 3.01Å; L963-N990 HydrophobicContact CD1-CB 4.08Å; L963-N990 WeakPolarHBondContact CD1-OD1 3.48Å; L963-L994 HydrophobicContact CD2-CB 4.39Å; L963-L994 HydrophobicContact CD2-CD1 3.91Å; L963-L994 HydrophobicContact CG-CB 4.36Å; L963-L994 HydrophobicContact CG-CD1 3.98Å; L963-A997 HydrophobicContact CD2-CB 4.48Å; L963-P1034 HydrophobicContact CD2-CB 4.41Å; L963-P1034 HydrophobicContact CD2-CG 3.88Å |
| 964 | Q | 83.9 | Confident | 85 | Confident | 125 Ų | 125 | 73.7 Ų | 73.7 | 58% | 0.584 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -88.2 | -8.3 | -178.6 | -66.8 | -178.3 | -6.6 | 0 | 0 | 113.6 | K960 V961 R966 | K960-Q964 WeakPolarHBondContact O-CB 3.2Å; K960-Q964 VanDerWaalsContact O-CG 3.32Å; K960-Q964 WeakPolarHBondContact O-CG 3.43Å; K960-Q964 PolarHBondContact O-N 3.17Å; V961-Q964 PolarHBondContact O-N 2.77Å; Q964-R966 PolarHBondContact O-N 2.91Å |
| 965 | A | 80.4 | Confident | 85 | Confident | 18 Ų | 18 | 67.2 Ų | 67.2 | 15% | 0.149 | 34% | 0.336 | C | S | . | . | trans | -54 | 128.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V961 P967 R968 H969 | V961-A965 PolarHBondContact O-N 2.54Å; A965-P967 CarbonylContact C-O 3.52Å; A965-P967 CarbonylContact O-C 3.58Å; A965-R968 WeakPolarHBondContact O-CA 3.34Å; A965-R968 PolarHBondContact O-N 3.37Å; A965-H969 WeakPolarHBondContact CB-NE2 3.26Å | ||
| 966 | R | 81.4 | Confident | 85 | Confident | 243 Ų | 243 | 69.5 Ų | 69.5 | 92% | 0.917 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -130.1 | 111.1 | 170.8 | -63.2 | -173.3 | -174.9 | -158.6 | 2.8 | 108.2 | Q964 | Q964-R966 PolarHBondContact O-N 2.91Š|
| 967 | P | 79.6 | Confident | 84.8 | Confident | 119 Ų | 119 | 70 Ų | 70 | 77% | 0.773 | 36% | 0.355 | S | S | * | . | S | Bend | cis | -64.2 | 149.4 | 1.1 | 28.9 | -36.4 | 0 | 0 | 0 | 113.3 | A965 | A965-P967 CarbonylContact C-O 3.52Å; A965-P967 CarbonylContact O-C 3.58Å |
| 968 | R | 86.1 | Confident | 84.8 | Confident | 97 Ų | 97 | 67 Ų | 67 | 37% | 0.366 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 141.6 | 175.2 | -65.7 | 179.9 | 178 | 169.5 | -5.6 | 110.2 | A965 R1031 I1033 V1035 R1036 | A965-R968 WeakPolarHBondContact O-CA 3.34Å; A965-R968 PolarHBondContact O-N 3.37Å; R968-R1031 PolarHBondContact NH2-O 2.88Å; R968-I1033 PolarHBondContact NH1-O 3.01Å; R968-I1033 PolarHBondContact NH2-O 2.81Å; R968-V1035 WeakPolarHBondContact CD-O 3.37Å; R968-V1035 PolarHBondContact NH1-O 3.02Å; R968-R1036 HydrophobicContact CB-CB 4.37Å |
| 969 | H | 85.4 | Confident | 84.8 | Confident | 58 Ų | 58 | 67.7 Ų | 67.7 | 27% | 0.269 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 157.1 | 178 | -66.3 | -52.2 | 0 | 0 | 0 | 112.9 | A965 N973 L974 R1036 | A965-H969 WeakPolarHBondContact CB-NE2 3.26Å; H969-N973 HydrophobicContact CB-CB 4.39Å; H969-L974 HydrophobicContact CB-CD1 4.36Å; H969-L974 HydrophobicContact CB-CD2 3.55Å; H969-L974 HydrophobicContact CB-CG 3.9Å; H969-R1036 WeakPolarHBondContact O-CB 3.3Å; H969-R1036 PolarHBondContact O-N 3.18Å; H969-R1036 VanDerWaalsContact O-N 3.15Å |
| 970 | S | 88.2 | Confident | 84.6 | Confident | 50 Ų | 50 | 72.5 Ų | 72.5 | 35% | 0.35 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 153.6 | 165.4 | 53 | 0 | 0 | 0 | 0 | 110.7 | A972 N973 | S970-A972 VanDerWaalsContact C-N 3.32Å; S970-A972 PolarHBondContact O-N 2.87Å; S970-N973 PolarHBondContact O-N 3.23Å; S970-N973 VanDerWaalsContact OG-CG 3.24Å; S970-N973 PolarHBondContact OG-OD1 3.35Å; S970-N973 VanDerWaalsContact OG-OD1 3.09Å |
| 971 | M | 87.3 | Confident | 84.4 | Confident | 56 Ų | 56 | 70.1 Ų | 70.1 | 28% | 0.276 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -54.2 | -47 | 178.6 | -68.8 | 162.1 | 49.5 | 0 | 0 | 112.4 | N973 L974 E975 L998 A1001 R1002 V1035 | M971-N973 VanDerWaalsContact C-N 3.25Å; M971-N973 PolarHBondContact O-N 3.11Å; M971-L974 PolarHBondContact O-N 3.08Å; M971-L974 VanDerWaalsContact O-N 3.11Å; M971-E975 PolarHBondContact O-N 2.77Å; M971-L998 HydrophobicContact CB-CD2 3.77Å; M971-L998 HydrophobicContact CG-CD2 4.03Å; M971-L998 WeakPolarHBondContact O-CD2 3.48Å; M971-A1001 HydrophobicContact CG-CB 4.43Å; M971-A1001 HydrophobicContact SD-CB 4.3Å; M971-R1002 HydrophobicContact CE-CG 3.45Å; M971-R1002 VanDerWaalsContact CE-CG 3.45Å; M971-V1035 HydrophobicContact CG-CG1 3.62Å |
| 972 | A | 85.5 | Confident | 84 | Confident | 65 Ų | 65 | 73 Ų | 73 | 54% | 0.537 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58 | -31.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S970 N976 | S970-A972 VanDerWaalsContact C-N 3.32Å; S970-A972 PolarHBondContact O-N 2.87Å; A972-N976 PolarHBondContact O-ND2 2.9Å |
| 973 | N | 85.2 | Confident | 83.7 | Confident | 87 Ų | 87 | 79.6 Ų | 79.6 | 47% | 0.465 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -72.3 | -39.2 | 178.7 | -72.4 | 22.2 | 0 | 0 | 0 | 111.6 | H969 S970 M971 | H969-N973 HydrophobicContact CB-CB 4.39Å; S970-N973 PolarHBondContact O-N 3.23Å; S970-N973 VanDerWaalsContact OG-CG 3.24Å; S970-N973 PolarHBondContact OG-OD1 3.35Å; S970-N973 VanDerWaalsContact OG-OD1 3.09Å; M971-N973 VanDerWaalsContact C-N 3.25Å; M971-N973 PolarHBondContact O-N 3.11Å |
| 974 | L | 86.5 | Confident | 83.4 | Confident | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -73.1 | -33.5 | -176.3 | -57.3 | -178.7 | 0 | 0 | 0 | 112.2 | C962 H969 M971 N976 I977 V978 L994 L998 V1035 | C962-L974 HydrophobicContact CB-CD2 3.87Å; H969-L974 HydrophobicContact CB-CD1 4.36Å; H969-L974 HydrophobicContact CB-CD2 3.55Å; H969-L974 HydrophobicContact CB-CG 3.9Å; M971-L974 PolarHBondContact O-N 3.08Å; M971-L974 VanDerWaalsContact O-N 3.11Å; L974-N976 PolarHBondContact O-N 3.41Å; L974-I977 HydrophobicContact CD2-CD1 4.39Å; L974-I977 PolarHBondContact O-N 3.34Å; L974-V978 PolarHBondContact O-N 3.37Å; L974-L994 HydrophobicContact CB-CD1 4.21Å; L974-L994 HydrophobicContact CB-CG 4.41Å; L974-L994 HydrophobicContact CD1-CD1 3.89Å; L974-L994 HydrophobicContact CD2-CD1 3.84Å; L974-L994 HydrophobicContact CG-CD1 4.17Å; L974-L998 HydrophobicContact CB-CD1 3.93Å; L974-L998 HydrophobicContact CB-CD2 4.1Å; L974-L998 HydrophobicContact CB-CG 4.16Å; L974-V1035 HydrophobicContact CD1-CG2 4.13Å |
| 975 | E | 86.9 | Confident | 83.2 | Confident | 64 Ų | 64 | 77.5 Ų | 77.5 | 30% | 0.299 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.2 | -29.7 | 178.4 | -72.5 | 176 | -149.8 | 0 | 0 | 112.8 | M971 N979 L998 R1002 | M971-E975 PolarHBondContact O-N 2.77Å; E975-N979 PolarHBondContact O-ND2 3.2Å; E975-L998 HydrophobicContact CG-CD1 3.62Å; E975-L998 HydrophobicContact CG-CD2 3.89Å; E975-L998 HydrophobicContact CG-CG 4.37Å; E975-R1002 IonicContact OE1-CZ 2.68Å; E975-R1002 IonicContact OE1-NE 2.83Å; E975-R1002 IonicContact OE1-NH2 2.77Å; E975-R1002 PolarHBondContact OE1-NH2 2.89Å; E975-R1002 IonicContact OE2-NH2 3.34Å; E975-R1002 PolarHBondContact OE2-NH2 3.05Å |
| 976 | N | 85.9 | Confident | 83.2 | Confident | 108 Ų | 108 | 77.4 Ų | 77.4 | 58% | 0.578 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -69.7 | -44.4 | 176 | -68.4 | -31.5 | 0 | 0 | 0 | 112.3 | A972 L974 V978 N979 E980 | A972-N976 PolarHBondContact O-ND2 2.9Å; L974-N976 PolarHBondContact O-N 3.41Å; N976-V978 VanDerWaalsContact C-N 3.35Å; N976-V978 PolarHBondContact O-N 2.85Å; N976-N979 WeakPolarHBondContact O-CB 3.41Å; N976-N979 PolarHBondContact O-N 3.23Å; N976-N979 VanDerWaalsContact O-N 3.08Å; N976-E980 PolarHBondContact O-N 3.38Å |
| 977 | I | 82.5 | Confident | 83.2 | Confident | 27 Ų | 27 | 70.4 Ų | 70.4 | 14% | 0.138 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.2 | -39.9 | -176.2 | -65.4 | 146.4 | 0 | 0 | 0 | 111.5 | K958 C962 L974 N979 E980 L994 | K958-I977 HydrophobicContact CG-CG2 4.44Å; C962-I977 HydrophobicContact CB-CD1 4.22Å; C962-I977 WeakPolarHBondContact SG-CD1 3.31Å; L974-I977 HydrophobicContact CD2-CD1 4.39Å; L974-I977 PolarHBondContact O-N 3.34Å; I977-N979 PolarHBondContact O-N 3.26Å; I977-E980 PolarHBondContact O-N 3.14Å; I977-L994 HydrophobicContact CB-CD2 4.22Å; I977-L994 HydrophobicContact CG2-CD2 3.95Å |
| 978 | V | 85.7 | Confident | 83.4 | Confident | 24 Ų | 24 | 65.3 Ų | 65.3 | 15% | 0.145 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66 | -19.8 | 177.3 | 177.8 | 0 | 0 | 0 | 0 | 112.4 | L974 N976 L994 K995 | L974-V978 PolarHBondContact O-N 3.37Å; N976-V978 VanDerWaalsContact C-N 3.35Å; N976-V978 PolarHBondContact O-N 2.85Å; V978-L994 HydrophobicContact CG2-CB 4.24Å; V978-L994 HydrophobicContact CG2-CD2 3.86Å; V978-L994 HydrophobicContact CG2-CG 3.98Å; V978-K995 HydrophobicContact CG1-CB 4.16Å; V978-K995 HydrophobicContact CG1-CG 4.28Å |
| 979 | N | 83.8 | Confident | 83.3 | Confident | 93 Ų | 93 | 63.4 Ų | 63.4 | 50% | 0.497 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -83.7 | -32.6 | 177.6 | -82.2 | -60 | 0 | 0 | 0 | 113.7 | E975 N976 I977 K982 | E975-N979 PolarHBondContact O-ND2 3.2Å; N976-N979 WeakPolarHBondContact O-CB 3.41Å; N976-N979 PolarHBondContact O-N 3.23Å; N976-N979 VanDerWaalsContact O-N 3.08Å; I977-N979 PolarHBondContact O-N 3.26Å; N979-K982 WeakPolarHBondContact O-CD 3.43Å; N979-K982 PolarHBondContact OD1-NZ 3.06Å |
| 980 | E | 81.2 | Confident | 83.4 | Confident | 102 Ų | 102 | 62.5 Ų | 62.5 | 48% | 0.477 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -75.4 | -36.1 | -177.9 | -60.1 | 174.1 | 155.6 | 0 | 0 | 112.9 | W955 K958 N976 I977 K982 | W955-E980 HydrophobicContact CH2-CB 3.48Å; W955-E980 VanDerWaalsContact CH2-CB 3.48Å; W955-E980 HydrophobicContact CH2-CG 4.41Å; W955-E980 WeakPolarHBondContact CH2-OE2 3.38Å; W955-E980 HydrophobicContact CZ3-CB 3.64Å; W955-E980 WeakPolarHBondContact CZ3-OE2 3.42Å; K958-E980 IonicContact NZ-OE1 3.78Å; K958-E980 IonicContact NZ-OE2 3.63Å; K958-E980 PolarHBondContact NZ-OE2 3.15Å; N976-E980 PolarHBondContact O-N 3.38Å; I977-E980 PolarHBondContact O-N 3.14Å; E980-K982 PolarHBondContact O-N 2.85Å |
| 981 | A | 82.1 | Confident | 83.3 | Confident | 10 Ų | 10 | 61.1 Ų | 61.1 | 8% | 0.083 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -74.2 | 8.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | W955 N983 V991 | W955-A981 HydrophobicContact CD2-CB 4.47Å; W955-A981 HydrophobicContact CE3-CB 3.86Å; W955-A981 HydrophobicContact CZ3-CB 4.32Å; A981-N983 VanDerWaalsContact C-N 3.34Å; A981-N983 PolarHBondContact O-N 3.4Å; A981-V991 HydrophobicContact CB-CG1 3.83Å; A981-V991 HydrophobicContact CB-CG2 4.04Å |
| 982 | K | 78.5 | Confident | 83.2 | Confident | 138 Ų | 138 | 62.8 Ų | 62.8 | 60% | 0.6 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -75.5 | -9.8 | -167.6 | -74 | 175.8 | 174.5 | 168.1 | 0 | 116.2 | N979 E980 | N979-K982 WeakPolarHBondContact O-CD 3.43Å; N979-K982 PolarHBondContact OD1-NZ 3.06Å; E980-K982 PolarHBondContact O-N 2.85Å |
| 983 | N | 77.6 | Confident | 83.2 | Confident | 151 Ų | 151 | 62.5 Ų | 62.5 | 81% | 0.807 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -112.3 | 17.3 | -164.6 | -64.1 | -11.5 | 0 | 0 | 0 | 114.6 | A981 | A981-N983 VanDerWaalsContact C-N 3.34Å; A981-N983 PolarHBondContact O-N 3.4Å |
| 984 | I | 78.5 | Confident | 83.3 | Confident | 34 Ų | 34 | 58.4 Ų | 58.4 | 17% | 0.174 | 31% | 0.312 | C | S | . | . | trans | -104.3 | 128.2 | -169.9 | -56.5 | 157.1 | 0 | 0 | 0 | 109.8 | W955 A986 L988 | W955-I984 HydrophobicContact CB-CD1 3.62Å; W955-I984 HydrophobicContact CD2-CD1 3.97Å; W955-I984 HydrophobicContact CG-CD1 3.32Å; I984-A986 HydrophobicContact CG2-CB 4.19Å; I984-A986 PolarHBondContact O-N 3.36Å; I984-L988 HydrophobicContact CB-CD1 4.17Å; I984-L988 HydrophobicContact CD1-CD1 3.6Å; I984-L988 HydrophobicContact CG2-CD1 4.2Å | ||
| 985 | P | 78.4 | Confident | 83.3 | Confident | 83 Ų | 83 | 65 Ų | 65 | 54% | 0.539 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -83.4 | 49.5 | -178.2 | 36.1 | -37.1 | 0 | 0 | 0 | 112.5 | L948 | L948-P985 HydrophobicContact CD1-CG 4.28Š|
| 986 | A | 79.9 | Confident | 83.3 | Confident | 16 Ų | 16 | 67.2 Ų | 67.2 | 13% | 0.132 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -148 | 156.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | V917 M922 I984 | V917-A986 HydrophobicContact CG1-CB 4.09Å; V917-A986 WeakPolarHBondContact O-CA 3.41Å; M922-A986 HydrophobicContact CE-CB 4.48Å; I984-A986 HydrophobicContact CG2-CB 4.19Å; I984-A986 PolarHBondContact O-N 3.36Å |
| 987 | F | 82.8 | Confident | 83.5 | Confident | 96 Ų | 96 | 62.2 Ų | 62.2 | 42% | 0.421 | 33% | 0.325 | S | S | . | . | B | Isolated β-bridge | trans | -82 | 121.5 | 177.8 | -177 | -107.4 | 0 | 0 | 0 | 111.3 | V917 T918 P989 L992 | V917-F987 PolarHBondContact O-N 3.47Å; T918-F987 HydrophobicContact CG2-CB 4.16Å; T918-F987 HydrophobicContact CG2-CD1 3.95Å; T918-F987 HydrophobicContact CG2-CG 4.47Å; F987-P989 HydrophobicContact CD1-CG 3.99Å; F987-P989 HydrophobicContact CE1-CG 3.72Å; F987-P989 WeakPolarHBondContact O-CD 3.11Å; F987-L992 HydrophobicContact CE2-CD1 3.93Å; F987-L992 HydrophobicContact CZ-CD1 4.34Å |
| 988 | L | 84.1 | Confident | 83.8 | Confident | 13 Ų | 13 | 61.6 Ų | 61.6 | 7% | 0.068 | 32% | 0.322 | C | S | . | . | trans | -123.9 | 86 | -171.7 | -60.5 | 178.3 | 0 | 0 | 0 | 112.2 | W955 E956 I984 N990 V991 L992 | W955-L988 HydrophobicContact CB-CD1 4.17Å; E956-L988 HydrophobicContact CB-CD2 4.17Å; E956-L988 WeakPolarHBondContact OE2-CA 3.48Å; E956-L988 WeakPolarHBondContact OE2-CB 3.37Å; I984-L988 HydrophobicContact CB-CD1 4.17Å; I984-L988 HydrophobicContact CD1-CD1 3.6Å; I984-L988 HydrophobicContact CG2-CD1 4.2Å; L988-N990 PolarHBondContact O-N 3.03Å; L988-V991 HydrophobicContact CB-CB 4.21Å; L988-V991 HydrophobicContact CB-CG2 3.84Å; L988-V991 HydrophobicContact CD1-CG2 4.23Å; L988-V991 PolarHBondContact O-N 2.77Å; L988-L992 PolarHBondContact O-N 2.74Å | ||
| 989 | P | 83.8 | Confident | 83.9 | Confident | 56 Ų | 56 | 65 Ų | 65 | 36% | 0.364 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -54.7 | -40.7 | -175.4 | -28.3 | 32.7 | 0 | 0 | 0 | 116.8 | E956 F987 V991 L992 S993 | E956-P989 WeakPolarHBondContact OE1-CD 3.45Å; F987-P989 HydrophobicContact CD1-CG 3.99Å; F987-P989 HydrophobicContact CE1-CG 3.72Å; F987-P989 WeakPolarHBondContact O-CD 3.11Å; P989-V991 VanDerWaalsContact C-N 3.34Å; P989-V991 PolarHBondContact O-N 2.93Å; P989-L992 PolarHBondContact O-N 3.45Å; P989-S993 WeakPolarHBondContact O-CB 3.27Å; P989-S993 PolarHBondContact O-N 3.49Å; P989-S993 PolarHBondContact O-OG 3.05Å |
| 990 | N | 86.7 | Confident | 84.2 | Confident | 39 Ų | 39 | 65.4 Ų | 65.4 | 21% | 0.209 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.8 | -32.5 | -176.9 | -79.2 | -91.3 | 0 | 0 | 0 | 111.2 | E956 A959 K960 L963 L988 L992 S993 L994 | E956-N990 VanDerWaalsContact CD-N 3.34Å; E956-N990 HydrophobicContact CG-CB 4.42Å; E956-N990 WeakPolarHBondContact OE1-CB 3.48Å; E956-N990 PolarHBondContact OE1-N 2.97Å; E956-N990 PolarHBondContact OE1-ND2 3.07Å; E956-N990 PolarHBondContact OE2-N 2.54Å; E956-N990 VanDerWaalsContact OE2-N 3.15Å; A959-N990 HydrophobicContact CB-CB 3.72Å; K960-N990 WeakPolarHBondContact CA-OD1 3.1Å; K960-N990 HydrophobicContact CB-CB 4.29Å; L963-N990 HydrophobicContact CD1-CB 4.08Å; L963-N990 WeakPolarHBondContact CD1-OD1 3.48Å; L988-N990 PolarHBondContact O-N 3.03Å; N990-L992 VanDerWaalsContact C-N 3.34Å; N990-L992 PolarHBondContact O-N 2.99Å; N990-S993 PolarHBondContact O-N 2.71Å; N990-L994 WeakPolarHBondContact O-CB 3.49Å; N990-L994 PolarHBondContact O-N 3.24Å |
| 991 | V | 85.6 | Confident | 84.6 | Confident | 22 Ų | 22 | 60.5 Ų | 60.5 | 13% | 0.133 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 174.6 | -178.7 | 0 | 0 | 0 | 0 | 111 | A959 A981 L988 P989 K995 | A959-V991 HydrophobicContact CB-CB 4.48Å; A959-V991 HydrophobicContact CB-CG2 3.82Å; A981-V991 HydrophobicContact CB-CG1 3.83Å; A981-V991 HydrophobicContact CB-CG2 4.04Å; L988-V991 HydrophobicContact CB-CB 4.21Å; L988-V991 HydrophobicContact CB-CG2 3.84Å; L988-V991 HydrophobicContact CD1-CG2 4.23Å; L988-V991 PolarHBondContact O-N 2.77Å; P989-V991 VanDerWaalsContact C-N 3.34Å; P989-V991 PolarHBondContact O-N 2.93Å; V991-K995 PolarHBondContact O-N 3.43Å |
| 992 | L | 85.5 | Confident | 85 | Confident | 90 Ų | 90 | 65.7 Ų | 65.7 | 47% | 0.471 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.4 | -45.9 | 175.8 | -63.1 | 175.7 | 0 | 0 | 0 | 111.5 | F987 L988 P989 N990 L994 K995 E996 | F987-L992 HydrophobicContact CE2-CD1 3.93Å; F987-L992 HydrophobicContact CZ-CD1 4.34Å; L988-L992 PolarHBondContact O-N 2.74Å; P989-L992 PolarHBondContact O-N 3.45Å; N990-L992 VanDerWaalsContact C-N 3.34Å; N990-L992 PolarHBondContact O-N 2.99Å; L992-L994 VanDerWaalsContact C-N 3.29Å; L992-L994 PolarHBondContact O-N 3.24Å; L992-K995 WeakPolarHBondContact O-CB 3.41Å; L992-K995 PolarHBondContact O-N 2.91Å; L992-K995 VanDerWaalsContact O-N 3.12Å; L992-E996 PolarHBondContact O-N 3.3Å |
| 993 | S | 86.5 | Confident | 85.5 | Confident | 59 Ų | 59 | 63.5 Ų | 63.5 | 41% | 0.413 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.5 | -37.1 | 179.6 | -59.8 | 0 | 0 | 0 | 0 | 112.5 | P989 N990 K995 E996 A997 | P989-S993 WeakPolarHBondContact O-CB 3.27Å; P989-S993 PolarHBondContact O-N 3.49Å; P989-S993 PolarHBondContact O-OG 3.05Å; N990-S993 PolarHBondContact O-N 2.71Å; S993-K995 VanDerWaalsContact C-N 3.34Å; S993-K995 PolarHBondContact O-N 2.9Å; S993-E996 PolarHBondContact O-N 3.24Å; S993-A997 PolarHBondContact O-N 3.15Å |
| 994 | L | 87.5 | Confident | 86.2 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.4 | -35.3 | 176.7 | -170.1 | 65.1 | 0 | 0 | 0 | 112.7 | C962 L963 L974 I977 V978 N990 L992 | C962-L994 HydrophobicContact CB-CD1 4.29Å; C962-L994 HydrophobicContact CB-CD2 4.32Å; L963-L994 HydrophobicContact CD2-CB 4.39Å; L963-L994 HydrophobicContact CD2-CD1 3.91Å; L963-L994 HydrophobicContact CG-CB 4.36Å; L963-L994 HydrophobicContact CG-CD1 3.98Å; L974-L994 HydrophobicContact CB-CD1 4.21Å; L974-L994 HydrophobicContact CB-CG 4.41Å; L974-L994 HydrophobicContact CD1-CD1 3.89Å; L974-L994 HydrophobicContact CD2-CD1 3.84Å; L974-L994 HydrophobicContact CG-CD1 4.17Å; I977-L994 HydrophobicContact CB-CD2 4.22Å; I977-L994 HydrophobicContact CG2-CD2 3.95Å; V978-L994 HydrophobicContact CG2-CB 4.24Å; V978-L994 HydrophobicContact CG2-CD2 3.86Å; V978-L994 HydrophobicContact CG2-CG 3.98Å; N990-L994 WeakPolarHBondContact O-CB 3.49Å; N990-L994 PolarHBondContact O-N 3.24Å; L992-L994 VanDerWaalsContact C-N 3.29Å; L992-L994 PolarHBondContact O-N 3.24Å |
| 995 | K | 86.5 | Confident | 86.8 | Confident | 139 Ų | 139 | 57.4 Ų | 57.4 | 60% | 0.604 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -67.7 | -39.1 | 176.4 | -174 | -173.9 | 174.4 | -168.9 | 0 | 112.1 | V978 V991 L992 S993 | V978-K995 HydrophobicContact CG1-CB 4.16Å; V978-K995 HydrophobicContact CG1-CG 4.28Å; V991-K995 PolarHBondContact O-N 3.43Å; L992-K995 WeakPolarHBondContact O-CB 3.41Å; L992-K995 PolarHBondContact O-N 2.91Å; L992-K995 VanDerWaalsContact O-N 3.12Å; S993-K995 VanDerWaalsContact C-N 3.34Å; S993-K995 PolarHBondContact O-N 2.9Å |
| 996 | E | 87.2 | Confident | 87.2 | Confident | 110 Ų | 110 | 56 Ų | 56 | 51% | 0.514 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.8 | -39.6 | 176.1 | -73.6 | -166.3 | -159.8 | 0 | 0 | 113.3 | L992 S993 L998 Q999 K1000 | L992-E996 PolarHBondContact O-N 3.3Å; S993-E996 PolarHBondContact O-N 3.24Å; E996-L998 VanDerWaalsContact C-N 3.26Å; E996-L998 PolarHBondContact O-N 3.38Å; E996-Q999 PolarHBondContact O-N 3.46Å; E996-K1000 PolarHBondContact O-N 3.5Å; E996-K1000 IonicContact OE2-NZ 2.82Å; E996-K1000 PolarHBondContact OE2-NZ 3.13Å |
| 997 | A | 88.3 | Confident | 87.6 | Confident | 4 Ų | 4 | 60.6 Ų | 60.6 | 3% | 0.033 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.9 | -40.9 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | L963 S993 K1000 A1001 P1034 V1035 | L963-A997 HydrophobicContact CD2-CB 4.48Å; S993-A997 PolarHBondContact O-N 3.15Å; A997-K1000 PolarHBondContact O-N 3.5Å; A997-A1001 PolarHBondContact O-N 2.78Å; A997-A1001 VanDerWaalsContact O-N 3.12Å; A997-P1034 HydrophobicContact CB-CG 3.57Å; A997-V1035 HydrophobicContact CB-CG2 3.98Å |
| 998 | L | 88.8 | Confident | 87.8 | Confident | 13 Ų | 13 | 56.2 Ų | 56.2 | 7% | 0.068 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.4 | -40.5 | 177.2 | -81.6 | 164 | 0 | 0 | 0 | 113.5 | M971 L974 E975 E996 R1002 | M971-L998 HydrophobicContact CB-CD2 3.77Å; M971-L998 HydrophobicContact CG-CD2 4.03Å; M971-L998 WeakPolarHBondContact O-CD2 3.48Å; L974-L998 HydrophobicContact CB-CD1 3.93Å; L974-L998 HydrophobicContact CB-CD2 4.1Å; L974-L998 HydrophobicContact CB-CG 4.16Å; E975-L998 HydrophobicContact CG-CD1 3.62Å; E975-L998 HydrophobicContact CG-CD2 3.89Å; E975-L998 HydrophobicContact CG-CG 4.37Å; E996-L998 VanDerWaalsContact C-N 3.26Å; E996-L998 PolarHBondContact O-N 3.38Å; L998-R1002 WeakPolarHBondContact O-CG 3.38Å; L998-R1002 PolarHBondContact O-N 2.87Å |
| 999 | Q | 89 | Confident | 87.9 | Confident | 95 Ų | 95 | 61.4 Ų | 61.4 | 44% | 0.444 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.9 | -47.6 | 178.4 | -179 | 58.9 | 25.7 | 0 | 0 | 111 | E996 A1001 R1002 E1003 | E996-Q999 PolarHBondContact O-N 3.46Å; Q999-A1001 VanDerWaalsContact C-N 3.26Å; Q999-A1001 PolarHBondContact O-N 3.13Å; Q999-R1002 PolarHBondContact O-N 3.18Å; Q999-R1002 VanDerWaalsContact O-N 3.15Å; Q999-E1003 WeakPolarHBondContact CG-OE1 3.39Å; Q999-E1003 PolarHBondContact NE2-OE1 3.01Å; Q999-E1003 PolarHBondContact O-N 2.93Å |
| 1000 | K | 90.3 | Very high | 87.9 | Confident | 102 Ų | 102 | 62 Ų | 62 | 44% | 0.443 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.4 | -35.7 | -179.9 | -66.6 | 165.6 | -173.7 | 168 | 0 | 111.8 | E996 A997 W1004 I1033 | E996-K1000 PolarHBondContact O-N 3.5Å; E996-K1000 IonicContact OE2-NZ 2.82Å; E996-K1000 PolarHBondContact OE2-NZ 3.13Å; A997-K1000 PolarHBondContact O-N 3.5Å; K1000-W1004 PolarHBondContact O-N 2.86Å; K1000-I1033 HydrophobicContact CB-CD1 4.23Å; K1000-I1033 HydrophobicContact CB-CG1 4.08Å; K1000-I1033 HydrophobicContact CB-CG2 4.43Å; K1000-I1033 WeakPolarHBondContact O-CD1 3.3Å |
| 1001 | A | 90.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | M971 A997 Q999 T1005 I1033 V1035 L1037 | M971-A1001 HydrophobicContact CG-CB 4.43Å; M971-A1001 HydrophobicContact SD-CB 4.3Å; A997-A1001 PolarHBondContact O-N 2.78Å; A997-A1001 VanDerWaalsContact O-N 3.12Å; Q999-A1001 VanDerWaalsContact C-N 3.26Å; Q999-A1001 PolarHBondContact O-N 3.13Å; A1001-T1005 PolarHBondContact O-N 3.49Å; A1001-T1005 PolarHBondContact O-OG1 2.95Å; A1001-T1005 VanDerWaalsContact O-OG1 3.06Å; A1001-I1033 HydrophobicContact CB-CG2 3.88Å; A1001-V1035 HydrophobicContact CB-CB 3.91Å; A1001-V1035 HydrophobicContact CB-CG1 4.04Å; A1001-V1035 HydrophobicContact CB-CG2 4.02Å; A1001-L1037 HydrophobicContact CB-CD2 3.99Å |
| 1002 | R | 89.7 | Confident | 87.4 | Confident | 119 Ų | 119 | 66.5 Ų | 66.5 | 45% | 0.449 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.3 | -46.1 | 179.3 | -68.7 | 168.2 | 177.8 | -160.8 | -3.4 | 111.5 | M971 E975 L998 Q999 W1004 | M971-R1002 HydrophobicContact CE-CG 3.45Å; M971-R1002 VanDerWaalsContact CE-CG 3.45Å; E975-R1002 IonicContact OE1-CZ 2.68Å; E975-R1002 IonicContact OE1-NE 2.83Å; E975-R1002 IonicContact OE1-NH2 2.77Å; E975-R1002 PolarHBondContact OE1-NH2 2.89Å; E975-R1002 IonicContact OE2-NH2 3.34Å; E975-R1002 PolarHBondContact OE2-NH2 3.05Å; L998-R1002 WeakPolarHBondContact O-CG 3.38Å; L998-R1002 PolarHBondContact O-N 2.87Å; Q999-R1002 PolarHBondContact O-N 3.18Å; Q999-R1002 VanDerWaalsContact O-N 3.15Å; R1002-W1004 VanDerWaalsContact C-N 3.34Å; R1002-W1004 PolarHBondContact O-N 3.4Å |
| 1003 | E | 89 | Confident | 87 | Confident | 91 Ų | 91 | 66.9 Ų | 66.9 | 43% | 0.425 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -70.8 | -25.2 | -177.5 | -67.6 | 175.5 | -152.2 | 0 | 0 | 114.5 | Q999 K1007 | Q999-E1003 WeakPolarHBondContact CG-OE1 3.39Å; Q999-E1003 PolarHBondContact NE2-OE1 3.01Å; Q999-E1003 PolarHBondContact O-N 2.93Å; E1003-K1007 VanDerWaalsContact O-CD 3.29Å; E1003-K1007 WeakPolarHBondContact O-CD 3.27Å; E1003-K1007 WeakPolarHBondContact O-CE 3.16Å; E1003-K1007 WeakPolarHBondContact O-CG 3.32Å |
| 1004 | W | 93 | Very high | 86.3 | Confident | 9 Ų | 9 | 66.3 Ų | 66.3 | 3% | 0.034 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -75.2 | -47 | 176.4 | -178.5 | 88.3 | 0 | 0 | 0 | 111.5 | K1000 R1002 A1006 K1007 V1008 L1026 I1033 L1037 A1039 L1040 | K1000-W1004 PolarHBondContact O-N 2.86Å; R1002-W1004 VanDerWaalsContact C-N 3.34Å; R1002-W1004 PolarHBondContact O-N 3.4Å; W1004-A1006 PolarHBondContact O-N 3.3Å; W1004-K1007 PolarHBondContact O-N 3.26Å; W1004-K1007 VanDerWaalsContact O-N 3.09Å; W1004-V1008 HydrophobicContact CD2-CG2 4.13Å; W1004-V1008 HydrophobicContact CE3-CG2 4.1Å; W1004-V1008 HydrophobicContact CH2-CG2 3.55Å; W1004-V1008 HydrophobicContact CZ2-CG2 3.57Å; W1004-V1008 HydrophobicContact CZ3-CG2 3.82Å; W1004-V1008 PolarHBondContact O-N 3.32Å; W1004-L1026 PolarHBondContact NE1-O 2.93Å; W1004-I1033 HydrophobicContact CB-CD1 3.77Å; W1004-I1033 HydrophobicContact CG-CD1 4.16Å; W1004-L1037 HydrophobicContact CD2-CD1 3.95Å; W1004-L1037 HydrophobicContact CE3-CB 4.14Å; W1004-L1037 HydrophobicContact CE3-CD1 3.82Å; W1004-L1037 HydrophobicContact CE3-CD2 3.96Å; W1004-L1037 HydrophobicContact CE3-CG 4.19Å; W1004-L1037 HydrophobicContact CG-CD1 4.38Å; W1004-L1037 HydrophobicContact CH2-CB 4.46Å; W1004-L1037 HydrophobicContact CZ3-CB 3.86Å; W1004-L1037 HydrophobicContact CZ3-CD1 4.26Å; W1004-L1037 HydrophobicContact CZ3-CD2 4.46Å; W1004-L1037 HydrophobicContact CZ3-CG 4.43Å; W1004-A1039 HydrophobicContact CH2-CB 4.16Å; W1004-A1039 HydrophobicContact CZ3-CB 4.23Å; W1004-L1040 HydrophobicContact CH2-CB 3.77Å; W1004-L1040 HydrophobicContact CH2-CD1 4.29Å; W1004-L1040 HydrophobicContact CZ2-CB 4.13Å; W1004-L1040 HydrophobicContact CZ2-CD1 3.75Å |
| 1005 | T | 89.7 | Confident | 85.6 | Confident | 48 Ų | 48 | 72.1 Ų | 72.1 | 29% | 0.294 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.4 | -48.3 | -174.7 | -55.9 | 0 | 0 | 0 | 0 | 112.1 | A1001 K1007 V1008 E1009 | A1001-T1005 PolarHBondContact O-N 3.49Å; A1001-T1005 PolarHBondContact O-OG1 2.95Å; A1001-T1005 VanDerWaalsContact O-OG1 3.06Å; T1005-K1007 PolarHBondContact O-N 3.29Å; T1005-K1007 VanDerWaalsContact O-N 3.12Å; T1005-V1008 PolarHBondContact O-N 2.82Å; T1005-E1009 PolarHBondContact O-N 3.41Å |
| 1006 | A | 87.8 | Confident | 84.8 | Confident | 55 Ų | 55 | 71.9 Ų | 71.9 | 46% | 0.455 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.3 | -26.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | W1004 A1010 | W1004-A1006 PolarHBondContact O-N 3.3Å; A1006-A1010 PolarHBondContact O-N 3.1Å |
| 1007 | K | 86.9 | Confident | 84.5 | Confident | 112 Ų | 112 | 74 Ų | 74 | 49% | 0.487 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -79.6 | -24.4 | 178.6 | -67.6 | 169.5 | -175 | 158.3 | 0 | 112.7 | E1003 W1004 T1005 L1026 | E1003-K1007 VanDerWaalsContact O-CD 3.29Å; E1003-K1007 WeakPolarHBondContact O-CD 3.27Å; E1003-K1007 WeakPolarHBondContact O-CE 3.16Å; E1003-K1007 WeakPolarHBondContact O-CG 3.32Å; W1004-K1007 PolarHBondContact O-N 3.26Å; W1004-K1007 VanDerWaalsContact O-N 3.09Å; T1005-K1007 PolarHBondContact O-N 3.29Å; T1005-K1007 VanDerWaalsContact O-N 3.12Å; K1007-L1026 HydrophobicContact CB-CD2 3.87Å |
| 1008 | V | 88.2 | Confident | 84.2 | Confident | 3 Ų | 3 | 74.4 Ų | 74.4 | 2% | 0.018 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -76.7 | -44.7 | 174.5 | -178.1 | 0 | 0 | 0 | 0 | 110.5 | W1004 T1005 A1010 I1011 Q1012 L1026 A1039 V1043 | W1004-V1008 HydrophobicContact CD2-CG2 4.13Å; W1004-V1008 HydrophobicContact CE3-CG2 4.1Å; W1004-V1008 HydrophobicContact CH2-CG2 3.55Å; W1004-V1008 HydrophobicContact CZ2-CG2 3.57Å; W1004-V1008 HydrophobicContact CZ3-CG2 3.82Å; W1004-V1008 PolarHBondContact O-N 3.32Å; T1005-V1008 PolarHBondContact O-N 2.82Å; V1008-A1010 PolarHBondContact O-N 3.25Å; V1008-I1011 PolarHBondContact O-N 3.27Å; V1008-Q1012 HydrophobicContact CG1-CG 4.2Å; V1008-Q1012 PolarHBondContact O-N 3.35Å; V1008-L1026 HydrophobicContact CG2-CD1 4.29Å; V1008-A1039 HydrophobicContact CG1-CB 3.99Å; V1008-V1043 HydrophobicContact CG1-CG2 4.1Å |
| 1009 | E | 85.5 | Confident | 84.1 | Confident | 122 Ų | 122 | 75.3 Ų | 75.3 | 57% | 0.57 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -57.6 | -38.4 | 177.3 | -65.1 | 172.1 | 151.5 | 0 | 0 | 111.7 | T1005 I1011 Q1012 S1013 | T1005-E1009 PolarHBondContact O-N 3.41Å; E1009-I1011 VanDerWaalsContact C-N 3.34Å; E1009-I1011 PolarHBondContact O-N 3.27Å; E1009-Q1012 PolarHBondContact O-N 2.91Å; E1009-S1013 WeakPolarHBondContact O-CB 3.49Å; E1009-S1013 PolarHBondContact O-N 3.27Å; E1009-S1013 PolarHBondContact O-OG 3.13Å |
| 1010 | A | 84.1 | Confident | 84 | Confident | 68 Ų | 68 | 70.8 Ų | 70.8 | 56% | 0.562 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -66.8 | -26.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A1006 V1008 | A1006-A1010 PolarHBondContact O-N 3.1Å; V1008-A1010 PolarHBondContact O-N 3.25Å |
| 1011 | I | 81.9 | Confident | 83.8 | Confident | 58 Ų | 58 | 70.4 Ų | 70.4 | 30% | 0.297 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -87 | -40.1 | 174 | -64.6 | -163.7 | 0 | 0 | 0 | 110.9 | V1008 E1009 S1013 G1014 A1018 Q1022 L1023 L1026 | V1008-I1011 PolarHBondContact O-N 3.27Å; E1009-I1011 VanDerWaalsContact C-N 3.34Å; E1009-I1011 PolarHBondContact O-N 3.27Å; I1011-S1013 PolarHBondContact O-N 3.17Å; I1011-G1014 PolarHBondContact O-N 3.06Å; I1011-A1018 HydrophobicContact CG2-CB 3.97Å; I1011-Q1022 HydrophobicContact CD1-CB 4.37Å; I1011-L1023 HydrophobicContact CG2-CD2 4.33Å; I1011-L1026 HydrophobicContact CD1-CD1 3.65Å; I1011-L1026 HydrophobicContact CG1-CD1 4.31Å |
| 1012 | Q | 79.4 | Confident | 83.6 | Confident | 98 Ų | 98 | 73.1 Ų | 73.1 | 46% | 0.458 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68.7 | -14.5 | -178.6 | -68.3 | -169.4 | -14.4 | 0 | 0 | 114.1 | V1008 E1009 | V1008-Q1012 HydrophobicContact CG1-CG 4.2Å; V1008-Q1012 PolarHBondContact O-N 3.35Å; E1009-Q1012 PolarHBondContact O-N 2.91Å |
| 1013 | S | 78.4 | Confident | 83.5 | Confident | 99 Ų | 99 | 67.7 Ų | 67.7 | 69% | 0.692 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -1.3 | 175.7 | 48 | 0 | 0 | 0 | 0 | 114.5 | E1009 I1011 | E1009-S1013 WeakPolarHBondContact O-CB 3.49Å; E1009-S1013 PolarHBondContact O-N 3.27Å; E1009-S1013 PolarHBondContact O-OG 3.13Å; I1011-S1013 PolarHBondContact O-N 3.17Å |
| 1014 | G | 71.1 | Confident | 83.5 | Confident | 47 Ų | 47 | 65 Ų | 65 | 49% | 0.485 | 36% | 0.364 | S | S | . | . | trans | -80 | 149.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | I1011 | I1011-G1014 PolarHBondContact O-N 3.06Š| ||
| 1015 | S | 72.2 | Confident | 83.2 | Confident | 123 Ų | 123 | 66.9 Ų | 66.9 | 86% | 0.86 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -78.3 | -18.5 | 178.5 | 53.7 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1016 | N | 70.7 | Confident | 83.1 | Confident | 133 Ų | 133 | 65.4 Ų | 65.4 | 71% | 0.711 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -111.8 | 137.4 | -178.5 | -70.1 | -21 | 0 | 0 | 0 | 110.3 | A1018 | N1016-A1018 PolarHBondContact O-N 3.38Š|
| 1017 | Y | 79.9 | Confident | 83.2 | Confident | 156 Ų | 156 | 63.3 Ų | 63.3 | 61% | 0.612 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 133.8 | 173.4 | -66.9 | -61.5 | 0 | 0 | 0 | 111.6 | P1237 | Y1017-P1237 VanDerWaalsContact CD1-C 3.47Å; Y1017-P1237 HydrophobicContact CD1-CB 4.02Å; Y1017-P1237 WeakPolarHBondContact CD1-O 3.39Å; Y1017-P1237 HydrophobicContact CE1-CB 3.68Å |
| 1018 | A | 82.6 | Confident | 83.2 | Confident | 12 Ų | 12 | 61 Ų | 61 | 10% | 0.099 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -62 | 155.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1011 N1016 Q1022 L1023 V1238 R1239 | I1011-A1018 HydrophobicContact CG2-CB 3.97Å; N1016-A1018 PolarHBondContact O-N 3.38Å; A1018-Q1022 HydrophobicContact CB-CB 4.45Å; A1018-L1023 HydrophobicContact CB-CD2 4.1Å; A1018-L1023 HydrophobicContact CB-CG 4.13Å; A1018-V1238 WeakPolarHBondContact O-CA 3.48Å; A1018-R1239 PolarHBondContact O-N 2.78Å |
| 1019 | Y | 86.5 | Confident | 83.3 | Confident | 31 Ų | 31 | 66.7 Ų | 66.7 | 12% | 0.122 | 38% | 0.377 | C | S | . | . | B | Isolated β-bridge | trans | -78.2 | 154.3 | 166.7 | -77.2 | -88.7 | 0 | 0 | 0 | 110.8 | E1021 Q1022 R1239 | Y1019-E1021 PolarHBondContact O-N 2.98Å; Y1019-Q1022 WeakPolarHBondContact O-CB 3.33Å; Y1019-Q1022 PolarHBondContact O-N 2.94Å; Y1019-Q1022 VanDerWaalsContact O-N 3.16Å; Y1019-R1239 WeakPolarHBondContact CA-O 3.25Å; Y1019-R1239 HydrophobicContact CD1-CB 3.82Å; Y1019-R1239 HydrophobicContact CE1-CB 3.89Å; Y1019-R1239 HydrophobicContact CG-CB 4.29Å; Y1019-R1239 VanDerWaalsContact OH-CZ 3.22Å; Y1019-R1239 PolarHBondContact OH-NH1 3.31Å; Y1019-R1239 PolarHBondContact OH-NH2 2.98Å |
| 1020 | L | 88 | Confident | 83.4 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -54 | -45.3 | -174.9 | 180 | 54.9 | 0 | 0 | 0 | 113.6 | Q1022 L1023 E1024 V1047 A1050 V1238 R1239 L1240 | L1020-Q1022 PolarHBondContact O-N 2.94Å; L1020-L1023 PolarHBondContact O-N 3.29Å; L1020-L1023 VanDerWaalsContact O-N 3.12Å; L1020-E1024 HydrophobicContact CD1-CG 3.85Å; L1020-E1024 HydrophobicContact CG-CG 4.03Å; L1020-E1024 WeakPolarHBondContact O-CG 3.41Å; L1020-E1024 PolarHBondContact O-N 3.28Å; L1020-V1047 HydrophobicContact CD1-CB 4.42Å; L1020-V1047 HydrophobicContact CD1-CG1 4.36Å; L1020-V1047 HydrophobicContact CD1-CG2 4.31Å; L1020-A1050 HydrophobicContact CD1-CB 3.58Å; L1020-A1050 HydrophobicContact CD2-CB 3.88Å; L1020-A1050 HydrophobicContact CG-CB 4.23Å; L1020-V1238 HydrophobicContact CB-CG2 4.15Å; L1020-V1238 HydrophobicContact CD1-CG2 4.44Å; L1020-R1239 PolarHBondContact N-O 3.11Å; L1020-R1239 VanDerWaalsContact N-O 3.08Å; L1020-L1240 HydrophobicContact CB-CG 4.48Å; L1020-L1240 HydrophobicContact CD2-CD2 3.88Å |
| 1021 | E | 85.7 | Confident | 83.5 | Confident | 94 Ų | 94 | 64.4 Ų | 64.4 | 44% | 0.439 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.4 | -33.6 | -177.9 | -70.1 | 90.4 | -151.7 | 0 | 0 | 112.8 | Y1019 E1024 S1025 | Y1019-E1021 PolarHBondContact O-N 2.98Å; E1021-E1024 PolarHBondContact O-N 3.25Å; E1021-S1025 VanDerWaalsContact O-CB 3.31Å; E1021-S1025 WeakPolarHBondContact O-CB 3.48Å; E1021-S1025 PolarHBondContact O-N 3.12Å |
| 1022 | Q | 85 | Confident | 83.8 | Confident | 56 Ų | 56 | 66.2 Ų | 66.2 | 26% | 0.262 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.4 | -40.9 | -179.7 | -62.6 | 174.5 | -9 | 0 | 0 | 111.2 | I1011 A1018 Y1019 L1020 L1026 | I1011-Q1022 HydrophobicContact CD1-CB 4.37Å; A1018-Q1022 HydrophobicContact CB-CB 4.45Å; Y1019-Q1022 WeakPolarHBondContact O-CB 3.33Å; Y1019-Q1022 PolarHBondContact O-N 2.94Å; Y1019-Q1022 VanDerWaalsContact O-N 3.16Å; L1020-Q1022 PolarHBondContact O-N 2.94Å; Q1022-L1026 PolarHBondContact O-N 3.34Å |
| 1023 | L | 87.8 | Confident | 84.1 | Confident | 6 Ų | 6 | 62 Ų | 62 | 3% | 0.031 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -74.4 | -36.4 | 175.8 | -57.4 | -179.9 | 0 | 0 | 0 | 111.7 | I1011 A1018 L1020 S1025 L1026 S1027 V1043 Q1046 V1047 V1238 | I1011-L1023 HydrophobicContact CG2-CD2 4.33Å; A1018-L1023 HydrophobicContact CB-CD2 4.1Å; A1018-L1023 HydrophobicContact CB-CG 4.13Å; L1020-L1023 PolarHBondContact O-N 3.29Å; L1020-L1023 VanDerWaalsContact O-N 3.12Å; L1023-S1025 VanDerWaalsContact C-N 3.34Å; L1023-L1026 PolarHBondContact O-N 3.1Å; L1023-S1027 WeakPolarHBondContact O-CB 3.49Å; L1023-S1027 PolarHBondContact O-N 2.88Å; L1023-V1043 HydrophobicContact CB-CG1 4.24Å; L1023-V1043 HydrophobicContact CD2-CG1 4.44Å; L1023-V1043 WeakPolarHBondContact O-CG1 3.33Å; L1023-Q1046 HydrophobicContact CD1-CB 4Å; L1023-V1047 VanDerWaalsContact C-CG2 3.49Å; L1023-V1047 HydrophobicContact CB-CG2 3.58Å; L1023-V1238 HydrophobicContact CD1-CB 4.09Å; L1023-V1238 HydrophobicContact CD1-CG2 3.89Å |
| 1024 | E | 88.4 | Confident | 84.4 | Confident | 34 Ų | 34 | 59.1 Ų | 59.1 | 16% | 0.159 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.9 | -43 | 172.4 | -71.7 | -177 | 130.8 | 0 | 0 | 111.3 | L1020 E1021 S1027 A1028 V1047 R1051 R1054 | L1020-E1024 HydrophobicContact CD1-CG 3.85Å; L1020-E1024 HydrophobicContact CG-CG 4.03Å; L1020-E1024 WeakPolarHBondContact O-CG 3.41Å; L1020-E1024 PolarHBondContact O-N 3.28Å; E1021-E1024 PolarHBondContact O-N 3.25Å; E1024-S1027 PolarHBondContact O-N 3.29Å; E1024-A1028 WeakPolarHBondContact O-CB 3.43Å; E1024-A1028 PolarHBondContact O-N 2.93Å; E1024-V1047 HydrophobicContact CG-CG1 3.7Å; E1024-V1047 HydrophobicContact CG-CG2 4.08Å; E1024-R1051 IonicContact OE1-CZ 3Å; E1024-R1051 IonicContact OE1-NE 3.22Å; E1024-R1051 PolarHBondContact OE1-NE 2.91Å; E1024-R1051 IonicContact OE1-NH2 2.68Å; E1024-R1051 PolarHBondContact OE1-NH2 3.1Å; E1024-R1054 IonicContact OE1-NH2 3.49Å; E1024-R1054 PolarHBondContact OE1-NH2 3.11Å; E1024-R1054 IonicContact OE2-NH2 3.66Å; E1024-R1054 PolarHBondContact OE2-NH2 3.39Å |
| 1025 | S | 86.9 | Confident | 85.2 | Confident | 49 Ų | 49 | 56.9 Ų | 56.9 | 34% | 0.343 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 177 | -153.3 | 0 | 0 | 0 | 0 | 112.3 | E1021 L1023 K1029 | E1021-S1025 VanDerWaalsContact O-CB 3.31Å; E1021-S1025 WeakPolarHBondContact O-CB 3.48Å; E1021-S1025 PolarHBondContact O-N 3.12Å; L1023-S1025 VanDerWaalsContact C-N 3.34Å; S1025-K1029 WeakPolarHBondContact O-CB 3.49Å; S1025-K1029 WeakPolarHBondContact O-CD 3.42Å; S1025-K1029 VanDerWaalsContact O-CG 3.27Å; S1025-K1029 WeakPolarHBondContact O-CG 3.35Å; S1025-K1029 PolarHBondContact O-N 3.01Å; S1025-K1029 VanDerWaalsContact O-N 3.09Å; S1025-K1029 PolarHBondContact OG-NZ 3.25Å |
| 1026 | L | 88.9 | Confident | 86 | Confident | 17 Ų | 17 | 58 Ų | 58 | 9% | 0.089 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.2 | -42.6 | 175.7 | -73.8 | 178.4 | 0 | 0 | 0 | 112.5 | W1004 K1007 V1008 I1011 Q1022 L1023 K1029 G1030 V1043 | W1004-L1026 PolarHBondContact NE1-O 2.93Å; K1007-L1026 HydrophobicContact CB-CD2 3.87Å; V1008-L1026 HydrophobicContact CG2-CD1 4.29Å; I1011-L1026 HydrophobicContact CD1-CD1 3.65Å; I1011-L1026 HydrophobicContact CG1-CD1 4.31Å; Q1022-L1026 PolarHBondContact O-N 3.34Å; L1023-L1026 PolarHBondContact O-N 3.1Å; L1026-K1029 PolarHBondContact O-N 3.42Å; L1026-G1030 PolarHBondContact O-N 2.91Å; L1026-V1043 HydrophobicContact CB-CG1 4.21Å |
| 1027 | S | 89.4 | Confident | 86.9 | Confident | 10 Ų | 10 | 52.5 Ų | 52.5 | 7% | 0.07 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.3 | -48.8 | 175.1 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | L1023 E1024 K1029 G1030 R1031 | L1023-S1027 WeakPolarHBondContact O-CB 3.49Å; L1023-S1027 PolarHBondContact O-N 2.88Å; E1024-S1027 PolarHBondContact O-N 3.29Å; S1027-K1029 PolarHBondContact O-N 2.82Å; S1027-G1030 PolarHBondContact O-N 2.83Å; S1027-R1031 WeakPolarHBondContact O-CG 3.36Å; S1027-R1031 PolarHBondContact O-N 2.82Å |
| 1028 | A | 87 | Confident | 87.2 | Confident | 63 Ų | 63 | 50.5 Ų | 50.5 | 52% | 0.521 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1024 P1032 | E1024-A1028 WeakPolarHBondContact O-CB 3.43Å; E1024-A1028 PolarHBondContact O-N 2.93Å; A1028-P1032 WeakPolarHBondContact O-CD 3.45Å |
| 1029 | K | 88.9 | Confident | 87.5 | Confident | 124 Ų | 124 | 51.2 Ų | 51.2 | 54% | 0.539 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -73 | -25 | 179.4 | -72.1 | 163.6 | -177.7 | 155.8 | 0 | 113.6 | S1025 L1026 S1027 I1033 | S1025-K1029 WeakPolarHBondContact O-CB 3.49Å; S1025-K1029 WeakPolarHBondContact O-CD 3.42Å; S1025-K1029 VanDerWaalsContact O-CG 3.27Å; S1025-K1029 WeakPolarHBondContact O-CG 3.35Å; S1025-K1029 PolarHBondContact O-N 3.01Å; S1025-K1029 VanDerWaalsContact O-N 3.09Å; S1025-K1029 PolarHBondContact OG-NZ 3.25Å; L1026-K1029 PolarHBondContact O-N 3.42Å; S1027-K1029 PolarHBondContact O-N 2.82Å; K1029-I1033 WeakPolarHBondContact O-CD1 3.47Å |
| 1030 | G | 88.2 | Confident | 87.7 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -82.6 | -40.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1026 S1027 I1033 L1037 | L1026-G1030 PolarHBondContact O-N 2.91Å; S1027-G1030 PolarHBondContact O-N 2.83Å; G1030-I1033 PolarHBondContact O-N 3.42Å; G1030-L1037 WeakPolarHBondContact O-CD1 3.3Å |
| 1031 | R | 86.5 | Confident | 87.8 | Confident | 142 Ų | 142 | 54.5 Ų | 54.5 | 54% | 0.536 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -50.1 | -178.3 | -77.1 | 175.3 | 173.7 | -165.2 | -3.6 | 115.7 | R968 S1027 I1033 E1044 | R968-R1031 PolarHBondContact NH2-O 2.88Å; S1027-R1031 WeakPolarHBondContact O-CG 3.36Å; S1027-R1031 PolarHBondContact O-N 2.82Å; R1031-I1033 VanDerWaalsContact C-N 3.35Å; R1031-I1033 PolarHBondContact O-N 2.84Å; R1031-E1044 IonicContact CZ-OE1 3.8Å; R1031-E1044 IonicContact NE-OE1 3.44Å; R1031-E1044 PolarHBondContact NE-OE1 2.73Å; R1031-E1044 IonicContact NH2-OE1 2.77Å; R1031-E1044 PolarHBondContact NH2-OE1 2.99Å |
| 1032 | P | 87.7 | Confident | 87.9 | Confident | 95 Ų | 95 | 54.9 Ų | 54.9 | 62% | 0.617 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -13.9 | -169.9 | 30.6 | -37.1 | 0 | 0 | 0 | 114.7 | A1028 P1034 | A1028-P1032 WeakPolarHBondContact O-CD 3.45Å; P1032-P1034 WeakPolarHBondContact O-CD 3.42Å |
| 1033 | I | 87.1 | Confident | 88.1 | Confident | 11 Ų | 11 | 52.3 Ų | 52.3 | 6% | 0.056 | 28% | 0.277 | C | S | . | . | trans | -70.8 | 118.3 | -177.3 | -60.5 | 169.3 | 0 | 0 | 0 | 108.8 | R968 K1000 A1001 W1004 K1029 G1030 R1031 V1035 L1037 | R968-I1033 PolarHBondContact NH1-O 3.01Å; R968-I1033 PolarHBondContact NH2-O 2.81Å; K1000-I1033 HydrophobicContact CB-CD1 4.23Å; K1000-I1033 HydrophobicContact CB-CG1 4.08Å; K1000-I1033 HydrophobicContact CB-CG2 4.43Å; K1000-I1033 WeakPolarHBondContact O-CD1 3.3Å; A1001-I1033 HydrophobicContact CB-CG2 3.88Å; W1004-I1033 HydrophobicContact CB-CD1 3.77Å; W1004-I1033 HydrophobicContact CG-CD1 4.16Å; K1029-I1033 WeakPolarHBondContact O-CD1 3.47Å; G1030-I1033 PolarHBondContact O-N 3.42Å; R1031-I1033 VanDerWaalsContact C-N 3.35Å; R1031-I1033 PolarHBondContact O-N 2.84Å; I1033-V1035 HydrophobicContact CG2-CB 4.08Å; I1033-V1035 HydrophobicContact CG2-CG2 4.03Å; I1033-V1035 PolarHBondContact O-N 2.8Å; I1033-L1037 HydrophobicContact CB-CD1 4.13Å; I1033-L1037 HydrophobicContact CD1-CD1 4.03Å; I1033-L1037 HydrophobicContact CG2-CD1 4.45Å | ||
| 1034 | P | 84.9 | Confident | 88.2 | Confident | 38 Ų | 38 | 54.6 Ų | 54.6 | 25% | 0.247 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -81.7 | 42.3 | -173.9 | 34.1 | -34.7 | 0 | 0 | 0 | 112.9 | L963 A997 P1032 | L963-P1034 HydrophobicContact CD2-CB 4.41Å; L963-P1034 HydrophobicContact CD2-CG 3.88Å; A997-P1034 HydrophobicContact CB-CG 3.57Å; P1032-P1034 WeakPolarHBondContact O-CD 3.42Å |
| 1035 | V | 86.9 | Confident | 88.3 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -126.1 | 155.7 | 176.9 | -170.8 | 0 | 0 | 0 | 0 | 108.5 | R968 M971 L974 A997 A1001 I1033 L1037 | R968-V1035 WeakPolarHBondContact CD-O 3.37Å; R968-V1035 PolarHBondContact NH1-O 3.02Å; M971-V1035 HydrophobicContact CG-CG1 3.62Å; L974-V1035 HydrophobicContact CD1-CG2 4.13Å; A997-V1035 HydrophobicContact CB-CG2 3.98Å; A1001-V1035 HydrophobicContact CB-CB 3.91Å; A1001-V1035 HydrophobicContact CB-CG1 4.04Å; A1001-V1035 HydrophobicContact CB-CG2 4.02Å; I1033-V1035 HydrophobicContact CG2-CB 4.08Å; I1033-V1035 HydrophobicContact CG2-CG2 4.03Å; I1033-V1035 PolarHBondContact O-N 2.8Å; V1035-L1037 PolarHBondContact O-N 3.2Å |
| 1036 | R | 88.2 | Confident | 88.5 | Confident | 147 Ų | 147 | 56.9 Ų | 56.9 | 56% | 0.555 | 30% | 0.301 | S | S | * | . | trans | -66.7 | 128.5 | 170.8 | 177.2 | 175.6 | 168.7 | 160.8 | -0.9 | 110.2 | R968 H969 D1038 | R968-R1036 HydrophobicContact CB-CB 4.37Å; H969-R1036 WeakPolarHBondContact O-CB 3.3Å; H969-R1036 PolarHBondContact O-N 3.18Å; H969-R1036 VanDerWaalsContact O-N 3.15Å; R1036-D1038 IonicContact CZ-OD1 3.53Å; R1036-D1038 IonicContact NE-OD1 2.71Å; R1036-D1038 PolarHBondContact NE-OD1 3.45Å; R1036-D1038 IonicContact NE-OD2 2.73Å; R1036-D1038 PolarHBondContact NE-OD2 3.34Å; R1036-D1038 IonicContact NH2-OD1 3.9Å; R1036-D1038 PolarHBondContact NH2-OD1 2.76Å | ||
| 1037 | L | 90 | Very high | 88.5 | Confident | 16 Ų | 16 | 56.3 Ų | 56.3 | 8% | 0.084 | 30% | 0.298 | C | S | . | . | trans | -128.5 | 100.5 | 178.6 | -62 | 177.7 | 0 | 0 | 0 | 109.1 | A1001 W1004 G1030 I1033 V1035 A1039 L1040 | A1001-L1037 HydrophobicContact CB-CD2 3.99Å; W1004-L1037 HydrophobicContact CD2-CD1 3.95Å; W1004-L1037 HydrophobicContact CE3-CB 4.14Å; W1004-L1037 HydrophobicContact CE3-CD1 3.82Å; W1004-L1037 HydrophobicContact CE3-CD2 3.96Å; W1004-L1037 HydrophobicContact CE3-CG 4.19Å; W1004-L1037 HydrophobicContact CG-CD1 4.38Å; W1004-L1037 HydrophobicContact CH2-CB 4.46Å; W1004-L1037 HydrophobicContact CZ3-CB 3.86Å; W1004-L1037 HydrophobicContact CZ3-CD1 4.26Å; W1004-L1037 HydrophobicContact CZ3-CD2 4.46Å; W1004-L1037 HydrophobicContact CZ3-CG 4.43Å; G1030-L1037 WeakPolarHBondContact O-CD1 3.3Å; I1033-L1037 HydrophobicContact CB-CD1 4.13Å; I1033-L1037 HydrophobicContact CD1-CD1 4.03Å; I1033-L1037 HydrophobicContact CG2-CD1 4.45Å; V1035-L1037 PolarHBondContact O-N 3.2Å; L1037-A1039 PolarHBondContact O-N 2.99Å; L1037-L1040 HydrophobicContact CB-CB 4.32Å; L1037-L1040 PolarHBondContact O-N 2.96Å | ||
| 1038 | D | 86.5 | Confident | 88.6 | Confident | 114 Ų | 114 | 58.5 Ų | 58.5 | 61% | 0.61 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -28.4 | -166.8 | -69.8 | -77.5 | 0 | 0 | 0 | 114.9 | R1036 | R1036-D1038 IonicContact CZ-OD1 3.53Å; R1036-D1038 IonicContact NE-OD1 2.71Å; R1036-D1038 PolarHBondContact NE-OD1 3.45Å; R1036-D1038 IonicContact NE-OD2 2.73Å; R1036-D1038 PolarHBondContact NE-OD2 3.34Å; R1036-D1038 IonicContact NH2-OD1 3.9Å; R1036-D1038 PolarHBondContact NH2-OD1 2.76Å |
| 1039 | A | 89 | Confident | 88.7 | Confident | 27 Ų | 27 | 57.5 Ų | 57.5 | 22% | 0.223 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -10.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | W1004 V1008 L1037 Q1042 | W1004-A1039 HydrophobicContact CH2-CB 4.16Å; W1004-A1039 HydrophobicContact CZ3-CB 4.23Å; V1008-A1039 HydrophobicContact CG1-CB 3.99Å; L1037-A1039 PolarHBondContact O-N 2.99Å; A1039-Q1042 PolarHBondContact O-N 2.86Å |
| 1040 | L | 90.7 | Very high | 88.8 | Confident | 17 Ų | 17 | 51.6 Ų | 51.6 | 9% | 0.089 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.2 | -45.6 | -170.9 | 179.4 | 61 | 0 | 0 | 0 | 113.8 | W1004 L1037 Q1042 V1043 E1044 | W1004-L1040 HydrophobicContact CH2-CB 3.77Å; W1004-L1040 HydrophobicContact CH2-CD1 4.29Å; W1004-L1040 HydrophobicContact CZ2-CB 4.13Å; W1004-L1040 HydrophobicContact CZ2-CD1 3.75Å; L1037-L1040 HydrophobicContact CB-CB 4.32Å; L1037-L1040 PolarHBondContact O-N 2.96Å; L1040-Q1042 PolarHBondContact O-N 3.39Å; L1040-Q1042 VanDerWaalsContact O-N 3.16Å; L1040-V1043 PolarHBondContact O-N 2.71Å; L1040-E1044 HydrophobicContact CD1-CG 4.06Å; L1040-E1044 HydrophobicContact CG-CG 4.32Å; L1040-E1044 WeakPolarHBondContact O-CG 3.37Å; L1040-E1044 PolarHBondContact O-N 2.7Å; L1040-E1044 VanDerWaalsContact O-N 3.16Å |
| 1041 | P | 89.2 | Confident | 88.9 | Confident | 84 Ų | 84 | 57.4 Ų | 57.4 | 55% | 0.545 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61 | -29.1 | -176.9 | -24.5 | 35.7 | 0 | 0 | 0 | 114.3 | S1045 | P1041-S1045 PolarHBondContact O-N 3.01Å; P1041-S1045 VanDerWaalsContact O-N 3.14Å |
| 1042 | Q | 88.6 | Confident | 89.1 | Confident | 103 Ų | 103 | 53 Ų | 53 | 48% | 0.481 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -69.4 | -44.5 | 179 | -171.1 | -177.1 | 9 | 0 | 0 | 111.4 | A1039 L1040 S1045 Q1046 | A1039-Q1042 PolarHBondContact O-N 2.86Å; L1040-Q1042 PolarHBondContact O-N 3.39Å; L1040-Q1042 VanDerWaalsContact O-N 3.16Å; Q1042-S1045 PolarHBondContact O-N 3.01Å; Q1042-Q1046 PolarHBondContact O-N 3.39Å |
| 1043 | V | 89.3 | Confident | 89.5 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 177.3 | -178.7 | 0 | 0 | 0 | 0 | 110.5 | V1008 L1023 L1026 L1040 S1045 Q1046 V1047 | V1008-V1043 HydrophobicContact CG1-CG2 4.1Å; L1023-V1043 HydrophobicContact CB-CG1 4.24Å; L1023-V1043 HydrophobicContact CD2-CG1 4.44Å; L1023-V1043 WeakPolarHBondContact O-CG1 3.33Å; L1026-V1043 HydrophobicContact CB-CG1 4.21Å; L1040-V1043 PolarHBondContact O-N 2.71Å; V1043-S1045 VanDerWaalsContact C-N 3.34Å; V1043-S1045 PolarHBondContact O-N 3.04Å; V1043-Q1046 PolarHBondContact O-N 3.39Å; V1043-V1047 WeakPolarHBondContact O-CG2 3.32Å; V1043-V1047 PolarHBondContact O-N 3.49Å; V1043-V1047 VanDerWaalsContact O-N 3.13Å |
| 1044 | E | 90.7 | Very high | 89.8 | Confident | 54 Ų | 54 | 51.3 Ų | 51.3 | 25% | 0.252 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.7 | -37.9 | 178.1 | -65.2 | -168.4 | 109.3 | 0 | 0 | 113 | R1031 L1040 V1047 A1048 | R1031-E1044 IonicContact CZ-OE1 3.8Å; R1031-E1044 IonicContact NE-OE1 3.44Å; R1031-E1044 PolarHBondContact NE-OE1 2.73Å; R1031-E1044 IonicContact NH2-OE1 2.77Å; R1031-E1044 PolarHBondContact NH2-OE1 2.99Å; L1040-E1044 HydrophobicContact CD1-CG 4.06Å; L1040-E1044 HydrophobicContact CG-CG 4.32Å; L1040-E1044 WeakPolarHBondContact O-CG 3.37Å; L1040-E1044 PolarHBondContact O-N 2.7Å; L1040-E1044 VanDerWaalsContact O-N 3.16Å; E1044-V1047 PolarHBondContact O-N 2.9Å; E1044-A1048 WeakPolarHBondContact O-CB 3.37Å; E1044-A1048 PolarHBondContact O-N 3.47Å |
| 1045 | S | 89.8 | Confident | 90 | Very high | 82 Ų | 82 | 54.5 Ų | 54.5 | 57% | 0.573 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -63.4 | -43.5 | 176.9 | -171.9 | 0 | 0 | 0 | 0 | 112.4 | P1041 Q1042 V1043 A1048 A1049 | P1041-S1045 PolarHBondContact O-N 3.01Å; P1041-S1045 VanDerWaalsContact O-N 3.14Å; Q1042-S1045 PolarHBondContact O-N 3.01Å; V1043-S1045 VanDerWaalsContact C-N 3.34Å; V1043-S1045 PolarHBondContact O-N 3.04Å; S1045-A1048 PolarHBondContact O-N 3Å; S1045-A1049 PolarHBondContact O-N 3.29Å; S1045-A1049 VanDerWaalsContact O-N 3.13Å |
| 1046 | Q | 90.3 | Very high | 90.2 | Very high | 49 Ų | 49 | 60.9 Ų | 60.9 | 23% | 0.229 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.5 | -44.2 | 177.9 | -68 | 174.5 | -24 | 0 | 0 | 111.9 | L1023 Q1042 V1043 A1048 A1049 A1050 P1237 | L1023-Q1046 HydrophobicContact CD1-CB 4Å; Q1042-Q1046 PolarHBondContact O-N 3.39Å; V1043-Q1046 PolarHBondContact O-N 3.39Å; Q1046-A1048 VanDerWaalsContact C-N 3.34Å; Q1046-A1048 PolarHBondContact O-N 3.06Å; Q1046-A1049 PolarHBondContact O-N 3.23Å; Q1046-A1050 PolarHBondContact O-N 2.98Å; Q1046-P1237 HydrophobicContact CG-CG 4.24Å |
| 1047 | V | 90.5 | Very high | 90.5 | Very high | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.024 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.8 | -44.4 | 174.4 | 168.2 | 0 | 0 | 0 | 0 | 111.5 | L1020 L1023 E1024 V1043 E1044 A1049 A1050 R1051 | L1020-V1047 HydrophobicContact CD1-CB 4.42Å; L1020-V1047 HydrophobicContact CD1-CG1 4.36Å; L1020-V1047 HydrophobicContact CD1-CG2 4.31Å; L1023-V1047 VanDerWaalsContact C-CG2 3.49Å; L1023-V1047 HydrophobicContact CB-CG2 3.58Å; E1024-V1047 HydrophobicContact CG-CG1 3.7Å; E1024-V1047 HydrophobicContact CG-CG2 4.08Å; V1043-V1047 WeakPolarHBondContact O-CG2 3.32Å; V1043-V1047 PolarHBondContact O-N 3.49Å; V1043-V1047 VanDerWaalsContact O-N 3.13Å; E1044-V1047 PolarHBondContact O-N 2.9Å; V1047-A1049 PolarHBondContact O-N 3.36Å; V1047-A1050 PolarHBondContact O-N 3.07Å; V1047-R1051 HydrophobicContact CG1-CG 4.37Å; V1047-R1051 WeakPolarHBondContact O-CB 3.18Å; V1047-R1051 VanDerWaalsContact O-CG 3.3Å; V1047-R1051 WeakPolarHBondContact O-CG 3.49Å; V1047-R1051 PolarHBondContact O-N 3.34Å |
| 1048 | A | 89.7 | Confident | 90.5 | Very high | 56 Ų | 56 | 53.6 Ų | 53.6 | 46% | 0.463 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.1 | -42.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E1044 S1045 Q1046 R1051 A1052 | E1044-A1048 WeakPolarHBondContact O-CB 3.37Å; E1044-A1048 PolarHBondContact O-N 3.47Å; S1045-A1048 PolarHBondContact O-N 3Å; Q1046-A1048 VanDerWaalsContact C-N 3.34Å; Q1046-A1048 PolarHBondContact O-N 3.06Å; A1048-R1051 PolarHBondContact O-N 3.47Å; A1048-A1052 WeakPolarHBondContact O-CB 3.25Å; A1048-A1052 PolarHBondContact O-N 3.38Å |
| 1049 | A | 90.2 | Very high | 90.7 | Very high | 42 Ų | 42 | 55.9 Ų | 55.9 | 35% | 0.347 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1045 Q1046 V1047 A1052 W1053 L1236 | S1045-A1049 PolarHBondContact O-N 3.29Å; S1045-A1049 VanDerWaalsContact O-N 3.13Å; Q1046-A1049 PolarHBondContact O-N 3.23Å; V1047-A1049 PolarHBondContact O-N 3.36Å; A1049-A1052 PolarHBondContact O-N 2.98Å; A1049-W1053 PolarHBondContact O-N 2.67Å; A1049-L1236 HydrophobicContact CB-CD2 3.79Å |
| 1050 | A | 90.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1020 Q1046 V1047 A1052 W1053 R1054 V1238 L1240 | L1020-A1050 HydrophobicContact CD1-CB 3.58Å; L1020-A1050 HydrophobicContact CD2-CB 3.88Å; L1020-A1050 HydrophobicContact CG-CB 4.23Å; Q1046-A1050 PolarHBondContact O-N 2.98Å; V1047-A1050 PolarHBondContact O-N 3.07Å; A1050-A1052 VanDerWaalsContact C-N 3.3Å; A1050-A1052 PolarHBondContact O-N 3.2Å; A1050-W1053 PolarHBondContact O-N 2.59Å; A1050-W1053 VanDerWaalsContact O-N 3.17Å; A1050-R1054 PolarHBondContact O-N 2.96Å; A1050-V1238 HydrophobicContact CB-CG1 3.77Å; A1050-V1238 HydrophobicContact CB-CG2 4.32Å; A1050-L1240 HydrophobicContact CB-CD1 4.17Å; A1050-L1240 HydrophobicContact CB-CD2 4.33Å |
| 1051 | R | 90.7 | Very high | 91 | Very high | 122 Ų | 122 | 55.4 Ų | 55.4 | 46% | 0.46 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -56.2 | -43.9 | 174.2 | -76.5 | 175.9 | 174.5 | -172.3 | -4 | 111.9 | E1024 V1047 A1048 W1053 R1054 E1055 | E1024-R1051 IonicContact OE1-CZ 3Å; E1024-R1051 IonicContact OE1-NE 3.22Å; E1024-R1051 PolarHBondContact OE1-NE 2.91Å; E1024-R1051 IonicContact OE1-NH2 2.68Å; E1024-R1051 PolarHBondContact OE1-NH2 3.1Å; V1047-R1051 HydrophobicContact CG1-CG 4.37Å; V1047-R1051 WeakPolarHBondContact O-CB 3.18Å; V1047-R1051 VanDerWaalsContact O-CG 3.3Å; V1047-R1051 WeakPolarHBondContact O-CG 3.49Å; V1047-R1051 PolarHBondContact O-N 3.34Å; A1048-R1051 PolarHBondContact O-N 3.47Å; R1051-W1053 VanDerWaalsContact C-N 3.32Å; R1051-W1053 PolarHBondContact O-N 2.73Å; R1051-R1054 PolarHBondContact O-N 2.91Å; R1051-E1055 WeakPolarHBondContact O-CB 3.44Å; R1051-E1055 PolarHBondContact O-N 3.24Å |
| 1052 | A | 91.1 | Very high | 91.1 | Very high | 51 Ų | 51 | 53.1 Ų | 53.1 | 42% | 0.421 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.4 | -32.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A1048 A1049 A1050 R1056 | A1048-A1052 WeakPolarHBondContact O-CB 3.25Å; A1048-A1052 PolarHBondContact O-N 3.38Å; A1049-A1052 PolarHBondContact O-N 2.98Å; A1050-A1052 VanDerWaalsContact C-N 3.3Å; A1050-A1052 PolarHBondContact O-N 3.2Å; A1052-R1056 WeakPolarHBondContact O-CB 3.35Å; A1052-R1056 PolarHBondContact O-N 2.82Å |
| 1053 | W | 95.1 | Very high | 90.9 | Very high | 6 Ų | 6 | 51.4 Ų | 51.4 | 2% | 0.023 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.3 | -49.8 | 171.6 | -177.4 | 95 | 0 | 0 | 0 | 111.6 | A1049 A1050 R1051 E1055 R1056 T1057 L1229 S1232 L1233 L1236 L1240 E1242 L1246 | A1049-W1053 PolarHBondContact O-N 2.67Å; A1050-W1053 PolarHBondContact O-N 2.59Å; A1050-W1053 VanDerWaalsContact O-N 3.17Å; R1051-W1053 VanDerWaalsContact C-N 3.32Å; R1051-W1053 PolarHBondContact O-N 2.73Å; W1053-E1055 VanDerWaalsContact C-N 3.27Å; W1053-E1055 PolarHBondContact O-N 3.47Å; W1053-R1056 PolarHBondContact O-N 2.84Å; W1053-T1057 HydrophobicContact CH2-CG2 4.16Å; W1053-T1057 HydrophobicContact CZ2-CG2 4.47Å; W1053-T1057 WeakPolarHBondContact CZ2-OG1 3.27Å; W1053-T1057 PolarHBondContact O-N 2.68Å; W1053-T1057 PolarHBondContact O-OG1 3.01Å; W1053-L1229 PolarHBondContact NE1-O 2.92Å; W1053-S1232 VanDerWaalsContact CD1-OG 3.24Å; W1053-S1232 PolarHBondContact NE1-OG 3.12Å; W1053-L1233 HydrophobicContact CD2-CD1 4.15Å; W1053-L1233 HydrophobicContact CE3-CD1 4.31Å; W1053-L1233 HydrophobicContact CH2-CD1 4.13Å; W1053-L1233 HydrophobicContact CZ2-CB 3.95Å; W1053-L1233 HydrophobicContact CZ2-CD1 3.91Å; W1053-L1233 HydrophobicContact CZ2-CD2 4.32Å; W1053-L1233 HydrophobicContact CZ2-CG 4.28Å; W1053-L1233 HydrophobicContact CZ3-CD1 4.31Å; W1053-L1236 HydrophobicContact CB-CD1 3.72Å; W1053-L1236 HydrophobicContact CD2-CD1 4.48Å; W1053-L1236 HydrophobicContact CG-CD1 3.89Å; W1053-L1240 HydrophobicContact CE3-CD1 4.38Å; W1053-L1240 HydrophobicContact CE3-CD2 4.09Å; W1053-L1240 HydrophobicContact CZ3-CD2 4.44Å; W1053-E1242 HydrophobicContact CZ3-CB 4.23Å; W1053-L1246 HydrophobicContact CH2-CD2 4.13Å; W1053-L1246 HydrophobicContact CZ2-CD2 3.76Å |
| 1054 | R | 92.8 | Very high | 90.4 | Very high | 64 Ų | 64 | 59.9 Ų | 59.9 | 24% | 0.242 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -53.5 | -44.7 | 177.2 | 176.8 | 159.2 | 67.2 | -178.4 | -0.5 | 111.2 | E1024 A1050 R1051 G1058 L1240 E1242 | E1024-R1054 IonicContact OE1-NH2 3.49Å; E1024-R1054 PolarHBondContact OE1-NH2 3.11Å; E1024-R1054 IonicContact OE2-NH2 3.66Å; E1024-R1054 PolarHBondContact OE2-NH2 3.39Å; A1050-R1054 PolarHBondContact O-N 2.96Å; R1051-R1054 PolarHBondContact O-N 2.91Å; R1054-G1058 PolarHBondContact O-N 3.26Å; R1054-L1240 HydrophobicContact CB-CD2 3.93Å; R1054-E1242 WeakPolarHBondContact CD-OE1 3.24Å |
| 1055 | E | 90 | Very high | 89.7 | Confident | 104 Ų | 104 | 65.3 Ų | 65.3 | 49% | 0.486 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.5 | -38.8 | 177.6 | -152.7 | -153.2 | 160.6 | 0 | 0 | 112.9 | R1051 W1053 G1058 R1059 | R1051-E1055 WeakPolarHBondContact O-CB 3.44Å; R1051-E1055 PolarHBondContact O-N 3.24Å; W1053-E1055 VanDerWaalsContact C-N 3.27Å; W1053-E1055 PolarHBondContact O-N 3.47Å; E1055-G1058 PolarHBondContact O-N 3.01Å; E1055-R1059 VanDerWaalsContact CD-NH2 3.31Å; E1055-R1059 WeakPolarHBondContact O-CB 3.49Å; E1055-R1059 VanDerWaalsContact O-CG 3.28Å; E1055-R1059 WeakPolarHBondContact O-CG 3.37Å; E1055-R1059 PolarHBondContact O-N 3.3Å; E1055-R1059 IonicContact OE1-CZ 2.77Å; E1055-R1059 IonicContact OE1-NE 3.7Å; E1055-R1059 PolarHBondContact OE1-NE 3.39Å; E1055-R1059 IonicContact OE1-NH2 3.88Å; E1055-R1059 PolarHBondContact OE1-NH2 3.28Å; E1055-R1059 IonicContact OE2-CZ 3.46Å; E1055-R1059 IonicContact OE2-NE 3.82Å; E1055-R1059 IonicContact OE2-NH2 2.66Å; E1055-R1059 PolarHBondContact OE2-NH2 3.3Å |
| 1056 | R | 91.9 | Very high | 89.1 | Confident | 134 Ų | 134 | 63 Ų | 63 | 51% | 0.506 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.8 | -45.6 | 177.9 | -171.3 | -174.8 | -63.4 | 154.5 | 1.8 | 111.5 | A1052 W1053 G1058 R1059 T1060 L1229 | A1052-R1056 WeakPolarHBondContact O-CB 3.35Å; A1052-R1056 PolarHBondContact O-N 2.82Å; W1053-R1056 PolarHBondContact O-N 2.84Å; R1056-G1058 VanDerWaalsContact C-N 3.34Å; R1056-R1059 PolarHBondContact O-N 3.22Å; R1056-T1060 PolarHBondContact O-N 2.79Å; R1056-T1060 PolarHBondContact O-OG1 2.95Å; R1056-T1060 VanDerWaalsContact O-OG1 3.08Å; R1056-L1229 HydrophobicContact CG-CD2 3.87Å |
| 1057 | T | 93.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 174.6 | -53.8 | 0 | 0 | 0 | 0 | 110.4 | W1053 T1060 F1061 L1070 L1074 L1229 L1246 | W1053-T1057 HydrophobicContact CH2-CG2 4.16Å; W1053-T1057 HydrophobicContact CZ2-CG2 4.47Å; W1053-T1057 WeakPolarHBondContact CZ2-OG1 3.27Å; W1053-T1057 PolarHBondContact O-N 2.68Å; W1053-T1057 PolarHBondContact O-OG1 3.01Å; T1057-T1060 WeakPolarHBondContact O-CB 3.3Å; T1057-T1060 PolarHBondContact O-N 3.11Å; T1057-T1060 VanDerWaalsContact O-N 3.15Å; T1057-F1061 HydrophobicContact CG2-CD2 4.18Å; T1057-F1061 HydrophobicContact CG2-CE2 4.35Å; T1057-F1061 PolarHBondContact O-N 2.96Å; T1057-F1061 VanDerWaalsContact O-N 3.13Å; T1057-L1070 HydrophobicContact CG2-CD1 3.98Å; T1057-L1070 HydrophobicContact CG2-CD2 3.78Å; T1057-L1070 HydrophobicContact CG2-CG 4.41Å; T1057-L1074 HydrophobicContact CG2-CD1 4.39Å; T1057-L1229 HydrophobicContact CG2-CD1 4.16Å; T1057-L1246 HydrophobicContact CG2-CD1 4.36Å; T1057-L1246 HydrophobicContact CG2-CD2 4.14Å |
| 1058 | G | 90.8 | Very high | 88.3 | Confident | 10 Ų | 10 | 68 Ų | 68 | 10% | 0.103 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -55 | -52 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | R1054 E1055 R1056 T1060 F1061 L1062 | R1054-G1058 PolarHBondContact O-N 3.26Å; E1055-G1058 PolarHBondContact O-N 3.01Å; R1056-G1058 VanDerWaalsContact C-N 3.34Å; G1058-T1060 PolarHBondContact O-N 3.49Å; G1058-F1061 PolarHBondContact O-N 3.35Å; G1058-L1062 VanDerWaalsContact O-CB 3.23Å; G1058-L1062 WeakPolarHBondContact O-CB 3.4Å; G1058-L1062 WeakPolarHBondContact O-CG 3.19Å; G1058-L1062 PolarHBondContact O-N 2.76Å |
| 1059 | R | 90.7 | Very high | 88.2 | Confident | 163 Ų | 163 | 68.3 Ų | 68.3 | 62% | 0.615 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -59.8 | -27.8 | 177.3 | -72.1 | 170.9 | -179.7 | -160.3 | 7.9 | 112.7 | E1055 R1056 R1219 | E1055-R1059 VanDerWaalsContact CD-NH2 3.31Å; E1055-R1059 WeakPolarHBondContact O-CB 3.49Å; E1055-R1059 VanDerWaalsContact O-CG 3.28Å; E1055-R1059 WeakPolarHBondContact O-CG 3.37Å; E1055-R1059 PolarHBondContact O-N 3.3Å; E1055-R1059 IonicContact OE1-CZ 2.77Å; E1055-R1059 IonicContact OE1-NE 3.7Å; E1055-R1059 PolarHBondContact OE1-NE 3.39Å; E1055-R1059 IonicContact OE1-NH2 3.88Å; E1055-R1059 PolarHBondContact OE1-NH2 3.28Å; E1055-R1059 IonicContact OE2-CZ 3.46Å; E1055-R1059 IonicContact OE2-NE 3.82Å; E1055-R1059 IonicContact OE2-NH2 2.66Å; E1055-R1059 PolarHBondContact OE2-NH2 3.3Å; R1056-R1059 PolarHBondContact O-N 3.22Å; R1059-R1219 PolarHBondContact O-NH1 3.02Å |
| 1060 | T | 91.6 | Very high | 88.2 | Confident | 33 Ų | 33 | 66.9 Ų | 66.9 | 20% | 0.202 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -77.5 | -48.7 | 178.9 | -61.4 | 0 | 0 | 0 | 0 | 112.7 | R1056 T1057 G1058 P1221 T1225 L1229 | R1056-T1060 PolarHBondContact O-N 2.79Å; R1056-T1060 PolarHBondContact O-OG1 2.95Å; R1056-T1060 VanDerWaalsContact O-OG1 3.08Å; T1057-T1060 WeakPolarHBondContact O-CB 3.3Å; T1057-T1060 PolarHBondContact O-N 3.11Å; T1057-T1060 VanDerWaalsContact O-N 3.15Å; G1058-T1060 PolarHBondContact O-N 3.49Å; T1060-P1221 HydrophobicContact CG2-CB 3.67Å; T1060-P1221 HydrophobicContact CG2-CG 3.93Å; T1060-T1225 HydrophobicContact CG2-CG2 3.85Å; T1060-L1229 HydrophobicContact CG2-CD1 4.05Å |
| 1061 | F | 93.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -89.7 | -39 | -175.5 | -77.4 | -92.7 | 0 | 0 | 0 | 114.1 | T1057 G1058 L1070 V1073 L1074 S1218 R1219 P1221 I1226 L1229 L1246 L1249 | T1057-F1061 HydrophobicContact CG2-CD2 4.18Å; T1057-F1061 HydrophobicContact CG2-CE2 4.35Å; T1057-F1061 PolarHBondContact O-N 2.96Å; T1057-F1061 VanDerWaalsContact O-N 3.13Å; G1058-F1061 PolarHBondContact O-N 3.35Å; F1061-L1070 HydrophobicContact CB-CD1 4.13Å; F1061-V1073 HydrophobicContact CB-CG1 4.03Å; F1061-V1073 HydrophobicContact CD1-CG1 4.29Å; F1061-L1074 HydrophobicContact CD1-CD2 3.89Å; F1061-L1074 HydrophobicContact CD2-CD2 3.96Å; F1061-L1074 HydrophobicContact CE1-CD2 3.73Å; F1061-L1074 HydrophobicContact CE2-CD2 3.81Å; F1061-L1074 HydrophobicContact CG-CD2 3.99Å; F1061-L1074 HydrophobicContact CZ-CD2 3.67Å; F1061-S1218 CarbonylContact O-C 3.55Å; F1061-S1218 WeakPolarHBondContact O-CA 3.22Å; F1061-S1218 WeakPolarHBondContact O-CB 3.41Å; F1061-R1219 PolarHBondContact O-N 3.28Å; F1061-P1221 HydrophobicContact CD1-CG 3.87Å; F1061-P1221 HydrophobicContact CD2-CG 4.32Å; F1061-P1221 HydrophobicContact CE1-CG 3.59Å; F1061-P1221 HydrophobicContact CE2-CG 4.06Å; F1061-P1221 HydrophobicContact CG-CG 4.24Å; F1061-P1221 HydrophobicContact CZ-CG 3.71Å; F1061-I1226 HydrophobicContact CE1-CD1 4.24Å; F1061-I1226 HydrophobicContact CE2-CG1 4.34Å; F1061-I1226 HydrophobicContact CZ-CD1 3.75Å; F1061-I1226 HydrophobicContact CZ-CG1 3.75Å; F1061-I1226 HydrophobicContact CZ-CG2 4.4Å; F1061-L1229 HydrophobicContact CE2-CD1 4.31Å; F1061-L1246 HydrophobicContact CE2-CD1 3.57Å; F1061-L1246 HydrophobicContact CZ-CD1 3.7Å; F1061-L1249 HydrophobicContact CE1-CD2 3.78Å; F1061-L1249 HydrophobicContact CZ-CD2 4.18Å |
| 1062 | L | 90.8 | Very high | 88 | Confident | 36 Ų | 36 | 65.9 Ų | 65.9 | 19% | 0.188 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 141.6 | -170.8 | -58.5 | -177 | 0 | 0 | 0 | 112.3 | G1058 L1070 V1073 R1219 | G1058-L1062 VanDerWaalsContact O-CB 3.23Å; G1058-L1062 WeakPolarHBondContact O-CB 3.4Å; G1058-L1062 WeakPolarHBondContact O-CG 3.19Å; G1058-L1062 PolarHBondContact O-N 2.76Å; L1062-L1070 HydrophobicContact CD1-CB 4.37Å; L1062-V1073 HydrophobicContact CD2-CB 4.06Å; L1062-V1073 HydrophobicContact CD2-CG1 4.47Å; L1062-V1073 HydrophobicContact CD2-CG2 3.69Å; L1062-R1219 WeakPolarHBondContact O-CD 3.14Å; L1062-R1219 PolarHBondContact O-NE 2.78Å; L1062-R1219 VanDerWaalsContact O-NE 3.14Å; L1062-R1219 PolarHBondContact O-NH1 2.84Å |
| 1063 | K | 85.6 | Confident | 88 | Confident | 68 Ų | 68 | 63.5 Ų | 63.5 | 30% | 0.296 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 158 | 167.9 | -66.3 | 177 | 172.4 | -176.3 | 0 | 110.2 | N1065 S1066 M1216 S1218 R1219 | K1063-N1065 PolarHBondContact O-N 3.12Å; K1063-S1066 PolarHBondContact O-N 3.38Å; K1063-M1216 WeakPolarHBondContact CE-O 3.31Å; K1063-M1216 VanDerWaalsContact NZ-CG 3.32Å; K1063-M1216 PolarHBondContact NZ-O 3.21Å; K1063-M1216 PolarHBondContact NZ-SD 3.46Å; K1063-S1218 WeakPolarHBondContact CE-O 3.3Å; K1063-R1219 HydrophobicContact CG-CG 4.26Å |
| 1064 | K | 79.1 | Confident | 87.8 | Confident | 180 Ų | 180 | 63.4 Ų | 63.4 | 78% | 0.783 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 129.1 | 160.1 | -79.5 | -165.6 | 174.1 | -168.9 | 0 | 106.9 | S1066 | K1064-S1066 VanDerWaalsContact C-N 3.35Š|
| 1065 | N | 75.1 | Confident | 87.6 | Confident | 167 Ų | 167 | 60.9 Ų | 60.9 | 89% | 0.893 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 43.1 | -176.9 | -49.7 | 17.8 | 0 | 0 | 0 | 112.5 | K1063 S1067 | K1063-N1065 PolarHBondContact O-N 3.12Å; N1065-S1067 PolarHBondContact O-N 2.7Å |
| 1066 | S | 76.9 | Confident | 87.6 | Confident | 34 Ų | 34 | 56.5 Ų | 56.5 | 24% | 0.238 | 28% | 0.282 | C | S | . | . | trans | -61 | 128.6 | 168.6 | -178.1 | 0 | 0 | 0 | 0 | 110.8 | K1063 K1064 H1068 | K1063-S1066 PolarHBondContact O-N 3.38Å; K1064-S1066 VanDerWaalsContact C-N 3.35Å; S1066-H1068 PolarHBondContact O-N 2.83Å; S1066-H1068 PolarHBondContact OG-N 3.06Å; S1066-H1068 VanDerWaalsContact OG-N 3.16Å; S1066-H1068 PolarHBondContact OG-O 2.7Å | ||
| 1067 | S | 81.2 | Confident | 87.4 | Confident | 109 Ų | 109 | 50.4 Ų | 50.4 | 76% | 0.762 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -83.2 | 10.3 | 169 | 58 | 0 | 0 | 0 | 0 | 113.2 | N1065 | N1065-S1067 PolarHBondContact O-N 2.7Š|
| 1068 | H | 83.3 | Confident | 86.9 | Confident | 50 Ų | 50 | 53.5 Ų | 53.5 | 23% | 0.231 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -123.9 | 140.1 | 178.7 | -56.2 | -41.2 | 0 | 0 | 0 | 110.3 | S1066 Q1072 V1073 | S1066-H1068 PolarHBondContact O-N 2.83Å; S1066-H1068 PolarHBondContact OG-N 3.06Å; S1066-H1068 VanDerWaalsContact OG-N 3.16Å; S1066-H1068 PolarHBondContact OG-O 2.7Å; H1068-Q1072 VanDerWaalsContact CA-OE1 3.3Å; H1068-Q1072 HydrophobicContact CB-CB 4.32Å; H1068-V1073 HydrophobicContact CB-CG2 3.67Å |
| 1069 | T | 87.1 | Confident | 86.5 | Confident | 62 Ų | 62 | 54.7 Ų | 54.7 | 38% | 0.38 | 28% | 0.282 | S | S | . | . | trans | -68.6 | 165 | 173.3 | 72.8 | 0 | 0 | 0 | 0 | 111 | Q1072 V1073 | T1069-Q1072 PolarHBondContact O-N 3.16Å; T1069-Q1072 WeakPolarHBondContact OG1-CB 3.35Å; T1069-Q1072 VanDerWaalsContact OG1-CG 3.27Å; T1069-Q1072 WeakPolarHBondContact OG1-CG 3.03Å; T1069-Q1072 PolarHBondContact OG1-N 3.1Å; T1069-Q1072 VanDerWaalsContact OG1-N 3.13Å; T1069-V1073 PolarHBondContact O-N 3.45Å; T1069-V1073 VanDerWaalsContact O-N 3.17Å | ||
| 1070 | L | 90.5 | Very high | 86.2 | Confident | 12 Ų | 12 | 47.7 Ų | 47.7 | 6% | 0.063 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.1 | -47.3 | 175.2 | 175.8 | 59.4 | 0 | 0 | 0 | 111.1 | T1057 F1061 L1062 Q1072 V1073 L1074 E1242 | T1057-L1070 HydrophobicContact CG2-CD1 3.98Å; T1057-L1070 HydrophobicContact CG2-CD2 3.78Å; T1057-L1070 HydrophobicContact CG2-CG 4.41Å; F1061-L1070 HydrophobicContact CB-CD1 4.13Å; L1062-L1070 HydrophobicContact CD1-CB 4.37Å; L1070-Q1072 PolarHBondContact O-N 3.44Å; L1070-V1073 PolarHBondContact O-N 2.61Å; L1070-V1073 VanDerWaalsContact O-N 3.1Å; L1070-L1074 HydrophobicContact CD1-CD1 3.85Å; L1070-L1074 HydrophobicContact CD1-CD2 4.44Å; L1070-L1074 HydrophobicContact CD1-CG 3.94Å; L1070-L1074 HydrophobicContact CG-CD1 3.94Å; L1070-L1074 HydrophobicContact CG-CG 4.39Å; L1070-L1074 WeakPolarHBondContact O-CG 3.1Å; L1070-L1074 PolarHBondContact O-N 2.86Å; L1070-E1242 HydrophobicContact CB-CG 4.27Å; L1070-E1242 HydrophobicContact CD2-CB 3.92Å; L1070-E1242 HydrophobicContact CD2-CG 3.95Å; L1070-E1242 HydrophobicContact CG-CB 4.16Å; L1070-E1242 HydrophobicContact CG-CG 3.99Å |
| 1071 | L | 89.5 | Confident | 85.4 | Confident | 24 Ų | 24 | 48 Ų | 48 | 13% | 0.126 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.2 | -49.1 | 177.2 | -173 | 59.4 | 0 | 0 | 0 | 111.2 | V1073 L1074 S1075 F1130 P1241 E1242 A1245 | L1071-V1073 PolarHBondContact O-N 2.79Å; L1071-L1074 PolarHBondContact O-N 2.73Å; L1071-L1074 VanDerWaalsContact O-N 3.12Å; L1071-S1075 WeakPolarHBondContact O-CB 3.33Å; L1071-S1075 PolarHBondContact O-N 2.77Å; L1071-S1075 PolarHBondContact O-OG 2.9Å; L1071-F1130 HydrophobicContact CD1-CZ 4.26Å; L1071-P1241 HydrophobicContact CD1-CB 4.24Å; L1071-P1241 HydrophobicContact CD2-CB 4.26Å; L1071-E1242 HydrophobicContact CB-CG 4.01Å; L1071-E1242 HydrophobicContact CD1-CG 4.38Å; L1071-A1245 HydrophobicContact CD1-CB 3.78Å |
| 1072 | Q | 88.3 | Confident | 84.3 | Confident | 76 Ų | 76 | 51.7 Ų | 51.7 | 36% | 0.355 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -57 | -33.6 | 177.7 | -75.9 | 171 | -2.3 | 0 | 0 | 113.4 | H1068 T1069 L1070 R1217 | H1068-Q1072 VanDerWaalsContact CA-OE1 3.3Å; H1068-Q1072 HydrophobicContact CB-CB 4.32Å; T1069-Q1072 PolarHBondContact O-N 3.16Å; T1069-Q1072 WeakPolarHBondContact OG1-CB 3.35Å; T1069-Q1072 VanDerWaalsContact OG1-CG 3.27Å; T1069-Q1072 WeakPolarHBondContact OG1-CG 3.03Å; T1069-Q1072 PolarHBondContact OG1-N 3.1Å; T1069-Q1072 VanDerWaalsContact OG1-N 3.13Å; L1070-Q1072 PolarHBondContact O-N 3.44Å; Q1072-R1217 PolarHBondContact O-NH1 3.02Å; Q1072-R1217 PolarHBondContact O-NH2 3.13Å |
| 1073 | V | 89.6 | Confident | 82.8 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.012 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -80.9 | -28.3 | 179.6 | 167.6 | 0 | 0 | 0 | 0 | 113 | F1061 L1062 H1068 T1069 L1070 L1071 S1218 | F1061-V1073 HydrophobicContact CB-CG1 4.03Å; F1061-V1073 HydrophobicContact CD1-CG1 4.29Å; L1062-V1073 HydrophobicContact CD2-CB 4.06Å; L1062-V1073 HydrophobicContact CD2-CG1 4.47Å; L1062-V1073 HydrophobicContact CD2-CG2 3.69Å; H1068-V1073 HydrophobicContact CB-CG2 3.67Å; T1069-V1073 PolarHBondContact O-N 3.45Å; T1069-V1073 VanDerWaalsContact O-N 3.17Å; L1070-V1073 PolarHBondContact O-N 2.61Å; L1070-V1073 VanDerWaalsContact O-N 3.1Å; L1071-V1073 PolarHBondContact O-N 2.79Å; V1073-S1218 VanDerWaalsContact CG1-CB 3.47Å |
| 1074 | L | 91.5 | Very high | 81 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -81.7 | -30.7 | 175.1 | -63.5 | 177.6 | 0 | 0 | 0 | 112.5 | T1057 F1061 L1070 L1071 E1242 A1245 L1246 L1249 | T1057-L1074 HydrophobicContact CG2-CD1 4.39Å; F1061-L1074 HydrophobicContact CD1-CD2 3.89Å; F1061-L1074 HydrophobicContact CD2-CD2 3.96Å; F1061-L1074 HydrophobicContact CE1-CD2 3.73Å; F1061-L1074 HydrophobicContact CE2-CD2 3.81Å; F1061-L1074 HydrophobicContact CG-CD2 3.99Å; F1061-L1074 HydrophobicContact CZ-CD2 3.67Å; L1070-L1074 HydrophobicContact CD1-CD1 3.85Å; L1070-L1074 HydrophobicContact CD1-CD2 4.44Å; L1070-L1074 HydrophobicContact CD1-CG 3.94Å; L1070-L1074 HydrophobicContact CG-CD1 3.94Å; L1070-L1074 HydrophobicContact CG-CG 4.39Å; L1070-L1074 WeakPolarHBondContact O-CG 3.1Å; L1070-L1074 PolarHBondContact O-N 2.86Å; L1071-L1074 PolarHBondContact O-N 2.73Å; L1071-L1074 VanDerWaalsContact O-N 3.12Å; L1074-E1242 HydrophobicContact CD1-CB 4.04Å; L1074-E1242 WeakPolarHBondContact CD1-O 3.35Å; L1074-A1245 HydrophobicContact CB-CB 3.74Å; L1074-A1245 HydrophobicContact CD1-CB 4.23Å; L1074-L1246 HydrophobicContact CD1-CB 4.15Å; L1074-L1246 HydrophobicContact CD1-CD1 4.16Å; L1074-L1246 HydrophobicContact CD2-CD1 3.6Å; L1074-L1249 HydrophobicContact CD2-CD2 3.74Å |
| 1075 | S | 88.7 | Confident | 79.1 | Confident | 10 Ų | 10 | 50.3 Ų | 50.3 | 7% | 0.07 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -77.4 | 150.3 | 175.4 | -57 | 0 | 0 | 0 | 0 | 113.1 | L1071 F1130 | L1071-S1075 WeakPolarHBondContact O-CB 3.33Å; L1071-S1075 PolarHBondContact O-N 2.77Å; L1071-S1075 PolarHBondContact O-OG 2.9Å; S1075-F1130 VanDerWaalsContact OG-CE1 3.25Å; S1075-F1130 WeakPolarHBondContact OG-CE1 3.34Å; S1075-F1130 WeakPolarHBondContact OG-CZ 3.36Å |
| 1076 | P | 89.6 | Confident | 77.1 | Confident | 13 Ų | 13 | 45.3 Ų | 45.3 | 8% | 0.084 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -54.3 | 146.2 | 167.7 | -23.7 | 33.7 | 0 | 0 | 0 | 112.5 | T1078 R1133 E1134 E1137 | P1076-T1078 PolarHBondContact O-N 2.84Å; P1076-R1133 HydrophobicContact CB-CB 4.17Å; P1076-R1133 WeakPolarHBondContact CB-O 3.49Å; P1076-R1133 HydrophobicContact CG-CB 4.18Å; P1076-E1134 HydrophobicContact CG-CB 4.16Å; P1076-E1137 WeakPolarHBondContact CA-OE1 3.26Å; P1076-E1137 HydrophobicContact CB-CB 4.07Å |
| 1077 | R | 88.1 | Confident | 75.3 | Confident | 5 Ų | 5 | 53.1 Ų | 53.1 | 2% | 0.019 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 125.8 | -177.3 | -57.2 | 169.7 | 178.7 | -127.8 | 1.7 | 111.8 | I1080 E1137 L1214 C1215 R1217 E1456 | R1077-I1080 HydrophobicContact CB-CD1 3.78Å; R1077-I1080 HydrophobicContact CB-CG1 3.75Å; R1077-E1137 HydrophobicContact CB-CG 4.06Å; R1077-E1137 WeakPolarHBondContact CG-OE1 3.28Å; R1077-E1137 PolarHBondContact N-OE1 3.34Å; R1077-L1214 PolarHBondContact NH1-O 3.11Å; R1077-C1215 PolarHBondContact NH2-O 2.7Å; R1077-R1217 VanDerWaalsContact NE-CD 3.33Å; R1077-E1456 IonicContact CZ-OE1 3.43Å; R1077-E1456 IonicContact NE-OE1 2.73Å; R1077-E1456 IonicContact NH2-OE1 3.23Å; R1077-E1456 PolarHBondContact NH2-OE1 3.43Å |
| 1078 | T | 83.5 | Confident | 73.4 | Confident | 66 Ų | 66 | 54.8 Ų | 54.8 | 41% | 0.405 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -99.7 | -5.2 | 168.5 | 54.2 | 0 | 0 | 0 | 0 | 113.1 | P1076 | P1076-T1078 PolarHBondContact O-N 2.84Š|
| 1079 | D | 82.3 | Confident | 71.5 | Confident | 35 Ų | 35 | 59.4 Ų | 59.4 | 19% | 0.187 | 35% | 0.347 | C | S | . | . | trans | -94.5 | 0.2 | -173.1 | 70.4 | -70.2 | 0 | 0 | 0 | 115 | G1081 V1082 Y1083 R1217 | D1079-G1081 PolarHBondContact O-N 2.94Å; D1079-G1081 VanDerWaalsContact O-N 3.14Å; D1079-V1082 PolarHBondContact O-N 3.32Å; D1079-V1082 VanDerWaalsContact O-N 3.13Å; D1079-Y1083 WeakPolarHBondContact OD2-CE1 3.48Å; D1079-Y1083 PolarHBondContact OD2-OH 3.42Å; D1079-R1217 IonicContact OD1-NE 2.66Å | ||
| 1080 | I | 84.9 | Confident | 69.4 | Low | 15 Ų | 15 | 67.5 Ų | 67.5 | 8% | 0.077 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 118 | -171.7 | -63.7 | 166.3 | 0 | 0 | 0 | 110.8 | R1077 V1082 E1137 A1140 M1141 L1144 L1454 | R1077-I1080 HydrophobicContact CB-CD1 3.78Å; R1077-I1080 HydrophobicContact CB-CG1 3.75Å; I1080-V1082 VanDerWaalsContact C-N 3.35Å; I1080-E1137 HydrophobicContact CD1-CB 4.38Å; I1080-E1137 HydrophobicContact CD1-CG 3.54Å; I1080-E1137 VanDerWaalsContact CD1-O 3.28Å; I1080-E1137 WeakPolarHBondContact CD1-O 3.15Å; I1080-A1140 HydrophobicContact CB-CB 3.85Å; I1080-A1140 HydrophobicContact CD1-CB 4.23Å; I1080-A1140 HydrophobicContact CG2-CB 3.91Å; I1080-A1140 WeakPolarHBondContact CG2-O 3.46Å; I1080-M1141 HydrophobicContact CD1-CB 4.3Å; I1080-M1141 HydrophobicContact CD1-CE 3.87Å; I1080-M1141 HydrophobicContact CG1-CE 3.95Å; I1080-M1141 HydrophobicContact CG2-CE 3.88Å; I1080-M1141 HydrophobicContact CG2-SD 4.46Å; I1080-L1144 HydrophobicContact CG2-CB 3.96Å; I1080-L1144 HydrophobicContact CG2-CD2 3.67Å; I1080-L1144 HydrophobicContact CG2-CG 4.45Å; I1080-L1454 HydrophobicContact CD1-CD2 4.29Å |
| 1081 | G | 74.6 | Confident | 67.1 | Low | 40 Ų | 40 | 74.5 Ų | 74.5 | 41% | 0.412 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | -10.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115 | D1079 Y1083 | D1079-G1081 PolarHBondContact O-N 2.94Å; D1079-G1081 VanDerWaalsContact O-N 3.14Å; G1081-Y1083 PolarHBondContact O-N 3.03Å |
| 1082 | V | 69.3 | Low | 64.8 | Low | 78 Ų | 78 | 80.9 Ų | 80.9 | 47% | 0.473 | 43% | 0.427 | S | S | . | . | trans | -80.1 | 24.7 | -175.1 | -159.2 | 0 | 0 | 0 | 0 | 112.6 | D1079 I1080 G1084 | D1079-V1082 PolarHBondContact O-N 3.32Å; D1079-V1082 VanDerWaalsContact O-N 3.13Å; I1080-V1082 VanDerWaalsContact C-N 3.35Å; V1082-G1084 PolarHBondContact O-N 3.3Å | ||
| 1083 | Y | 61.2 | Low | 63.1 | Low | 65 Ų | 65 | 79.8 Ų | 79.8 | 26% | 0.255 | 43% | 0.426 | S | S | . | . | trans | -84.1 | 98.3 | -175.2 | -50.1 | -55.7 | 0 | 0 | 0 | 110.6 | D1079 G1081 L1144 R1167 L1214 | D1079-Y1083 WeakPolarHBondContact OD2-CE1 3.48Å; D1079-Y1083 PolarHBondContact OD2-OH 3.42Å; G1081-Y1083 PolarHBondContact O-N 3.03Å; Y1083-L1144 HydrophobicContact CE2-CD2 4.44Å; Y1083-R1167 PolarHBondContact O-NH2 3.09Å; Y1083-L1214 HydrophobicContact CD1-CD1 4.21Å; Y1083-L1214 HydrophobicContact CD1-CD2 4.09Å; Y1083-L1214 HydrophobicContact CD2-CD1 3.84Å; Y1083-L1214 HydrophobicContact CE1-CB 4.43Å; Y1083-L1214 HydrophobicContact CE1-CD2 4.19Å; Y1083-L1214 HydrophobicContact CE2-CB 4.26Å; Y1083-L1214 HydrophobicContact CE2-CD1 4.2Å; Y1083-L1214 HydrophobicContact CG-CD1 3.86Å | ||
| 1084 | G | 46.9 | Very low | 61 | Low | 61 Ų | 61 | 85.5 Ų | 85.5 | 63% | 0.629 | 45% | 0.45 | S | S | * | . | trans | -157.5 | 134.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1082 | V1082-G1084 PolarHBondContact O-N 3.3Š| ||
| 1085 | S | 38.4 | Very low | 58.8 | Low | 128 Ų | 128 | 90.7 Ų | 90.7 | 90% | 0.895 | 48% | 0.475 | S | S | * | . | trans | -73 | 153.1 | -175 | -162.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1086 | G | 33.7 | Very low | 57 | Low | 62 Ų | 62 | 94.6 Ų | 94.6 | 64% | 0.639 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -74 | 128.4 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1087 | K | 38.8 | Very low | 55.2 | Low | 198 Ų | 198 | 97.2 Ų | 97.2 | 86% | 0.861 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -171.3 | -42.9 | 137.6 | -102.8 | 164 | -174.7 | -175.7 | 0 | 111.1 | R1089 | K1087-R1089 PolarHBondContact O-N 2.97Š|
| 1088 | N | 42 | Very low | 53.4 | Low | 144 Ų | 144 | 102.7 Ų | 102.7 | 77% | 0.77 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -10.3 | -176.8 | -71.6 | -4.6 | 0 | 0 | 0 | 115.8 | R1090 K1091 | N1088-R1090 VanDerWaalsContact C-N 3.29Å; N1088-R1090 PolarHBondContact O-N 3.21Å; N1088-K1091 PolarHBondContact O-N 2.89Å |
| 1089 | R | 42.3 | Very low | 51.7 | Low | 148 Ų | 148 | 108.1 Ų | 108.1 | 56% | 0.558 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -60.1 | -32.6 | -171.9 | -164 | 175.3 | 179.5 | -160.4 | -4 | 113.6 | K1087 K1091 V1093 | K1087-R1089 PolarHBondContact O-N 2.97Å; R1089-K1091 PolarHBondContact O-N 2.87Å; R1089-V1093 WeakPolarHBondContact O-CB 3.34Å; R1089-V1093 VanDerWaalsContact O-CG2 3.23Å; R1089-V1093 WeakPolarHBondContact O-CG2 3.29Å |
| 1090 | R | 44 | Very low | 50 | Low | 232 Ų | 232 | 111.9 Ų | 111.9 | 88% | 0.875 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -68.2 | -30.7 | 179.9 | -90.9 | -176 | 170.5 | 170.7 | -2.7 | 114.6 | N1088 K1094 | N1088-R1090 VanDerWaalsContact C-N 3.29Å; N1088-R1090 PolarHBondContact O-N 3.21Å; R1090-K1094 PolarHBondContact O-N 2.85Å |
| 1091 | K | 41.8 | Very low | 47.9 | Very low | 158 Ų | 158 | 119.2 Ų | 119.2 | 69% | 0.687 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -82.3 | -47.6 | -171.6 | -159.3 | 173.7 | -176.1 | -178.4 | 0 | 112.7 | N1088 R1089 V1093 K1094 E1095 | N1088-K1091 PolarHBondContact O-N 2.89Å; R1089-K1091 PolarHBondContact O-N 2.87Å; K1091-V1093 VanDerWaalsContact C-N 3.34Å; K1091-V1093 PolarHBondContact O-N 2.9Å; K1091-K1094 WeakPolarHBondContact O-CB 3.32Å; K1091-K1094 PolarHBondContact O-N 3.07Å; K1091-K1094 VanDerWaalsContact O-N 3.15Å; K1091-E1095 PolarHBondContact O-N 3.05Å |
| 1092 | K | 42.6 | Very low | 46.3 | Very low | 158 Ų | 158 | 126.5 Ų | 126.5 | 69% | 0.687 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -72.7 | -25.3 | -178.1 | -153.3 | 173.6 | -173.1 | -178.8 | 0 | 113.4 | I1096 | K1092-I1096 WeakPolarHBondContact O-CG1 3.26Å |
| 1093 | V | 51.3 | Low | 44.7 | Very low | 54 Ų | 54 | 130.5 Ų | 130.5 | 33% | 0.327 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -68.6 | -40.3 | 168.9 | 169.7 | 0 | 0 | 0 | 0 | 110.6 | R1089 K1091 I1096 I1097 P1109 | R1089-V1093 WeakPolarHBondContact O-CB 3.34Å; R1089-V1093 VanDerWaalsContact O-CG2 3.23Å; R1089-V1093 WeakPolarHBondContact O-CG2 3.29Å; K1091-V1093 VanDerWaalsContact C-N 3.34Å; K1091-V1093 PolarHBondContact O-N 2.9Å; V1093-I1096 PolarHBondContact O-N 2.91Å; V1093-I1097 HydrophobicContact CG1-CD1 3.6Å; V1093-I1097 HydrophobicContact CG1-CG1 4.38Å; V1093-I1097 WeakPolarHBondContact O-CG1 3.09Å; V1093-I1097 PolarHBondContact O-N 2.96Å; V1093-I1097 VanDerWaalsContact O-N 3.09Å; V1093-P1109 HydrophobicContact CG1-CG 4.36Å |
| 1094 | K | 46.6 | Very low | 43.1 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 53% | 0.526 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -64.7 | -41 | 179.1 | -162.1 | 174.1 | -168.9 | -96.8 | 0 | 112.9 | R1090 K1091 I1096 I1097 E1098 | R1090-K1094 PolarHBondContact O-N 2.85Å; K1091-K1094 WeakPolarHBondContact O-CB 3.32Å; K1091-K1094 PolarHBondContact O-N 3.07Å; K1091-K1094 VanDerWaalsContact O-N 3.15Å; K1094-I1096 PolarHBondContact O-N 2.84Å; K1094-I1097 PolarHBondContact O-N 3.2Å; K1094-E1098 VanDerWaalsContact CE-OE1 3.32Å; K1094-E1098 WeakPolarHBondContact CE-OE1 3.47Å; K1094-E1098 HydrophobicContact CG-CG 4.35Å; K1094-E1098 IonicContact NZ-OE1 2.74Å; K1094-E1098 PolarHBondContact NZ-OE1 3.04Å; K1094-E1098 WeakPolarHBondContact O-CB 3.45Å; K1094-E1098 WeakPolarHBondContact O-CG 3.46Å; K1094-E1098 PolarHBondContact O-N 3.47Å |
| 1095 | E | 44.4 | Very low | 42.5 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 53% | 0.533 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -66.9 | -20.2 | 178.4 | -70.8 | 176.1 | 137.7 | 0 | 0 | 114.3 | K1091 | K1091-E1095 PolarHBondContact O-N 3.05Å |
| 1096 | I | 51.3 | Low | 42.1 | Very low | 92 Ų | 92 | 140.2 Ų | 140.2 | 47% | 0.472 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -84.6 | -48.8 | 173.2 | -64.4 | 169.7 | 0 | 0 | 0 | 109.3 | K1092 V1093 K1094 E1098 K1099 E1100 | K1092-I1096 WeakPolarHBondContact O-CG1 3.26Å; V1093-I1096 PolarHBondContact O-N 2.91Å; K1094-I1096 PolarHBondContact O-N 2.84Å; I1096-E1098 PolarHBondContact O-N 3.44Å; I1096-K1099 PolarHBondContact O-N 2.89Å; I1096-E1100 VanDerWaalsContact CG2-OE2 3.3Å; I1096-E1100 WeakPolarHBondContact CG2-OE2 3.46Å; I1096-E1100 PolarHBondContact O-N 2.69Å |
| 1097 | I | 51.6 | Low | 42.1 | Very low | 68 Ų | 68 | 144.2 Ų | 144.2 | 35% | 0.349 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -57.2 | -33.1 | 175.3 | -67.9 | 172.3 | 0 | 0 | 0 | 112.2 | V1093 K1094 K1099 K1101 | V1093-I1097 HydrophobicContact CG1-CD1 3.6Å; V1093-I1097 HydrophobicContact CG1-CG1 4.38Å; V1093-I1097 WeakPolarHBondContact O-CG1 3.09Å; V1093-I1097 PolarHBondContact O-N 2.96Å; V1093-I1097 VanDerWaalsContact O-N 3.09Å; K1094-I1097 PolarHBondContact O-N 3.2Å; I1097-K1099 VanDerWaalsContact C-N 3.27Å; I1097-K1099 PolarHBondContact O-N 2.94Å; I1097-K1101 HydrophobicContact CG2-CD 4.08Å; I1097-K1101 VanDerWaalsContact O-CG 3.28Å; I1097-K1101 WeakPolarHBondContact O-CG 3.4Å |
| 1098 | E | 50 | Low | 41.8 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 56% | 0.556 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -77.6 | -3 | 177 | -75 | 175.8 | 174.7 | 0 | 0 | 114.4 | K1094 I1096 | K1094-E1098 VanDerWaalsContact CE-OE1 3.32Å; K1094-E1098 WeakPolarHBondContact CE-OE1 3.47Å; K1094-E1098 HydrophobicContact CG-CG 4.35Å; K1094-E1098 IonicContact NZ-OE1 2.74Å; K1094-E1098 PolarHBondContact NZ-OE1 3.04Å; K1094-E1098 WeakPolarHBondContact O-CB 3.45Å; K1094-E1098 WeakPolarHBondContact O-CG 3.46Å; K1094-E1098 PolarHBondContact O-N 3.47Å; I1096-E1098 PolarHBondContact O-N 3.44Å |
| 1099 | K | 47.1 | Very low | 41.3 | Very low | 180 Ų | 180 | 134.6 Ų | 134.6 | 78% | 0.783 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -116.4 | -23.7 | 178.1 | -87.7 | -173.3 | 171.5 | -178 | 0 | 115.7 | I1096 I1097 | I1096-K1099 PolarHBondContact O-N 2.89Å; I1097-K1099 VanDerWaalsContact C-N 3.27Å; I1097-K1099 PolarHBondContact O-N 2.94Å |
| 1100 | E | 46.5 | Very low | 40.8 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 54% | 0.537 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -94.6 | -13.3 | -178.9 | -65.6 | -179.7 | 137.1 | 0 | 0 | 112.5 | I1096 E1102 K1103 | I1096-E1100 VanDerWaalsContact CG2-OE2 3.3Å; I1096-E1100 WeakPolarHBondContact CG2-OE2 3.46Å; I1096-E1100 PolarHBondContact O-N 2.69Å; E1100-E1102 PolarHBondContact O-N 2.73Å; E1100-K1103 PolarHBondContact O-N 2.88Å; E1100-K1103 VanDerWaalsContact O-N 3.1Å |
| 1101 | K | 41.6 | Very low | 40.4 | Very low | 168 Ų | 168 | 124.3 Ų | 124.3 | 73% | 0.73 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | 12.8 | 177.2 | -88.8 | -173 | 171.3 | -167.3 | 0 | 117.9 | I1097 | I1097-K1101 HydrophobicContact CG2-CD 4.08Å; I1097-K1101 VanDerWaalsContact O-CG 3.28Å; I1097-K1101 WeakPolarHBondContact O-CG 3.4Å |
| 1102 | E | 41.8 | Very low | 40.3 | Very low | 193 Ų | 193 | 120.4 Ų | 120.4 | 90% | 0.902 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 0.7 | 166.1 | -93.5 | -169.9 | 155.1 | 0 | 0 | 113.3 | E1100 | E1100-E1102 PolarHBondContact O-N 2.73Š|
| 1103 | K | 34.3 | Very low | 40.4 | Very low | 163 Ų | 163 | 115.3 Ų | 115.3 | 71% | 0.709 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -142.1 | 122.4 | 165.3 | -64.2 | -177.4 | -177.9 | 175.6 | 0 | 109.2 | E1100 L1105 | E1100-K1103 PolarHBondContact O-N 2.88Å; E1100-K1103 VanDerWaalsContact O-N 3.1Å; K1103-L1105 PolarHBondContact O-N 2.86Å |
| 1104 | D | 28.5 | Very low | 40.1 | Very low | 166 Ų | 166 | 119.7 Ų | 119.7 | 89% | 0.888 | 59% | 0.59 | S | S | * | * | trans | -63.4 | 97.7 | 178.1 | -64.1 | -50 | 0 | 0 | 0 | 110.7 | ||||
| 1105 | L | 33.7 | Very low | 39.9 | Very low | 144 Ų | 144 | 120.7 Ų | 120.7 | 75% | 0.754 | 60% | 0.597 | S | S | * | * | trans | -147.4 | 120.6 | 176.5 | -75.9 | 175.8 | 0 | 0 | 0 | 109 | K1103 | K1103-L1105 PolarHBondContact O-N 2.86Š| ||
| 1106 | D | 31.2 | Very low | 39.7 | Very low | 147 Ų | 147 | 117 Ų | 117 | 79% | 0.786 | 59% | 0.589 | S | S | * | * | trans | -81.6 | 133.3 | -165.4 | -48.8 | -76.6 | 0 | 0 | 0 | 114 | ||||
| 1107 | L | 34 | Very low | 39.6 | Very low | 146 Ų | 146 | 115.5 Ų | 115.5 | 76% | 0.764 | 58% | 0.582 | S | S | * | * | trans | -139.2 | 79.2 | 163.1 | -77.8 | -178.8 | 0 | 0 | 0 | 110.2 | ||||
| 1108 | E | 31.2 | Very low | 39.4 | Very low | 73 Ų | 73 | 119.3 Ų | 119.3 | 34% | 0.341 | 60% | 0.599 | S | S | . | * | trans | -80.8 | 128.2 | -172.6 | -151.7 | -70.8 | 140.2 | 0 | 0 | 112.7 | L1110 S1111 D1112 | E1108-L1110 VanDerWaalsContact C-N 3.31Å; E1108-L1110 PolarHBondContact O-N 2.84Å; E1108-L1110 PolarHBondContact OE2-N 2.55Å; E1108-S1111 VanDerWaalsContact OE1-CB 3.29Å; E1108-S1111 WeakPolarHBondContact OE1-CB 3.13Å; E1108-S1111 PolarHBondContact OE1-OG 3.24Å; E1108-S1111 WeakPolarHBondContact OE2-CA 3.36Å; E1108-S1111 PolarHBondContact OE2-N 2.75Å; E1108-S1111 PolarHBondContact OE2-OG 2.91Å; E1108-D1112 HydrophobicContact CB-CB 3.95Å; E1108-D1112 VanDerWaalsContact CB-OD2 3.27Å; E1108-D1112 WeakPolarHBondContact CB-OD2 3.18Å; E1108-D1112 HydrophobicContact CG-CB 3.99Å; E1108-D1112 PolarHBondContact OE2-N 2.86Å | ||
| 1109 | P | 31.2 | Very low | 39.4 | Very low | 67 Ų | 67 | 122 Ų | 122 | 44% | 0.435 | 61% | 0.611 | S | S | . | * | trans | -76 | 51.9 | -175.7 | -21.4 | 36.7 | 0 | 0 | 0 | 118.8 | V1093 | V1093-P1109 HydrophobicContact CG1-CG 4.36Š| ||
| 1110 | L | 31.8 | Very low | 39.5 | Very low | 99 Ų | 99 | 116 Ų | 116 | 52% | 0.518 | 59% | 0.59 | S | S | . | * | S | Bend | trans | 80.8 | 16.5 | 168.8 | -51.9 | 161.7 | 0 | 0 | 0 | 117 | E1108 | E1108-L1110 VanDerWaalsContact C-N 3.31Å; E1108-L1110 PolarHBondContact O-N 2.84Å; E1108-L1110 PolarHBondContact OE2-N 2.55Å |
| 1111 | S | 35.3 | Very low | 40.1 | Very low | 65 Ų | 65 | 118.2 Ų | 118.2 | 46% | 0.455 | 59% | 0.593 | S | S | . | * | trans | -86.5 | -36.4 | 168.5 | -23.2 | 0 | 0 | 0 | 0 | 111.3 | E1108 L1113 E1114 | E1108-S1111 VanDerWaalsContact OE1-CB 3.29Å; E1108-S1111 WeakPolarHBondContact OE1-CB 3.13Å; E1108-S1111 PolarHBondContact OE1-OG 3.24Å; E1108-S1111 WeakPolarHBondContact OE2-CA 3.36Å; E1108-S1111 PolarHBondContact OE2-N 2.75Å; E1108-S1111 PolarHBondContact OE2-OG 2.91Å; S1111-L1113 PolarHBondContact O-N 2.87Å; S1111-E1114 PolarHBondContact O-N 2.99Å | ||
| 1112 | D | 40.7 | Very low | 41.4 | Very low | 76 Ų | 76 | 114.3 Ų | 114.3 | 41% | 0.406 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -56.8 | -3.2 | -169.3 | -117.2 | 9.6 | 0 | 0 | 0 | 117.5 | E1108 E1114 | E1108-D1112 HydrophobicContact CB-CB 3.95Å; E1108-D1112 VanDerWaalsContact CB-OD2 3.27Å; E1108-D1112 WeakPolarHBondContact CB-OD2 3.18Å; E1108-D1112 HydrophobicContact CG-CB 3.99Å; E1108-D1112 PolarHBondContact OE2-N 2.86Å; D1112-E1114 VanDerWaalsContact C-N 3.29Å |
| 1113 | L | 43.6 | Very low | 42.8 | Very low | 51 Ų | 51 | 106.7 Ų | 106.7 | 27% | 0.267 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -78.7 | -11.8 | 178.8 | -113 | 171.4 | 0 | 0 | 0 | 113.9 | S1111 | S1111-L1113 PolarHBondContact O-N 2.87Å |
| 1114 | E | 45.8 | Very low | 45 | Very low | 147 Ų | 147 | 102 Ų | 102 | 69% | 0.687 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -114.1 | -49.9 | 175.2 | -69 | 177.7 | 162.6 | 0 | 0 | 111 | S1111 D1112 G1116 L1117 | S1111-E1114 PolarHBondContact O-N 2.99Å; D1112-E1114 VanDerWaalsContact C-N 3.29Å; E1114-G1116 PolarHBondContact O-N 3.48Å; E1114-L1117 PolarHBondContact O-N 3.03Å |
| 1115 | E | 42 | Very low | 47.4 | Very low | 141 Ų | 141 | 99 Ų | 99 | 66% | 0.659 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.3 | -40.9 | -178.2 | -64.3 | -172.9 | 145.3 | 0 | 0 | 113.3 | L1117 E1118 | E1115-L1117 PolarHBondContact O-N 2.8Å; E1115-L1117 VanDerWaalsContact O-N 3.11Å; E1115-E1118 PolarHBondContact O-N 3.04Å |
| 1116 | G | 41 | Very low | 49.3 | Very low | 37 Ų | 37 | 92.8 Ų | 92.8 | 38% | 0.381 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.5 | -12.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | E1114 T1120 | E1114-G1116 PolarHBondContact O-N 3.48Å; G1116-T1120 PolarHBondContact O-OG1 3.05Å |
| 1117 | L | 48.8 | Very low | 51.6 | Low | 60 Ų | 60 | 87.8 Ų | 87.8 | 31% | 0.314 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -93.6 | -16 | 178.1 | -83.2 | 172.8 | 0 | 0 | 0 | 114.1 | E1114 E1115 E1119 V1126 | E1114-L1117 PolarHBondContact O-N 3.03Å; E1115-L1117 PolarHBondContact O-N 2.8Å; E1115-L1117 VanDerWaalsContact O-N 3.11Å; L1117-E1119 VanDerWaalsContact C-N 3.3Å; L1117-E1119 PolarHBondContact O-N 3.06Å; L1117-V1126 HydrophobicContact CD2-CG2 3.95Å |
| 1118 | E | 48 | Very low | 54 | Low | 149 Ų | 149 | 83.7 Ų | 83.7 | 70% | 0.696 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -69.1 | -29.4 | -177.9 | -64.9 | -148.1 | 132.1 | 0 | 0 | 112.9 | E1115 | E1115-E1118 PolarHBondContact O-N 3.04Å |
| 1119 | E | 49.1 | Very low | 56.4 | Low | 176 Ų | 176 | 83 Ų | 83 | 82% | 0.822 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -95.5 | -32.1 | 179.9 | -58.3 | -155.1 | 137.3 | 0 | 0 | 114.2 | L1117 R1121 | L1117-E1119 VanDerWaalsContact C-N 3.3Å; L1117-E1119 PolarHBondContact O-N 3.06Å; E1119-R1121 PolarHBondContact O-N 3.08Å; E1119-R1121 VanDerWaalsContact O-N 3.09Å |
| 1120 | T | 49.6 | Very low | 59 | Low | 54 Ų | 54 | 80.8 Ų | 80.8 | 33% | 0.331 | 44% | 0.438 | S | S | . | . | trans | -88.7 | 72 | -170.3 | 51.6 | 0 | 0 | 0 | 0 | 114.2 | G1116 D1122 M1125 | G1116-T1120 PolarHBondContact O-OG1 3.05Å; T1120-D1122 PolarHBondContact O-N 2.66Å; T1120-M1125 HydrophobicContact CG2-SD 3.99Å | ||
| 1121 | R | 58.7 | Low | 61.5 | Low | 161 Ų | 161 | 81.1 Ų | 81.1 | 61% | 0.608 | 44% | 0.435 | S | S | * | . | trans | -75.3 | 17 | -168.7 | -60.1 | -177.6 | -177.4 | -177.6 | 3.1 | 117.6 | E1119 R1239 | E1119-R1121 PolarHBondContact O-N 3.08Å; E1119-R1121 VanDerWaalsContact O-N 3.09Å; R1121-R1239 PolarHBondContact O-NH2 3.34Å | ||
| 1122 | D | 69.4 | Low | 63.9 | Low | 85 Ų | 85 | 83 Ų | 83 | 46% | 0.455 | 44% | 0.437 | S | S | . | . | trans | -104.7 | 132.1 | -180 | -179 | 16.9 | 0 | 0 | 0 | 112.8 | T1120 A1124 M1125 | T1120-D1122 PolarHBondContact O-N 2.66Å; D1122-A1124 PolarHBondContact O-N 3.01Å; D1122-A1124 PolarHBondContact OD1-N 2.86Å; D1122-A1124 VanDerWaalsContact OD1-N 3.1Å; D1122-M1125 HydrophobicContact CB-CB 4.39Å | ||
| 1123 | A | 72.2 | Confident | 66.1 | Low | 33 Ų | 33 | 82.6 Ų | 82.6 | 27% | 0.273 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.1 | -38.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | M1125 V1126 V1127 | A1123-M1125 VanDerWaalsContact C-N 3.31Å; A1123-M1125 PolarHBondContact O-N 3.22Å; A1123-V1126 PolarHBondContact O-N 2.95Å; A1123-V1127 PolarHBondContact O-N 2.93Å |
| 1124 | A | 79.2 | Confident | 68.3 | Low | 66 Ų | 66 | 82.4 Ų | 82.4 | 55% | 0.545 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.6 | -37.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D1122 V1127 A1128 | D1122-A1124 PolarHBondContact O-N 3.01Å; D1122-A1124 PolarHBondContact OD1-N 2.86Å; D1122-A1124 VanDerWaalsContact OD1-N 3.1Å; A1124-V1127 PolarHBondContact O-N 3Å; A1124-A1128 PolarHBondContact O-N 3.27Å; A1124-A1128 VanDerWaalsContact O-N 3.13Å |
| 1125 | M | 79.2 | Confident | 70.3 | Confident | 103 Ų | 103 | 80.2 Ų | 80.2 | 51% | 0.507 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66 | -40.9 | 177.6 | -159.6 | 171.8 | -68 | 0 | 0 | 111.9 | T1120 D1122 A1123 A1128 V1129 | T1120-M1125 HydrophobicContact CG2-SD 3.99Å; D1122-M1125 HydrophobicContact CB-CB 4.39Å; A1123-M1125 VanDerWaalsContact C-N 3.31Å; A1123-M1125 PolarHBondContact O-N 3.22Å; M1125-A1128 PolarHBondContact O-N 3.41Å; M1125-V1129 WeakPolarHBondContact O-CG2 3.42Å; M1125-V1129 PolarHBondContact O-N 3.17Å |
| 1126 | V | 74.2 | Confident | 72.5 | Confident | 13 Ų | 13 | 79 Ų | 79 | 8% | 0.079 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59.9 | -48.3 | 174.2 | 178.3 | 0 | 0 | 0 | 0 | 111.1 | L1117 A1123 A1128 V1129 F1130 E1244 | L1117-V1126 HydrophobicContact CD2-CG2 3.95Å; A1123-V1126 PolarHBondContact O-N 2.95Å; V1126-A1128 VanDerWaalsContact C-N 3.3Å; V1126-A1128 PolarHBondContact O-N 3.4Å; V1126-V1129 PolarHBondContact O-N 2.94Å; V1126-F1130 HydrophobicContact CG1-CD2 4.1Å; V1126-F1130 HydrophobicContact CG1-CE2 3.97Å; V1126-F1130 WeakPolarHBondContact O-CD2 3.28Å; V1126-F1130 PolarHBondContact O-N 3.08Å; V1126-F1130 VanDerWaalsContact O-N 3.16Å; V1126-E1244 HydrophobicContact CG1-CB 4.15Å |
| 1127 | V | 79.6 | Confident | 75 | Confident | 42 Ų | 42 | 77.5 Ų | 77.5 | 26% | 0.255 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.6 | -35.8 | -179.6 | 175.5 | 0 | 0 | 0 | 0 | 112.1 | A1123 A1124 F1130 K1131 | A1123-V1127 PolarHBondContact O-N 2.93Å; A1124-V1127 PolarHBondContact O-N 3Å; V1127-F1130 PolarHBondContact O-N 2.95Å; V1127-K1131 HydrophobicContact CG1-CD 4.47Å; V1127-K1131 PolarHBondContact O-N 3.1Å |
| 1128 | A | 83 | Confident | 77 | Confident | 60 Ų | 60 | 75.7 Ų | 75.7 | 50% | 0.496 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.8 | -47.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1124 M1125 V1126 F1130 K1131 E1132 | A1124-A1128 PolarHBondContact O-N 3.27Å; A1124-A1128 VanDerWaalsContact O-N 3.13Å; M1125-A1128 PolarHBondContact O-N 3.41Å; V1126-A1128 VanDerWaalsContact C-N 3.3Å; V1126-A1128 PolarHBondContact O-N 3.4Å; A1128-F1130 VanDerWaalsContact C-N 3.27Å; A1128-F1130 PolarHBondContact O-N 3.31Å; A1128-K1131 PolarHBondContact O-N 3.25Å; A1128-K1131 VanDerWaalsContact O-N 3.12Å; A1128-E1132 PolarHBondContact O-N 3.47Å; A1128-E1132 VanDerWaalsContact O-N 3.13Å |
| 1129 | V | 82.3 | Confident | 79 | Confident | 57 Ų | 57 | 73.3 Ų | 73.3 | 35% | 0.345 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.4 | -34.1 | 178.2 | 173 | 0 | 0 | 0 | 0 | 111.9 | M1125 V1126 R1133 | M1125-V1129 WeakPolarHBondContact O-CG2 3.42Å; M1125-V1129 PolarHBondContact O-N 3.17Å; V1126-V1129 PolarHBondContact O-N 2.94Å; V1129-R1133 VanDerWaalsContact CG1-NE 3.27Å; V1129-R1133 WeakPolarHBondContact O-CB 3.37Å; V1129-R1133 VanDerWaalsContact O-CG 3.24Å; V1129-R1133 WeakPolarHBondContact O-CG 3.42Å; V1129-R1133 PolarHBondContact O-N 3.26Å; V1129-R1133 VanDerWaalsContact O-N 3.14Å |
| 1130 | F | 85.7 | Confident | 81 | Confident | 22 Ų | 22 | 66.5 Ų | 66.5 | 10% | 0.096 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65 | -41.5 | 174.4 | -91.6 | -109.5 | 0 | 0 | 0 | 112.8 | L1071 S1075 V1126 V1127 A1128 R1133 E1134 A1245 C1248 | L1071-F1130 HydrophobicContact CD1-CZ 4.26Å; S1075-F1130 VanDerWaalsContact OG-CE1 3.25Å; S1075-F1130 WeakPolarHBondContact OG-CE1 3.34Å; S1075-F1130 WeakPolarHBondContact OG-CZ 3.36Å; V1126-F1130 HydrophobicContact CG1-CD2 4.1Å; V1126-F1130 HydrophobicContact CG1-CE2 3.97Å; V1126-F1130 WeakPolarHBondContact O-CD2 3.28Å; V1126-F1130 PolarHBondContact O-N 3.08Å; V1126-F1130 VanDerWaalsContact O-N 3.16Å; V1127-F1130 PolarHBondContact O-N 2.95Å; A1128-F1130 VanDerWaalsContact C-N 3.27Å; A1128-F1130 PolarHBondContact O-N 3.31Å; F1130-R1133 PolarHBondContact O-N 2.87Å; F1130-E1134 PolarHBondContact O-N 2.91Å; F1130-E1134 VanDerWaalsContact O-N 3.08Å; F1130-A1245 HydrophobicContact CE1-CB 3.49Å; F1130-A1245 VanDerWaalsContact CE1-CB 3.49Å; F1130-A1245 HydrophobicContact CZ-CB 3.41Å; F1130-A1245 VanDerWaalsContact CZ-CB 3.41Å; F1130-C1248 HydrophobicContact CB-CB 4.09Å; F1130-C1248 HydrophobicContact CD1-CB 3.78Å; F1130-C1248 HydrophobicContact CG-CB 4.16Å |
| 1131 | K | 84.1 | Confident | 83.1 | Confident | 105 Ų | 105 | 64 Ų | 64 | 46% | 0.457 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -72 | -33.3 | -178.6 | -71.2 | 178.9 | 177.2 | 176.3 | 0 | 112.4 | V1127 A1128 E1251 | V1127-K1131 HydrophobicContact CG1-CD 4.47Å; V1127-K1131 PolarHBondContact O-N 3.1Å; A1128-K1131 PolarHBondContact O-N 3.25Å; A1128-K1131 VanDerWaalsContact O-N 3.12Å; K1131-E1251 WeakPolarHBondContact CE-OE2 3.32Å; K1131-E1251 IonicContact NZ-OE2 3.76Å; K1131-E1251 PolarHBondContact NZ-OE2 2.85Å |
| 1132 | E | 86.3 | Confident | 84.7 | Confident | 106 Ų | 106 | 60.5 Ų | 60.5 | 50% | 0.495 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.8 | -41.9 | 170.7 | -163.7 | -157.5 | 139 | 0 | 0 | 112.2 | A1128 E1134 Q1135 K1136 | A1128-E1132 PolarHBondContact O-N 3.47Å; A1128-E1132 VanDerWaalsContact O-N 3.13Å; E1132-E1134 VanDerWaalsContact C-N 3.32Å; E1132-E1134 PolarHBondContact O-N 3.34Å; E1132-Q1135 PolarHBondContact O-N 2.81Å; E1132-K1136 PolarHBondContact O-N 3.38Å; E1132-K1136 VanDerWaalsContact OE1-CE 3.31Å; E1132-K1136 WeakPolarHBondContact OE1-CE 3.36Å; E1132-K1136 IonicContact OE1-NZ 3.24Å; E1132-K1136 PolarHBondContact OE1-NZ 2.79Å |
| 1133 | R | 86.9 | Confident | 85.7 | Confident | 67 Ų | 67 | 60.2 Ų | 60.2 | 25% | 0.253 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.5 | -27.1 | 178.8 | -71 | 173.9 | -174.1 | -136.4 | 6.4 | 113.2 | P1076 V1129 F1130 E1137 | P1076-R1133 HydrophobicContact CB-CB 4.17Å; P1076-R1133 WeakPolarHBondContact CB-O 3.49Å; P1076-R1133 HydrophobicContact CG-CB 4.18Å; V1129-R1133 VanDerWaalsContact CG1-NE 3.27Å; V1129-R1133 WeakPolarHBondContact O-CB 3.37Å; V1129-R1133 VanDerWaalsContact O-CG 3.24Å; V1129-R1133 WeakPolarHBondContact O-CG 3.42Å; V1129-R1133 PolarHBondContact O-N 3.26Å; V1129-R1133 VanDerWaalsContact O-N 3.14Å; F1130-R1133 PolarHBondContact O-N 2.87Å; R1133-E1137 PolarHBondContact O-N 3.19Å; R1133-E1137 VanDerWaalsContact O-N 3.07Å |
| 1134 | E | 88.4 | Confident | 86.6 | Confident | 46 Ų | 46 | 59.9 Ų | 59.9 | 22% | 0.215 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.7 | -46.1 | 171.6 | 153 | 159.6 | -149.1 | 0 | 0 | 112.1 | P1076 F1130 E1132 E1137 I1138 R1252 | P1076-E1134 HydrophobicContact CG-CB 4.16Å; F1130-E1134 PolarHBondContact O-N 2.91Å; F1130-E1134 VanDerWaalsContact O-N 3.08Å; E1132-E1134 VanDerWaalsContact C-N 3.32Å; E1132-E1134 PolarHBondContact O-N 3.34Å; E1134-E1137 WeakPolarHBondContact O-CB 3.41Å; E1134-E1137 PolarHBondContact O-N 2.9Å; E1134-I1138 HydrophobicContact CG-CD1 4.3Å; E1134-I1138 PolarHBondContact O-N 3.1Å; E1134-R1252 WeakPolarHBondContact OE1-CD 3.41Å; E1134-R1252 WeakPolarHBondContact OE1-CG 3.42Å; E1134-R1252 IonicContact OE1-CZ 2.7Å; E1134-R1252 IonicContact OE1-NE 2.7Å; E1134-R1252 PolarHBondContact OE1-NE 2.76Å; E1134-R1252 IonicContact OE1-NH2 3.54Å; E1134-R1252 WeakPolarHBondContact OE2-CD 3.24Å; E1134-R1252 WeakPolarHBondContact OE2-CG 3.32Å; E1134-R1252 IonicContact OE2-NE 3.88Å; E1134-R1252 PolarHBondContact OE2-NE 2.69Å |
| 1135 | Q | 87.8 | Confident | 87.2 | Confident | 101 Ų | 101 | 58.1 Ų | 58.1 | 47% | 0.472 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.2 | -46 | -179.1 | -177.7 | 60 | 27.4 | 0 | 0 | 111 | E1132 E1137 I1138 E1139 | E1132-Q1135 PolarHBondContact O-N 2.81Å; Q1135-E1137 VanDerWaalsContact C-N 3.29Å; Q1135-E1137 PolarHBondContact O-N 3.11Å; Q1135-I1138 PolarHBondContact O-N 3.38Å; Q1135-I1138 VanDerWaalsContact O-N 3.17Å; Q1135-E1139 WeakPolarHBondContact CG-OE1 3.48Å; Q1135-E1139 PolarHBondContact NE2-OE1 2.86Å; Q1135-E1139 PolarHBondContact O-N 2.95Å; Q1135-E1139 VanDerWaalsContact O-N 3.15Å |
| 1136 | K | 90 | Very high | 87.6 | Confident | 117 Ų | 117 | 56.1 Ų | 56.1 | 51% | 0.509 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61 | -34 | 177.5 | -71.2 | 175.1 | 169.6 | 175.5 | 0 | 113 | E1132 A1140 | E1132-K1136 PolarHBondContact O-N 3.38Å; E1132-K1136 VanDerWaalsContact OE1-CE 3.31Å; E1132-K1136 WeakPolarHBondContact OE1-CE 3.36Å; E1132-K1136 IonicContact OE1-NZ 3.24Å; E1132-K1136 PolarHBondContact OE1-NZ 2.79Å; K1136-A1140 VanDerWaalsContact O-CB 3.3Å; K1136-A1140 WeakPolarHBondContact O-CB 3.13Å; K1136-A1140 PolarHBondContact O-N 3.23Å |
| 1137 | E | 92.8 | Very high | 88.2 | Confident | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.019 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 174.4 | -177 | -168.6 | -115.9 | 0 | 0 | 112.1 | P1076 R1077 I1080 R1133 E1134 Q1135 M1141 R1252 L1454 | P1076-E1137 WeakPolarHBondContact CA-OE1 3.26Å; P1076-E1137 HydrophobicContact CB-CB 4.07Å; R1077-E1137 HydrophobicContact CB-CG 4.06Å; R1077-E1137 WeakPolarHBondContact CG-OE1 3.28Å; R1077-E1137 PolarHBondContact N-OE1 3.34Å; I1080-E1137 HydrophobicContact CD1-CB 4.38Å; I1080-E1137 HydrophobicContact CD1-CG 3.54Å; I1080-E1137 VanDerWaalsContact CD1-O 3.28Å; I1080-E1137 WeakPolarHBondContact CD1-O 3.15Å; R1133-E1137 PolarHBondContact O-N 3.19Å; R1133-E1137 VanDerWaalsContact O-N 3.07Å; E1134-E1137 WeakPolarHBondContact O-CB 3.41Å; E1134-E1137 PolarHBondContact O-N 2.9Å; Q1135-E1137 VanDerWaalsContact C-N 3.29Å; Q1135-E1137 PolarHBondContact O-N 3.11Å; E1137-M1141 PolarHBondContact O-N 3.1Å; E1137-R1252 IonicContact OE1-NH1 2.73Å; E1137-R1252 IonicContact OE2-CZ 2.61Å; E1137-R1252 IonicContact OE2-NH1 3.56Å; E1137-R1252 PolarHBondContact OE2-NH1 3.45Å; E1137-R1252 IonicContact OE2-NH2 3.17Å; E1137-R1252 PolarHBondContact OE2-NH2 3.28Å; E1137-L1454 HydrophobicContact CG-CD1 4.23Å; E1137-L1454 HydrophobicContact CG-CD2 3.93Å |
| 1138 | I | 90.6 | Very high | 88.7 | Confident | 22 Ų | 22 | 56.7 Ų | 56.7 | 11% | 0.113 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.1 | -47.4 | -177.4 | -68.1 | 168.8 | 0 | 0 | 0 | 110.1 | E1134 Q1135 A1140 M1141 H1142 M1450 V1451 L1454 | E1134-I1138 HydrophobicContact CG-CD1 4.3Å; E1134-I1138 PolarHBondContact O-N 3.1Å; Q1135-I1138 PolarHBondContact O-N 3.38Å; Q1135-I1138 VanDerWaalsContact O-N 3.17Å; I1138-A1140 PolarHBondContact O-N 3.27Å; I1138-M1141 PolarHBondContact O-N 2.88Å; I1138-M1141 VanDerWaalsContact O-N 3.15Å; I1138-H1142 PolarHBondContact O-CD2 3.47Å; I1138-H1142 PolarHBondContact O-N 2.87Å; I1138-M1450 HydrophobicContact CG2-CE 3.96Å; I1138-V1451 HydrophobicContact CD1-CG2 4.48Å; I1138-L1454 HydrophobicContact CG1-CD1 3.95Å |
| 1139 | E | 90.9 | Very high | 88.8 | Confident | 99 Ų | 99 | 57.8 Ų | 57.8 | 46% | 0.463 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 177.7 | -69.7 | 169.8 | -174.6 | 0 | 0 | 112.6 | Q1135 M1141 H1142 S1143 | Q1135-E1139 WeakPolarHBondContact CG-OE1 3.48Å; Q1135-E1139 PolarHBondContact NE2-OE1 2.86Å; Q1135-E1139 PolarHBondContact O-N 2.95Å; Q1135-E1139 VanDerWaalsContact O-N 3.15Å; E1139-M1141 VanDerWaalsContact C-N 3.34Å; E1139-M1141 PolarHBondContact O-N 2.63Å; E1139-H1142 PolarHBondContact O-N 2.8Å; E1139-S1143 WeakPolarHBondContact O-CB 3.43Å; E1139-S1143 PolarHBondContact O-N 3.18Å; E1139-S1143 PolarHBondContact O-OG 2.93Å |
| 1140 | A | 91.2 | Very high | 88.8 | Confident | 34 Ų | 34 | 57.3 Ų | 57.3 | 28% | 0.281 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.1 | -36.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1080 K1136 I1138 S1143 L1144 | I1080-A1140 HydrophobicContact CB-CB 3.85Å; I1080-A1140 HydrophobicContact CD1-CB 4.23Å; I1080-A1140 HydrophobicContact CG2-CB 3.91Å; I1080-A1140 WeakPolarHBondContact CG2-O 3.46Å; K1136-A1140 VanDerWaalsContact O-CB 3.3Å; K1136-A1140 WeakPolarHBondContact O-CB 3.13Å; K1136-A1140 PolarHBondContact O-N 3.23Å; I1138-A1140 PolarHBondContact O-N 3.27Å; A1140-S1143 PolarHBondContact O-N 3.41Å; A1140-L1144 WeakPolarHBondContact O-CB 3.3Å; A1140-L1144 PolarHBondContact O-N 2.84Å |
| 1141 | M | 92.8 | Very high | 88.6 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -72 | -38.9 | 177.5 | -169.7 | 55.4 | 64.9 | 0 | 0 | 112.7 | I1080 E1137 I1138 E1139 S1143 L1144 R1145 L1179 C1180 M1450 L1454 | I1080-M1141 HydrophobicContact CD1-CB 4.3Å; I1080-M1141 HydrophobicContact CD1-CE 3.87Å; I1080-M1141 HydrophobicContact CG1-CE 3.95Å; I1080-M1141 HydrophobicContact CG2-CE 3.88Å; I1080-M1141 HydrophobicContact CG2-SD 4.46Å; E1137-M1141 PolarHBondContact O-N 3.1Å; I1138-M1141 PolarHBondContact O-N 2.88Å; I1138-M1141 VanDerWaalsContact O-N 3.15Å; E1139-M1141 VanDerWaalsContact C-N 3.34Å; E1139-M1141 PolarHBondContact O-N 2.63Å; M1141-S1143 VanDerWaalsContact C-N 3.33Å; M1141-L1144 PolarHBondContact O-N 2.84Å; M1141-L1144 HydrophobicContact SD-CD2 4.36Å; M1141-R1145 WeakPolarHBondContact O-CB 3.22Å; M1141-R1145 PolarHBondContact O-N 2.89Å; M1141-L1179 HydrophobicContact CE-CD1 4.02Å; M1141-L1179 HydrophobicContact CE-CD2 3.97Å; M1141-L1179 HydrophobicContact CE-CG 3.76Å; M1141-L1179 HydrophobicContact CG-CD1 3.82Å; M1141-L1179 HydrophobicContact CG-CG 4.46Å; M1141-L1179 HydrophobicContact SD-CD1 3.85Å; M1141-L1179 HydrophobicContact SD-CG 3.82Å; M1141-C1180 HydrophobicContact SD-CB 4.39Å; M1141-M1450 HydrophobicContact CB-CE 4.22Å; M1141-M1450 HydrophobicContact CB-SD 4.07Å; M1141-M1450 HydrophobicContact CG-CE 4.35Å; M1141-M1450 HydrophobicContact CG-CG 3.89Å; M1141-M1450 HydrophobicContact CG-SD 3.65Å; M1141-L1454 HydrophobicContact CB-CD1 4.16Å; M1141-L1454 HydrophobicContact CB-CD2 4.21Å; M1141-L1454 HydrophobicContact CE-CD2 3.76Å; M1141-L1454 HydrophobicContact CG-CD1 4.45Å; M1141-L1454 HydrophobicContact CG-CD2 4.16Å; M1141-L1454 HydrophobicContact CG-CG 4.48Å |
| 1142 | H | 92.3 | Very high | 87.9 | Confident | 87 Ų | 87 | 55.9 Ų | 55.9 | 40% | 0.403 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.7 | -46.5 | 170 | -76.5 | -70.7 | 0 | 0 | 0 | 111.2 | I1138 E1139 L1144 R1145 A1146 M1450 | I1138-H1142 PolarHBondContact O-CD2 3.47Å; I1138-H1142 PolarHBondContact O-N 2.87Å; E1139-H1142 PolarHBondContact O-N 2.8Å; H1142-L1144 PolarHBondContact O-N 2.94Å; H1142-R1145 PolarHBondContact O-N 3.02Å; H1142-A1146 WeakPolarHBondContact O-CB 3.3Å; H1142-A1146 PolarHBondContact O-N 2.75Å; H1142-M1450 VanDerWaalsContact NE2-CE 3.31Å; H1142-M1450 WeakPolarHBondContact NE2-CE 3.48Å |
| 1143 | S | 91 | Very high | 87.1 | Confident | 80 Ų | 80 | 56.2 Ų | 56.2 | 56% | 0.559 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -61.1 | -43.2 | 178.4 | -57.7 | 0 | 0 | 0 | 0 | 112.2 | E1139 A1140 M1141 A1146 A1147 | E1139-S1143 WeakPolarHBondContact O-CB 3.43Å; E1139-S1143 PolarHBondContact O-N 3.18Å; E1139-S1143 PolarHBondContact O-OG 2.93Å; A1140-S1143 PolarHBondContact O-N 3.41Å; M1141-S1143 VanDerWaalsContact C-N 3.33Å; S1143-A1146 PolarHBondContact O-N 3.25Å; S1143-A1147 WeakPolarHBondContact O-CB 3.34Å; S1143-A1147 PolarHBondContact O-N 2.72Å |
| 1144 | L | 90.4 | Very high | 86 | Confident | 25 Ų | 25 | 56.8 Ų | 56.8 | 13% | 0.131 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.4 | -41.4 | 176.5 | -179 | 59.6 | 0 | 0 | 0 | 112.3 | I1080 Y1083 A1140 M1141 H1142 A1147 N1148 C1180 | I1080-L1144 HydrophobicContact CG2-CB 3.96Å; I1080-L1144 HydrophobicContact CG2-CD2 3.67Å; I1080-L1144 HydrophobicContact CG2-CG 4.45Å; Y1083-L1144 HydrophobicContact CE2-CD2 4.44Å; A1140-L1144 WeakPolarHBondContact O-CB 3.3Å; A1140-L1144 PolarHBondContact O-N 2.84Å; M1141-L1144 PolarHBondContact O-N 2.84Å; M1141-L1144 HydrophobicContact SD-CD2 4.36Å; H1142-L1144 PolarHBondContact O-N 2.94Å; L1144-A1147 PolarHBondContact O-N 3.16Å; L1144-N1148 VanDerWaalsContact CD1-ND2 3.31Å; L1144-N1148 WeakPolarHBondContact CD1-ND2 3.38Å; L1144-N1148 WeakPolarHBondContact CG-ND2 3.38Å; L1144-N1148 WeakPolarHBondContact O-CB 3.23Å; L1144-N1148 VanDerWaalsContact O-CG 3.25Å; L1144-N1148 PolarHBondContact O-N 2.71Å; L1144-N1148 PolarHBondContact O-ND2 3.43Å; L1144-C1180 HydrophobicContact CD2-CB 3.83Å; L1144-C1180 HydrophobicContact CG-CB 4.17Å |
| 1145 | R | 91.4 | Very high | 84.6 | Confident | 30 Ų | 30 | 57.5 Ų | 57.5 | 11% | 0.113 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.8 | -48.4 | 173.4 | -85.3 | -174.4 | 164.1 | -169.7 | -4.3 | 111.1 | M1141 H1142 A1147 N1148 L1149 E1178 L1179 K1181 E1446 | M1141-R1145 WeakPolarHBondContact O-CB 3.22Å; M1141-R1145 PolarHBondContact O-N 2.89Å; H1142-R1145 PolarHBondContact O-N 3.02Å; R1145-A1147 PolarHBondContact O-N 2.96Å; R1145-N1148 PolarHBondContact O-N 2.73Å; R1145-L1149 WeakPolarHBondContact O-CB 3.5Å; R1145-L1149 VanDerWaalsContact O-CG 3.31Å; R1145-L1149 WeakPolarHBondContact O-CG 3.38Å; R1145-L1149 PolarHBondContact O-N 3.14Å; R1145-E1178 PolarHBondContact NH2-O 3.21Å; R1145-L1179 VanDerWaalsContact CG-O 3.31Å; R1145-L1179 WeakPolarHBondContact CG-O 3.11Å; R1145-L1179 PolarHBondContact NE-O 2.8Å; R1145-K1181 HydrophobicContact CG-CB 4.47Å; R1145-K1181 HydrophobicContact CG-CG 4.18Å; R1145-E1446 PolarHBondContact NH1-O 3.14Å |
| 1146 | A | 88.5 | Confident | 83.4 | Confident | 61 Ų | 61 | 60.4 Ų | 60.4 | 50% | 0.504 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.3 | -47.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | H1142 S1143 N1148 L1149 A1150 | H1142-A1146 WeakPolarHBondContact O-CB 3.3Å; H1142-A1146 PolarHBondContact O-N 2.75Å; S1143-A1146 PolarHBondContact O-N 3.25Å; A1146-N1148 VanDerWaalsContact C-N 3.32Å; A1146-N1148 PolarHBondContact O-N 2.87Å; A1146-L1149 PolarHBondContact O-N 2.77Å; A1146-A1150 WeakPolarHBondContact O-CB 3.12Å; A1146-A1150 PolarHBondContact O-N 2.7Å |
| 1147 | A | 87 | Confident | 82.2 | Confident | 58 Ų | 58 | 61.3 Ų | 61.3 | 48% | 0.479 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.1 | -34.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S1143 L1144 R1145 | S1143-A1147 WeakPolarHBondContact O-CB 3.34Å; S1143-A1147 PolarHBondContact O-N 2.72Å; L1144-A1147 PolarHBondContact O-N 3.16Å; R1145-A1147 PolarHBondContact O-N 2.96Å |
| 1148 | N | 88.7 | Confident | 80.9 | Confident | 8 Ų | 8 | 62.2 Ų | 62.2 | 4% | 0.043 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -79.6 | -33.3 | 178.2 | -70.1 | -35.2 | 0 | 0 | 0 | 113.3 | L1144 R1145 A1146 K1151 C1180 D1182 | L1144-N1148 VanDerWaalsContact CD1-ND2 3.31Å; L1144-N1148 WeakPolarHBondContact CD1-ND2 3.38Å; L1144-N1148 WeakPolarHBondContact CG-ND2 3.38Å; L1144-N1148 WeakPolarHBondContact O-CB 3.23Å; L1144-N1148 VanDerWaalsContact O-CG 3.25Å; L1144-N1148 PolarHBondContact O-N 2.71Å; L1144-N1148 PolarHBondContact O-ND2 3.43Å; R1145-N1148 PolarHBondContact O-N 2.73Å; A1146-N1148 VanDerWaalsContact C-N 3.32Å; A1146-N1148 PolarHBondContact O-N 2.87Å; N1148-K1151 WeakPolarHBondContact O-CB 3.3Å; N1148-K1151 PolarHBondContact O-N 2.87Å; N1148-K1151 PolarHBondContact OD1-NZ 3.37Å; N1148-C1180 WeakPolarHBondContact CB-O 3.47Å; N1148-C1180 PolarHBondContact ND2-O 3.04Å; N1148-D1182 HydrophobicContact CB-CB 4.08Å |
| 1149 | L | 85.9 | Confident | 79.8 | Confident | 83 Ų | 83 | 68.1 Ų | 68.1 | 44% | 0.435 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -69.1 | -36.9 | 172 | -70 | 168.7 | 0 | 0 | 0 | 111 | R1145 A1146 K1151 M1152 K1181 | R1145-L1149 WeakPolarHBondContact O-CB 3.5Å; R1145-L1149 VanDerWaalsContact O-CG 3.31Å; R1145-L1149 WeakPolarHBondContact O-CG 3.38Å; R1145-L1149 PolarHBondContact O-N 3.14Å; A1146-L1149 PolarHBondContact O-N 2.77Å; L1149-K1151 PolarHBondContact O-N 3.32Å; L1149-M1152 WeakPolarHBondContact O-CB 3.37Å; L1149-M1152 PolarHBondContact O-N 3.34Å; L1149-K1181 HydrophobicContact CD2-CB 3.99Å; L1149-K1181 HydrophobicContact CG-CB 4.08Å |
| 1150 | A | 83.1 | Confident | 78.9 | Confident | 48 Ų | 48 | 69.2 Ų | 69.2 | 40% | 0.397 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -21 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | A1146 M1152 T1153 | A1146-A1150 WeakPolarHBondContact O-CB 3.12Å; A1146-A1150 PolarHBondContact O-N 2.7Å; A1150-M1152 VanDerWaalsContact C-N 3.26Å; A1150-M1152 PolarHBondContact O-N 3.4Å; A1150-T1153 WeakPolarHBondContact CA-OG1 3.26Å; A1150-T1153 PolarHBondContact O-N 3.04Å; A1150-T1153 PolarHBondContact O-OG1 2.72Å |
| 1151 | K | 80.3 | Confident | 78.3 | Confident | 43 Ų | 43 | 68.5 Ų | 68.5 | 19% | 0.187 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -30.1 | 169.8 | -67.7 | 170.8 | 174 | 158.8 | 0 | 112.8 | N1148 L1149 V1161 F1163 D1182 | N1148-K1151 WeakPolarHBondContact O-CB 3.3Å; N1148-K1151 PolarHBondContact O-N 2.87Å; N1148-K1151 PolarHBondContact OD1-NZ 3.37Å; L1149-K1151 PolarHBondContact O-N 3.32Å; K1151-V1161 HydrophobicContact CB-CG1 3.87Å; K1151-V1161 HydrophobicContact CD-CG1 4.45Å; K1151-V1161 HydrophobicContact CG-CG1 3.99Å; K1151-F1163 HydrophobicContact CB-CE1 3.69Å; K1151-F1163 HydrophobicContact CB-CZ 4.17Å; K1151-F1163 HydrophobicContact CD-CD1 4.12Å; K1151-F1163 HydrophobicContact CD-CE1 4.07Å; K1151-F1163 HydrophobicContact CG-CE1 4.47Å; K1151-D1182 IonicContact NZ-OD1 2.87Å; K1151-D1182 PolarHBondContact NZ-OD1 2.61Å; K1151-D1182 IonicContact NZ-OD2 3.74Å; K1151-D1182 PolarHBondContact NZ-OD2 2.94Å |
| 1152 | M | 69 | Low | 77.8 | Confident | 54 Ų | 54 | 74.9 Ų | 74.9 | 27% | 0.266 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -24.1 | 179.7 | -65.4 | -162.6 | 80.5 | 0 | 0 | 113.2 | L1149 A1150 I1154 V1155 W1183 F1480 | L1149-M1152 WeakPolarHBondContact O-CB 3.37Å; L1149-M1152 PolarHBondContact O-N 3.34Å; A1150-M1152 VanDerWaalsContact C-N 3.26Å; A1150-M1152 PolarHBondContact O-N 3.4Å; M1152-I1154 PolarHBondContact O-N 2.88Å; M1152-V1155 WeakPolarHBondContact O-CG2 3.38Å; M1152-W1183 HydrophobicContact CE-CZ2 3.72Å; M1152-W1183 HydrophobicContact SD-CZ2 3.82Å; M1152-W1183 PolarHBondContact SD-NE1 3.18Å; M1152-F1480 HydrophobicContact CE-CD2 3.92Å; M1152-F1480 HydrophobicContact CE-CE2 3.58Å |
| 1153 | T | 69.9 | Low | 77.4 | Confident | 113 Ų | 113 | 70.8 Ų | 70.8 | 69% | 0.693 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -73.5 | -10.8 | 178 | 43.1 | 0 | 0 | 0 | 0 | 113.5 | A1150 V1155 | A1150-T1153 WeakPolarHBondContact CA-OG1 3.26Å; A1150-T1153 PolarHBondContact O-N 3.04Å; A1150-T1153 PolarHBondContact O-OG1 2.72Å; T1153-V1155 VanDerWaalsContact C-N 3.29Å; T1153-V1155 PolarHBondContact O-N 3.08Å |
| 1154 | I | 64.7 | Low | 77.1 | Confident | 79 Ų | 79 | 67.2 Ų | 67.2 | 41% | 0.405 | 36% | 0.358 | S | S | . | . | trans | -93.8 | 57.4 | 174.8 | -39.3 | 178.6 | 0 | 0 | 0 | 109.6 | M1152 D1156 R1157 I1158 V1161 | M1152-I1154 PolarHBondContact O-N 2.88Å; I1154-D1156 VanDerWaalsContact C-N 3.32Å; I1154-D1156 PolarHBondContact O-N 3.07Å; I1154-R1157 HydrophobicContact CG2-CB 3.8Å; I1154-R1157 HydrophobicContact CG2-CG 4.28Å; I1154-R1157 CarbonylContact O-C 3.49Å; I1154-R1157 PolarHBondContact O-N 3.09Å; I1154-I1158 PolarHBondContact O-N 3.48Å; I1154-V1161 HydrophobicContact CB-CG2 4.28Å; I1154-V1161 HydrophobicContact CD1-CG2 4.33Å | ||
| 1155 | V | 59 | Low | 76.8 | Confident | 60 Ų | 60 | 69.9 Ų | 69.9 | 36% | 0.364 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -57.5 | -47 | -176.2 | -178 | 0 | 0 | 0 | 0 | 110.7 | M1152 T1153 R1157 I1158 I1483 | M1152-V1155 WeakPolarHBondContact O-CG2 3.38Å; T1153-V1155 VanDerWaalsContact C-N 3.29Å; T1153-V1155 PolarHBondContact O-N 3.08Å; V1155-R1157 PolarHBondContact O-N 2.88Å; V1155-I1158 HydrophobicContact CB-CD1 4.45Å; V1155-I1158 HydrophobicContact CG1-CD1 4.01Å; V1155-I1158 WeakPolarHBondContact O-CD1 3.21Å; V1155-I1158 VanDerWaalsContact O-CG1 3.28Å; V1155-I1158 WeakPolarHBondContact O-CG1 3.36Å; V1155-I1158 PolarHBondContact O-N 2.85Å; V1155-I1483 HydrophobicContact CG1-CD1 3.97Å |
| 1156 | D | 62.3 | Low | 76.5 | Confident | 163 Ų | 163 | 70.9 Ų | 70.9 | 87% | 0.872 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -64.1 | -4.8 | -177.5 | -40.4 | -28.8 | 0 | 0 | 0 | 114.3 | I1154 | I1154-D1156 VanDerWaalsContact C-N 3.32Å; I1154-D1156 PolarHBondContact O-N 3.07Å |
| 1157 | R | 63.9 | Low | 76.3 | Confident | 136 Ų | 136 | 74.4 Ų | 74.4 | 51% | 0.513 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -139.4 | 33.8 | 178 | -57.2 | 172.4 | 167.3 | -110.1 | -8.2 | 112.6 | I1154 V1155 E1159 E1160 V1161 | I1154-R1157 HydrophobicContact CG2-CB 3.8Å; I1154-R1157 HydrophobicContact CG2-CG 4.28Å; I1154-R1157 CarbonylContact O-C 3.49Å; I1154-R1157 PolarHBondContact O-N 3.09Å; V1155-R1157 PolarHBondContact O-N 2.88Å; R1157-E1159 PolarHBondContact O-N 2.96Å; R1157-E1160 HydrophobicContact CB-CB 4.2Å; R1157-E1160 HydrophobicContact CB-CG 4.21Å; R1157-E1160 WeakPolarHBondContact CD-OE2 3.25Å; R1157-E1160 IonicContact CZ-OE1 2.71Å; R1157-E1160 IonicContact CZ-OE2 2.61Å; R1157-E1160 IonicContact NE-OE2 3.79Å; R1157-E1160 IonicContact NH1-OE1 3.92Å; R1157-E1160 PolarHBondContact NH1-OE1 3.01Å; R1157-E1160 IonicContact NH1-OE2 2.69Å; R1157-E1160 PolarHBondContact NH1-OE2 3.18Å; R1157-E1160 PolarHBondContact O-N 3.39Å; R1157-V1161 WeakPolarHBondContact O-CG2 3.48Å; R1157-V1161 PolarHBondContact O-N 3.17Å |
| 1158 | I | 66.6 | Low | 76 | Confident | 22 Ų | 22 | 78.1 Ų | 78.1 | 11% | 0.113 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -28.3 | 172.8 | -78.8 | 163.5 | 0 | 0 | 0 | 112.3 | I1154 V1155 A1170 F1480 I1483 | I1154-I1158 PolarHBondContact O-N 3.48Å; V1155-I1158 HydrophobicContact CB-CD1 4.45Å; V1155-I1158 HydrophobicContact CG1-CD1 4.01Å; V1155-I1158 WeakPolarHBondContact O-CD1 3.21Å; V1155-I1158 VanDerWaalsContact O-CG1 3.28Å; V1155-I1158 WeakPolarHBondContact O-CG1 3.36Å; V1155-I1158 PolarHBondContact O-N 2.85Å; I1158-A1170 HydrophobicContact CG2-CB 3.82Å; I1158-F1480 HydrophobicContact CD1-CE1 3.79Å; I1158-F1480 HydrophobicContact CD1-CE2 3.8Å; I1158-F1480 HydrophobicContact CD1-CZ 3.4Å; I1158-F1480 HydrophobicContact CG1-CE1 4.08Å; I1158-F1480 HydrophobicContact CG1-CE2 4.47Å; I1158-F1480 HydrophobicContact CG1-CZ 3.68Å; I1158-F1480 HydrophobicContact CG2-CE1 3.69Å; I1158-F1480 HydrophobicContact CG2-CZ 4.17Å; I1158-I1483 HydrophobicContact CD1-CD1 4.46Å |
| 1159 | E | 67.3 | Low | 75.7 | Confident | 147 Ų | 147 | 80.1 Ų | 80.1 | 69% | 0.687 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -13.2 | 174.4 | -57.9 | -168.4 | 176.4 | 0 | 0 | 115.3 | R1157 T1169 | R1157-E1159 PolarHBondContact O-N 2.96Å; E1159-T1169 WeakPolarHBondContact O-CG2 3.4Å |
| 1160 | E | 71.7 | Confident | 75.5 | Confident | 121 Ų | 121 | 77.3 Ų | 77.3 | 57% | 0.565 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -28.1 | 171.5 | -62.6 | -175.8 | 174.5 | 0 | 0 | 111.8 | R1157 K1162 | R1157-E1160 HydrophobicContact CB-CB 4.2Å; R1157-E1160 HydrophobicContact CB-CG 4.21Å; R1157-E1160 WeakPolarHBondContact CD-OE2 3.25Å; R1157-E1160 IonicContact CZ-OE1 2.71Å; R1157-E1160 IonicContact CZ-OE2 2.61Å; R1157-E1160 IonicContact NE-OE2 3.79Å; R1157-E1160 IonicContact NH1-OE1 3.92Å; R1157-E1160 PolarHBondContact NH1-OE1 3.01Å; R1157-E1160 IonicContact NH1-OE2 2.69Å; R1157-E1160 PolarHBondContact NH1-OE2 3.18Å; R1157-E1160 PolarHBondContact O-N 3.39Å; E1160-K1162 PolarHBondContact O-N 2.99Å |
| 1161 | V | 77.6 | Confident | 75 | Confident | 20 Ų | 20 | 78.2 Ų | 78.2 | 12% | 0.121 | 39% | 0.392 | C | S | . | . | trans | -78.3 | 122.2 | -172.3 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | K1151 I1154 R1157 F1163 T1169 | K1151-V1161 HydrophobicContact CB-CG1 3.87Å; K1151-V1161 HydrophobicContact CD-CG1 4.45Å; K1151-V1161 HydrophobicContact CG-CG1 3.99Å; I1154-V1161 HydrophobicContact CB-CG2 4.28Å; I1154-V1161 HydrophobicContact CD1-CG2 4.33Å; R1157-V1161 WeakPolarHBondContact O-CG2 3.48Å; R1157-V1161 PolarHBondContact O-N 3.17Å; V1161-F1163 HydrophobicContact CB-CE2 3.78Å; V1161-F1163 HydrophobicContact CB-CZ 4.04Å; V1161-F1163 HydrophobicContact CG1-CD2 4.18Å; V1161-F1163 HydrophobicContact CG1-CE1 4.01Å; V1161-F1163 HydrophobicContact CG1-CE2 3.58Å; V1161-F1163 HydrophobicContact CG1-CZ 3.48Å; V1161-F1163 VanDerWaalsContact CG1-CZ 3.48Å; V1161-F1163 WeakPolarHBondContact O-CD2 3.25Å; V1161-F1163 WeakPolarHBondContact O-CE2 3.16Å; V1161-T1169 WeakPolarHBondContact O-CA 3.34Å | ||
| 1162 | K | 82.9 | Confident | 74.7 | Confident | 134 Ų | 134 | 79.3 Ų | 79.3 | 58% | 0.583 | 42% | 0.416 | S | S | * | . | trans | -90.9 | 111.9 | -178.3 | -67 | 178.9 | -179.8 | 176.6 | 0 | 111.7 | E1160 R1167 | E1160-K1162 PolarHBondContact O-N 2.99Å; K1162-R1167 WeakPolarHBondContact CD-O 3.47Å; K1162-R1167 WeakPolarHBondContact CG-O 3.19Å | ||
| 1163 | F | 83.5 | Confident | 75.1 | Confident | 2 Ų | 2 | 80 Ų | 80 | 1% | 0.009 | 42% | 0.418 | C | S | . | . | B | Isolated β-bridge | trans | -100.6 | 174.7 | 176.1 | -59.4 | -85.7 | 0 | 0 | 0 | 111.1 | K1151 V1161 R1167 K1168 A1170 M1174 W1183 | K1151-F1163 HydrophobicContact CB-CE1 3.69Å; K1151-F1163 HydrophobicContact CB-CZ 4.17Å; K1151-F1163 HydrophobicContact CD-CD1 4.12Å; K1151-F1163 HydrophobicContact CD-CE1 4.07Å; K1151-F1163 HydrophobicContact CG-CE1 4.47Å; V1161-F1163 HydrophobicContact CB-CE2 3.78Å; V1161-F1163 HydrophobicContact CB-CZ 4.04Å; V1161-F1163 HydrophobicContact CG1-CD2 4.18Å; V1161-F1163 HydrophobicContact CG1-CE1 4.01Å; V1161-F1163 HydrophobicContact CG1-CE2 3.58Å; V1161-F1163 HydrophobicContact CG1-CZ 3.48Å; V1161-F1163 VanDerWaalsContact CG1-CZ 3.48Å; V1161-F1163 WeakPolarHBondContact O-CD2 3.25Å; V1161-F1163 WeakPolarHBondContact O-CE2 3.16Å; F1163-R1167 WeakPolarHBondContact O-CA 3.25Å; F1163-R1167 PolarHBondContact O-N 3.24Å; F1163-K1168 PolarHBondContact N-O 2.74Å; F1163-K1168 PolarHBondContact O-N 3.24Å; F1163-A1170 HydrophobicContact CD2-CB 4.17Å; F1163-A1170 HydrophobicContact CE2-CB 4.23Å; F1163-M1174 HydrophobicContact CB-CE 3.79Å; F1163-M1174 HydrophobicContact CG-CE 4.49Å; F1163-W1183 HydrophobicContact CD1-CB 3.98Å |
| 1164 | C | 85.9 | Confident | 75.8 | Confident | 5 Ų | 5 | 75.6 Ų | 75.6 | 3% | 0.034 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 167.6 | 173.6 | -163.7 | 0 | 0 | 0 | 0 | 116.7 | C1166 R1167 W1183 F1184 H1185 C1188 | C1164-C1166 PolarHBondContact O-N 3.39Å; C1164-R1167 PolarHBondContact O-N 2.74Å; C1164-W1183 VanDerWaalsContact CA-O 3.25Å; C1164-W1183 WeakPolarHBondContact CA-O 3.38Å; C1164-W1183 PolarHBondContact N-O 3.16Å; C1164-F1184 HydrophobicContact CB-CD1 4.32Å; C1164-H1185 WeakPolarHBondContact CB-ND1 3.43Å; C1164-H1185 PolarHBondContact SG-N 3.33Å; C1164-H1185 VanDerWaalsContact SG-N 3.4Å; C1164-H1185 PolarHBondContact SG-ND1 3.27Å; C1164-H1185 VanDerWaalsContact SG-ND1 3.41Å; C1164-C1188 WeakPolarHBondContact SG-CB 3.32Å |
| 1165 | I | 83.1 | Confident | 76.7 | Confident | 81 Ų | 81 | 72.7 Ų | 72.7 | 42% | 0.415 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -25.7 | 172.2 | 65.9 | 173.4 | 0 | 0 | 0 | 112.7 | R1167 F1184 C1188 L1214 | I1165-R1167 VanDerWaalsContact C-N 3.3Å; I1165-R1167 PolarHBondContact O-N 2.91Å; I1165-F1184 HydrophobicContact CG2-CD1 4.02Å; I1165-F1184 HydrophobicContact CG2-CE1 3.72Å; I1165-C1188 VanDerWaalsContact CD1-O 3.28Å; I1165-C1188 WeakPolarHBondContact CD1-O 3.39Å; I1165-C1188 HydrophobicContact CG1-CB 4.44Å; I1165-L1214 HydrophobicContact CG2-CD1 4.46Å |
| 1166 | C | 84.9 | Confident | 78.1 | Confident | 50 Ų | 50 | 72.1 Ų | 72.1 | 34% | 0.338 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -5.8 | 179.1 | 70.5 | 0 | 0 | 0 | 0 | 114 | C1164 K1168 H1185 | C1164-C1166 PolarHBondContact O-N 3.39Å; C1166-K1168 PolarHBondContact O-N 2.98Å; C1166-H1185 PolarHBondContact SG-CE1 2.81Å; C1166-H1185 PolarHBondContact SG-ND1 3.1Å |
| 1167 | R | 84.3 | Confident | 79.4 | Confident | 136 Ų | 136 | 64.4 Ų | 64.4 | 51% | 0.513 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 28.9 | -179.9 | -56.8 | -61.7 | -178 | 133 | 4.6 | 115 | Y1083 K1162 F1163 C1164 I1165 | Y1083-R1167 PolarHBondContact O-NH2 3.09Å; K1162-R1167 WeakPolarHBondContact CD-O 3.47Å; K1162-R1167 WeakPolarHBondContact CG-O 3.19Å; F1163-R1167 WeakPolarHBondContact O-CA 3.25Å; F1163-R1167 PolarHBondContact O-N 3.24Å; C1164-R1167 PolarHBondContact O-N 2.74Å; I1165-R1167 VanDerWaalsContact C-N 3.3Å; I1165-R1167 PolarHBondContact O-N 2.91Å |
| 1168 | K | 81.1 | Confident | 80.6 | Confident | 135 Ų | 135 | 59.3 Ų | 59.3 | 59% | 0.587 | 31% | 0.309 | S | S | * | . | B | Isolated β-bridge | trans | -90.5 | 161.3 | 170.2 | -67.8 | -168.4 | 171.8 | -162 | 0 | 111.1 | F1163 C1166 | F1163-K1168 PolarHBondContact N-O 2.74Å; F1163-K1168 PolarHBondContact O-N 3.24Å; C1166-K1168 PolarHBondContact O-N 2.98Å |
| 1169 | T | 83.5 | Confident | 81.7 | Confident | 51 Ų | 51 | 58.3 Ų | 58.3 | 31% | 0.313 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 168.9 | 168.3 | 51.2 | 0 | 0 | 0 | 0 | 111.2 | E1159 V1161 S1171 H1185 | E1159-T1169 WeakPolarHBondContact O-CG2 3.4Å; V1161-T1169 WeakPolarHBondContact O-CA 3.34Å; T1169-S1171 PolarHBondContact O-N 2.85Å; T1169-S1171 PolarHBondContact O-OG 2.72Å; T1169-H1185 PolarHBondContact O-CE1 2.87Å; T1169-H1185 PolarHBondContact O-NE2 3.44Å |
| 1170 | A | 80 | Confident | 82.8 | Confident | 23 Ų | 23 | 51.6 Ų | 51.6 | 19% | 0.19 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -59 | 139.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | I1158 F1163 M1174 F1480 | I1158-A1170 HydrophobicContact CG2-CB 3.82Å; F1163-A1170 HydrophobicContact CD2-CB 4.17Å; F1163-A1170 HydrophobicContact CE2-CB 4.23Å; A1170-M1174 VanDerWaalsContact CA-SD 3.59Å; A1170-M1174 HydrophobicContact CB-SD 3.78Å; A1170-F1480 HydrophobicContact CB-CD1 4.14Å; A1170-F1480 HydrophobicContact CB-CE1 3.59Å |
| 1171 | S | 73.1 | Confident | 83.7 | Confident | 67 Ų | 67 | 47.7 Ų | 47.7 | 47% | 0.469 | 25% | 0.254 | S | S | . | . | trans | -162.2 | 124.7 | 177 | 33.1 | 0 | 0 | 0 | 0 | 111.8 | T1169 H1185 | T1169-S1171 PolarHBondContact O-N 2.85Å; T1169-S1171 PolarHBondContact O-OG 2.72Å; S1171-H1185 PolarHBondContact O-CD2 2.96Å; S1171-H1185 PolarHBondContact OG-CD2 2.88Å; S1171-H1185 VanDerWaalsContact OG-CD2 3.29Å; S1171-H1185 PolarHBondContact OG-NE2 2.71Å | ||
| 1172 | G | 74.8 | Confident | 84.2 | Confident | 67 Ų | 67 | 47.8 Ų | 47.8 | 69% | 0.691 | 25% | 0.254 | S | S | * | . | S | Bend | trans | 57.1 | -155.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | M1174 | G1172-M1174 PolarHBondContact O-N 3.47Š|
| 1173 | F | 77.1 | Confident | 84.5 | Confident | 69 Ų | 69 | 44.3 Ų | 44.3 | 30% | 0.303 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -71.1 | 124.9 | -176.9 | -171.4 | -110.5 | 0 | 0 | 0 | 112.6 | L1175 N1186 K1206 | F1173-L1175 HydrophobicContact CE1-CD2 3.73Å; F1173-L1175 HydrophobicContact CE1-CG 4.37Å; F1173-L1175 HydrophobicContact CZ-CD2 4.24Å; F1173-N1186 HydrophobicContact CD1-CB 4.12Å; F1173-N1186 VanDerWaalsContact O-CB 3.31Å; F1173-N1186 WeakPolarHBondContact O-CB 3.26Å; F1173-N1186 PolarHBondContact O-N 2.99Å; F1173-N1186 VanDerWaalsContact O-N 3.07Å; F1173-K1206 HydrophobicContact CE2-CG 3.99Å; F1173-K1206 HydrophobicContact CZ-CG 3.77Å |
| 1174 | M | 84.3 | Confident | 84.7 | Confident | 20 Ų | 20 | 44.3 Ų | 44.3 | 10% | 0.099 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 148.8 | 179.8 | -58.1 | -168.2 | 73.2 | 0 | 0 | 111.8 | F1163 A1170 G1172 W1183 F1184 | F1163-M1174 HydrophobicContact CB-CE 3.79Å; F1163-M1174 HydrophobicContact CG-CE 4.49Å; A1170-M1174 VanDerWaalsContact CA-SD 3.59Å; A1170-M1174 HydrophobicContact CB-SD 3.78Å; G1172-M1174 PolarHBondContact O-N 3.47Å; M1174-W1183 HydrophobicContact CB-CE3 3.85Å; M1174-W1183 HydrophobicContact CE-CB 3.97Å; M1174-F1184 CarbonylContact C-O 3.53Å; M1174-F1184 WeakPolarHBondContact CA-O 3.36Å |
| 1175 | L | 84.3 | Confident | 84.7 | Confident | 17 Ų | 17 | 44.8 Ų | 44.8 | 9% | 0.089 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 124.1 | 180 | -63.9 | 167.3 | 0 | 0 | 0 | 109.5 | F1173 F1184 V1189 L1191 F1210 | F1173-L1175 HydrophobicContact CE1-CD2 3.73Å; F1173-L1175 HydrophobicContact CE1-CG 4.37Å; F1173-L1175 HydrophobicContact CZ-CD2 4.24Å; L1175-F1184 PolarHBondContact N-O 3.49Å; L1175-F1184 PolarHBondContact O-N 3.2Å; L1175-V1189 HydrophobicContact CD1-CG2 4Å; L1175-L1191 HydrophobicContact CD1-CD2 3.97Å; L1175-F1210 HydrophobicContact CB-CD1 3.77Å; L1175-F1210 HydrophobicContact CB-CE1 3.94Å; L1175-F1210 HydrophobicContact CB-CG 4.24Å; L1175-F1210 HydrophobicContact CD1-CD2 4.42Å; L1175-F1210 HydrophobicContact CD1-CE2 4.44Å |
| 1176 | Q | 88.6 | Confident | 84.8 | Confident | 49 Ų | 49 | 43.6 Ų | 43.6 | 23% | 0.229 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 132.4 | 172 | -162.7 | -174.9 | 47.6 | 0 | 0 | 110.8 | K1181 D1182 W1183 F1210 | Q1176-K1181 HydrophobicContact CG-CD 4.41Å; Q1176-K1181 WeakPolarHBondContact CG-O 3.17Å; Q1176-K1181 PolarHBondContact NE2-O 2.86Å; Q1176-D1182 WeakPolarHBondContact CA-O 3.42Å; Q1176-W1183 HydrophobicContact CB-CD2 3.87Å; Q1176-W1183 HydrophobicContact CB-CE3 3.9Å; Q1176-W1183 HydrophobicContact CB-CH2 4.01Å; Q1176-W1183 HydrophobicContact CB-CZ2 3.96Å; Q1176-W1183 HydrophobicContact CB-CZ3 3.98Å; Q1176-W1183 HydrophobicContact CG-CD2 4.14Å; Q1176-W1183 HydrophobicContact CG-CG 4.48Å; Q1176-W1183 HydrophobicContact CG-CZ2 4.21Å; Q1176-F1210 WeakPolarHBondContact O-CD1 3.05Å |
| 1177 | C | 89.7 | Confident | 84.7 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -76.8 | 126.2 | 174.2 | 178.7 | 0 | 0 | 0 | 0 | 111.6 | L1179 C1180 K1181 D1182 F1184 F1210 C1212 C1215 | C1177-L1179 VanDerWaalsContact C-N 3.32Å; C1177-L1179 PolarHBondContact O-N 3.16Å; C1177-C1180 VanDerWaalsContact CB-SG 3.59Å; C1177-C1180 VanDerWaalsContact SG-SG 3.62Å; C1177-K1181 WeakPolarHBondContact O-CA 3.32Å; C1177-K1181 PolarHBondContact O-N 2.74Å; C1177-D1182 PolarHBondContact N-O 2.92Å; C1177-F1184 HydrophobicContact CB-CD2 4.23Å; C1177-F1184 HydrophobicContact CB-CE2 3.74Å; C1177-F1210 HydrophobicContact CB-CD1 4.46Å; C1177-F1210 HydrophobicContact CB-CE1 4.43Å; C1177-C1212 HydrophobicContact CB-CB 3.92Å; C1177-C1212 PolarHBondContact SG-N 2.9Å; C1177-C1212 VanDerWaalsContact SG-SG 3.6Å; C1177-C1215 VanDerWaalsContact SG-CB 3.56Å; C1177-C1215 PolarHBondContact SG-SG 3.49Å | ||
| 1178 | E | 87.7 | Confident | 84.6 | Confident | 30 Ų | 30 | 41 Ų | 41 | 14% | 0.14 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -30.9 | -175.6 | -67.2 | -79.8 | -144.2 | 0 | 0 | 114.1 | R1145 K1181 K1209 F1210 L1211 W1466 | R1145-E1178 PolarHBondContact NH2-O 3.21Å; E1178-K1181 WeakPolarHBondContact O-CE 3.34Å; E1178-K1181 IonicContact OE2-NZ 3.22Å; E1178-K1181 PolarHBondContact OE2-NZ 3.31Å; E1178-K1209 HydrophobicContact CG-CG 3.92Å; E1178-F1210 PolarHBondContact N-O 3.3Å; E1178-L1211 HydrophobicContact CB-CD2 4.12Å; E1178-W1466 PolarHBondContact OE1-NE1 2.96Å |
| 1179 | L | 90.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -61.3 | 178.6 | 179.7 | 56.2 | 0 | 0 | 0 | 111.7 | M1141 R1145 C1177 L1211 C1215 M1450 D1453 L1454 | M1141-L1179 HydrophobicContact CE-CD1 4.02Å; M1141-L1179 HydrophobicContact CE-CD2 3.97Å; M1141-L1179 HydrophobicContact CE-CG 3.76Å; M1141-L1179 HydrophobicContact CG-CD1 3.82Å; M1141-L1179 HydrophobicContact CG-CG 4.46Å; M1141-L1179 HydrophobicContact SD-CD1 3.85Å; M1141-L1179 HydrophobicContact SD-CG 3.82Å; R1145-L1179 VanDerWaalsContact CG-O 3.31Å; R1145-L1179 WeakPolarHBondContact CG-O 3.11Å; R1145-L1179 PolarHBondContact NE-O 2.8Å; C1177-L1179 VanDerWaalsContact C-N 3.32Å; C1177-L1179 PolarHBondContact O-N 3.16Å; L1179-L1211 HydrophobicContact CB-CD2 3.63Å; L1179-C1215 HydrophobicContact CB-CB 4.01Å; L1179-C1215 HydrophobicContact CD2-CB 3.91Å; L1179-C1215 HydrophobicContact CG-CB 4.38Å; L1179-M1450 HydrophobicContact CD1-CG 4.09Å; L1179-D1453 HydrophobicContact CB-CB 4.31Å; L1179-D1453 HydrophobicContact CD1-CB 3.95Å; L1179-D1453 HydrophobicContact CG-CB 4.5Å; L1179-L1454 HydrophobicContact CD1-CD2 4.15Å; L1179-L1454 HydrophobicContact CD1-CG 4.11Å; L1179-L1454 HydrophobicContact CD2-CD2 4.38Å |
| 1180 | C | 90 | Very high | 84.3 | Confident | 6 Ų | 6 | 37.4 Ų | 37.4 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -9 | -176.2 | 69.8 | 0 | 0 | 0 | 0 | 115.6 | M1141 L1144 N1148 C1177 D1182 C1215 | M1141-C1180 HydrophobicContact SD-CB 4.39Å; L1144-C1180 HydrophobicContact CD2-CB 3.83Å; L1144-C1180 HydrophobicContact CG-CB 4.17Å; N1148-C1180 WeakPolarHBondContact CB-O 3.47Å; N1148-C1180 PolarHBondContact ND2-O 3.04Å; C1177-C1180 VanDerWaalsContact CB-SG 3.59Å; C1177-C1180 VanDerWaalsContact SG-SG 3.62Å; C1180-D1182 PolarHBondContact O-N 2.76Å; C1180-D1182 VanDerWaalsContact O-N 3.12Å; C1180-C1215 VanDerWaalsContact CB-SG 3.57Å |
| 1181 | K | 90.2 | Very high | 83.7 | Confident | 40 Ų | 40 | 40 Ų | 40 | 17% | 0.174 | 25% | 0.251 | C | S | . | . | trans | 58.6 | 12.8 | -176.7 | -62.1 | -64.6 | -171.7 | 175.9 | 0 | 116.7 | R1145 L1149 Q1176 C1177 E1178 | R1145-K1181 HydrophobicContact CG-CB 4.47Å; R1145-K1181 HydrophobicContact CG-CG 4.18Å; L1149-K1181 HydrophobicContact CD2-CB 3.99Å; L1149-K1181 HydrophobicContact CG-CB 4.08Å; Q1176-K1181 HydrophobicContact CG-CD 4.41Å; Q1176-K1181 WeakPolarHBondContact CG-O 3.17Å; Q1176-K1181 PolarHBondContact NE2-O 2.86Å; C1177-K1181 WeakPolarHBondContact O-CA 3.32Å; C1177-K1181 PolarHBondContact O-N 2.74Å; E1178-K1181 WeakPolarHBondContact O-CE 3.34Å; E1178-K1181 IonicContact OE2-NZ 3.22Å; E1178-K1181 PolarHBondContact OE2-NZ 3.31Å | ||
| 1182 | D | 89.2 | Confident | 83.1 | Confident | 22 Ų | 22 | 39.2 Ų | 39.2 | 12% | 0.118 | 24% | 0.243 | C | C | . | . | trans | -78.3 | 158.8 | 169.7 | -155.6 | 5.9 | 0 | 0 | 0 | 112.4 | N1148 K1151 Q1176 C1177 C1180 F1184 | N1148-D1182 HydrophobicContact CB-CB 4.08Å; K1151-D1182 IonicContact NZ-OD1 2.87Å; K1151-D1182 PolarHBondContact NZ-OD1 2.61Å; K1151-D1182 IonicContact NZ-OD2 3.74Å; K1151-D1182 PolarHBondContact NZ-OD2 2.94Å; Q1176-D1182 WeakPolarHBondContact CA-O 3.42Å; C1177-D1182 PolarHBondContact N-O 2.92Å; C1180-D1182 PolarHBondContact O-N 2.76Å; C1180-D1182 VanDerWaalsContact O-N 3.12Å; D1182-F1184 HydrophobicContact CB-CE2 3.81Å; D1182-F1184 HydrophobicContact CB-CZ 4.03Å; D1182-F1184 WeakPolarHBondContact O-CD2 3.38Å; D1182-F1184 VanDerWaalsContact O-CE2 3.31Å; D1182-F1184 WeakPolarHBondContact O-CE2 3.28Å | ||
| 1183 | W | 87.9 | Confident | 81.9 | Confident | 61 Ų | 61 | 46 Ų | 46 | 23% | 0.231 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 142.6 | -176.3 | -68.6 | 86.9 | 0 | 0 | 0 | 113.1 | M1152 F1163 C1164 M1174 Q1176 | M1152-W1183 HydrophobicContact CE-CZ2 3.72Å; M1152-W1183 HydrophobicContact SD-CZ2 3.82Å; M1152-W1183 PolarHBondContact SD-NE1 3.18Å; F1163-W1183 HydrophobicContact CD1-CB 3.98Å; C1164-W1183 VanDerWaalsContact CA-O 3.25Å; C1164-W1183 WeakPolarHBondContact CA-O 3.38Å; C1164-W1183 PolarHBondContact N-O 3.16Å; M1174-W1183 HydrophobicContact CB-CE3 3.85Å; M1174-W1183 HydrophobicContact CE-CB 3.97Å; Q1176-W1183 HydrophobicContact CB-CD2 3.87Å; Q1176-W1183 HydrophobicContact CB-CE3 3.9Å; Q1176-W1183 HydrophobicContact CB-CH2 4.01Å; Q1176-W1183 HydrophobicContact CB-CZ2 3.96Å; Q1176-W1183 HydrophobicContact CB-CZ3 3.98Å; Q1176-W1183 HydrophobicContact CG-CD2 4.14Å; Q1176-W1183 HydrophobicContact CG-CG 4.48Å; Q1176-W1183 HydrophobicContact CG-CZ2 4.21Å |
| 1184 | F | 89.6 | Confident | 80.3 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.009 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 129.5 | -175.6 | -60.5 | -93.4 | 0 | 0 | 0 | 111.6 | C1164 I1165 M1174 L1175 C1177 D1182 N1186 V1189 F1210 C1212 | C1164-F1184 HydrophobicContact CB-CD1 4.32Å; I1165-F1184 HydrophobicContact CG2-CD1 4.02Å; I1165-F1184 HydrophobicContact CG2-CE1 3.72Å; M1174-F1184 CarbonylContact C-O 3.53Å; M1174-F1184 WeakPolarHBondContact CA-O 3.36Å; L1175-F1184 PolarHBondContact N-O 3.49Å; L1175-F1184 PolarHBondContact O-N 3.2Å; C1177-F1184 HydrophobicContact CB-CD2 4.23Å; C1177-F1184 HydrophobicContact CB-CE2 3.74Å; D1182-F1184 HydrophobicContact CB-CE2 3.81Å; D1182-F1184 HydrophobicContact CB-CZ 4.03Å; D1182-F1184 WeakPolarHBondContact O-CD2 3.38Å; D1182-F1184 VanDerWaalsContact O-CE2 3.31Å; D1182-F1184 WeakPolarHBondContact O-CE2 3.28Å; F1184-N1186 PolarHBondContact O-N 3Å; F1184-V1189 HydrophobicContact CB-CB 4.43Å; F1184-V1189 HydrophobicContact CB-CG1 3.72Å; F1184-V1189 HydrophobicContact CB-CG2 3.8Å; F1184-V1189 HydrophobicContact CD1-CG1 3.79Å; F1184-V1189 HydrophobicContact CG-CG1 3.96Å; F1184-F1210 HydrophobicContact CB-CE1 4.34Å; F1184-F1210 AromaticContact CD2-CE1 3.95Å; F1184-F1210 HydrophobicContact CD2-CE1 3.95Å; F1184-F1210 HydrophobicContact CG-CE1 4.33Å; F1184-C1212 HydrophobicContact CD1-CB 4.19Å; F1184-C1212 HydrophobicContact CD2-CB 3.74Å; F1184-C1212 HydrophobicContact CE1-CB 3.87Å; F1184-C1212 HydrophobicContact CE2-CB 3.38Å; F1184-C1212 HydrophobicContact CG-CB 4.16Å; F1184-C1212 HydrophobicContact CZ-CB 3.47Å; F1184-C1212 VanDerWaalsContact CZ-CB 3.47Å; F1184-C1212 WeakPolarHBondContact CZ-SG 3.19Å |
| 1185 | H | 85.7 | Confident | 77.9 | Confident | 14 Ų | 14 | 50.1 Ų | 50.1 | 7% | 0.065 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 135.9 | 175.6 | -48.5 | 87.8 | 0 | 0 | 0 | 110.6 | C1164 C1166 T1169 S1171 G1187 C1188 | C1164-H1185 WeakPolarHBondContact CB-ND1 3.43Å; C1164-H1185 PolarHBondContact SG-N 3.33Å; C1164-H1185 VanDerWaalsContact SG-N 3.4Å; C1164-H1185 PolarHBondContact SG-ND1 3.27Å; C1164-H1185 VanDerWaalsContact SG-ND1 3.41Å; C1166-H1185 PolarHBondContact SG-CE1 2.81Å; C1166-H1185 PolarHBondContact SG-ND1 3.1Å; T1169-H1185 PolarHBondContact O-CE1 2.87Å; T1169-H1185 PolarHBondContact O-NE2 3.44Å; S1171-H1185 PolarHBondContact O-CD2 2.96Å; S1171-H1185 PolarHBondContact OG-CD2 2.88Å; S1171-H1185 VanDerWaalsContact OG-CD2 3.29Å; S1171-H1185 PolarHBondContact OG-NE2 2.71Å; H1185-G1187 PolarHBondContact O-N 2.99Å; H1185-G1187 VanDerWaalsContact O-N 3.11Å; H1185-C1188 HydrophobicContact CB-CB 4.21Å; H1185-C1188 PolarHBondContact O-N 3.37Å |
| 1186 | N | 84.8 | Confident | 75.4 | Confident | 56 Ų | 56 | 55.2 Ų | 55.2 | 30% | 0.299 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -53 | -35.4 | -179 | -177.5 | 38.1 | 0 | 0 | 0 | 113.3 | F1173 F1184 C1188 L1191 | F1173-N1186 HydrophobicContact CD1-CB 4.12Å; F1173-N1186 VanDerWaalsContact O-CB 3.31Å; F1173-N1186 WeakPolarHBondContact O-CB 3.26Å; F1173-N1186 PolarHBondContact O-N 2.99Å; F1173-N1186 VanDerWaalsContact O-N 3.07Å; F1184-N1186 PolarHBondContact O-N 3Å; N1186-C1188 VanDerWaalsContact C-N 3.34Å; N1186-C1188 PolarHBondContact O-N 2.83Å; N1186-L1191 WeakPolarHBondContact OD1-CD2 3.49Å; N1186-L1191 WeakPolarHBondContact OD1-CG 3.33Å |
| 1187 | G | 81.7 | Confident | 72.8 | Confident | 82 Ų | 82 | 62 Ų | 62 | 85% | 0.845 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -77.6 | -8.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | H1185 | H1185-G1187 PolarHBondContact O-N 2.99Å; H1185-G1187 VanDerWaalsContact O-N 3.11Å |
| 1188 | C | 83.7 | Confident | 70.1 | Confident | 51 Ų | 51 | 72 Ų | 72 | 35% | 0.345 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -105.7 | -7 | -176.4 | -68.2 | 0 | 0 | 0 | 0 | 113.9 | C1164 I1165 H1185 N1186 | C1164-C1188 WeakPolarHBondContact SG-CB 3.32Å; I1165-C1188 VanDerWaalsContact CD1-O 3.28Å; I1165-C1188 WeakPolarHBondContact CD1-O 3.39Å; I1165-C1188 HydrophobicContact CG1-CB 4.44Å; H1185-C1188 HydrophobicContact CB-CB 4.21Å; H1185-C1188 PolarHBondContact O-N 3.37Å; N1186-C1188 VanDerWaalsContact C-N 3.34Å; N1186-C1188 PolarHBondContact O-N 2.83Å |
| 1189 | V | 83.1 | Confident | 67.4 | Low | 9 Ų | 9 | 80.9 Ų | 80.9 | 6% | 0.055 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -133.6 | 141.8 | 179.2 | -71.2 | 0 | 0 | 0 | 0 | 110.6 | L1175 F1184 L1191 F1210 P1213 | L1175-V1189 HydrophobicContact CD1-CG2 4Å; F1184-V1189 HydrophobicContact CB-CB 4.43Å; F1184-V1189 HydrophobicContact CB-CG1 3.72Å; F1184-V1189 HydrophobicContact CB-CG2 3.8Å; F1184-V1189 HydrophobicContact CD1-CG1 3.79Å; F1184-V1189 HydrophobicContact CG-CG1 3.96Å; V1189-L1191 PolarHBondContact O-N 3.41Å; V1189-F1210 HydrophobicContact CB-CE2 4.2Å; V1189-F1210 HydrophobicContact CB-CZ 3.77Å; V1189-F1210 HydrophobicContact CG1-CZ 4.13Å; V1189-F1210 HydrophobicContact CG2-CE1 4.33Å; V1189-F1210 HydrophobicContact CG2-CE2 4Å; V1189-F1210 HydrophobicContact CG2-CZ 3.52Å; V1189-P1213 HydrophobicContact CG1-CG 4.11Å |
| 1190 | P | 75.3 | Confident | 64.5 | Low | 101 Ų | 101 | 84.8 Ų | 84.8 | 66% | 0.656 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 119.6 | -178.6 | 27.4 | -33.5 | 0 | 0 | 0 | 110.7 | ||
| 1191 | L | 67 | Low | 61.6 | Low | 78 Ų | 78 | 90.4 Ų | 90.4 | 41% | 0.408 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 142.7 | 174.8 | -84.9 | 168.3 | 0 | 0 | 0 | 112 | L1175 N1186 V1189 K1193 A1205 | L1175-L1191 HydrophobicContact CD1-CD2 3.97Å; N1186-L1191 WeakPolarHBondContact OD1-CD2 3.49Å; N1186-L1191 WeakPolarHBondContact OD1-CG 3.33Å; V1189-L1191 PolarHBondContact O-N 3.41Å; L1191-K1193 PolarHBondContact O-N 2.83Å; L1191-A1205 HydrophobicContact CD2-CB 3.87Å |
| 1192 | P | 60 | Low | 58.7 | Low | 49 Ų | 49 | 92.2 Ų | 92.2 | 32% | 0.318 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -55.2 | 121.2 | 173.4 | -27.1 | 36.3 | 0 | 0 | 0 | 112 | S1194 V1208 F1210 | P1192-S1194 PolarHBondContact O-N 2.82Å; P1192-V1208 HydrophobicContact CB-CB 4.14Å; P1192-V1208 HydrophobicContact CB-CG1 3.53Å; P1192-V1208 HydrophobicContact CG-CB 4.18Å; P1192-V1208 HydrophobicContact CG-CG1 3.94Å; P1192-F1210 HydrophobicContact CG-CD2 4.3Å |
| 1193 | K | 50 | Low | 55.8 | Low | 211 Ų | 211 | 101.6 Ų | 101.6 | 92% | 0.917 | 59% | 0.585 | S | S | * | * | trans | -74.2 | 90.5 | -177.7 | -68.9 | -171.7 | 177.7 | -175.2 | 0 | 111.7 | L1191 | L1191-K1193 PolarHBondContact O-N 2.83Š| ||
| 1194 | S | 43.6 | Very low | 53.3 | Low | 109 Ų | 109 | 106.2 Ų | 106.2 | 76% | 0.762 | 61% | 0.609 | S | S | * | * | trans | -62 | 144.8 | 158.6 | -167.7 | 0 | 0 | 0 | 0 | 110.1 | P1192 | P1192-S1194 PolarHBondContact O-N 2.82Š| ||
| 1195 | G | 34.3 | Very low | 51 | Low | 65 Ų | 65 | 107.9 Ų | 107.9 | 67% | 0.67 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -83.5 | 123.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1196 | S | 31.1 | Very low | 49.1 | Very low | 124 Ų | 124 | 112.6 Ų | 112.6 | 87% | 0.867 | 64% | 0.644 | S | S | * | * | trans | 50.6 | 80.2 | 159.7 | -60.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1197 | Q | 33.1 | Very low | 47.7 | Very low | 193 Ų | 193 | 113.2 Ų | 113.2 | 90% | 0.902 | 65% | 0.647 | S | S | * | * | trans | -128.2 | 158.1 | 147.7 | -76.4 | -155.5 | -28.9 | 0 | 0 | 111.7 | ||||
| 1198 | K | 33.9 | Very low | 46.8 | Very low | 209 Ų | 209 | 113.1 Ų | 113.1 | 91% | 0.909 | 63% | 0.63 | S | S | * | * | trans | -78.8 | 171.8 | -176 | -71.6 | -179.5 | 175.5 | 179.2 | 0 | 111.6 | ||||
| 1199 | K | 30.7 | Very low | 46.6 | Very low | 217 Ų | 217 | 113.2 Ų | 113.2 | 94% | 0.943 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -44.5 | 142 | 175.8 | -58.4 | 177.5 | 179.2 | -179.3 | 0 | 112.6 | ||
| 1200 | G | 29.2 | Very low | 46.6 | Very low | 82 Ų | 82 | 113.3 Ų | 113.3 | 85% | 0.845 | 62% | 0.624 | S | S | * | * | trans | 99.5 | 65.3 | 153.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1201 | S | 29.7 | Very low | 47.2 | Very low | 123 Ų | 123 | 109.6 Ų | 109.6 | 86% | 0.86 | 60% | 0.599 | S | S | * | * | trans | -157.9 | 154.1 | 144.3 | -153.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1202 | S | 29.1 | Very low | 48.1 | Very low | 79 Ų | 79 | 105.9 Ų | 105.9 | 55% | 0.552 | 58% | 0.579 | S | S | * | * | trans | -96.3 | 175.8 | 177.4 | -165.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1203 | W | 28.9 | Very low | 49.2 | Very low | 219 Ų | 219 | 106.3 Ų | 106.3 | 83% | 0.83 | 58% | 0.582 | S | S | * | * | trans | 59 | 53.2 | 161.6 | -58.5 | 114.3 | 0 | 0 | 0 | 118.8 | ||||
| 1204 | Q | 35 | Very low | 50.9 | Low | 157 Ų | 157 | 99.2 Ų | 99.2 | 73% | 0.734 | 55% | 0.554 | S | S | * | * | trans | -124.2 | 2.7 | 169.1 | -71.3 | -155.9 | -7.1 | 0 | 0 | 118 | K1206 R1428 | Q1204-K1206 PolarHBondContact O-N 2.8Å; Q1204-R1428 PolarHBondContact O-NH2 3.45Å | ||
| 1205 | A | 40.5 | Very low | 53 | Low | 38 Ų | 38 | 94.2 Ų | 94.2 | 31% | 0.314 | 52% | 0.519 | S | S | . | . | G | 310 helix | trans | -74.3 | -11.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | L1191 D1207 | L1191-A1205 HydrophobicContact CD2-CB 3.87Å; A1205-D1207 PolarHBondContact O-N 2.9Å |
| 1206 | K | 46.9 | Very low | 55.4 | Low | 113 Ų | 113 | 94.7 Ų | 94.7 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -62.3 | -23.4 | -165.2 | -96.9 | -167.1 | 170 | -166.9 | 0 | 116.6 | F1173 Q1204 D1478 | F1173-K1206 HydrophobicContact CE2-CG 3.99Å; F1173-K1206 HydrophobicContact CZ-CG 3.77Å; Q1204-K1206 PolarHBondContact O-N 2.8Å; K1206-D1478 IonicContact NZ-OD1 3.23Å; K1206-D1478 IonicContact NZ-OD2 2.73Å; K1206-D1478 PolarHBondContact NZ-OD2 3.29Å |
| 1207 | D | 54.9 | Low | 58 | Low | 68 Ų | 68 | 89.5 Ų | 89.5 | 36% | 0.364 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -118.5 | 32.8 | -166.9 | -24.4 | -42.5 | 0 | 0 | 0 | 116 | A1205 R1428 | A1205-D1207 PolarHBondContact O-N 2.9Å; D1207-R1428 IonicContact OD1-CZ 3.71Å; D1207-R1428 IonicContact OD1-NE 3.78Å; D1207-R1428 PolarHBondContact OD1-NE 2.9Å; D1207-R1428 IonicContact OD1-NH2 2.73Å; D1207-R1428 PolarHBondContact OD1-NH2 2.92Å; D1207-R1428 IonicContact OD2-CZ 2.77Å; D1207-R1428 IonicContact OD2-NE 3.16Å; D1207-R1428 PolarHBondContact OD2-NE 2.77Å; D1207-R1428 IonicContact OD2-NH2 2.76Å; D1207-R1428 PolarHBondContact OD2-NH2 2.87Å |
| 1208 | V | 63.8 | Low | 60.6 | Low | 80 Ų | 80 | 80.4 Ų | 80.4 | 49% | 0.485 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -115.7 | 124.6 | 177.8 | -167.9 | 0 | 0 | 0 | 0 | 111.5 | P1192 F1210 | P1192-V1208 HydrophobicContact CB-CB 4.14Å; P1192-V1208 HydrophobicContact CB-CG1 3.53Å; P1192-V1208 HydrophobicContact CG-CB 4.18Å; P1192-V1208 HydrophobicContact CG-CG1 3.94Å; V1208-F1210 PolarHBondContact O-N 2.97Å |
| 1209 | K | 77.9 | Confident | 63.2 | Low | 53 Ų | 53 | 76.5 Ų | 76.5 | 23% | 0.23 | 40% | 0.403 | C | S | . | . | trans | -48.2 | 110.9 | 178.2 | -166.9 | -176.7 | -174 | -174.2 | 0 | 111.2 | E1178 M1449 D1453 W1466 | E1178-K1209 HydrophobicContact CG-CG 3.92Å; K1209-M1449 PolarHBondContact NZ-SD 3.49Å; K1209-D1453 WeakPolarHBondContact CE-OD2 3.37Å; K1209-D1453 IonicContact NZ-OD1 2.75Å; K1209-D1453 PolarHBondContact NZ-OD1 2.95Å; K1209-D1453 IonicContact NZ-OD2 2.66Å; K1209-D1453 PolarHBondContact NZ-OD2 2.85Å; K1209-W1466 HydrophobicContact CB-CD2 4.12Å; K1209-W1466 HydrophobicContact CB-CH2 4.28Å; K1209-W1466 HydrophobicContact CB-CZ2 3.75Å; K1209-W1466 HydrophobicContact CD-CD2 4.32Å; K1209-W1466 HydrophobicContact CD-CG 3.99Å; K1209-W1466 HydrophobicContact CG-CD2 4.27Å; K1209-W1466 HydrophobicContact CG-CG 4.3Å; K1209-W1466 HydrophobicContact CG-CZ2 4.39Å | ||
| 1210 | F | 85 | Confident | 66 | Low | 12 Ų | 12 | 68 Ų | 68 | 5% | 0.053 | 37% | 0.365 | C | S | . | . | trans | -104.3 | 126.4 | -174.9 | 177.1 | -110.8 | 0 | 0 | 0 | 111.6 | L1175 Q1176 C1177 E1178 F1184 V1189 P1192 V1208 C1212 | L1175-F1210 HydrophobicContact CB-CD1 3.77Å; L1175-F1210 HydrophobicContact CB-CE1 3.94Å; L1175-F1210 HydrophobicContact CB-CG 4.24Å; L1175-F1210 HydrophobicContact CD1-CD2 4.42Å; L1175-F1210 HydrophobicContact CD1-CE2 4.44Å; Q1176-F1210 WeakPolarHBondContact O-CD1 3.05Å; C1177-F1210 HydrophobicContact CB-CD1 4.46Å; C1177-F1210 HydrophobicContact CB-CE1 4.43Å; E1178-F1210 PolarHBondContact N-O 3.3Å; F1184-F1210 HydrophobicContact CB-CE1 4.34Å; F1184-F1210 AromaticContact CD2-CE1 3.95Å; F1184-F1210 HydrophobicContact CD2-CE1 3.95Å; F1184-F1210 HydrophobicContact CG-CE1 4.33Å; V1189-F1210 HydrophobicContact CB-CE2 4.2Å; V1189-F1210 HydrophobicContact CB-CZ 3.77Å; V1189-F1210 HydrophobicContact CG1-CZ 4.13Å; V1189-F1210 HydrophobicContact CG2-CE1 4.33Å; V1189-F1210 HydrophobicContact CG2-CE2 4Å; V1189-F1210 HydrophobicContact CG2-CZ 3.52Å; P1192-F1210 HydrophobicContact CG-CD2 4.3Å; V1208-F1210 PolarHBondContact O-N 2.97Å; F1210-C1212 HydrophobicContact CE1-CB 3.92Å; F1210-C1212 HydrophobicContact CZ-CB 3.96Å | ||
| 1211 | L | 86.1 | Confident | 69 | Low | 22 Ų | 22 | 64.8 Ų | 64.8 | 12% | 0.115 | 33% | 0.33 | C | S | . | . | trans | -114.5 | 125.5 | 164.7 | -64.7 | 178.2 | 0 | 0 | 0 | 107.8 | E1178 L1179 C1215 M1216 | E1178-L1211 HydrophobicContact CB-CD2 4.12Å; L1179-L1211 HydrophobicContact CB-CD2 3.63Å; L1211-C1215 HydrophobicContact CB-CB 4.32Å; L1211-C1215 HydrophobicContact CD2-CB 4.49Å; L1211-M1216 HydrophobicContact CB-CB 4.31Å; L1211-M1216 HydrophobicContact CB-CE 4.13Å; L1211-M1216 WeakPolarHBondContact O-CE 3.37Å | ||
| 1212 | C | 86.4 | Confident | 72 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | trans | -66.4 | 163.1 | 178.4 | 74.9 | 0 | 0 | 0 | 0 | 111.5 | C1177 F1184 F1210 L1214 C1215 M1216 | C1177-C1212 HydrophobicContact CB-CB 3.92Å; C1177-C1212 PolarHBondContact SG-N 2.9Å; C1177-C1212 VanDerWaalsContact SG-SG 3.6Å; F1184-C1212 HydrophobicContact CD1-CB 4.19Å; F1184-C1212 HydrophobicContact CD2-CB 3.74Å; F1184-C1212 HydrophobicContact CE1-CB 3.87Å; F1184-C1212 HydrophobicContact CE2-CB 3.38Å; F1184-C1212 HydrophobicContact CG-CB 4.16Å; F1184-C1212 HydrophobicContact CZ-CB 3.47Å; F1184-C1212 VanDerWaalsContact CZ-CB 3.47Å; F1184-C1212 WeakPolarHBondContact CZ-SG 3.19Å; F1210-C1212 HydrophobicContact CE1-CB 3.92Å; F1210-C1212 HydrophobicContact CZ-CB 3.96Å; C1212-L1214 PolarHBondContact O-N 3Å; C1212-L1214 VanDerWaalsContact O-N 3.12Å; C1212-C1215 WeakPolarHBondContact O-CA 3.45Å; C1212-C1215 PolarHBondContact O-N 2.65Å; C1212-C1215 VanDerWaalsContact SG-SG 3.6Å; C1212-M1216 PolarHBondContact O-N 2.71Å; C1212-M1216 VanDerWaalsContact O-N 3.16Å | ||
| 1213 | P | 83.9 | Confident | 74.9 | Confident | 58 Ų | 58 | 61 Ų | 61 | 38% | 0.377 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -52.1 | -38.8 | -178.1 | -29.8 | 36.9 | 0 | 0 | 0 | 114.2 | V1189 M1216 | V1189-P1213 HydrophobicContact CG1-CG 4.11Å; P1213-M1216 PolarHBondContact O-N 3.23Å |
| 1214 | L | 84.4 | Confident | 77.8 | Confident | 62 Ų | 62 | 56.9 Ų | 56.9 | 33% | 0.325 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -68.6 | -32.4 | 177.4 | -52.6 | 173.5 | 0 | 0 | 0 | 112.5 | R1077 Y1083 I1165 C1212 | R1077-L1214 PolarHBondContact NH1-O 3.11Å; Y1083-L1214 HydrophobicContact CD1-CD1 4.21Å; Y1083-L1214 HydrophobicContact CD1-CD2 4.09Å; Y1083-L1214 HydrophobicContact CD2-CD1 3.84Å; Y1083-L1214 HydrophobicContact CE1-CB 4.43Å; Y1083-L1214 HydrophobicContact CE1-CD2 4.19Å; Y1083-L1214 HydrophobicContact CE2-CB 4.26Å; Y1083-L1214 HydrophobicContact CE2-CD1 4.2Å; Y1083-L1214 HydrophobicContact CG-CD1 3.86Å; I1165-L1214 HydrophobicContact CG2-CD1 4.46Å; C1212-L1214 PolarHBondContact O-N 3Å; C1212-L1214 VanDerWaalsContact O-N 3.12Å |
| 1215 | C | 88 | Confident | 80.5 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 3% | 0.027 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -83.1 | -9 | 178.4 | -75 | 0 | 0 | 0 | 0 | 113.7 | R1077 C1177 L1179 C1180 L1211 C1212 | R1077-C1215 PolarHBondContact NH2-O 2.7Å; C1177-C1215 VanDerWaalsContact SG-CB 3.56Å; C1177-C1215 PolarHBondContact SG-SG 3.49Å; L1179-C1215 HydrophobicContact CB-CB 4.01Å; L1179-C1215 HydrophobicContact CD2-CB 3.91Å; L1179-C1215 HydrophobicContact CG-CB 4.38Å; C1180-C1215 VanDerWaalsContact CB-SG 3.57Å; L1211-C1215 HydrophobicContact CB-CB 4.32Å; L1211-C1215 HydrophobicContact CD2-CB 4.49Å; C1212-C1215 WeakPolarHBondContact O-CA 3.45Å; C1212-C1215 PolarHBondContact O-N 2.65Å; C1212-C1215 VanDerWaalsContact SG-SG 3.6Å |
| 1216 | M | 85.1 | Confident | 83 | Confident | 76 Ų | 76 | 50.7 Ų | 50.7 | 37% | 0.374 | 25% | 0.245 | S | C | . | . | trans | -116.2 | 81 | -173.5 | -164.6 | -162.2 | -63.2 | 0 | 0 | 110.9 | K1063 L1211 C1212 P1213 | K1063-M1216 WeakPolarHBondContact CE-O 3.31Å; K1063-M1216 VanDerWaalsContact NZ-CG 3.32Å; K1063-M1216 PolarHBondContact NZ-O 3.21Å; K1063-M1216 PolarHBondContact NZ-SD 3.46Å; L1211-M1216 HydrophobicContact CB-CB 4.31Å; L1211-M1216 HydrophobicContact CB-CE 4.13Å; L1211-M1216 WeakPolarHBondContact O-CE 3.37Å; C1212-M1216 PolarHBondContact O-N 2.71Å; C1212-M1216 VanDerWaalsContact O-N 3.16Å; P1213-M1216 PolarHBondContact O-N 3.23Å | ||
| 1217 | R | 85.2 | Confident | 85.2 | Confident | 14 Ų | 14 | 49 Ų | 49 | 5% | 0.053 | 24% | 0.241 | C | C | . | . | trans | -77.5 | -45 | -174.5 | -64.9 | 172.3 | 82 | -132.8 | 13.1 | 113 | Q1072 R1077 D1079 | Q1072-R1217 PolarHBondContact O-NH1 3.02Å; Q1072-R1217 PolarHBondContact O-NH2 3.13Å; R1077-R1217 VanDerWaalsContact NE-CD 3.33Å; D1079-R1217 IonicContact OD1-NE 2.66Å | ||
| 1218 | S | 88.7 | Confident | 86.9 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -109.9 | -173.1 | -172.7 | 82.9 | 0 | 0 | 0 | 0 | 114.9 | F1061 K1063 V1073 R1220 E1456 | F1061-S1218 CarbonylContact O-C 3.55Å; F1061-S1218 WeakPolarHBondContact O-CA 3.22Å; F1061-S1218 WeakPolarHBondContact O-CB 3.41Å; K1063-S1218 WeakPolarHBondContact CE-O 3.3Å; V1073-S1218 VanDerWaalsContact CG1-CB 3.47Å; S1218-R1220 WeakPolarHBondContact OG-CG 3.49Å; S1218-R1220 PolarHBondContact OG-N 2.82Å; S1218-E1456 WeakPolarHBondContact CB-OE2 3.25Å; S1218-E1456 PolarHBondContact N-OE2 2.83Å; S1218-E1456 VanDerWaalsContact N-OE2 3.07Å; S1218-E1456 WeakPolarHBondContact OG-CB 3.44Å; S1218-E1456 PolarHBondContact OG-OE2 3.1Å |
| 1219 | R | 87.7 | Confident | 88.4 | Confident | 126 Ų | 126 | 46.2 Ų | 46.2 | 48% | 0.475 | 23% | 0.23 | S | C | . | . | trans | -83.9 | -15.4 | 165.3 | -75.9 | -177 | 164.6 | 152.7 | 3 | 115 | R1059 F1061 L1062 K1063 | R1059-R1219 PolarHBondContact O-NH1 3.02Å; F1061-R1219 PolarHBondContact O-N 3.28Å; L1062-R1219 WeakPolarHBondContact O-CD 3.14Å; L1062-R1219 PolarHBondContact O-NE 2.78Å; L1062-R1219 VanDerWaalsContact O-NE 3.14Å; L1062-R1219 PolarHBondContact O-NH1 2.84Å; K1063-R1219 HydrophobicContact CG-CG 4.26Å | ||
| 1220 | R | 90.1 | Very high | 89.1 | Confident | 38 Ų | 38 | 45 Ų | 45 | 14% | 0.143 | 23% | 0.226 | C | C | . | . | trans | 52.6 | 74.2 | -175.8 | -56.4 | -162.2 | 175.5 | -167.4 | -0.6 | 113.6 | S1218 D1453 L1455 E1456 S1458 | S1218-R1220 WeakPolarHBondContact OG-CG 3.49Å; S1218-R1220 PolarHBondContact OG-N 2.82Å; R1220-D1453 PolarHBondContact NH1-O 3.49Å; R1220-D1453 PolarHBondContact NH2-O 3.37Å; R1220-L1455 PolarHBondContact NE-O 2.75Å; R1220-L1455 PolarHBondContact NH1-O 3.12Å; R1220-E1456 IonicContact CZ-OE1 2.81Å; R1220-E1456 IonicContact CZ-OE2 2.76Å; R1220-E1456 IonicContact NE-OE1 3.72Å; R1220-E1456 IonicContact NE-OE2 2.65Å; R1220-E1456 PolarHBondContact NE-OE2 2.86Å; R1220-E1456 IonicContact NH2-OE1 3.97Å; R1220-E1456 PolarHBondContact NH2-OE1 2.79Å; R1220-E1456 IonicContact NH2-OE2 3.7Å; R1220-E1456 PolarHBondContact NH2-OE2 2.85Å; R1220-S1458 WeakPolarHBondContact O-CB 3.42Å | ||
| 1221 | P | 92 | Very high | 89.4 | Confident | 15 Ų | 15 | 48.5 Ų | 48.5 | 10% | 0.097 | 25% | 0.248 | C | C | . | . | trans | -63.2 | 159.9 | 174.2 | 29.6 | -37 | 0 | 0 | 0 | 112.1 | T1060 F1061 I1226 S1458 | T1060-P1221 HydrophobicContact CG2-CB 3.67Å; T1060-P1221 HydrophobicContact CG2-CG 3.93Å; F1061-P1221 HydrophobicContact CD1-CG 3.87Å; F1061-P1221 HydrophobicContact CD2-CG 4.32Å; F1061-P1221 HydrophobicContact CE1-CG 3.59Å; F1061-P1221 HydrophobicContact CE2-CG 4.06Å; F1061-P1221 HydrophobicContact CG-CG 4.24Å; F1061-P1221 HydrophobicContact CZ-CG 3.71Å; P1221-I1226 HydrophobicContact CG-CD1 4.17Å; P1221-I1226 HydrophobicContact CG-CG1 4.01Å; P1221-S1458 PolarHBondContact O-N 2.98Å | ||
| 1222 | R | 92 | Very high | 89.7 | Confident | 101 Ų | 101 | 48.7 Ų | 48.7 | 38% | 0.381 | 25% | 0.251 | S | S | . | . | B | Isolated β-bridge | trans | -69.6 | 146.6 | 168.8 | -77.8 | -176.1 | 169.6 | -90.5 | -20.5 | 110.2 | E1224 T1225 I1226 D1460 | R1222-E1224 PolarHBondContact O-N 3.17Å; R1222-T1225 VanDerWaalsContact O-CB 3.3Å; R1222-T1225 WeakPolarHBondContact O-CB 3.43Å; R1222-T1225 PolarHBondContact O-N 3.28Å; R1222-T1225 PolarHBondContact O-OG1 3.33Å; R1222-I1226 PolarHBondContact O-N 2.88Å; R1222-D1460 IonicContact CZ-OD1 3.47Å; R1222-D1460 IonicContact CZ-OD2 2.63Å; R1222-D1460 IonicContact NH1-OD1 3.56Å; R1222-D1460 IonicContact NH1-OD2 2.81Å; R1222-D1460 PolarHBondContact NH1-OD2 2.8Å; R1222-D1460 IonicContact NH2-OD1 2.67Å; R1222-D1460 PolarHBondContact NH2-OD1 3.03Å; R1222-D1460 IonicContact NH2-OD2 3.85Å; R1222-D1460 PolarHBondContact NH2-OD2 3.21Å |
| 1223 | L | 90.8 | Very high | 89.9 | Confident | 21 Ų | 21 | 49.9 Ų | 49.9 | 11% | 0.11 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -52.6 | -39.9 | 179 | -174.7 | 62.3 | 0 | 0 | 0 | 113 | T1225 I1226 L1227 T1250 A1253 M1254 V1457 L1459 | L1223-T1225 PolarHBondContact O-N 3.1Å; L1223-I1226 HydrophobicContact CD1-CD1 4.5Å; L1223-I1226 WeakPolarHBondContact O-CB 3.46Å; L1223-I1226 PolarHBondContact O-N 2.86Å; L1223-L1227 PolarHBondContact O-N 3.36Å; L1223-L1227 VanDerWaalsContact O-N 3.1Å; L1223-T1250 HydrophobicContact CD1-CG2 4.2Å; L1223-A1253 HydrophobicContact CD1-CB 4.32Å; L1223-M1254 HydrophobicContact CD1-CG 4.41Å; L1223-M1254 HydrophobicContact CD2-CG 3.96Å; L1223-V1457 HydrophobicContact CB-CG1 4.44Å; L1223-L1459 HydrophobicContact CB-CD2 4.02Å; L1223-L1459 HydrophobicContact CD2-CD2 4.36Å |
| 1224 | E | 90.1 | Very high | 90.1 | Very high | 134 Ų | 134 | 55.1 Ų | 55.1 | 63% | 0.626 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -49.3 | -40.2 | 172 | -62.6 | 155.6 | -171.2 | 0 | 0 | 113.3 | R1222 | R1222-E1224 PolarHBondContact O-N 3.17Å |
| 1225 | T | 91.6 | Very high | 90.3 | Very high | 64 Ų | 64 | 60 Ų | 60 | 39% | 0.393 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -74.1 | -30.7 | -179.6 | -47.6 | 0 | 0 | 0 | 0 | 111.5 | T1060 R1222 L1223 | T1060-T1225 HydrophobicContact CG2-CG2 3.85Å; R1222-T1225 VanDerWaalsContact O-CB 3.3Å; R1222-T1225 WeakPolarHBondContact O-CB 3.43Å; R1222-T1225 PolarHBondContact O-N 3.28Å; R1222-T1225 PolarHBondContact O-OG1 3.33Å; L1223-T1225 PolarHBondContact O-N 3.1Å |
| 1226 | I | 93.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -71.4 | -45.4 | 179.4 | -56.5 | 178.5 | 0 | 0 | 0 | 110.3 | F1061 P1221 R1222 L1223 S1228 L1229 L1230 L1246 T1250 V1457 | F1061-I1226 HydrophobicContact CE1-CD1 4.24Å; F1061-I1226 HydrophobicContact CE2-CG1 4.34Å; F1061-I1226 HydrophobicContact CZ-CD1 3.75Å; F1061-I1226 HydrophobicContact CZ-CG1 3.75Å; F1061-I1226 HydrophobicContact CZ-CG2 4.4Å; P1221-I1226 HydrophobicContact CG-CD1 4.17Å; P1221-I1226 HydrophobicContact CG-CG1 4.01Å; R1222-I1226 PolarHBondContact O-N 2.88Å; L1223-I1226 HydrophobicContact CD1-CD1 4.5Å; L1223-I1226 WeakPolarHBondContact O-CB 3.46Å; L1223-I1226 PolarHBondContact O-N 2.86Å; I1226-S1228 VanDerWaalsContact C-N 3.26Å; I1226-S1228 PolarHBondContact O-N 3.47Å; I1226-L1229 WeakPolarHBondContact O-CB 3.16Å; I1226-L1229 PolarHBondContact O-N 3.11Å; I1226-L1230 PolarHBondContact O-N 3.17Å; I1226-L1246 HydrophobicContact CG2-CD1 3.83Å; I1226-L1246 HydrophobicContact CG2-CG 4.19Å; I1226-T1250 VanDerWaalsContact CG2-OG1 3.24Å; I1226-T1250 WeakPolarHBondContact CG2-OG1 3.42Å; I1226-V1457 HydrophobicContact CD1-CB 4.24Å; I1226-V1457 HydrophobicContact CD1-CG1 3.69Å; I1226-V1457 HydrophobicContact CD1-CG2 3.58Å |
| 1227 | L | 91.7 | Very high | 90.3 | Very high | 78 Ų | 78 | 59.9 Ų | 59.9 | 41% | 0.408 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.9 | -38.3 | 178.7 | -65.1 | 171.2 | 0 | 0 | 0 | 112.3 | L1223 L1229 L1230 V1231 T1250 | L1223-L1227 PolarHBondContact O-N 3.36Å; L1223-L1227 VanDerWaalsContact O-N 3.1Å; L1227-L1229 VanDerWaalsContact C-N 3.3Å; L1227-L1229 PolarHBondContact O-N 3.3Å; L1227-L1230 PolarHBondContact O-N 3.36Å; L1227-V1231 PolarHBondContact O-N 2.95Å; L1227-T1250 HydrophobicContact CD2-CG2 3.89Å |
| 1228 | S | 92.4 | Very high | 90.4 | Very high | 84 Ų | 84 | 59.4 Ų | 59.4 | 59% | 0.587 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -62.2 | -33.3 | 175 | -174.4 | 0 | 0 | 0 | 0 | 113.5 | I1226 S1232 | I1226-S1228 VanDerWaalsContact C-N 3.26Å; I1226-S1228 PolarHBondContact O-N 3.47Å; S1228-S1232 PolarHBondContact O-N 2.87Å |
| 1229 | L | 93.7 | Very high | 90.3 | Very high | 6 Ų | 6 | 62 Ų | 62 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -72.1 | -39.5 | 178 | -66.2 | 168.7 | 0 | 0 | 0 | 111.5 | W1053 R1056 T1057 T1060 F1061 I1226 L1227 S1232 L1233 L1246 | W1053-L1229 PolarHBondContact NE1-O 2.92Å; R1056-L1229 HydrophobicContact CG-CD2 3.87Å; T1057-L1229 HydrophobicContact CG2-CD1 4.16Å; T1060-L1229 HydrophobicContact CG2-CD1 4.05Å; F1061-L1229 HydrophobicContact CE2-CD1 4.31Å; I1226-L1229 WeakPolarHBondContact O-CB 3.16Å; I1226-L1229 PolarHBondContact O-N 3.11Å; L1227-L1229 VanDerWaalsContact C-N 3.3Å; L1227-L1229 PolarHBondContact O-N 3.3Å; L1229-S1232 PolarHBondContact O-N 3.39Å; L1229-S1232 VanDerWaalsContact O-N 3.12Å; L1229-S1232 PolarHBondContact O-OG 3.48Å; L1229-L1233 PolarHBondContact O-N 3.12Å; L1229-L1246 HydrophobicContact CB-CD2 3.82Å |
| 1230 | L | 93.1 | Very high | 90.3 | Very high | 28 Ų | 28 | 56 Ų | 56 | 15% | 0.147 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 175.4 | -69.3 | 175.9 | 0 | 0 | 0 | 112.6 | I1226 L1227 S1232 L1233 Q1234 L1246 Q1247 T1250 | I1226-L1230 PolarHBondContact O-N 3.17Å; L1227-L1230 PolarHBondContact O-N 3.36Å; L1230-S1232 PolarHBondContact O-N 3.48Å; L1230-L1233 HydrophobicContact CD2-CD2 4.44Å; L1230-L1233 WeakPolarHBondContact O-CB 3.49Å; L1230-L1233 PolarHBondContact O-N 3.49Å; L1230-Q1234 PolarHBondContact O-N 2.86Å; L1230-L1246 HydrophobicContact CD2-CB 4.08Å; L1230-L1246 HydrophobicContact CD2-CD2 3.84Å; L1230-L1246 HydrophobicContact CD2-CG 3.87Å; L1230-L1246 HydrophobicContact CG-CD2 4.16Å; L1230-L1246 HydrophobicContact CG-CG 4.3Å; L1230-Q1247 HydrophobicContact CD2-CB 4.5Å; L1230-Q1247 HydrophobicContact CD2-CG 3.57Å; L1230-T1250 HydrophobicContact CD1-CG2 4.02Å |
| 1231 | V | 92.3 | Very high | 90.1 | Very high | 84 Ų | 84 | 55.3 Ų | 55.3 | 51% | 0.509 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.5 | -26.2 | 175 | 175.3 | 0 | 0 | 0 | 0 | 112.2 | L1227 | L1227-V1231 PolarHBondContact O-N 2.95Å |
| 1232 | S | 90.8 | Very high | 90 | Very high | 27 Ų | 27 | 55.5 Ų | 55.5 | 19% | 0.189 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -86.2 | -19.3 | 174.2 | 71.7 | 0 | 0 | 0 | 0 | 114.7 | W1053 S1228 L1229 L1230 | W1053-S1232 VanDerWaalsContact CD1-OG 3.24Å; W1053-S1232 PolarHBondContact NE1-OG 3.12Å; S1228-S1232 PolarHBondContact O-N 2.87Å; L1229-S1232 PolarHBondContact O-N 3.39Å; L1229-S1232 VanDerWaalsContact O-N 3.12Å; L1229-S1232 PolarHBondContact O-OG 3.48Å; L1230-S1232 PolarHBondContact O-N 3.48Å |
| 1233 | L | 92 | Very high | 89.9 | Confident | 25 Ų | 25 | 50.8 Ų | 50.8 | 13% | 0.131 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.1 | -42.5 | 174 | 178.5 | 66.3 | 0 | 0 | 0 | 111.1 | W1053 L1229 L1230 K1235 L1236 L1240 G1243 | W1053-L1233 HydrophobicContact CD2-CD1 4.15Å; W1053-L1233 HydrophobicContact CE3-CD1 4.31Å; W1053-L1233 HydrophobicContact CH2-CD1 4.13Å; W1053-L1233 HydrophobicContact CZ2-CB 3.95Å; W1053-L1233 HydrophobicContact CZ2-CD1 3.91Å; W1053-L1233 HydrophobicContact CZ2-CD2 4.32Å; W1053-L1233 HydrophobicContact CZ2-CG 4.28Å; W1053-L1233 HydrophobicContact CZ3-CD1 4.31Å; L1229-L1233 PolarHBondContact O-N 3.12Å; L1230-L1233 HydrophobicContact CD2-CD2 4.44Å; L1230-L1233 WeakPolarHBondContact O-CB 3.49Å; L1230-L1233 PolarHBondContact O-N 3.49Å; L1233-K1235 PolarHBondContact O-N 3.47Å; L1233-L1236 HydrophobicContact CD1-CD1 4.39Å; L1233-L1236 PolarHBondContact O-N 3.47Å; L1233-L1236 VanDerWaalsContact O-N 3.17Å; L1233-L1240 HydrophobicContact CD1-CD1 4.26Å; L1233-G1243 VanDerWaalsContact CD2-CA 3.43Å |
| 1234 | Q | 88.6 | Confident | 89.9 | Confident | 167 Ų | 167 | 50.8 Ų | 50.8 | 78% | 0.78 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -4.8 | -179.1 | -69.2 | 179 | -20.5 | 0 | 0 | 115.2 | L1230 | L1230-Q1234 PolarHBondContact O-N 2.86Š|
| 1235 | K | 88.3 | Confident | 89.8 | Confident | 166 Ų | 166 | 44.4 Ų | 44.4 | 72% | 0.722 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | 5.2 | -178.3 | -58.6 | -172.5 | -179.4 | -173.2 | 0 | 113.7 | L1233 | L1233-K1235 PolarHBondContact O-N 3.47Š|
| 1236 | L | 87.8 | Confident | 89.9 | Confident | 31 Ų | 31 | 41.4 Ų | 41.4 | 16% | 0.162 | 22% | 0.217 | C | C | . | . | trans | -100.8 | 128.3 | -177 | -64.7 | 175 | 0 | 0 | 0 | 111.8 | A1049 W1053 L1233 V1238 L1240 | A1049-L1236 HydrophobicContact CB-CD2 3.79Å; W1053-L1236 HydrophobicContact CB-CD1 3.72Å; W1053-L1236 HydrophobicContact CD2-CD1 4.48Å; W1053-L1236 HydrophobicContact CG-CD1 3.89Å; L1233-L1236 HydrophobicContact CD1-CD1 4.39Å; L1233-L1236 PolarHBondContact O-N 3.47Å; L1233-L1236 VanDerWaalsContact O-N 3.17Å; L1236-V1238 HydrophobicContact CB-CG1 4.05Å; L1236-V1238 PolarHBondContact O-N 3.27Å; L1236-L1240 HydrophobicContact CD1-CD1 3.9Å | ||
| 1237 | P | 84.9 | Confident | 89.8 | Confident | 46 Ų | 46 | 45.3 Ų | 45.3 | 30% | 0.299 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -82.5 | 40.9 | 176 | 36.7 | -37.8 | 0 | 0 | 0 | 112 | Y1017 Q1046 | Y1017-P1237 VanDerWaalsContact CD1-C 3.47Å; Y1017-P1237 HydrophobicContact CD1-CB 4.02Å; Y1017-P1237 WeakPolarHBondContact CD1-O 3.39Å; Y1017-P1237 HydrophobicContact CE1-CB 3.68Å; Q1046-P1237 HydrophobicContact CG-CG 4.24Å |
| 1238 | V | 86.1 | Confident | 89.8 | Confident | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.024 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -165.7 | 135.8 | -169.3 | 46.1 | 0 | 0 | 0 | 0 | 109 | A1018 L1020 L1023 A1050 L1236 | A1018-V1238 WeakPolarHBondContact O-CA 3.48Å; L1020-V1238 HydrophobicContact CB-CG2 4.15Å; L1020-V1238 HydrophobicContact CD1-CG2 4.44Å; L1023-V1238 HydrophobicContact CD1-CB 4.09Å; L1023-V1238 HydrophobicContact CD1-CG2 3.89Å; A1050-V1238 HydrophobicContact CB-CG1 3.77Å; A1050-V1238 HydrophobicContact CB-CG2 4.32Å; L1236-V1238 HydrophobicContact CB-CG1 4.05Å; L1236-V1238 PolarHBondContact O-N 3.27Å |
| 1239 | R | 87.6 | Confident | 89.8 | Confident | 56 Ų | 56 | 38.7 Ų | 38.7 | 21% | 0.211 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -92.4 | 150.7 | -178.7 | -62.5 | -143.2 | -70.6 | 144.2 | -9 | 112.6 | A1018 Y1019 L1020 R1121 E1244 | A1018-R1239 PolarHBondContact O-N 2.78Å; Y1019-R1239 WeakPolarHBondContact CA-O 3.25Å; Y1019-R1239 HydrophobicContact CD1-CB 3.82Å; Y1019-R1239 HydrophobicContact CE1-CB 3.89Å; Y1019-R1239 HydrophobicContact CG-CB 4.29Å; Y1019-R1239 VanDerWaalsContact OH-CZ 3.22Å; Y1019-R1239 PolarHBondContact OH-NH1 3.31Å; Y1019-R1239 PolarHBondContact OH-NH2 2.98Å; L1020-R1239 PolarHBondContact N-O 3.11Å; L1020-R1239 VanDerWaalsContact N-O 3.08Å; R1121-R1239 PolarHBondContact O-NH2 3.34Å; R1239-E1244 IonicContact CZ-OE1 4Å; R1239-E1244 IonicContact NH1-OE1 2.75Å; R1239-E1244 PolarHBondContact NH1-OE1 3.12Å |
| 1240 | L | 88.1 | Confident | 89.7 | Confident | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | trans | -135.4 | 133.1 | 177.3 | -63.4 | 99.5 | 0 | 0 | 0 | 109.9 | L1020 A1050 W1053 R1054 L1233 L1236 E1242 G1243 | L1020-L1240 HydrophobicContact CB-CG 4.48Å; L1020-L1240 HydrophobicContact CD2-CD2 3.88Å; A1050-L1240 HydrophobicContact CB-CD1 4.17Å; A1050-L1240 HydrophobicContact CB-CD2 4.33Å; W1053-L1240 HydrophobicContact CE3-CD1 4.38Å; W1053-L1240 HydrophobicContact CE3-CD2 4.09Å; W1053-L1240 HydrophobicContact CZ3-CD2 4.44Å; R1054-L1240 HydrophobicContact CB-CD2 3.93Å; L1233-L1240 HydrophobicContact CD1-CD1 4.26Å; L1236-L1240 HydrophobicContact CD1-CD1 3.9Å; L1240-E1242 PolarHBondContact O-N 2.81Å; L1240-G1243 WeakPolarHBondContact O-CA 3.45Å; L1240-G1243 PolarHBondContact O-N 3.25Å | ||
| 1241 | P | 86 | Confident | 89.6 | Confident | 23 Ų | 23 | 42.4 Ų | 42.4 | 15% | 0.149 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.2 | -35.4 | 175.7 | -25.5 | 35.6 | 0 | 0 | 0 | 113.2 | L1071 G1243 E1244 A1245 | L1071-P1241 HydrophobicContact CD1-CB 4.24Å; L1071-P1241 HydrophobicContact CD2-CB 4.26Å; P1241-G1243 PolarHBondContact O-N 3.01Å; P1241-E1244 PolarHBondContact O-N 3.04Å; P1241-A1245 WeakPolarHBondContact O-CB 3.37Å; P1241-A1245 PolarHBondContact O-N 3.36Å; P1241-A1245 VanDerWaalsContact O-N 3.07Å |
| 1242 | E | 89.9 | Confident | 89.7 | Confident | 19 Ų | 19 | 39.3 Ų | 39.3 | 9% | 0.089 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.9 | -17.5 | 176.8 | -50.4 | 101.9 | 132.8 | 0 | 0 | 113 | W1053 R1054 L1070 L1071 L1074 L1240 L1246 | W1053-E1242 HydrophobicContact CZ3-CB 4.23Å; R1054-E1242 WeakPolarHBondContact CD-OE1 3.24Å; L1070-E1242 HydrophobicContact CB-CG 4.27Å; L1070-E1242 HydrophobicContact CD2-CB 3.92Å; L1070-E1242 HydrophobicContact CD2-CG 3.95Å; L1070-E1242 HydrophobicContact CG-CB 4.16Å; L1070-E1242 HydrophobicContact CG-CG 3.99Å; L1071-E1242 HydrophobicContact CB-CG 4.01Å; L1071-E1242 HydrophobicContact CD1-CG 4.38Å; L1074-E1242 HydrophobicContact CD1-CB 4.04Å; L1074-E1242 WeakPolarHBondContact CD1-O 3.35Å; L1240-E1242 PolarHBondContact O-N 2.81Å; E1242-L1246 VanDerWaalsContact O-CB 3.29Å; E1242-L1246 WeakPolarHBondContact O-CB 3.44Å; E1242-L1246 PolarHBondContact O-N 2.94Å; E1242-L1246 VanDerWaalsContact O-N 3.09Å |
| 1243 | G | 90 | Very high | 89.7 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -73.7 | -43.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1233 L1240 P1241 L1246 Q1247 | L1233-G1243 VanDerWaalsContact CD2-CA 3.43Å; L1240-G1243 WeakPolarHBondContact O-CA 3.45Å; L1240-G1243 PolarHBondContact O-N 3.25Å; P1241-G1243 PolarHBondContact O-N 3.01Å; G1243-L1246 PolarHBondContact O-N 2.73Å; G1243-Q1247 PolarHBondContact O-N 2.85Å; G1243-Q1247 PolarHBondContact O-NE2 3.25Å |
| 1244 | E | 88.9 | Confident | 89.8 | Confident | 22 Ų | 22 | 41.1 Ų | 41.1 | 10% | 0.103 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.5 | -41.1 | 174.8 | -44.8 | -60.6 | 177.6 | 0 | 0 | 110.2 | V1126 R1239 P1241 L1246 Q1247 C1248 | V1126-E1244 HydrophobicContact CG1-CB 4.15Å; R1239-E1244 IonicContact CZ-OE1 4Å; R1239-E1244 IonicContact NH1-OE1 2.75Å; R1239-E1244 PolarHBondContact NH1-OE1 3.12Å; P1241-E1244 PolarHBondContact O-N 3.04Å; E1244-L1246 PolarHBondContact O-N 3.47Å; E1244-Q1247 PolarHBondContact O-N 2.9Å; E1244-Q1247 PolarHBondContact OE2-NE2 3.18Å; E1244-C1248 PolarHBondContact O-N 3.2Å; E1244-C1248 PolarHBondContact O-SG 2.59Å |
| 1245 | A | 89.6 | Confident | 90 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.1 | -41.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | L1071 L1074 F1130 P1241 Q1247 C1248 L1249 | L1071-A1245 HydrophobicContact CD1-CB 3.78Å; L1074-A1245 HydrophobicContact CB-CB 3.74Å; L1074-A1245 HydrophobicContact CD1-CB 4.23Å; F1130-A1245 HydrophobicContact CE1-CB 3.49Å; F1130-A1245 VanDerWaalsContact CE1-CB 3.49Å; F1130-A1245 HydrophobicContact CZ-CB 3.41Å; F1130-A1245 VanDerWaalsContact CZ-CB 3.41Å; P1241-A1245 WeakPolarHBondContact O-CB 3.37Å; P1241-A1245 PolarHBondContact O-N 3.36Å; P1241-A1245 VanDerWaalsContact O-N 3.07Å; A1245-Q1247 VanDerWaalsContact C-N 3.33Å; A1245-Q1247 PolarHBondContact O-N 2.74Å; A1245-C1248 PolarHBondContact O-N 2.96Å; A1245-L1249 PolarHBondContact O-N 2.79Å |
| 1246 | L | 92.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.1 | -34.8 | 179.6 | -167.7 | 66.4 | 0 | 0 | 0 | 112.3 | W1053 T1057 F1061 L1074 I1226 L1229 L1230 E1242 G1243 E1244 T1250 | W1053-L1246 HydrophobicContact CH2-CD2 4.13Å; W1053-L1246 HydrophobicContact CZ2-CD2 3.76Å; T1057-L1246 HydrophobicContact CG2-CD1 4.36Å; T1057-L1246 HydrophobicContact CG2-CD2 4.14Å; F1061-L1246 HydrophobicContact CE2-CD1 3.57Å; F1061-L1246 HydrophobicContact CZ-CD1 3.7Å; L1074-L1246 HydrophobicContact CD1-CB 4.15Å; L1074-L1246 HydrophobicContact CD1-CD1 4.16Å; L1074-L1246 HydrophobicContact CD2-CD1 3.6Å; I1226-L1246 HydrophobicContact CG2-CD1 3.83Å; I1226-L1246 HydrophobicContact CG2-CG 4.19Å; L1229-L1246 HydrophobicContact CB-CD2 3.82Å; L1230-L1246 HydrophobicContact CD2-CB 4.08Å; L1230-L1246 HydrophobicContact CD2-CD2 3.84Å; L1230-L1246 HydrophobicContact CD2-CG 3.87Å; L1230-L1246 HydrophobicContact CG-CD2 4.16Å; L1230-L1246 HydrophobicContact CG-CG 4.3Å; E1242-L1246 VanDerWaalsContact O-CB 3.29Å; E1242-L1246 WeakPolarHBondContact O-CB 3.44Å; E1242-L1246 PolarHBondContact O-N 2.94Å; E1242-L1246 VanDerWaalsContact O-N 3.09Å; G1243-L1246 PolarHBondContact O-N 2.73Å; E1244-L1246 PolarHBondContact O-N 3.47Å; L1246-T1250 WeakPolarHBondContact O-CB 3.48Å; L1246-T1250 PolarHBondContact O-N 2.73Å; L1246-T1250 PolarHBondContact O-OG1 2.85Å |
| 1247 | Q | 91.6 | Very high | 90.5 | Very high | 83 Ų | 83 | 28.3 Ų | 28.3 | 39% | 0.388 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -64.6 | -50.8 | 174 | -70 | 171.9 | 68 | 0 | 0 | 110.4 | L1230 G1243 E1244 A1245 L1249 T1250 E1251 | L1230-Q1247 HydrophobicContact CD2-CB 4.5Å; L1230-Q1247 HydrophobicContact CD2-CG 3.57Å; G1243-Q1247 PolarHBondContact O-N 2.85Å; G1243-Q1247 PolarHBondContact O-NE2 3.25Å; E1244-Q1247 PolarHBondContact O-N 2.9Å; E1244-Q1247 PolarHBondContact OE2-NE2 3.18Å; A1245-Q1247 VanDerWaalsContact C-N 3.33Å; A1245-Q1247 PolarHBondContact O-N 2.74Å; Q1247-L1249 PolarHBondContact O-N 3.45Å; Q1247-T1250 WeakPolarHBondContact O-CB 3.11Å; Q1247-T1250 PolarHBondContact O-N 2.74Å; Q1247-E1251 PolarHBondContact O-N 3.1Å |
| 1248 | C | 91.1 | Very high | 90.9 | Very high | 13 Ų | 13 | 30.2 Ų | 30.2 | 9% | 0.088 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.1 | -45.6 | 178.9 | -61.8 | 0 | 0 | 0 | 0 | 112.6 | F1130 E1244 A1245 T1250 E1251 R1252 | F1130-C1248 HydrophobicContact CB-CB 4.09Å; F1130-C1248 HydrophobicContact CD1-CB 3.78Å; F1130-C1248 HydrophobicContact CG-CB 4.16Å; E1244-C1248 PolarHBondContact O-N 3.2Å; E1244-C1248 PolarHBondContact O-SG 2.59Å; A1245-C1248 PolarHBondContact O-N 2.96Å; C1248-T1250 VanDerWaalsContact C-N 3.27Å; C1248-T1250 PolarHBondContact O-N 2.79Å; C1248-E1251 PolarHBondContact O-N 3.48Å; C1248-R1252 WeakPolarHBondContact O-CB 3.46Å; C1248-R1252 PolarHBondContact O-N 3.39Å; C1248-R1252 VanDerWaalsContact O-N 3.14Å |
| 1249 | L | 92.2 | Very high | 91.3 | Very high | 10 Ų | 10 | 34.6 Ų | 34.6 | 5% | 0.052 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.1 | -32.9 | 176.5 | -179.3 | 62 | 0 | 0 | 0 | 112.5 | F1061 L1074 A1245 Q1247 A1253 L1455 V1457 | F1061-L1249 HydrophobicContact CE1-CD2 3.78Å; F1061-L1249 HydrophobicContact CZ-CD2 4.18Å; L1074-L1249 HydrophobicContact CD2-CD2 3.74Å; A1245-L1249 PolarHBondContact O-N 2.79Å; Q1247-L1249 PolarHBondContact O-N 3.45Å; L1249-A1253 WeakPolarHBondContact O-CB 3.4Å; L1249-A1253 PolarHBondContact O-N 2.85Å; L1249-L1455 HydrophobicContact CD1-CD2 4.2Å; L1249-V1457 HydrophobicContact CD1-CG2 4.28Å; L1249-V1457 HydrophobicContact CD2-CG2 4.19Å; L1249-V1457 HydrophobicContact CG-CG2 4.14Å |
| 1250 | T | 92.5 | Very high | 91.5 | Very high | 8 Ų | 8 | 32 Ų | 32 | 5% | 0.049 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -72.4 | -45.4 | -179.7 | -56.3 | 0 | 0 | 0 | 0 | 111.4 | L1223 I1226 L1227 L1230 L1246 Q1247 C1248 R1252 A1253 M1254 | L1223-T1250 HydrophobicContact CD1-CG2 4.2Å; I1226-T1250 VanDerWaalsContact CG2-OG1 3.24Å; I1226-T1250 WeakPolarHBondContact CG2-OG1 3.42Å; L1227-T1250 HydrophobicContact CD2-CG2 3.89Å; L1230-T1250 HydrophobicContact CD1-CG2 4.02Å; L1246-T1250 WeakPolarHBondContact O-CB 3.48Å; L1246-T1250 PolarHBondContact O-N 2.73Å; L1246-T1250 PolarHBondContact O-OG1 2.85Å; Q1247-T1250 WeakPolarHBondContact O-CB 3.11Å; Q1247-T1250 PolarHBondContact O-N 2.74Å; C1248-T1250 VanDerWaalsContact C-N 3.27Å; C1248-T1250 PolarHBondContact O-N 2.79Å; T1250-R1252 VanDerWaalsContact C-N 3.3Å; T1250-R1252 PolarHBondContact O-N 3.27Å; T1250-A1253 PolarHBondContact O-N 2.83Å; T1250-M1254 HydrophobicContact CG2-SD 4.14Å; T1250-M1254 WeakPolarHBondContact O-CG 3.35Å; T1250-M1254 PolarHBondContact O-N 2.93Å |
| 1251 | E | 91.5 | Very high | 91.7 | Very high | 103 Ų | 103 | 37.8 Ų | 37.8 | 48% | 0.481 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -54.2 | -48.3 | 171.9 | -69.7 | -175.4 | -175.5 | 0 | 0 | 111.1 | K1131 Q1247 C1248 A1253 M1254 S1255 | K1131-E1251 WeakPolarHBondContact CE-OE2 3.32Å; K1131-E1251 IonicContact NZ-OE2 3.76Å; K1131-E1251 PolarHBondContact NZ-OE2 2.85Å; Q1247-E1251 PolarHBondContact O-N 3.1Å; C1248-E1251 PolarHBondContact O-N 3.48Å; E1251-A1253 PolarHBondContact O-N 2.86Å; E1251-M1254 PolarHBondContact O-N 2.82Å; E1251-S1255 WeakPolarHBondContact O-CB 3.46Å; E1251-S1255 PolarHBondContact O-N 3.13Å |
| 1252 | R | 92.3 | Very high | 92 | Very high | 19 Ų | 19 | 43.3 Ų | 43.3 | 7% | 0.072 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.6 | -45.9 | -179.8 | -167.7 | -174.6 | -175.6 | -161.3 | 8.2 | 112.7 | E1134 E1137 C1248 T1250 S1255 W1256 L1455 | E1134-R1252 WeakPolarHBondContact OE1-CD 3.41Å; E1134-R1252 WeakPolarHBondContact OE1-CG 3.42Å; E1134-R1252 IonicContact OE1-CZ 2.7Å; E1134-R1252 IonicContact OE1-NE 2.7Å; E1134-R1252 PolarHBondContact OE1-NE 2.76Å; E1134-R1252 IonicContact OE1-NH2 3.54Å; E1134-R1252 WeakPolarHBondContact OE2-CD 3.24Å; E1134-R1252 WeakPolarHBondContact OE2-CG 3.32Å; E1134-R1252 IonicContact OE2-NE 3.88Å; E1134-R1252 PolarHBondContact OE2-NE 2.69Å; E1137-R1252 IonicContact OE1-NH1 2.73Å; E1137-R1252 IonicContact OE2-CZ 2.61Å; E1137-R1252 IonicContact OE2-NH1 3.56Å; E1137-R1252 PolarHBondContact OE2-NH1 3.45Å; E1137-R1252 IonicContact OE2-NH2 3.17Å; E1137-R1252 PolarHBondContact OE2-NH2 3.28Å; C1248-R1252 WeakPolarHBondContact O-CB 3.46Å; C1248-R1252 PolarHBondContact O-N 3.39Å; C1248-R1252 VanDerWaalsContact O-N 3.14Å; T1250-R1252 VanDerWaalsContact C-N 3.3Å; T1250-R1252 PolarHBondContact O-N 3.27Å; R1252-S1255 PolarHBondContact O-N 2.74Å; R1252-W1256 PolarHBondContact O-N 3.2Å; R1252-W1256 VanDerWaalsContact O-N 3.07Å; R1252-L1455 HydrophobicContact CB-CD2 4.41Å; R1252-L1455 HydrophobicContact CG-CD2 3.94Å |
| 1253 | A | 92.4 | Very high | 92 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.2 | -38.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1223 L1249 T1250 E1251 Q1257 L1455 V1457 | L1223-A1253 HydrophobicContact CD1-CB 4.32Å; L1249-A1253 WeakPolarHBondContact O-CB 3.4Å; L1249-A1253 PolarHBondContact O-N 2.85Å; T1250-A1253 PolarHBondContact O-N 2.83Å; E1251-A1253 PolarHBondContact O-N 2.86Å; A1253-Q1257 PolarHBondContact O-N 2.82Å; A1253-L1455 HydrophobicContact CB-CD1 4.45Å; A1253-L1455 HydrophobicContact CB-CD2 4.25Å; A1253-V1457 HydrophobicContact CB-CB 4.38Å; A1253-V1457 HydrophobicContact CB-CG1 4.38Å; A1253-V1457 HydrophobicContact CB-CG2 4.07Å |
| 1254 | M | 93.2 | Very high | 91.9 | Very high | 90 Ų | 90 | 43.6 Ų | 43.6 | 44% | 0.443 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -66.5 | -47.4 | 175.3 | -70.3 | 175.6 | 64.9 | 0 | 0 | 111.4 | L1223 T1250 E1251 W1256 Q1257 D1258 | L1223-M1254 HydrophobicContact CD1-CG 4.41Å; L1223-M1254 HydrophobicContact CD2-CG 3.96Å; T1250-M1254 HydrophobicContact CG2-SD 4.14Å; T1250-M1254 WeakPolarHBondContact O-CG 3.35Å; T1250-M1254 PolarHBondContact O-N 2.93Å; E1251-M1254 PolarHBondContact O-N 2.82Å; M1254-W1256 VanDerWaalsContact C-N 3.28Å; M1254-W1256 PolarHBondContact O-N 3.49Å; M1254-Q1257 PolarHBondContact O-N 3.26Å; M1254-D1258 PolarHBondContact O-N 3.03Å; M1254-D1258 VanDerWaalsContact O-N 3.12Å |
| 1255 | S | 92.3 | Very high | 92 | Very high | 65 Ų | 65 | 46 Ų | 46 | 46% | 0.455 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.4 | -37.1 | 176.2 | 175.1 | 0 | 0 | 0 | 0 | 113.3 | E1251 R1252 R1259 | E1251-S1255 WeakPolarHBondContact O-CB 3.46Å; E1251-S1255 PolarHBondContact O-N 3.13Å; R1252-S1255 PolarHBondContact O-N 2.74Å; S1255-R1259 WeakPolarHBondContact O-CG 3.4Å; S1255-R1259 PolarHBondContact O-N 3.34Å |
| 1256 | W | 94.8 | Very high | 92 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -71.2 | -40.4 | 172.4 | -178.2 | 91 | 0 | 0 | 0 | 112.8 | R1252 M1254 D1258 R1259 A1260 L1448 V1451 L1455 L1459 E1461 T1462 I1465 | R1252-W1256 PolarHBondContact O-N 3.2Å; R1252-W1256 VanDerWaalsContact O-N 3.07Å; M1254-W1256 VanDerWaalsContact C-N 3.28Å; M1254-W1256 PolarHBondContact O-N 3.49Å; W1256-D1258 VanDerWaalsContact C-N 3.32Å; W1256-D1258 PolarHBondContact O-N 3.27Å; W1256-R1259 PolarHBondContact O-N 2.98Å; W1256-A1260 HydrophobicContact CD2-CB 4.24Å; W1256-A1260 HydrophobicContact CE3-CB 4.04Å; W1256-A1260 HydrophobicContact CH2-CB 3.67Å; W1256-A1260 HydrophobicContact CZ2-CB 3.88Å; W1256-A1260 HydrophobicContact CZ3-CB 3.76Å; W1256-A1260 WeakPolarHBondContact O-CB 3.49Å; W1256-A1260 PolarHBondContact O-N 2.89Å; W1256-L1448 WeakPolarHBondContact CZ2-O 3.37Å; W1256-L1448 PolarHBondContact NE1-O 3.22Å; W1256-V1451 HydrophobicContact CG-CG1 4.42Å; W1256-L1455 HydrophobicContact CB-CD1 3.61Å; W1256-L1455 HydrophobicContact CD2-CD1 3.98Å; W1256-L1455 HydrophobicContact CE3-CD1 4.23Å; W1256-L1455 HydrophobicContact CG-CD1 3.72Å; W1256-L1459 HydrophobicContact CE3-CD1 3.41Å; W1256-L1459 VanDerWaalsContact CE3-CD1 3.41Å; W1256-L1459 HydrophobicContact CZ3-CB 3.98Å; W1256-L1459 HydrophobicContact CZ3-CD1 3.62Å; W1256-L1459 HydrophobicContact CZ3-CG 4.45Å; W1256-E1461 HydrophobicContact CH2-CB 4.13Å; W1256-E1461 HydrophobicContact CZ3-CB 4.09Å; W1256-T1462 WeakPolarHBondContact CH2-OG1 3.27Å; W1256-I1465 HydrophobicContact CH2-CD1 4.32Å; W1256-I1465 HydrophobicContact CZ2-CD1 4.1Å |
| 1257 | Q | 93.1 | Very high | 91.8 | Very high | 30 Ų | 30 | 55.6 Ų | 55.6 | 14% | 0.14 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.7 | -41.5 | -178.9 | -176.6 | 166.1 | 62.2 | 0 | 0 | 111.7 | A1253 M1254 A1260 R1261 L1459 E1461 | A1253-Q1257 PolarHBondContact O-N 2.82Å; M1254-Q1257 PolarHBondContact O-N 3.26Å; Q1257-A1260 PolarHBondContact O-N 2.96Å; Q1257-R1261 WeakPolarHBondContact O-CB 3.45Å; Q1257-R1261 VanDerWaalsContact O-CG 3.31Å; Q1257-R1261 WeakPolarHBondContact O-CG 3.38Å; Q1257-R1261 PolarHBondContact O-N 3.38Å; Q1257-L1459 HydrophobicContact CB-CD1 4.34Å; Q1257-E1461 VanDerWaalsContact NE2-CD 3.33Å; Q1257-E1461 PolarHBondContact NE2-OE1 2.79Å; Q1257-E1461 PolarHBondContact NE2-OE2 3.4Å |
| 1258 | D | 93.3 | Very high | 91.6 | Very high | 86 Ų | 86 | 55.3 Ų | 55.3 | 46% | 0.46 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.8 | -42.7 | 177 | -72.6 | -29.5 | 0 | 0 | 0 | 112.1 | M1254 W1256 A1260 R1261 Q1262 | M1254-D1258 PolarHBondContact O-N 3.03Å; M1254-D1258 VanDerWaalsContact O-N 3.12Å; W1256-D1258 VanDerWaalsContact C-N 3.32Å; W1256-D1258 PolarHBondContact O-N 3.27Å; D1258-A1260 PolarHBondContact O-N 3.06Å; D1258-R1261 PolarHBondContact O-N 3.47Å; D1258-Q1262 VanDerWaalsContact O-CG 3.28Å; D1258-Q1262 WeakPolarHBondContact O-CG 3.25Å; D1258-Q1262 PolarHBondContact O-N 3.29Å |
| 1259 | R | 93.5 | Very high | 91.5 | Very high | 96 Ų | 96 | 54.7 Ų | 54.7 | 36% | 0.362 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 173.6 | -71.8 | -169.8 | -69.8 | 153 | -8.1 | 112.5 | S1255 W1256 R1261 Q1262 A1263 L1448 | S1255-R1259 WeakPolarHBondContact O-CG 3.4Å; S1255-R1259 PolarHBondContact O-N 3.34Å; W1256-R1259 PolarHBondContact O-N 2.98Å; R1259-R1261 VanDerWaalsContact C-N 3.35Å; R1259-R1261 PolarHBondContact O-N 3.38Å; R1259-Q1262 PolarHBondContact O-N 3.01Å; R1259-A1263 PolarHBondContact O-N 3.42Å; R1259-L1448 HydrophobicContact CB-CD2 4.12Å |
| 1260 | A | 91.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.3 | -38.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | W1256 Q1257 D1258 L1264 E1461 I1465 | W1256-A1260 HydrophobicContact CD2-CB 4.24Å; W1256-A1260 HydrophobicContact CE3-CB 4.04Å; W1256-A1260 HydrophobicContact CH2-CB 3.67Å; W1256-A1260 HydrophobicContact CZ2-CB 3.88Å; W1256-A1260 HydrophobicContact CZ3-CB 3.76Å; W1256-A1260 WeakPolarHBondContact O-CB 3.49Å; W1256-A1260 PolarHBondContact O-N 2.89Å; Q1257-A1260 PolarHBondContact O-N 2.96Å; D1258-A1260 PolarHBondContact O-N 3.06Å; A1260-L1264 WeakPolarHBondContact O-CB 3.42Å; A1260-L1264 VanDerWaalsContact O-CG 3.29Å; A1260-L1264 WeakPolarHBondContact O-CG 3.14Å; A1260-L1264 PolarHBondContact O-N 3.4Å; A1260-E1461 HydrophobicContact CB-CB 4Å; A1260-E1461 HydrophobicContact CB-CG 4.38Å; A1260-I1465 HydrophobicContact CB-CD1 4.16Å |
| 1261 | R | 92.6 | Very high | 91 | Very high | 124 Ų | 124 | 59.6 Ų | 59.6 | 47% | 0.468 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 174.2 | -75 | 174.8 | 177.3 | 176.6 | 2.6 | 112.4 | Q1257 D1258 R1259 A1263 L1264 A1265 E1461 | Q1257-R1261 WeakPolarHBondContact O-CB 3.45Å; Q1257-R1261 VanDerWaalsContact O-CG 3.31Å; Q1257-R1261 WeakPolarHBondContact O-CG 3.38Å; Q1257-R1261 PolarHBondContact O-N 3.38Å; D1258-R1261 PolarHBondContact O-N 3.47Å; R1259-R1261 VanDerWaalsContact C-N 3.35Å; R1259-R1261 PolarHBondContact O-N 3.38Å; R1261-A1263 VanDerWaalsContact C-N 3.35Å; R1261-A1263 PolarHBondContact O-N 3.19Å; R1261-L1264 PolarHBondContact O-N 2.97Å; R1261-A1265 VanDerWaalsContact O-CB 3.31Å; R1261-A1265 WeakPolarHBondContact O-CB 3.49Å; R1261-A1265 PolarHBondContact O-N 2.91Å; R1261-E1461 HydrophobicContact CG-CG 3.99Å; R1261-E1461 IonicContact CZ-OE1 2.87Å; R1261-E1461 VanDerWaalsContact CZ-OE1 3.22Å; R1261-E1461 IonicContact NE-OE1 2.86Å; R1261-E1461 PolarHBondContact NE-OE1 3.11Å; R1261-E1461 IonicContact NH2-OE1 3.4Å; R1261-E1461 PolarHBondContact NH2-OE1 3.02Å |
| 1262 | Q | 92.1 | Very high | 90.7 | Very high | 140 Ų | 140 | 54.8 Ų | 54.8 | 65% | 0.654 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -60.5 | -43 | 177 | -72.1 | 169.2 | 15.5 | 0 | 0 | 111.8 | D1258 R1259 A1265 | D1258-Q1262 VanDerWaalsContact O-CG 3.28Å; D1258-Q1262 WeakPolarHBondContact O-CG 3.25Å; D1258-Q1262 PolarHBondContact O-N 3.29Å; R1259-Q1262 PolarHBondContact O-N 3.01Å; Q1262-A1265 PolarHBondContact O-N 2.9Å |
| 1263 | A | 89.7 | Confident | 90.3 | Very high | 3 Ų | 3 | 55.6 Ų | 55.6 | 3% | 0.025 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.7 | -50.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R1259 R1261 A1265 T1266 L1269 L1448 | R1259-A1263 PolarHBondContact O-N 3.42Å; R1261-A1263 VanDerWaalsContact C-N 3.35Å; R1261-A1263 PolarHBondContact O-N 3.19Å; A1263-A1265 PolarHBondContact O-N 2.96Å; A1263-A1265 VanDerWaalsContact O-N 3.14Å; A1263-T1266 WeakPolarHBondContact O-CB 3.22Å; A1263-T1266 WeakPolarHBondContact O-CG2 3.4Å; A1263-T1266 PolarHBondContact O-N 3.2Å; A1263-T1266 VanDerWaalsContact O-N 3.07Å; A1263-T1266 PolarHBondContact O-OG1 2.81Å; A1263-L1269 WeakPolarHBondContact O-CD1 3.27Å; A1263-L1448 HydrophobicContact CB-CD1 3.49Å; A1263-L1448 VanDerWaalsContact CB-CD1 3.49Å |
| 1264 | L | 89.3 | Confident | 90 | Very high | 22 Ų | 22 | 58.3 Ų | 58.3 | 12% | 0.115 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.8 | -18.4 | 179.9 | -70.8 | 174.1 | 0 | 0 | 0 | 114 | A1260 R1261 L1273 L1445 E1461 H1464 I1465 I1468 | A1260-L1264 WeakPolarHBondContact O-CB 3.42Å; A1260-L1264 VanDerWaalsContact O-CG 3.29Å; A1260-L1264 WeakPolarHBondContact O-CG 3.14Å; A1260-L1264 PolarHBondContact O-N 3.4Å; R1261-L1264 PolarHBondContact O-N 2.97Å; L1264-L1273 HydrophobicContact CD2-CD1 4.13Å; L1264-L1445 HydrophobicContact CD2-CD2 4.42Å; L1264-E1461 HydrophobicContact CD1-CB 4.16Å; L1264-E1461 HydrophobicContact CD1-CG 4.36Å; L1264-H1464 HydrophobicContact CD1-CB 3.84Å; L1264-H1464 HydrophobicContact CD2-CB 4.27Å; L1264-I1465 HydrophobicContact CD1-CG1 4.14Å; L1264-I1465 HydrophobicContact CD2-CG1 3.94Å; L1264-I1465 HydrophobicContact CG-CG1 4.16Å; L1264-I1468 HydrophobicContact CD2-CD1 3.51Å |
| 1265 | A | 90.8 | Very high | 89.5 | Confident | 73 Ų | 73 | 59.5 Ų | 59.5 | 60% | 0.603 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -6.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | R1261 Q1262 A1263 | R1261-A1265 VanDerWaalsContact O-CB 3.31Å; R1261-A1265 WeakPolarHBondContact O-CB 3.49Å; R1261-A1265 PolarHBondContact O-N 2.91Å; Q1262-A1265 PolarHBondContact O-N 2.9Å; A1263-A1265 PolarHBondContact O-N 2.96Å; A1263-A1265 VanDerWaalsContact O-N 3.14Å |
| 1266 | T | 90.1 | Very high | 89 | Confident | 58 Ų | 58 | 58.2 Ų | 58.2 | 36% | 0.356 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -66.7 | 144 | 173.4 | 58.5 | 0 | 0 | 0 | 0 | 111.3 | A1263 E1268 L1269 S1270 | A1263-T1266 WeakPolarHBondContact O-CB 3.22Å; A1263-T1266 WeakPolarHBondContact O-CG2 3.4Å; A1263-T1266 PolarHBondContact O-N 3.2Å; A1263-T1266 VanDerWaalsContact O-N 3.07Å; A1263-T1266 PolarHBondContact O-OG1 2.81Å; T1266-E1268 VanDerWaalsContact C-N 3.28Å; T1266-E1268 PolarHBondContact O-N 3.33Å; T1266-L1269 PolarHBondContact O-N 3.2Å; T1266-L1269 VanDerWaalsContact O-N 3.08Å; T1266-L1269 WeakPolarHBondContact OG1-CG 3.29Å; T1266-S1270 VanDerWaalsContact O-CB 3.31Å; T1266-S1270 WeakPolarHBondContact O-CB 3.45Å; T1266-S1270 PolarHBondContact O-N 3.2Å |
| 1267 | D | 87.8 | Confident | 88.4 | Confident | 144 Ų | 144 | 61.3 Ų | 61.3 | 77% | 0.77 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -57 | -39.2 | -173.5 | -70.2 | -46.9 | 0 | 0 | 0 | 113.4 | S1271 | D1267-S1271 WeakPolarHBondContact O-CB 3.46Å; D1267-S1271 PolarHBondContact O-N 2.96Å |
| 1268 | E | 87.9 | Confident | 87.9 | Confident | 77 Ų | 77 | 63.9 Ų | 63.9 | 36% | 0.36 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.2 | -47.2 | 176.9 | 178.1 | 168 | -133.4 | 0 | 0 | 111.6 | T1266 A1272 L1437 S1438 A1441 | T1266-E1268 VanDerWaalsContact C-N 3.28Å; T1266-E1268 PolarHBondContact O-N 3.33Å; E1268-A1272 WeakPolarHBondContact O-CB 3.38Å; E1268-A1272 PolarHBondContact O-N 2.84Å; E1268-L1437 HydrophobicContact CG-CD2 3.8Å; E1268-S1438 PolarHBondContact OE1-N 2.99Å; E1268-S1438 WeakPolarHBondContact OE2-CB 3.48Å; E1268-S1438 PolarHBondContact OE2-OG 3.06Å; E1268-A1441 WeakPolarHBondContact OE2-CB 3.26Å |
| 1269 | L | 88.4 | Confident | 87.1 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -80.5 | -31.2 | -175.9 | -59.9 | -172.9 | 0 | 0 | 0 | 113.2 | A1263 T1266 A1272 L1273 L1437 A1441 L1445 I1468 | A1263-L1269 WeakPolarHBondContact O-CD1 3.27Å; T1266-L1269 PolarHBondContact O-N 3.2Å; T1266-L1269 VanDerWaalsContact O-N 3.08Å; T1266-L1269 WeakPolarHBondContact OG1-CG 3.29Å; L1269-A1272 WeakPolarHBondContact O-CB 3.07Å; L1269-A1272 PolarHBondContact O-N 2.92Å; L1269-L1273 PolarHBondContact O-N 2.9Å; L1269-L1437 HydrophobicContact CD2-CD1 3.93Å; L1269-L1437 HydrophobicContact CD2-CD2 3.79Å; L1269-A1441 HydrophobicContact CD2-CB 4.12Å; L1269-A1441 HydrophobicContact CG-CB 4.48Å; L1269-L1445 HydrophobicContact CD1-CD1 3.7Å; L1269-L1445 HydrophobicContact CD1-CD2 3.77Å; L1269-L1445 HydrophobicContact CD1-CG 3.81Å; L1269-L1445 HydrophobicContact CD2-CD1 3.57Å; L1269-L1445 HydrophobicContact CG-CD1 4.28Å; L1269-I1468 HydrophobicContact CB-CD1 4.43Å; L1269-I1468 HydrophobicContact CD2-CG2 4.3Å |
| 1270 | S | 87.2 | Confident | 86.1 | Confident | 63 Ų | 63 | 58.6 Ų | 58.6 | 44% | 0.441 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 169.2 | -175.9 | 0 | 0 | 0 | 0 | 111.1 | T1266 A1272 L1273 A1274 | T1266-S1270 VanDerWaalsContact O-CB 3.31Å; T1266-S1270 WeakPolarHBondContact O-CB 3.45Å; T1266-S1270 PolarHBondContact O-N 3.2Å; S1270-A1272 PolarHBondContact O-N 2.9Å; S1270-L1273 PolarHBondContact O-N 3.34Å; S1270-A1274 PolarHBondContact O-N 3.17Å |
| 1271 | S | 87.7 | Confident | 85.4 | Confident | 57 Ų | 57 | 64.5 Ų | 64.5 | 40% | 0.399 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.9 | -41 | 175 | -174.8 | 0 | 0 | 0 | 0 | 112.5 | D1267 A1274 K1275 | D1267-S1271 WeakPolarHBondContact O-CB 3.46Å; D1267-S1271 PolarHBondContact O-N 2.96Å; S1271-A1274 PolarHBondContact O-N 3.46Å; S1271-K1275 WeakPolarHBondContact O-CG 3.35Å; S1271-K1275 PolarHBondContact O-N 3.17Å |
| 1272 | A | 85 | Confident | 84.6 | Confident | 3 Ų | 3 | 67 Ų | 67 | 3% | 0.025 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -57.9 | -48 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E1268 L1269 S1270 A1274 K1275 L1276 L1435 L1437 I1468 | E1268-A1272 WeakPolarHBondContact O-CB 3.38Å; E1268-A1272 PolarHBondContact O-N 2.84Å; L1269-A1272 WeakPolarHBondContact O-CB 3.07Å; L1269-A1272 PolarHBondContact O-N 2.92Å; S1270-A1272 PolarHBondContact O-N 2.9Å; A1272-A1274 VanDerWaalsContact C-N 3.33Å; A1272-A1274 PolarHBondContact O-N 3.2Å; A1272-K1275 PolarHBondContact O-N 3.47Å; A1272-L1276 PolarHBondContact O-N 3.22Å; A1272-L1435 HydrophobicContact CB-CD1 3.61Å; A1272-L1435 HydrophobicContact CB-CD2 4.45Å; A1272-L1437 HydrophobicContact CB-CD2 4.06Å; A1272-I1468 HydrophobicContact CB-CG2 4.42Å |
| 1273 | L | 83.6 | Confident | 83.6 | Confident | 36 Ų | 36 | 60.5 Ų | 60.5 | 19% | 0.188 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.1 | -39.1 | 176 | -95.5 | 162.9 | 0 | 0 | 0 | 113.2 | L1264 L1269 S1270 S1277 H1464 I1468 | L1264-L1273 HydrophobicContact CD2-CD1 4.13Å; L1269-L1273 PolarHBondContact O-N 2.9Å; S1270-L1273 PolarHBondContact O-N 3.34Å; L1273-S1277 PolarHBondContact O-N 2.82Å; L1273-S1277 VanDerWaalsContact O-N 3.1Å; L1273-S1277 PolarHBondContact O-OG 3.04Å; L1273-H1464 HydrophobicContact CD1-CB 4.33Å; L1273-H1464 HydrophobicContact CD2-CB 4.27Å; L1273-I1468 HydrophobicContact CD1-CD1 4.06Å; L1273-I1468 HydrophobicContact CG-CD1 3.92Å; L1273-I1468 HydrophobicContact CG-CG1 4.1Å |
| 1274 | A | 85.2 | Confident | 82.8 | Confident | 57 Ų | 57 | 63.6 Ų | 63.6 | 47% | 0.471 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.2 | -49.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S1270 S1271 A1272 L1276 S1277 V1278 | S1270-A1274 PolarHBondContact O-N 3.17Å; S1271-A1274 PolarHBondContact O-N 3.46Å; A1272-A1274 VanDerWaalsContact C-N 3.33Å; A1272-A1274 PolarHBondContact O-N 3.2Å; A1274-L1276 PolarHBondContact O-N 3.43Å; A1274-S1277 WeakPolarHBondContact O-CB 3.35Å; A1274-S1277 PolarHBondContact O-N 3.38Å; A1274-V1278 PolarHBondContact O-N 2.9Å |
| 1275 | K | 84.4 | Confident | 82.2 | Confident | 115 Ų | 115 | 67.2 Ų | 67.2 | 50% | 0.5 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -55.4 | -49.9 | 175.5 | -74.7 | 173.9 | -179.9 | 179.1 | 0 | 111.7 | S1271 A1272 S1277 V1278 L1279 L1435 | S1271-K1275 WeakPolarHBondContact O-CG 3.35Å; S1271-K1275 PolarHBondContact O-N 3.17Å; A1272-K1275 PolarHBondContact O-N 3.47Å; K1275-S1277 VanDerWaalsContact C-N 3.29Å; K1275-S1277 PolarHBondContact O-N 3.34Å; K1275-V1278 PolarHBondContact O-N 3.04Å; K1275-L1279 WeakPolarHBondContact O-CD1 3.42Å; K1275-L1279 PolarHBondContact O-N 3.25Å; K1275-L1435 HydrophobicContact CB-CD2 3.9Å; K1275-L1435 HydrophobicContact CD-CD2 3.46Å; K1275-L1435 VanDerWaalsContact CD-CD2 3.46Å; K1275-L1435 HydrophobicContact CG-CD2 4.34Å |
| 1276 | L | 81.5 | Confident | 81.4 | Confident | 38 Ų | 38 | 69 Ų | 69 | 20% | 0.199 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.7 | -37.5 | 178.9 | -89.7 | 166.5 | 0 | 0 | 0 | 113.2 | A1272 A1274 L1279 S1280 L1435 R1467 A1471 | A1272-L1276 PolarHBondContact O-N 3.22Å; A1274-L1276 PolarHBondContact O-N 3.43Å; L1276-L1279 PolarHBondContact O-N 3.3Å; L1276-S1280 WeakPolarHBondContact O-CB 3.25Å; L1276-S1280 PolarHBondContact O-N 2.81Å; L1276-L1435 HydrophobicContact CD1-CD1 3.62Å; L1276-L1435 HydrophobicContact CG-CD1 3.81Å; L1276-R1467 WeakPolarHBondContact CD1-O 3.35Å; L1276-A1471 HydrophobicContact CD1-CB 3.93Å; L1276-A1471 HydrophobicContact CD2-CB 3.84Å; L1276-A1471 HydrophobicContact CG-CB 4.2Å |
| 1277 | S | 81 | Confident | 80.5 | Confident | 65 Ų | 65 | 67.9 Ų | 67.9 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 176.5 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | L1273 A1274 K1275 S1280 Q1281 | L1273-S1277 PolarHBondContact O-N 2.82Å; L1273-S1277 VanDerWaalsContact O-N 3.1Å; L1273-S1277 PolarHBondContact O-OG 3.04Å; A1274-S1277 WeakPolarHBondContact O-CB 3.35Å; A1274-S1277 PolarHBondContact O-N 3.38Å; K1275-S1277 VanDerWaalsContact C-N 3.29Å; K1275-S1277 PolarHBondContact O-N 3.34Å; S1277-S1280 PolarHBondContact O-N 3.17Å; S1277-S1280 PolarHBondContact O-OG 3.43Å; S1277-Q1281 PolarHBondContact O-N 2.7Å |
| 1278 | V | 83 | Confident | 79.9 | Confident | 85 Ų | 85 | 63.8 Ų | 63.8 | 52% | 0.515 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 178.4 | 176.5 | 0 | 0 | 0 | 0 | 112 | A1274 K1275 Q1281 R1282 | A1274-V1278 PolarHBondContact O-N 2.9Å; K1275-V1278 PolarHBondContact O-N 3.04Å; V1278-Q1281 PolarHBondContact O-N 2.82Å; V1278-R1282 PolarHBondContact O-N 2.83Å |
| 1279 | L | 76.8 | Confident | 79.5 | Confident | 48 Ų | 48 | 67.8 Ų | 67.8 | 25% | 0.251 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 176 | -77.3 | 154.3 | 0 | 0 | 0 | 111.8 | K1275 L1276 Q1281 R1282 M1283 L1430 V1434 | K1275-L1279 WeakPolarHBondContact O-CD1 3.42Å; K1275-L1279 PolarHBondContact O-N 3.25Å; L1276-L1279 PolarHBondContact O-N 3.3Å; L1279-Q1281 PolarHBondContact O-N 3Å; L1279-R1282 PolarHBondContact O-N 2.88Å; L1279-M1283 PolarHBondContact O-N 3.48Å; L1279-L1430 HydrophobicContact CD2-CD1 4Å; L1279-V1434 HydrophobicContact CD1-CB 4.46Å; L1279-V1434 HydrophobicContact CD1-CG1 3.48Å; L1279-V1434 VanDerWaalsContact CD1-CG1 3.48Å; L1279-V1434 HydrophobicContact CD2-CG1 3.99Å; L1279-V1434 HydrophobicContact CG-CG1 4.35Å |
| 1280 | S | 72.1 | Confident | 78.8 | Confident | 22 Ų | 22 | 71.6 Ų | 71.6 | 15% | 0.154 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62 | -31.1 | 177.5 | 78.1 | 0 | 0 | 0 | 0 | 113.1 | L1276 S1277 V1284 | L1276-S1280 WeakPolarHBondContact O-CB 3.25Å; L1276-S1280 PolarHBondContact O-N 2.81Å; S1277-S1280 PolarHBondContact O-N 3.17Å; S1277-S1280 PolarHBondContact O-OG 3.43Å; S1280-V1284 WeakPolarHBondContact O-CG2 3.48Å |
| 1281 | Q | 76.3 | Confident | 78.2 | Confident | 125 Ų | 125 | 76 Ų | 76 | 58% | 0.584 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -73.2 | -44 | 177.5 | -172.6 | 171.7 | -17.6 | 0 | 0 | 111.9 | S1277 V1278 L1279 M1283 V1284 E1285 | S1277-Q1281 PolarHBondContact O-N 2.7Å; V1278-Q1281 PolarHBondContact O-N 2.82Å; L1279-Q1281 PolarHBondContact O-N 3Å; Q1281-M1283 PolarHBondContact O-N 3.25Å; Q1281-V1284 PolarHBondContact O-N 2.71Å; Q1281-E1285 PolarHBondContact O-N 3.04Å |
| 1282 | R | 77.7 | Confident | 77.8 | Confident | 175 Ų | 175 | 77.2 Ų | 77.2 | 66% | 0.66 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -60.8 | -43.5 | 179.9 | -78.1 | -174.3 | 172.1 | -178.8 | -2 | 113.2 | V1278 L1279 V1284 E1285 Q1286 | V1278-R1282 PolarHBondContact O-N 2.83Å; L1279-R1282 PolarHBondContact O-N 2.88Å; R1282-V1284 VanDerWaalsContact C-N 3.28Å; R1282-V1284 PolarHBondContact O-N 2.96Å; R1282-E1285 PolarHBondContact O-N 3.41Å; R1282-E1285 VanDerWaalsContact O-N 3.16Å; R1282-Q1286 PolarHBondContact O-N 3.21Å |
| 1283 | M | 69.9 | Low | 77.5 | Confident | 5 Ų | 5 | 82.9 Ų | 82.9 | 3% | 0.025 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -70.4 | -23.8 | -176 | -63.6 | -148.2 | 74.4 | 0 | 0 | 113.6 | L1279 Q1281 A1287 V1426 P1427 S1429 L1430 | L1279-M1283 PolarHBondContact O-N 3.48Å; Q1281-M1283 PolarHBondContact O-N 3.25Å; M1283-A1287 WeakPolarHBondContact O-CB 3.3Å; M1283-A1287 PolarHBondContact O-N 3.48Å; M1283-V1426 HydrophobicContact CB-CG1 3.93Å; M1283-V1426 HydrophobicContact CG-CG1 3.92Å; M1283-V1426 HydrophobicContact SD-CG1 3.28Å; M1283-V1426 WeakPolarHBondContact SD-CG1 3.38Å; M1283-P1427 HydrophobicContact CB-CG 4.19Å; M1283-P1427 WeakPolarHBondContact CE-O 3.42Å; M1283-S1429 WeakPolarHBondContact CE-OG 3.42Å; M1283-L1430 HydrophobicContact CE-CG 4.01Å; M1283-L1430 HydrophobicContact CG-CD1 4.15Å; M1283-L1430 HydrophobicContact SD-CB 4.13Å; M1283-L1430 HydrophobicContact SD-CD1 3.51Å; M1283-L1430 VanDerWaalsContact SD-CD1 3.51Å; M1283-L1430 HydrophobicContact SD-CG 3.57Å; M1283-L1430 VanDerWaalsContact SD-CG 3.57Å |
| 1284 | V | 73.2 | Confident | 77.2 | Confident | 68 Ų | 68 | 87.4 Ų | 87.4 | 41% | 0.412 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.7 | -44.7 | 170 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | S1280 Q1281 R1282 Q1286 A1288 P1424 | S1280-V1284 WeakPolarHBondContact O-CG2 3.48Å; Q1281-V1284 PolarHBondContact O-N 2.71Å; R1282-V1284 VanDerWaalsContact C-N 3.28Å; R1282-V1284 PolarHBondContact O-N 2.96Å; V1284-Q1286 VanDerWaalsContact C-N 3.32Å; V1284-Q1286 PolarHBondContact O-N 2.7Å; V1284-A1288 PolarHBondContact O-N 3.37Å; V1284-A1288 VanDerWaalsContact O-N 3.14Å; V1284-P1424 HydrophobicContact CG2-CB 3.27Å; V1284-P1424 HydrophobicContact CG2-CG 3.87Å |
| 1285 | E | 77 | Confident | 76.8 | Confident | 97 Ų | 97 | 89.9 Ų | 89.9 | 45% | 0.453 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.9 | -33.9 | 177.8 | -64.3 | 179.1 | -175.2 | 0 | 0 | 112.1 | Q1281 R1282 R1289 | Q1281-E1285 PolarHBondContact O-N 3.04Å; R1282-E1285 PolarHBondContact O-N 3.41Å; R1282-E1285 VanDerWaalsContact O-N 3.16Å; E1285-R1289 PolarHBondContact O-N 3.31Å |
| 1286 | Q | 74.1 | Confident | 76.5 | Confident | 112 Ų | 112 | 89.1 Ų | 89.1 | 52% | 0.523 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -72.9 | -45.2 | 178.6 | -168.5 | 164.1 | -11.1 | 0 | 0 | 112.3 | R1282 V1284 A1288 R1289 E1290 | R1282-Q1286 PolarHBondContact O-N 3.21Å; V1284-Q1286 VanDerWaalsContact C-N 3.32Å; V1284-Q1286 PolarHBondContact O-N 2.7Å; Q1286-A1288 PolarHBondContact O-N 2.81Å; Q1286-R1289 WeakPolarHBondContact O-CB 3.44Å; Q1286-R1289 PolarHBondContact O-N 3.22Å; Q1286-R1289 VanDerWaalsContact O-N 3.08Å; Q1286-E1290 PolarHBondContact O-N 2.93Å |
| 1287 | A | 71.4 | Confident | 76.3 | Confident | 34 Ų | 34 | 90.5 Ų | 90.5 | 28% | 0.281 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.3 | -22.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | M1283 K1291 P1427 | M1283-A1287 WeakPolarHBondContact O-CB 3.3Å; M1283-A1287 PolarHBondContact O-N 3.48Å; A1287-K1291 VanDerWaalsContact O-CB 3.29Å; A1287-K1291 WeakPolarHBondContact O-CB 3.41Å; A1287-K1291 PolarHBondContact O-N 3.14Å; A1287-P1427 HydrophobicContact CB-CB 4.34Å; A1287-P1427 HydrophobicContact CB-CG 3.67Å |
| 1288 | A | 75 | Confident | 76.1 | Confident | 58 Ų | 58 | 89.7 Ų | 89.7 | 48% | 0.479 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.1 | -42.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1284 Q1286 T1292 | V1284-A1288 PolarHBondContact O-N 3.37Å; V1284-A1288 VanDerWaalsContact O-N 3.14Å; Q1286-A1288 PolarHBondContact O-N 2.81Å; A1288-T1292 PolarHBondContact O-OG1 3.08Å |
| 1289 | R | 78.1 | Confident | 75.8 | Confident | 160 Ų | 160 | 90.7 Ų | 90.7 | 60% | 0.604 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -65.4 | -53.1 | 176 | -73.2 | -179.3 | 171.9 | 96.9 | -5.1 | 112.3 | E1285 Q1286 K1291 T1292 E1293 | E1285-R1289 PolarHBondContact O-N 3.31Å; Q1286-R1289 WeakPolarHBondContact O-CB 3.44Å; Q1286-R1289 PolarHBondContact O-N 3.22Å; Q1286-R1289 VanDerWaalsContact O-N 3.08Å; R1289-K1291 PolarHBondContact O-N 3.16Å; R1289-T1292 WeakPolarHBondContact O-CA 3.33Å; R1289-T1292 VanDerWaalsContact O-CB 3.29Å; R1289-T1292 WeakPolarHBondContact O-CB 3.4Å; R1289-T1292 PolarHBondContact O-N 2.8Å; R1289-E1293 PolarHBondContact O-N 2.78Å; R1289-E1293 VanDerWaalsContact O-N 3.08Å |
| 1290 | E | 75.2 | Confident | 75.8 | Confident | 81 Ų | 81 | 93.7 Ų | 93.7 | 38% | 0.379 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.3 | -34.5 | -176.2 | -163.7 | -161.8 | 159 | 0 | 0 | 112.1 | Q1286 T1292 E1293 K1294 | Q1286-E1290 PolarHBondContact O-N 2.93Å; E1290-T1292 VanDerWaalsContact C-N 3.26Å; E1290-T1292 PolarHBondContact O-N 3.24Å; E1290-E1293 PolarHBondContact O-N 2.99Å; E1290-K1294 WeakPolarHBondContact O-CG 3.33Å; E1290-K1294 PolarHBondContact O-N 3.1Å; E1290-K1294 VanDerWaalsContact O-N 3.13Å; E1290-K1294 WeakPolarHBondContact OE1-CE 3.41Å; E1290-K1294 IonicContact OE1-NZ 2.79Å; E1290-K1294 PolarHBondContact OE1-NZ 3.47Å |
| 1291 | K | 75 | Confident | 75.7 | Confident | 156 Ų | 156 | 100 Ų | 100 | 68% | 0.678 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -70 | -21.1 | 174.9 | -166.7 | 173 | -175 | 179.8 | 0 | 113.5 | A1287 R1289 I1295 | A1287-K1291 VanDerWaalsContact O-CB 3.29Å; A1287-K1291 WeakPolarHBondContact O-CB 3.41Å; A1287-K1291 PolarHBondContact O-N 3.14Å; R1289-K1291 PolarHBondContact O-N 3.16Å; K1291-I1295 WeakPolarHBondContact O-CD1 3.5Å; K1291-I1295 WeakPolarHBondContact O-CG1 3.18Å |
| 1292 | T | 78.3 | Confident | 75.6 | Confident | 81 Ų | 81 | 100.8 Ų | 100.8 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -84 | -43.2 | 174.5 | -52.8 | 0 | 0 | 0 | 0 | 110.6 | A1288 R1289 E1290 K1294 I1295 I1296 | A1288-T1292 PolarHBondContact O-OG1 3.08Å; R1289-T1292 WeakPolarHBondContact O-CA 3.33Å; R1289-T1292 VanDerWaalsContact O-CB 3.29Å; R1289-T1292 WeakPolarHBondContact O-CB 3.4Å; R1289-T1292 PolarHBondContact O-N 2.8Å; E1290-T1292 VanDerWaalsContact C-N 3.26Å; E1290-T1292 PolarHBondContact O-N 3.24Å; T1292-K1294 VanDerWaalsContact C-N 3.34Å; T1292-K1294 PolarHBondContact O-N 3.48Å; T1292-I1295 WeakPolarHBondContact O-CB 3.24Å; T1292-I1295 PolarHBondContact O-N 2.96Å; T1292-I1295 VanDerWaalsContact O-N 3.12Å; T1292-I1296 HydrophobicContact CG2-CD1 4.27Å; T1292-I1296 PolarHBondContact O-N 3.19Å |
| 1293 | E | 78 | Confident | 75.3 | Confident | 122 Ų | 122 | 95.9 Ų | 95.9 | 57% | 0.57 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.9 | -42.1 | 176.2 | -68.9 | 175.7 | 138.6 | 0 | 0 | 112.2 | R1289 E1290 I1295 I1296 S1297 | R1289-E1293 PolarHBondContact O-N 2.78Å; R1289-E1293 VanDerWaalsContact O-N 3.08Å; E1290-E1293 PolarHBondContact O-N 2.99Å; E1293-I1295 PolarHBondContact O-N 2.93Å; E1293-I1296 PolarHBondContact O-N 3.13Å; E1293-I1296 VanDerWaalsContact O-N 3.12Å; E1293-S1297 PolarHBondContact O-N 3.13Å; E1293-S1297 PolarHBondContact O-OG 3.48Å |
| 1294 | K | 77.2 | Confident | 75.2 | Confident | 132 Ų | 132 | 99.7 Ų | 99.7 | 57% | 0.574 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.9 | -24.6 | 176.8 | -74.7 | 172.4 | 175.7 | 172.3 | 0 | 114 | E1290 T1292 A1298 | E1290-K1294 WeakPolarHBondContact O-CG 3.33Å; E1290-K1294 PolarHBondContact O-N 3.1Å; E1290-K1294 VanDerWaalsContact O-N 3.13Å; E1290-K1294 WeakPolarHBondContact OE1-CE 3.41Å; E1290-K1294 IonicContact OE1-NZ 2.79Å; E1290-K1294 PolarHBondContact OE1-NZ 3.47Å; T1292-K1294 VanDerWaalsContact C-N 3.34Å; T1292-K1294 PolarHBondContact O-N 3.48Å; K1294-A1298 WeakPolarHBondContact O-CB 3.31Å; K1294-A1298 PolarHBondContact O-N 2.92Å |
| 1295 | I | 77.8 | Confident | 74.7 | Confident | 109 Ų | 109 | 100.2 Ų | 100.2 | 56% | 0.559 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -76.1 | -42.9 | 172.6 | -66.2 | 167.6 | 0 | 0 | 0 | 110.2 | K1291 T1292 E1293 A1298 E1299 | K1291-I1295 WeakPolarHBondContact O-CD1 3.5Å; K1291-I1295 WeakPolarHBondContact O-CG1 3.18Å; T1292-I1295 WeakPolarHBondContact O-CB 3.24Å; T1292-I1295 PolarHBondContact O-N 2.96Å; T1292-I1295 VanDerWaalsContact O-N 3.12Å; E1293-I1295 PolarHBondContact O-N 2.93Å; I1295-A1298 PolarHBondContact O-N 2.82Å; I1295-E1299 PolarHBondContact O-N 3.14Å |
| 1296 | I | 78 | Confident | 73.7 | Confident | 98 Ų | 98 | 99.9 Ų | 99.9 | 50% | 0.503 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.5 | -46.6 | 179.2 | -63.9 | 166.9 | 0 | 0 | 0 | 110.8 | T1292 E1293 A1298 E1299 L1300 | T1292-I1296 HydrophobicContact CG2-CD1 4.27Å; T1292-I1296 PolarHBondContact O-N 3.19Å; E1293-I1296 PolarHBondContact O-N 3.13Å; E1293-I1296 VanDerWaalsContact O-N 3.12Å; I1296-A1298 VanDerWaalsContact C-N 3.32Å; I1296-A1298 PolarHBondContact O-N 3.31Å; I1296-E1299 PolarHBondContact O-N 3.36Å; I1296-L1300 HydrophobicContact CG2-CD1 4.05Å; I1296-L1300 PolarHBondContact O-N 2.67Å; I1296-L1300 VanDerWaalsContact O-N 3.07Å |
| 1297 | S | 77 | Confident | 72.6 | Confident | 67 Ų | 67 | 100.4 Ų | 100.4 | 47% | 0.469 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.3 | -33.9 | -180 | -58.8 | 0 | 0 | 0 | 0 | 113.3 | E1293 L1300 Q1301 | E1293-S1297 PolarHBondContact O-N 3.13Å; E1293-S1297 PolarHBondContact O-OG 3.48Å; S1297-L1300 PolarHBondContact O-N 3.36Å; S1297-Q1301 PolarHBondContact O-N 2.84Å |
| 1298 | A | 77.1 | Confident | 71.8 | Confident | 48 Ų | 48 | 105.6 Ų | 105.6 | 40% | 0.397 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.2 | -37.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K1294 I1295 I1296 K1302 | K1294-A1298 WeakPolarHBondContact O-CB 3.31Å; K1294-A1298 PolarHBondContact O-N 2.92Å; I1295-A1298 PolarHBondContact O-N 2.82Å; I1296-A1298 VanDerWaalsContact C-N 3.32Å; I1296-A1298 PolarHBondContact O-N 3.31Å; A1298-K1302 PolarHBondContact O-N 3.01Å |
| 1299 | E | 76.8 | Confident | 71 | Confident | 106 Ų | 106 | 108.2 Ų | 108.2 | 50% | 0.495 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -75.5 | -32.5 | 173.9 | -65.3 | -57 | 139.2 | 0 | 0 | 112.2 | I1295 I1296 K1302 A1303 | I1295-E1299 PolarHBondContact O-N 3.14Å; I1296-E1299 PolarHBondContact O-N 3.36Å; E1299-K1302 PolarHBondContact O-N 2.94Å; E1299-K1302 IonicContact OE1-NZ 3.38Å; E1299-K1302 PolarHBondContact OE1-NZ 3.06Å; E1299-K1302 VanDerWaalsContact OE2-CD 3.27Å; E1299-K1302 WeakPolarHBondContact OE2-CD 3.39Å; E1299-K1302 IonicContact OE2-NZ 3.43Å; E1299-K1302 PolarHBondContact OE2-NZ 3.2Å; E1299-A1303 PolarHBondContact O-N 2.93Å; E1299-A1303 VanDerWaalsContact O-N 3.1Å |
| 1300 | L | 75.8 | Confident | 69.1 | Low | 112 Ų | 112 | 108.2 Ų | 108.2 | 59% | 0.586 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62.8 | -41.4 | 171.2 | -77.2 | 169.2 | 0 | 0 | 0 | 112.4 | I1296 S1297 A1303 A1304 | I1296-L1300 HydrophobicContact CG2-CD1 4.05Å; I1296-L1300 PolarHBondContact O-N 2.67Å; I1296-L1300 VanDerWaalsContact O-N 3.07Å; S1297-L1300 PolarHBondContact O-N 3.36Å; L1300-A1303 PolarHBondContact O-N 2.96Å; L1300-A1304 PolarHBondContact O-N 3.34Å; L1300-A1304 VanDerWaalsContact O-N 3.08Å |
| 1301 | Q | 71.7 | Confident | 67.4 | Low | 153 Ų | 153 | 108.3 Ų | 108.3 | 72% | 0.715 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -67 | -33.8 | 175.8 | -83.6 | -173.6 | -48.4 | 0 | 0 | 113.2 | S1297 A1304 A1305 | S1297-Q1301 PolarHBondContact O-N 2.84Å; Q1301-A1304 PolarHBondContact O-N 3.26Å; Q1301-A1305 PolarHBondContact O-N 2.93Å |
| 1302 | K | 74.2 | Confident | 65.9 | Low | 142 Ų | 142 | 108.3 Ų | 108.3 | 62% | 0.617 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -62.5 | -41.2 | 170.4 | -77.9 | 172.4 | 175.9 | 173 | 0 | 112.4 | A1298 E1299 A1304 | A1298-K1302 PolarHBondContact O-N 3.01Å; E1299-K1302 PolarHBondContact O-N 2.94Å; E1299-K1302 IonicContact OE1-NZ 3.38Å; E1299-K1302 PolarHBondContact OE1-NZ 3.06Å; E1299-K1302 VanDerWaalsContact OE2-CD 3.27Å; E1299-K1302 WeakPolarHBondContact OE2-CD 3.39Å; E1299-K1302 IonicContact OE2-NZ 3.43Å; E1299-K1302 PolarHBondContact OE2-NZ 3.2Å; K1302-A1304 VanDerWaalsContact C-N 3.35Å |
| 1303 | A | 71 | Confident | 63.9 | Low | 72 Ų | 72 | 112 Ų | 112 | 60% | 0.595 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67.7 | -34.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E1299 L1300 | E1299-A1303 PolarHBondContact O-N 2.93Å; E1299-A1303 VanDerWaalsContact O-N 3.1Å; L1300-A1303 PolarHBondContact O-N 2.96Å |
| 1304 | A | 67.2 | Low | 62.1 | Low | 86 Ų | 86 | 111.3 Ų | 111.3 | 71% | 0.711 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -77.4 | -14.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L1300 Q1301 K1302 N1306 | L1300-A1304 PolarHBondContact O-N 3.34Å; L1300-A1304 VanDerWaalsContact O-N 3.08Å; Q1301-A1304 PolarHBondContact O-N 3.26Å; K1302-A1304 VanDerWaalsContact C-N 3.35Å; A1304-N1306 VanDerWaalsContact C-N 3.27Å; A1304-N1306 PolarHBondContact O-N 3.39Å |
| 1305 | A | 62.9 | Low | 60.3 | Low | 79 Ų | 79 | 109.6 Ų | 109.6 | 65% | 0.653 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | 10.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q1301 | Q1301-A1305 PolarHBondContact O-N 2.93Š|
| 1306 | N | 55.5 | Low | 58.4 | Low | 89 Ų | 89 | 113.1 Ų | 113.1 | 48% | 0.476 | 65% | 0.653 | S | S | . | * | trans | -95.8 | 112 | -175.3 | -165.3 | 16.6 | 0 | 0 | 0 | 111.3 | A1304 D1308 | A1304-N1306 VanDerWaalsContact C-N 3.27Å; A1304-N1306 PolarHBondContact O-N 3.39Å; N1306-D1308 VanDerWaalsContact C-N 3.31Å; N1306-D1308 PolarHBondContact O-N 3.18Å; N1306-D1308 VanDerWaalsContact O-N 3.15Å | ||
| 1307 | P | 51.9 | Low | 56.2 | Low | 123 Ų | 123 | 115.1 Ų | 115.1 | 80% | 0.799 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -22.7 | -164.8 | -26.3 | 36.2 | 0 | 0 | 0 | 117 | L1309 | P1307-L1309 PolarHBondContact O-N 2.77Š|
| 1308 | D | 55.4 | Low | 54.3 | Low | 144 Ų | 144 | 119.5 Ų | 119.5 | 77% | 0.77 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -1.6 | -173.4 | -65.8 | -42.5 | 0 | 0 | 0 | 114.5 | N1306 | N1306-D1308 VanDerWaalsContact C-N 3.31Å; N1306-D1308 PolarHBondContact O-N 3.18Å; N1306-D1308 VanDerWaalsContact O-N 3.15Å |
| 1309 | L | 56.8 | Low | 52.3 | Low | 113 Ų | 113 | 122 Ų | 122 | 59% | 0.592 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -116.5 | 87 | -170.2 | -74.3 | 170.4 | 0 | 0 | 0 | 115.1 | P1307 | P1307-L1309 PolarHBondContact O-N 2.77Š|
| 1310 | Q | 39 | Very low | 50.4 | Low | 159 Ų | 159 | 121.1 Ų | 121.1 | 74% | 0.743 | 70% | 0.698 | S | S | * | * | trans | 71.7 | 112.8 | 136 | -62.6 | 170.1 | -26.4 | 0 | 0 | 119.9 | ||||
| 1311 | G | 38.2 | Very low | 48.5 | Very low | 83 Ų | 83 | 124.3 Ų | 124.3 | 86% | 0.856 | 71% | 0.708 | S | S | * | * | trans | -132.7 | 113.9 | 153 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1312 | H | 45 | Very low | 46.8 | Very low | 156 Ų | 156 | 121.9 Ų | 121.9 | 72% | 0.722 | 70% | 0.7 | S | S | * | * | trans | -98.7 | 119.5 | -175 | -91.8 | -86 | 0 | 0 | 0 | 113.5 | ||||
| 1313 | L | 35.8 | Very low | 45.1 | Very low | 159 Ų | 159 | 124.7 Ų | 124.7 | 83% | 0.832 | 71% | 0.706 | S | S | * | * | trans | 64.1 | 160.7 | 145.9 | -65.1 | 167.2 | 0 | 0 | 0 | 119.5 | ||||
| 1314 | P | 40 | Very low | 43.5 | Very low | 108 Ų | 108 | 127.4 Ų | 127.4 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | trans | -124.8 | -177.2 | -157.9 | 43.3 | -30.1 | 0 | 0 | 0 | 115.3 | ||||
| 1315 | S | 39.8 | Very low | 42 | Very low | 96 Ų | 96 | 129.2 Ų | 129.2 | 67% | 0.671 | 72% | 0.717 | S | S | * | * | 155.6 | 160 | 120.1 | 58.5 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 1316 | F | 36.6 | Very low | 40.7 | Very low | 183 Ų | 183 | 130.6 Ų | 130.6 | 80% | 0.803 | 72% | 0.722 | S | S | * | * | trans | 62.9 | 165.2 | 167.5 | -66.3 | -87.5 | 0 | 0 | 0 | 120.8 | ||||
| 1317 | Q | 33.7 | Very low | 39.7 | Very low | 139 Ų | 139 | 131 Ų | 131 | 65% | 0.65 | 73% | 0.732 | S | S | * | * | -173.7 | 150.7 | -63.6 | -125.3 | -170.5 | -6.3 | 0 | 0 | 111.8 | |||||
| 1318 | Q | 35.2 | Very low | 38.9 | Very low | 159 Ų | 159 | 131.5 Ų | 131.5 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | trans | 66.3 | 158.2 | 157.8 | -60.3 | 174.4 | 38.3 | 0 | 0 | 118 | ||||
| 1319 | S | 35.6 | Very low | 37.8 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 71% | 0.713 | 73% | 0.73 | S | S | * | * | cis | -170.7 | 171.1 | -26.5 | 61.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 1320 | A | 37 | Very low | 36.9 | Very low | 87 Ų | 87 | 129.8 Ų | 129.8 | 72% | 0.719 | 74% | 0.741 | S | S | * | * | trans | 76.8 | 152 | 161.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1321 | F | 37.1 | Very low | 36.5 | Very low | 179 Ų | 179 | 127.4 Ų | 127.4 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | cis | -164.5 | 151 | -0.8 | -134 | -148.4 | 0 | 0 | 0 | 114 | ||||
| 1322 | N | 36.1 | Very low | 36.5 | Very low | 102 Ų | 102 | 129.2 Ų | 129.2 | 55% | 0.545 | 74% | 0.739 | S | S | . | * | trans | 65.4 | 151.3 | 155.6 | -69.8 | -27 | 0 | 0 | 0 | 120.5 | ||||
| 1323 | R | 37.9 | Very low | 36.1 | Very low | 200 Ų | 200 | 129.9 Ų | 129.9 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | cis | -163 | 134.1 | -3.3 | -116.6 | 165 | -162.2 | -170.3 | 1.5 | 113 | ||||
| 1324 | V | 37.1 | Very low | 35.9 | Very low | 129 Ų | 129 | 130.8 Ų | 130.8 | 78% | 0.782 | 74% | 0.742 | S | S | * | * | 59.2 | 136.6 | 121.7 | 166.4 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 1325 | V | 36.4 | Very low | 35.7 | Very low | 124 Ų | 124 | 130 Ų | 130 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | cis | -142.8 | 153 | 29 | -143.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1326 | S | 34.3 | Very low | 35.4 | Very low | 108 Ų | 108 | 134.1 Ų | 134.1 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | 42.4 | 147.9 | 146.3 | -71.3 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1327 | S | 35.6 | Very low | 35.2 | Very low | 99 Ų | 99 | 132.2 Ų | 132.2 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | cis | -174.2 | 137 | -13.4 | 52 | 0 | 0 | 0 | 0 | 113 | ||||
| 1328 | V | 35.4 | Very low | 35.4 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | trans | 29.9 | 134.3 | 159.5 | -59.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1329 | S | 32.1 | Very low | 35.4 | Very low | 102 Ų | 102 | 134.1 Ų | 134.1 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | cis | 78.9 | 104.3 | 16.9 | 90 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1330 | S | 36.4 | Very low | 35.4 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | 167.3 | 145.8 | 121 | -82.4 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1331 | S | 31.9 | Very low | 35.4 | Very low | 110 Ų | 110 | 141.3 Ų | 141.3 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | 72.4 | 108.4 | 157 | -167.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 1332 | P | 38.5 | Very low | 35.3 | Very low | 121 Ų | 121 | 140.5 Ų | 140.5 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | trans | -117.7 | 153.8 | 157.6 | 38 | -27.2 | 0 | 0 | 0 | 113.8 | ||||
| 1333 | H | 34.9 | Very low | 35.4 | Very low | 169 Ų | 169 | 141.3 Ų | 141.3 | 78% | 0.782 | 78% | 0.781 | S | S | * | * | trans | -146.3 | 132.2 | 164.5 | -110.2 | -79.9 | 0 | 0 | 0 | 110.4 | ||||
| 1334 | Q | 33.5 | Very low | 35.4 | Very low | 179 Ų | 179 | 137.6 Ų | 137.6 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | trans | 59.3 | 110.1 | 156 | -71.8 | 177.2 | -22.5 | 0 | 0 | 121 | ||||
| 1335 | A | 34.2 | Very low | 35.3 | Very low | 91 Ų | 91 | 134.7 Ų | 134.7 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | 128.7 | 120.9 | 107.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 1336 | M | 33.3 | Very low | 35.3 | Very low | 182 Ų | 182 | 135.9 Ų | 135.9 | 90% | 0.897 | 76% | 0.763 | S | S | * | * | trans | 58.2 | 117 | 147.9 | -68.9 | 175.1 | 152.4 | 0 | 0 | 121.4 | ||||
| 1337 | D | 34 | Very low | 35.4 | Very low | 144 Ų | 144 | 139.4 Ų | 139.4 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | -170.6 | 145 | 121.6 | -104.7 | -13.7 | 0 | 0 | 0 | 113.2 | |||||
| 1338 | Y | 36.9 | Very low | 35.4 | Very low | 191 Ų | 191 | 141.1 Ų | 141.1 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | trans | 40.7 | 140 | 159 | -69.4 | -87.5 | 0 | 0 | 0 | 126.5 | ||||
| 1339 | D | 35.4 | Very low | 35.5 | Very low | 147 Ų | 147 | 141.4 Ų | 141.4 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | trans | 46.7 | 133.4 | 147.2 | -52.9 | -19.3 | 0 | 0 | 0 | 124.4 | ||||
| 1340 | D | 35.8 | Very low | 35.7 | Very low | 165 Ų | 165 | 145.7 Ų | 145.7 | 88% | 0.882 | 77% | 0.765 | S | S | * | * | 179.7 | 178.1 | 105 | -147.6 | -15.7 | 0 | 0 | 0 | 112.3 | |||||
| 1341 | E | 35.9 | Very low | 35.6 | Very low | 174 Ų | 174 | 146.4 Ų | 146.4 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | trans | -100.4 | 171.8 | -165.7 | -57.3 | -168.2 | 129.7 | 0 | 0 | 119.6 | ||||
| 1342 | E | 36 | Very low | 35.9 | Very low | 162 Ų | 162 | 145.1 Ų | 145.1 | 76% | 0.757 | 74% | 0.743 | S | S | * | * | trans | 67.5 | 111.7 | 153.3 | -72.2 | -153.7 | 144.3 | 0 | 0 | 125.9 | ||||
| 1343 | T | 38.1 | Very low | 35.8 | Very low | 119 Ų | 119 | 150.4 Ų | 150.4 | 73% | 0.73 | 75% | 0.749 | S | S | * | * | trans | 79.5 | 112.2 | 130.5 | 64.6 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 1344 | D | 37.4 | Very low | 35.7 | Very low | 122 Ų | 122 | 145.4 Ų | 145.4 | 65% | 0.652 | 74% | 0.743 | S | S | * | * | 73.3 | 109.3 | 120.5 | -173.1 | 55.5 | 0 | 0 | 0 | 125.2 | K1497 | D1344-K1497 PolarHBondContact O-NZ 3.14Å; D1344-K1497 IonicContact OD2-NZ 3.12Å; D1344-K1497 PolarHBondContact OD2-NZ 3.01Å | |||
| 1345 | S | 35.5 | Very low | 35.8 | Very low | 68 Ų | 68 | 147.7 Ų | 147.7 | 48% | 0.476 | 75% | 0.746 | S | S | . | * | 161.6 | 139 | 104.8 | 63 | 0 | 0 | 0 | 0 | 119.5 | K1497 | S1345-K1497 WeakPolarHBondContact OG-CE 3.44Å; S1345-K1497 PolarHBondContact OG-NZ 2.93Å | |||
| 1346 | D | 37.3 | Very low | 35.9 | Very low | 149 Ų | 149 | 149.8 Ų | 149.8 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | trans | 58.4 | 156 | 131.4 | -70.5 | -29.5 | 0 | 0 | 0 | 128.3 | ||||
| 1347 | E | 35.1 | Very low | 35.9 | Very low | 183 Ų | 183 | 147.4 Ų | 147.4 | 86% | 0.855 | 73% | 0.732 | S | S | * | * | trans | 74.9 | 150 | 167.7 | -44.9 | -156.5 | 135.9 | 0 | 0 | 118.4 | ||||
| 1348 | D | 35.4 | Very low | 35.8 | Very low | 134 Ų | 134 | 147.7 Ų | 147.7 | 72% | 0.717 | 73% | 0.727 | S | S | * | * | cis | -158.8 | -178.5 | 13.1 | -164.6 | 8.4 | 0 | 0 | 0 | 113.5 | ||||
| 1349 | I | 37.5 | Very low | 35.7 | Very low | 138 Ų | 138 | 145.2 Ų | 145.2 | 71% | 0.708 | 73% | 0.727 | S | S | * | * | trans | 104.2 | 89.3 | 149.6 | -64.5 | 158.5 | 0 | 0 | 0 | 120.7 | ||||
| 1350 | R | 35.9 | Very low | 35.4 | Very low | 192 Ų | 192 | 144.2 Ų | 144.2 | 73% | 0.725 | 73% | 0.726 | S | S | * | * | 76.7 | 127.1 | 115.1 | -149.2 | -175.8 | 103.5 | 161.6 | 2.8 | 123.1 | |||||
| 1351 | E | 35.5 | Very low | 35.3 | Very low | 134 Ų | 134 | 140.9 Ų | 140.9 | 63% | 0.626 | 72% | 0.721 | S | S | * | * | -171.5 | -156.7 | 114.9 | -86.6 | -63.3 | -158.9 | 0 | 0 | 113.4 | |||||
| 1352 | T | 37.4 | Very low | 35 | Very low | 84 Ų | 84 | 138 Ų | 138 | 52% | 0.515 | 72% | 0.721 | S | S | . | * | -155.4 | 163.7 | -124.9 | -67.6 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 1353 | Y | 36.6 | Very low | 34.7 | Very low | 232 Ų | 232 | 136.2 Ų | 136.2 | 91% | 0.91 | 72% | 0.72 | S | S | * | * | trans | 77.8 | 144.5 | 178.2 | -47.8 | -70.2 | 0 | 0 | 0 | 116.8 | ||||
| 1354 | G | 33.9 | Very low | 34.4 | Very low | 63 Ų | 63 | 140.3 Ų | 140.3 | 65% | 0.649 | 73% | 0.728 | S | S | * | * | cis | 170.3 | 147.3 | -10.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1355 | Y | 35.8 | Very low | 34.2 | Very low | 228 Ų | 228 | 139.8 Ų | 139.8 | 89% | 0.894 | 73% | 0.734 | S | S | * | * | trans | 69 | 127.3 | -178 | -65.9 | -92.4 | 0 | 0 | 0 | 116.3 | ||||
| 1356 | D | 34.7 | Very low | 34.1 | Very low | 134 Ų | 134 | 141.8 Ų | 141.8 | 72% | 0.717 | 75% | 0.748 | S | S | * | * | 79.5 | 129.8 | 54.4 | -145 | 35.1 | 0 | 0 | 0 | 111.9 | |||||
| 1357 | M | 34.3 | Very low | 33.9 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 65% | 0.65 | 75% | 0.749 | S | S | * | * | cis | -146 | -163.3 | 20.1 | -138.1 | -134.4 | -151.6 | 0 | 0 | 114.9 | ||||
| 1358 | K | 32.3 | Very low | 33.9 | Very low | 151 Ų | 151 | 136.5 Ų | 136.5 | 66% | 0.657 | 74% | 0.743 | S | S | * | * | trans | -58 | 173.3 | 178.3 | -56.1 | -179.2 | -162.1 | 122.4 | 0 | 114.1 | ||||
| 1359 | D | 33.6 | Very low | 33.9 | Very low | 139 Ų | 139 | 137.8 Ų | 137.8 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | cis | -161.5 | -174.5 | 41.3 | -133.2 | -41.3 | 0 | 0 | 0 | 117 | ||||
| 1360 | T | 29.7 | Very low | 33.5 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 77% | 0.767 | 75% | 0.751 | S | S | * | * | trans | -94.4 | 162.1 | -164.8 | 63.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1361 | A | 32.6 | Very low | 33.4 | Very low | 96 Ų | 96 | 133.5 Ų | 133.5 | 79% | 0.793 | 74% | 0.741 | S | S | * | * | trans | 93.6 | 126.1 | 146.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1362 | S | 29.5 | Very low | 33.3 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | trans | -74.2 | 150.6 | 161.1 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1363 | V | 31.5 | Very low | 33.1 | Very low | 123 Ų | 123 | 137 Ų | 137 | 75% | 0.745 | 76% | 0.76 | S | S | * | * | trans | 155.8 | 125.1 | 131.8 | 159.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1364 | K | 31.8 | Very low | 32.8 | Very low | 206 Ų | 206 | 135.3 Ų | 135.3 | 90% | 0.896 | 76% | 0.757 | S | S | * | * | trans | -178.9 | 120.6 | 135.5 | -103.7 | 162.3 | -173.3 | -179 | 0 | 115.1 | ||||
| 1365 | S | 31.9 | Very low | 32.6 | Very low | 111 Ų | 111 | 137.5 Ų | 137.5 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | -155.6 | 146.6 | 140 | 51.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1366 | S | 33.6 | Very low | 32.3 | Very low | 110 Ų | 110 | 133.2 Ų | 133.2 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | cis | -154.3 | 138.6 | -23.3 | -83.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1367 | S | 33.7 | Very low | 32.2 | Very low | 118 Ų | 118 | 135.4 Ų | 135.4 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | trans | 156.1 | 155.2 | 159.8 | 41.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1368 | S | 33.7 | Very low | 32.1 | Very low | 102 Ų | 102 | 137 Ų | 137 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | cis | -177.3 | 164.4 | -49.6 | 41.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1369 | L | 35.5 | Very low | 31.9 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | trans | 70 | 134.3 | -171.6 | -45.6 | 163.9 | 0 | 0 | 0 | 113.9 | ||||
| 1370 | E | 30.2 | Very low | 31.9 | Very low | 161 Ų | 161 | 135.8 Ų | 135.8 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | cis | -156.9 | 177.8 | -18 | -114.3 | -59.1 | 80 | 0 | 0 | 105.4 | ||||
| 1371 | P | 34.2 | Very low | 31.7 | Very low | 79 Ų | 79 | 137.3 Ų | 137.3 | 51% | 0.513 | 77% | 0.774 | S | S | . | * | -118.3 | -159.7 | -126.6 | 39.8 | -23 | 0 | 0 | 0 | 114.8 | |||||
| 1372 | N | 32.9 | Very low | 31.6 | Very low | 138 Ų | 138 | 141.6 Ų | 141.6 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | 81 | 151.9 | 170.2 | -51.6 | -42 | 0 | 0 | 0 | 116.7 | ||||
| 1373 | L | 32.2 | Very low | 31.6 | Very low | 153 Ų | 153 | 141 Ų | 141 | 80% | 0.801 | 77% | 0.77 | S | S | * | * | cis | -171.2 | 164.6 | -40.4 | -122.6 | 166.5 | 0 | 0 | 0 | 106.4 | C1375 | L1373-C1375 PolarHBondContact O-N 3.32Š| ||
| 1374 | F | 30.7 | Very low | 31.6 | Very low | 196 Ų | 196 | 143.7 Ų | 143.7 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | -70.3 | 120.5 | 157.4 | -96.2 | -113.2 | 0 | 0 | 0 | 108.3 | ||||
| 1375 | C | 29.7 | Very low | 31.5 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | -174.1 | 173.1 | 110.3 | -110.7 | 0 | 0 | 0 | 0 | 112.4 | L1373 | L1373-C1375 PolarHBondContact O-N 3.32Š| |||
| 1376 | D | 30.7 | Very low | 31.5 | Very low | 138 Ų | 138 | 143.2 Ų | 143.2 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | trans | -61.8 | -179.8 | -163.4 | -55.4 | -94.8 | 0 | 0 | 0 | 119.1 | ||||
| 1377 | E | 30.8 | Very low | 31.3 | Very low | 180 Ų | 180 | 143.8 Ų | 143.8 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | trans | 85.4 | 125.4 | 156.4 | -74.5 | 177.6 | 168.9 | 0 | 0 | 121.4 | ||||
| 1378 | E | 32.8 | Very low | 31.2 | Very low | 164 Ų | 164 | 143 Ų | 143 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | trans | 57.6 | 115.5 | 151 | -53.3 | -154.2 | 141.2 | 0 | 0 | 120.4 | ||||
| 1379 | I | 29.5 | Very low | 31.2 | Very low | 148 Ų | 148 | 145 Ų | 145 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | 68.8 | 134.9 | 68.8 | -63.5 | 167.2 | 0 | 0 | 0 | 112.1 | |||||
| 1380 | P | 31.7 | Very low | 30.9 | Very low | 117 Ų | 117 | 143 Ų | 143 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | cis | -128.5 | 179.2 | -2.2 | 39.8 | -23.9 | 0 | 0 | 0 | 115.9 | ||||
| 1381 | I | 27.3 | Very low | 30.9 | Very low | 158 Ų | 158 | 145.4 Ų | 145.4 | 81% | 0.81 | 75% | 0.749 | S | S | * | * | trans | -75.7 | 133.6 | 162.2 | -52.5 | 160.1 | 0 | 0 | 0 | 110.3 | ||||
| 1382 | K | 30.2 | Very low | 30.9 | Very low | 185 Ų | 185 | 147.9 Ų | 147.9 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | 163.8 | 159.9 | 132.2 | -94.2 | 170.6 | -176.6 | 178.7 | 0 | 114.6 | ||||
| 1383 | S | 29.4 | Very low | 30.8 | Very low | 103 Ų | 103 | 145.2 Ų | 145.2 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | trans | 70.2 | 149.5 | 162.4 | 5.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1384 | E | 31.4 | Very low | 31 | Very low | 179 Ų | 179 | 143.6 Ų | 143.6 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | cis | -143.9 | 157.4 | -0.3 | -145.8 | 148.2 | -133.2 | 0 | 0 | 112.6 | ||||
| 1385 | E | 29.9 | Very low | 30.9 | Very low | 178 Ų | 178 | 138.9 Ų | 138.9 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | trans | -65.1 | 165.8 | 164.2 | -53.4 | 172.3 | 115.1 | 0 | 0 | 110.3 | ||||
| 1386 | V | 31.8 | Very low | 31 | Very low | 129 Ų | 129 | 142.5 Ų | 142.5 | 78% | 0.782 | 75% | 0.753 | S | S | * | * | trans | 178.4 | 120.8 | 136.9 | 139.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1387 | V | 29.7 | Very low | 30.9 | Very low | 122 Ų | 122 | 140.9 Ų | 140.9 | 74% | 0.739 | 75% | 0.751 | S | S | * | * | trans | 58.7 | 135.8 | 138.2 | 172.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1388 | T | 31.2 | Very low | 31 | Very low | 100 Ų | 100 | 136.3 Ų | 136.3 | 61% | 0.613 | 75% | 0.745 | S | S | * | * | cis | -158.9 | -173.1 | -13.8 | 27.6 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 1389 | H | 33.4 | Very low | 30.8 | Very low | 144 Ų | 144 | 136.2 Ų | 136.2 | 67% | 0.667 | 74% | 0.744 | S | S | * | * | cis | -143.3 | 163.5 | 18.1 | -94.7 | -59.6 | 0 | 0 | 0 | 108.1 | ||||
| 1390 | M | 28.7 | Very low | 31 | Very low | 121 Ų | 121 | 137.5 Ų | 137.5 | 60% | 0.596 | 75% | 0.747 | S | S | * | * | 45.3 | 127.5 | 75.4 | -47.6 | 166.6 | 62.8 | 0 | 0 | 113.3 | |||||
| 1391 | W | 30.9 | Very low | 31.2 | Very low | 212 Ų | 212 | 135.2 Ų | 135.2 | 80% | 0.803 | 74% | 0.737 | S | S | * | * | cis | -135.6 | -178 | 16.8 | -52.1 | 72 | 0 | 0 | 0 | 108.6 | ||||
| 1392 | T | 33.2 | Very low | 31.5 | Very low | 130 Ų | 130 | 137.8 Ų | 137.8 | 80% | 0.798 | 74% | 0.738 | S | S | * | * | cis | -152.5 | 174.8 | 10 | -26.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1393 | A | 30.7 | Very low | 31.6 | Very low | 83 Ų | 83 | 133.9 Ų | 133.9 | 69% | 0.686 | 73% | 0.734 | S | S | * | * | trans | -137.8 | -161.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1394 | P | 37.6 | Very low | 31.9 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | cis | -139.4 | -170.4 | -9.7 | 39.3 | -19.4 | 0 | 0 | 0 | 115.1 | ||||
| 1395 | S | 28.1 | Very low | 32 | Very low | 97 Ų | 97 | 130.1 Ų | 130.1 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | trans | 89.8 | 156.6 | 141.2 | -152.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1396 | F | 32.5 | Very low | 32.3 | Very low | 186 Ų | 186 | 127 Ų | 127 | 82% | 0.816 | 73% | 0.731 | S | S | * | * | trans | 67.5 | 136.2 | -177.5 | -68 | -92 | 0 | 0 | 0 | 117.6 | ||||
| 1397 | C | 28.1 | Very low | 32.4 | Very low | 104 Ų | 104 | 130.5 Ų | 130.5 | 70% | 0.703 | 74% | 0.736 | S | S | * | * | cis | -174.8 | 174.7 | -27 | -117.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1398 | A | 33.5 | Very low | 32.6 | Very low | 85 Ų | 85 | 129.1 Ų | 129.1 | 70% | 0.702 | 73% | 0.732 | S | S | * | * | trans | 62.3 | 114.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1399 | E | 28.8 | Very low | 32.6 | Very low | 161 Ų | 161 | 130.2 Ų | 130.2 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | cis | 117.6 | 156.7 | 19.3 | -80.2 | -179.7 | 112.3 | 0 | 0 | 111.3 | ||||
| 1400 | H | 33.8 | Very low | 32.5 | Very low | 176 Ų | 176 | 128.1 Ų | 128.1 | 82% | 0.815 | 74% | 0.744 | S | S | * | * | trans | 70.6 | 133.3 | 175.8 | -57.1 | -72.2 | 0 | 0 | 0 | 118.3 | ||||
| 1401 | A | 34.4 | Very low | 32.4 | Very low | 68 Ų | 68 | 131.4 Ų | 131.4 | 56% | 0.562 | 76% | 0.758 | S | S | * | * | cis | -161.4 | 159.1 | -18.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1402 | Y | 33.4 | Very low | 32.5 | Very low | 213 Ų | 213 | 125.3 Ų | 125.3 | 84% | 0.835 | 76% | 0.761 | S | S | * | * | trans | 63.8 | 111 | 171 | -64 | -78.8 | 0 | 0 | 0 | 116.3 | ||||
| 1403 | S | 33.9 | Very low | 32.4 | Very low | 103 Ų | 103 | 124.1 Ų | 124.1 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | cis | 68.5 | 140.7 | 38.2 | -37.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1404 | S | 34.7 | Very low | 32.5 | Very low | 110 Ų | 110 | 124.3 Ų | 124.3 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | cis | -140.6 | 148.4 | 11.7 | -65.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1405 | A | 34.3 | Very low | 32.1 | Very low | 92 Ų | 92 | 125.1 Ų | 125.1 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | 66.8 | 124.9 | 57.1 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 1406 | S | 36.1 | Very low | 32.4 | Very low | 114 Ų | 114 | 125.2 Ų | 125.2 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | trans | 154.1 | 136.4 | 141.9 | -83.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1407 | K | 32.8 | Very low | 32 | Very low | 201 Ų | 201 | 128.6 Ų | 128.6 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | 69.6 | 152.2 | 164.2 | -62.1 | -179.6 | -178.2 | -178 | 0 | 119 | ||||
| 1408 | S | 35.4 | Very low | 32 | Very low | 93 Ų | 93 | 132.2 Ų | 132.2 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | 167.4 | 130.1 | -51.2 | 49.7 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 1409 | C | 31.1 | Very low | 31.6 | Very low | 124 Ų | 124 | 136.9 Ų | 136.9 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | trans | 62.3 | 155.4 | 169.8 | -60 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1410 | S | 30.8 | Very low | 31.5 | Very low | 100 Ų | 100 | 135 Ų | 135 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | cis | -160.2 | 123.2 | -24.4 | -92.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1411 | Q | 26.5 | Very low | 31 | Very low | 189 Ų | 189 | 138.6 Ų | 138.6 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | S | Bend | trans | 60.5 | 160.2 | -166.6 | -60.7 | -178.5 | -20.5 | 0 | 0 | 114.2 | S1413 | Q1411-S1413 VanDerWaalsContact C-N 3.32Å; Q1411-S1413 PolarHBondContact O-N 3.19Å |
| 1412 | G | 33 | Very low | 30.8 | Very low | 85 Ų | 85 | 145 Ų | 145 | 88% | 0.876 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 73.1 | 4.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 1413 | S | 31.5 | Very low | 30.5 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -80.9 | 132.8 | -171.5 | 53.2 | 0 | 0 | 0 | 0 | 113.6 | Q1411 | Q1411-S1413 VanDerWaalsContact C-N 3.32Å; Q1411-S1413 PolarHBondContact O-N 3.19Å | ||
| 1414 | S | 32.6 | Very low | 30.4 | Very low | 87 Ų | 87 | 135.8 Ų | 135.8 | 61% | 0.608 | 76% | 0.762 | S | S | * | * | cis | 108.1 | 83 | 14.6 | 82.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1415 | T | 29.1 | Very low | 30.6 | Very low | 134 Ų | 134 | 137.7 Ų | 137.7 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | trans | 72.4 | -176.6 | 133.9 | 79.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1416 | P | 33.3 | Very low | 30.6 | Very low | 99 Ų | 99 | 136.5 Ų | 136.5 | 64% | 0.643 | 75% | 0.746 | S | S | * | * | -132.4 | 142.9 | -109.5 | 34.1 | -11.6 | 0 | 0 | 0 | 116 | K1418 | P1416-K1418 PolarHBondContact O-N 3.04Š| |||
| 1417 | R | 25.9 | Very low | 30.8 | Very low | 258 Ų | 258 | 133.4 Ų | 133.4 | 97% | 0.974 | 72% | 0.724 | S | S | * | * | trans | -76.7 | 112 | 172.9 | -151.2 | 170.3 | -168.3 | 175.6 | 2.5 | 110.8 | ||||
| 1418 | K | 27.5 | Very low | 31.1 | Very low | 180 Ų | 180 | 129.8 Ų | 129.8 | 78% | 0.783 | 70% | 0.704 | S | S | * | * | trans | -71.8 | 170.2 | 178.8 | -66.4 | 176.4 | 178.9 | 173.6 | 0 | 112.2 | P1416 | P1416-K1418 PolarHBondContact O-N 3.04Š| ||
| 1419 | Q | 23.9 | Very low | 31.5 | Very low | 183 Ų | 183 | 129 Ų | 129 | 86% | 0.855 | 70% | 0.699 | S | S | * | * | trans | 81.1 | 148.6 | 173.9 | -53.6 | -179.2 | -7.2 | 0 | 0 | 116 | ||||
| 1420 | P | 27.1 | Very low | 32.1 | Very low | 121 Ų | 121 | 127.5 Ų | 127.5 | 79% | 0.786 | 68% | 0.682 | S | S | * | * | cis | -80.1 | 163.9 | -12 | -8.5 | 27.3 | 0 | 0 | 0 | 112.3 | K1422 | P1420-K1422 PolarHBondContact O-N 3.47Š| ||
| 1421 | R | 24.2 | Very low | 33.1 | Very low | 251 Ų | 251 | 130.7 Ų | 130.7 | 95% | 0.947 | 69% | 0.686 | S | S | * | * | trans | -67.3 | 110.5 | 165 | -73.6 | 177.9 | 175.8 | 163.9 | -3.3 | 108.4 | S1423 | R1421-S1423 PolarHBondContact O-N 3.08Š| ||
| 1422 | K | 29.7 | Very low | 34.3 | Very low | 202 Ų | 202 | 124.3 Ų | 124.3 | 88% | 0.878 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 124.3 | 157 | -72.6 | -170.4 | 175.8 | -175.4 | 0 | 107.4 | P1420 | P1420-K1422 PolarHBondContact O-N 3.47Š|
| 1423 | S | 28.3 | Very low | 35.4 | Very low | 62 Ų | 62 | 123.4 Ų | 123.4 | 43% | 0.434 | 64% | 0.639 | S | S | . | * | P | Polyproline II helix | trans | -55.7 | 141 | 174 | 49.3 | 0 | 0 | 0 | 0 | 109.9 | R1421 L1425 | R1421-S1423 PolarHBondContact O-N 3.08Å; S1423-L1425 PolarHBondContact O-N 3.35Å |
| 1424 | P | 30.7 | Very low | 37.2 | Very low | 61 Ų | 61 | 121 Ų | 121 | 40% | 0.396 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -61.3 | 132.6 | 178.4 | -17.1 | 29.6 | 0 | 0 | 0 | 110.6 | V1284 | V1284-P1424 HydrophobicContact CG2-CB 3.27Å; V1284-P1424 HydrophobicContact CG2-CG 3.87Å |
| 1425 | L | 39.1 | Very low | 39.4 | Very low | 151 Ų | 151 | 117.2 Ų | 117.2 | 79% | 0.791 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 129.6 | 168.1 | -78.4 | 167.7 | 0 | 0 | 0 | 108.4 | S1423 P1427 | S1423-L1425 PolarHBondContact O-N 3.35Å; L1425-P1427 WeakPolarHBondContact O-CD 3.4Å |
| 1426 | V | 33.7 | Very low | 41.8 | Very low | 67 Ų | 67 | 119.4 Ų | 119.4 | 41% | 0.406 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -79 | 118.5 | -172.5 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | M1283 | M1283-V1426 HydrophobicContact CB-CG1 3.93Å; M1283-V1426 HydrophobicContact CG-CG1 3.92Å; M1283-V1426 HydrophobicContact SD-CG1 3.28Å; M1283-V1426 WeakPolarHBondContact SD-CG1 3.38Å |
| 1427 | P | 39.9 | Very low | 44.1 | Very low | 49 Ų | 49 | 116 Ų | 116 | 32% | 0.318 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -67.3 | 140.9 | 173.8 | 24.9 | -30.3 | 0 | 0 | 0 | 111 | M1283 A1287 L1425 S1429 | M1283-P1427 HydrophobicContact CB-CG 4.19Å; M1283-P1427 WeakPolarHBondContact CE-O 3.42Å; A1287-P1427 HydrophobicContact CB-CB 4.34Å; A1287-P1427 HydrophobicContact CB-CG 3.67Å; L1425-P1427 WeakPolarHBondContact O-CD 3.4Å; P1427-S1429 PolarHBondContact O-N 3.26Å |
| 1428 | R | 39.3 | Very low | 47 | Very low | 124 Ų | 124 | 105.9 Ų | 105.9 | 47% | 0.468 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -77 | 88.7 | -168.7 | -60.1 | -174.9 | -168.5 | 104.8 | 20.8 | 113.4 | Q1204 D1207 | Q1204-R1428 PolarHBondContact O-NH2 3.45Å; D1207-R1428 IonicContact OD1-CZ 3.71Å; D1207-R1428 IonicContact OD1-NE 3.78Å; D1207-R1428 PolarHBondContact OD1-NE 2.9Å; D1207-R1428 IonicContact OD1-NH2 2.73Å; D1207-R1428 PolarHBondContact OD1-NH2 2.92Å; D1207-R1428 IonicContact OD2-CZ 2.77Å; D1207-R1428 IonicContact OD2-NE 3.16Å; D1207-R1428 PolarHBondContact OD2-NE 2.77Å; D1207-R1428 IonicContact OD2-NH2 2.76Å; D1207-R1428 PolarHBondContact OD2-NH2 2.87Å |
| 1429 | S | 44.3 | Very low | 49.8 | Very low | 77 Ų | 77 | 102.7 Ų | 102.7 | 54% | 0.538 | 54% | 0.537 | S | S | . | . | trans | -150 | 21.2 | 165.8 | 55.6 | 0 | 0 | 0 | 0 | 114.7 | M1283 P1427 | M1283-S1429 WeakPolarHBondContact CE-OG 3.42Å; P1427-S1429 PolarHBondContact O-N 3.26Å | ||
| 1430 | L | 44.8 | Very low | 52.9 | Low | 92 Ų | 92 | 96.4 Ų | 96.4 | 48% | 0.482 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -110.5 | 128.2 | 159.3 | -73.9 | 177 | 0 | 0 | 0 | 108.5 | L1279 M1283 | L1279-L1430 HydrophobicContact CD2-CD1 4Å; M1283-L1430 HydrophobicContact CE-CG 4.01Å; M1283-L1430 HydrophobicContact CG-CD1 4.15Å; M1283-L1430 HydrophobicContact SD-CB 4.13Å; M1283-L1430 HydrophobicContact SD-CD1 3.51Å; M1283-L1430 VanDerWaalsContact SD-CD1 3.51Å; M1283-L1430 HydrophobicContact SD-CG 3.57Å; M1283-L1430 VanDerWaalsContact SD-CG 3.57Å |
| 1431 | E | 51.3 | Low | 55.8 | Low | 167 Ų | 167 | 91.1 Ų | 91.1 | 78% | 0.78 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 132.7 | 169.2 | -68.6 | 173.4 | 119.1 | 0 | 0 | 109.6 | P1475 | E1431-P1475 HydrophobicContact CB-CB 4.42Š|
| 1432 | P | 52.1 | Low | 58.8 | Low | 55 Ų | 55 | 81.4 Ų | 81.4 | 36% | 0.357 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -64.8 | 169.5 | 166.7 | -21.8 | 34.7 | 0 | 0 | 0 | 112.3 | H1473 P1475 | P1432-H1473 WeakPolarHBondContact CB-O 3.42Å; P1432-P1475 WeakPolarHBondContact O-CB 3.38Å; P1432-P1475 WeakPolarHBondContact O-CD 3.45Å; P1432-P1475 WeakPolarHBondContact O-CG 3.38Å |
| 1433 | P | 55.8 | Low | 61.7 | Low | 66 Ų | 66 | 74.4 Ų | 74.4 | 43% | 0.429 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | cis | -79.8 | 142.3 | -8.3 | 35.2 | -29.7 | 0 | 0 | 0 | 110 | H1473 | P1433-H1473 VanDerWaalsContact CA-O 3.3Å; P1433-H1473 WeakPolarHBondContact CA-O 3.23Å; P1433-H1473 WeakPolarHBondContact CB-O 3.41Å |
| 1434 | V | 69 | Low | 64.7 | Low | 55 Ų | 55 | 75.8 Ų | 75.8 | 33% | 0.333 | 43% | 0.432 | S | S | . | . | trans | -102.3 | -6 | -179.2 | -147.3 | 0 | 0 | 0 | 0 | 111.9 | L1279 A1471 | L1279-V1434 HydrophobicContact CD1-CB 4.46Å; L1279-V1434 HydrophobicContact CD1-CG1 3.48Å; L1279-V1434 VanDerWaalsContact CD1-CG1 3.48Å; L1279-V1434 HydrophobicContact CD2-CG1 3.99Å; L1279-V1434 HydrophobicContact CG-CG1 4.35Å; V1434-A1471 PolarHBondContact N-O 2.78Å | ||
| 1435 | L | 78 | Confident | 67.6 | Low | 8 Ų | 8 | 72.9 Ų | 72.9 | 4% | 0.042 | 41% | 0.413 | C | S | . | . | trans | -142.1 | 138.9 | 171.8 | -74 | 178.9 | 0 | 0 | 0 | 111.2 | A1272 K1275 L1276 A1471 T1472 | A1272-L1435 HydrophobicContact CB-CD1 3.61Å; A1272-L1435 HydrophobicContact CB-CD2 4.45Å; K1275-L1435 HydrophobicContact CB-CD2 3.9Å; K1275-L1435 HydrophobicContact CD-CD2 3.46Å; K1275-L1435 VanDerWaalsContact CD-CD2 3.46Å; K1275-L1435 HydrophobicContact CG-CD2 4.34Å; L1276-L1435 HydrophobicContact CD1-CD1 3.62Å; L1276-L1435 HydrophobicContact CG-CD1 3.81Å; L1435-A1471 HydrophobicContact CB-CB 4.07Å; L1435-A1471 HydrophobicContact CD1-CB 3.86Å; L1435-A1471 HydrophobicContact CG-CB 4.04Å; L1435-A1471 PolarHBondContact N-O 3.48Å; L1435-T1472 HydrophobicContact CB-CG2 4.19Å; L1435-T1472 WeakPolarHBondContact O-CA 3.34Å | ||
| 1436 | E | 79 | Confident | 69.9 | Low | 180 Ų | 180 | 69.5 Ų | 69.5 | 84% | 0.841 | 39% | 0.393 | S | S | * | . | trans | -99.1 | 148.4 | 158.9 | -63.4 | -177.7 | 132.3 | 0 | 0 | 109.2 | ||||
| 1437 | L | 83.2 | Confident | 72.7 | Confident | 28 Ų | 28 | 70.7 Ų | 70.7 | 15% | 0.147 | 39% | 0.394 | C | S | . | . | trans | -141 | 154 | 174.6 | -65.7 | 179.6 | 0 | 0 | 0 | 109.2 | E1268 L1269 A1272 L1445 I1468 T1472 | E1268-L1437 HydrophobicContact CG-CD2 3.8Å; L1269-L1437 HydrophobicContact CD2-CD1 3.93Å; L1269-L1437 HydrophobicContact CD2-CD2 3.79Å; A1272-L1437 HydrophobicContact CB-CD2 4.06Å; L1437-L1445 HydrophobicContact CD1-CD1 4.27Å; L1437-I1468 HydrophobicContact CD1-CG2 3.54Å; L1437-T1472 HydrophobicContact CB-CG2 4.37Å; L1437-T1472 HydrophobicContact CD1-CG2 3.62Å; L1437-T1472 HydrophobicContact CG-CG2 3.71Å | ||
| 1438 | S | 87.1 | Confident | 75.2 | Confident | 44 Ų | 44 | 68.8 Ų | 68.8 | 31% | 0.308 | 38% | 0.381 | S | S | . | . | trans | -56.8 | 141.3 | 168.4 | 72.6 | 0 | 0 | 0 | 0 | 111.3 | E1268 G1440 A1441 K1442 | E1268-S1438 PolarHBondContact OE1-N 2.99Å; E1268-S1438 WeakPolarHBondContact OE2-CB 3.48Å; E1268-S1438 PolarHBondContact OE2-OG 3.06Å; S1438-G1440 PolarHBondContact O-N 3Å; S1438-G1440 VanDerWaalsContact O-N 3.17Å; S1438-A1441 PolarHBondContact O-N 3.46Å; S1438-A1441 VanDerWaalsContact OG-CB 3.24Å; S1438-A1441 WeakPolarHBondContact OG-CB 3.44Å; S1438-A1441 PolarHBondContact OG-N 2.69Å; S1438-K1442 PolarHBondContact O-N 3.09Å | ||
| 1439 | P | 85.3 | Confident | 77.7 | Confident | 114 Ų | 114 | 63.1 Ų | 63.1 | 74% | 0.74 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -57 | -31.9 | 177.7 | -28 | 35.7 | 0 | 0 | 0 | 113.3 | A1443 | P1439-A1443 WeakPolarHBondContact O-CB 3.49Å; P1439-A1443 PolarHBondContact O-N 3.18Å |
| 1440 | G | 88.4 | Confident | 80 | Confident | 51 Ų | 51 | 59.5 Ų | 59.5 | 53% | 0.526 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.3 | -49.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1438 K1442 A1443 Q1444 | S1438-G1440 PolarHBondContact O-N 3Å; S1438-G1440 VanDerWaalsContact O-N 3.17Å; G1440-K1442 VanDerWaalsContact C-N 3.33Å; G1440-K1442 PolarHBondContact O-N 2.69Å; G1440-A1443 PolarHBondContact O-N 3.02Å; G1440-Q1444 WeakPolarHBondContact O-CB 3.5Å; G1440-Q1444 PolarHBondContact O-N 2.83Å |
| 1441 | A | 88.8 | Confident | 82.3 | Confident | 10 Ų | 10 | 55.3 Ų | 55.3 | 8% | 0.083 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.1 | -37.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1268 L1269 S1438 L1445 | E1268-A1441 WeakPolarHBondContact OE2-CB 3.26Å; L1269-A1441 HydrophobicContact CD2-CB 4.12Å; L1269-A1441 HydrophobicContact CG-CB 4.48Å; S1438-A1441 PolarHBondContact O-N 3.46Å; S1438-A1441 VanDerWaalsContact OG-CB 3.24Å; S1438-A1441 WeakPolarHBondContact OG-CB 3.44Å; S1438-A1441 PolarHBondContact OG-N 2.69Å; A1441-L1445 WeakPolarHBondContact O-CB 3.48Å; A1441-L1445 VanDerWaalsContact O-CG 3.29Å; A1441-L1445 WeakPolarHBondContact O-CG 3.38Å; A1441-L1445 PolarHBondContact O-N 2.8Å |
| 1442 | K | 87.5 | Confident | 84.2 | Confident | 47 Ų | 47 | 47.4 Ų | 47.4 | 20% | 0.204 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.8 | -49.2 | 173.6 | -177.5 | 161 | -179.9 | 158.5 | 0 | 111.9 | S1438 G1440 Q1444 L1445 E1446 L1469 T1472 | S1438-K1442 PolarHBondContact O-N 3.09Å; G1440-K1442 VanDerWaalsContact C-N 3.33Å; G1440-K1442 PolarHBondContact O-N 2.69Å; K1442-Q1444 PolarHBondContact O-N 3.02Å; K1442-L1445 PolarHBondContact O-N 3.17Å; K1442-E1446 WeakPolarHBondContact CE-OE1 3.21Å; K1442-E1446 WeakPolarHBondContact CG-OE1 3.28Å; K1442-E1446 WeakPolarHBondContact O-CG 3.28Å; K1442-E1446 PolarHBondContact O-N 2.62Å; K1442-L1469 HydrophobicContact CG-CD2 4.1Å; K1442-T1472 WeakPolarHBondContact CE-OG1 3.34Å; K1442-T1472 PolarHBondContact NZ-O 3.32Å; K1442-T1472 PolarHBondContact NZ-OG1 3.26Å |
| 1443 | A | 89.1 | Confident | 85.9 | Confident | 54 Ų | 54 | 45.1 Ų | 45.1 | 45% | 0.446 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61 | -44.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P1439 G1440 L1445 E1446 E1447 | P1439-A1443 WeakPolarHBondContact O-CB 3.49Å; P1439-A1443 PolarHBondContact O-N 3.18Å; G1440-A1443 PolarHBondContact O-N 3.02Å; A1443-L1445 VanDerWaalsContact C-N 3.29Å; A1443-L1445 PolarHBondContact O-N 3.27Å; A1443-E1446 PolarHBondContact O-N 3.11Å; A1443-E1446 VanDerWaalsContact O-N 3.16Å; A1443-E1447 PolarHBondContact O-N 3.17Å |
| 1444 | Q | 91.8 | Very high | 87.6 | Confident | 92 Ų | 92 | 42.1 Ų | 42.1 | 43% | 0.43 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.8 | -39.9 | 176.4 | -170.9 | -176.3 | 38.5 | 0 | 0 | 111.8 | G1440 K1442 L1448 | G1440-Q1444 WeakPolarHBondContact O-CB 3.5Å; G1440-Q1444 PolarHBondContact O-N 2.83Å; K1442-Q1444 PolarHBondContact O-N 3.02Å; Q1444-L1448 HydrophobicContact CG-CD1 4.17Å; Q1444-L1448 WeakPolarHBondContact O-CB 3.4Å; Q1444-L1448 WeakPolarHBondContact O-CG 3.33Å; Q1444-L1448 PolarHBondContact O-N 3.01Å |
| 1445 | L | 91.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.5 | -35.9 | 175.4 | -73 | 176.4 | 0 | 0 | 0 | 112.9 | L1264 L1269 L1437 A1441 K1442 A1443 M1449 I1465 I1468 L1469 | L1264-L1445 HydrophobicContact CD2-CD2 4.42Å; L1269-L1445 HydrophobicContact CD1-CD1 3.7Å; L1269-L1445 HydrophobicContact CD1-CD2 3.77Å; L1269-L1445 HydrophobicContact CD1-CG 3.81Å; L1269-L1445 HydrophobicContact CD2-CD1 3.57Å; L1269-L1445 HydrophobicContact CG-CD1 4.28Å; L1437-L1445 HydrophobicContact CD1-CD1 4.27Å; A1441-L1445 WeakPolarHBondContact O-CB 3.48Å; A1441-L1445 VanDerWaalsContact O-CG 3.29Å; A1441-L1445 WeakPolarHBondContact O-CG 3.38Å; A1441-L1445 PolarHBondContact O-N 2.8Å; K1442-L1445 PolarHBondContact O-N 3.17Å; A1443-L1445 VanDerWaalsContact C-N 3.29Å; A1443-L1445 PolarHBondContact O-N 3.27Å; L1445-M1449 WeakPolarHBondContact O-CB 3.4Å; L1445-M1449 PolarHBondContact O-N 3.4Å; L1445-I1465 HydrophobicContact CB-CG2 3.88Å; L1445-I1465 HydrophobicContact CD2-CB 4.18Å; L1445-I1465 HydrophobicContact CD2-CD1 4.23Å; L1445-I1465 HydrophobicContact CD2-CG1 3.79Å; L1445-I1465 HydrophobicContact CD2-CG2 3.67Å; L1445-I1465 HydrophobicContact CG-CG2 4.29Å; L1445-I1465 WeakPolarHBondContact O-CG2 3.24Å; L1445-I1468 HydrophobicContact CD1-CB 4.34Å; L1445-I1468 HydrophobicContact CD1-CD1 4.48Å; L1445-I1468 HydrophobicContact CD1-CG2 3.64Å; L1445-L1469 HydrophobicContact CB-CD1 4.3Å; L1445-L1469 HydrophobicContact CB-CD2 3.82Å; L1445-L1469 HydrophobicContact CB-CG 4.12Å |
| 1446 | E | 89.2 | Confident | 89.2 | Confident | 79 Ų | 79 | 39.4 Ų | 39.4 | 37% | 0.369 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -69.3 | -30.7 | 176.4 | -73.4 | 177.7 | -171.5 | 0 | 0 | 113.2 | R1145 K1442 A1443 M1450 L1469 | R1145-E1446 PolarHBondContact NH1-O 3.14Å; K1442-E1446 WeakPolarHBondContact CE-OE1 3.21Å; K1442-E1446 WeakPolarHBondContact CG-OE1 3.28Å; K1442-E1446 WeakPolarHBondContact O-CG 3.28Å; K1442-E1446 PolarHBondContact O-N 2.62Å; A1443-E1446 PolarHBondContact O-N 3.11Å; A1443-E1446 VanDerWaalsContact O-N 3.16Å; E1446-M1450 PolarHBondContact O-N 2.86Å; E1446-L1469 HydrophobicContact CG-CD1 4.03Å; E1446-L1469 HydrophobicContact CG-CD2 3.74Å |
| 1447 | E | 91.5 | Very high | 89.7 | Confident | 93 Ų | 93 | 31 Ų | 31 | 44% | 0.435 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -73.6 | -51.9 | 170.8 | -168.7 | -162.9 | 148.4 | 0 | 0 | 111.4 | A1443 M1449 M1450 V1451 | A1443-E1447 PolarHBondContact O-N 3.17Å; E1447-M1449 PolarHBondContact O-N 3.14Å; E1447-M1450 WeakPolarHBondContact O-CA 3.48Å; E1447-M1450 VanDerWaalsContact O-CB 3.3Å; E1447-M1450 WeakPolarHBondContact O-CB 3.43Å; E1447-M1450 PolarHBondContact O-N 3.38Å; E1447-V1451 PolarHBondContact O-N 3Å |
| 1448 | L | 93.3 | Very high | 90 | Very high | 9 Ų | 9 | 31.9 Ų | 31.9 | 5% | 0.047 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.1 | -38.8 | 176.2 | -76.6 | 169.4 | 0 | 0 | 0 | 111.4 | W1256 R1259 A1263 Q1444 M1450 V1451 G1452 I1465 | W1256-L1448 WeakPolarHBondContact CZ2-O 3.37Å; W1256-L1448 PolarHBondContact NE1-O 3.22Å; R1259-L1448 HydrophobicContact CB-CD2 4.12Å; A1263-L1448 HydrophobicContact CB-CD1 3.49Å; A1263-L1448 VanDerWaalsContact CB-CD1 3.49Å; Q1444-L1448 HydrophobicContact CG-CD1 4.17Å; Q1444-L1448 WeakPolarHBondContact O-CB 3.4Å; Q1444-L1448 WeakPolarHBondContact O-CG 3.33Å; Q1444-L1448 PolarHBondContact O-N 3.01Å; L1448-M1450 VanDerWaalsContact C-N 3.33Å; L1448-M1450 PolarHBondContact O-N 3.38Å; L1448-V1451 PolarHBondContact O-N 3.41Å; L1448-G1452 PolarHBondContact O-N 2.95Å; L1448-I1465 HydrophobicContact CB-CD1 3.96Å |
| 1449 | M | 91.9 | Very high | 90.2 | Very high | 5 Ų | 5 | 30.3 Ų | 30.3 | 3% | 0.025 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.8 | -42.8 | 171.4 | -177.8 | 55.6 | 47.8 | 0 | 0 | 112 | K1209 L1445 E1447 D1453 T1462 I1465 W1466 L1469 | K1209-M1449 PolarHBondContact NZ-SD 3.49Å; L1445-M1449 WeakPolarHBondContact O-CB 3.4Å; L1445-M1449 PolarHBondContact O-N 3.4Å; E1447-M1449 PolarHBondContact O-N 3.14Å; M1449-D1453 WeakPolarHBondContact O-CB 3.47Å; M1449-D1453 PolarHBondContact O-N 2.83Å; M1449-T1462 HydrophobicContact CE-CG2 4.23Å; M1449-T1462 WeakPolarHBondContact CE-O 3.29Å; M1449-T1462 HydrophobicContact SD-CG2 4.07Å; M1449-I1465 HydrophobicContact CB-CG2 4.15Å; M1449-I1465 HydrophobicContact CE-CB 3.51Å; M1449-I1465 HydrophobicContact CE-CG2 3.31Å; M1449-W1466 HydrophobicContact CE-CB 3.71Å; M1449-W1466 VanDerWaalsContact CE-N 3.26Å; M1449-W1466 HydrophobicContact SD-CB 4.4Å; M1449-L1469 HydrophobicContact CB-CD1 4.12Å; M1449-L1469 HydrophobicContact CG-CD1 4.34Å |
| 1450 | M | 92.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.6 | -49.2 | 178.9 | -162.1 | -173.9 | 74.8 | 0 | 0 | 111.8 | I1138 M1141 H1142 L1179 E1446 E1447 L1448 G1452 D1453 L1454 | I1138-M1450 HydrophobicContact CG2-CE 3.96Å; M1141-M1450 HydrophobicContact CB-CE 4.22Å; M1141-M1450 HydrophobicContact CB-SD 4.07Å; M1141-M1450 HydrophobicContact CG-CE 4.35Å; M1141-M1450 HydrophobicContact CG-CG 3.89Å; M1141-M1450 HydrophobicContact CG-SD 3.65Å; H1142-M1450 VanDerWaalsContact NE2-CE 3.31Å; H1142-M1450 WeakPolarHBondContact NE2-CE 3.48Å; L1179-M1450 HydrophobicContact CD1-CG 4.09Å; E1446-M1450 PolarHBondContact O-N 2.86Å; E1447-M1450 WeakPolarHBondContact O-CA 3.48Å; E1447-M1450 VanDerWaalsContact O-CB 3.3Å; E1447-M1450 WeakPolarHBondContact O-CB 3.43Å; E1447-M1450 PolarHBondContact O-N 3.38Å; L1448-M1450 VanDerWaalsContact C-N 3.33Å; L1448-M1450 PolarHBondContact O-N 3.38Å; M1450-G1452 VanDerWaalsContact C-N 3.35Å; M1450-D1453 CarbonylContact O-C 3.55Å; M1450-D1453 PolarHBondContact O-N 3.41Å; M1450-L1454 HydrophobicContact CE-CD1 4.28Å; M1450-L1454 WeakPolarHBondContact O-CG 3.5Å; M1450-L1454 PolarHBondContact O-N 3.46Å |
| 1451 | V | 92 | Very high | 90.4 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 2% | 0.024 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68 | -37.9 | -179.7 | -175.8 | 0 | 0 | 0 | 0 | 110.7 | I1138 W1256 E1447 L1448 D1453 L1454 L1455 | I1138-V1451 HydrophobicContact CD1-CG2 4.48Å; W1256-V1451 HydrophobicContact CG-CG1 4.42Å; E1447-V1451 PolarHBondContact O-N 3Å; L1448-V1451 PolarHBondContact O-N 3.41Å; V1451-D1453 VanDerWaalsContact C-N 3.27Å; V1451-D1453 PolarHBondContact O-N 2.82Å; V1451-L1454 PolarHBondContact O-N 3.31Å; V1451-L1454 VanDerWaalsContact O-N 3.14Å; V1451-L1455 WeakPolarHBondContact O-CG 3.28Å; V1451-L1455 PolarHBondContact O-N 3.12Å |
| 1452 | G | 91.2 | Very high | 90.3 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.3 | -27.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1448 M1450 | L1448-G1452 PolarHBondContact O-N 2.95Å; M1450-G1452 VanDerWaalsContact C-N 3.35Å |
| 1453 | D | 89.1 | Confident | 90.2 | Very high | 7 Ų | 7 | 29.5 Ų | 29.5 | 4% | 0.037 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -89.6 | -14.5 | 171 | -81.3 | -27.4 | 0 | 0 | 0 | 113.9 | L1179 K1209 R1220 M1449 M1450 V1451 | L1179-D1453 HydrophobicContact CB-CB 4.31Å; L1179-D1453 HydrophobicContact CD1-CB 3.95Å; L1179-D1453 HydrophobicContact CG-CB 4.5Å; K1209-D1453 WeakPolarHBondContact CE-OD2 3.37Å; K1209-D1453 IonicContact NZ-OD1 2.75Å; K1209-D1453 PolarHBondContact NZ-OD1 2.95Å; K1209-D1453 IonicContact NZ-OD2 2.66Å; K1209-D1453 PolarHBondContact NZ-OD2 2.85Å; R1220-D1453 PolarHBondContact NH1-O 3.49Å; R1220-D1453 PolarHBondContact NH2-O 3.37Å; M1449-D1453 WeakPolarHBondContact O-CB 3.47Å; M1449-D1453 PolarHBondContact O-N 2.83Å; M1450-D1453 CarbonylContact O-C 3.55Å; M1450-D1453 PolarHBondContact O-N 3.41Å; V1451-D1453 VanDerWaalsContact C-N 3.27Å; V1451-D1453 PolarHBondContact O-N 2.82Å |
| 1454 | L | 91.2 | Very high | 90.2 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -75.1 | -40.1 | 165.8 | -77.1 | 172.5 | 0 | 0 | 0 | 111.1 | I1080 E1137 I1138 M1141 L1179 M1450 V1451 E1456 | I1080-L1454 HydrophobicContact CD1-CD2 4.29Å; E1137-L1454 HydrophobicContact CG-CD1 4.23Å; E1137-L1454 HydrophobicContact CG-CD2 3.93Å; I1138-L1454 HydrophobicContact CG1-CD1 3.95Å; M1141-L1454 HydrophobicContact CB-CD1 4.16Å; M1141-L1454 HydrophobicContact CB-CD2 4.21Å; M1141-L1454 HydrophobicContact CE-CD2 3.76Å; M1141-L1454 HydrophobicContact CG-CD1 4.45Å; M1141-L1454 HydrophobicContact CG-CD2 4.16Å; M1141-L1454 HydrophobicContact CG-CG 4.48Å; L1179-L1454 HydrophobicContact CD1-CD2 4.15Å; L1179-L1454 HydrophobicContact CD1-CG 4.11Å; L1179-L1454 HydrophobicContact CD2-CD2 4.38Å; M1450-L1454 HydrophobicContact CE-CD1 4.28Å; M1450-L1454 WeakPolarHBondContact O-CG 3.5Å; M1450-L1454 PolarHBondContact O-N 3.46Å; V1451-L1454 PolarHBondContact O-N 3.31Å; V1451-L1454 VanDerWaalsContact O-N 3.14Å; L1454-E1456 PolarHBondContact O-N 3.28Å |
| 1455 | L | 89.5 | Confident | 90.1 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -55.5 | 121 | 174.2 | -74.4 | 174.1 | 0 | 0 | 0 | 111.6 | R1220 L1249 R1252 A1253 W1256 V1451 V1457 L1459 | R1220-L1455 PolarHBondContact NE-O 2.75Å; R1220-L1455 PolarHBondContact NH1-O 3.12Å; L1249-L1455 HydrophobicContact CD1-CD2 4.2Å; R1252-L1455 HydrophobicContact CB-CD2 4.41Å; R1252-L1455 HydrophobicContact CG-CD2 3.94Å; A1253-L1455 HydrophobicContact CB-CD1 4.45Å; A1253-L1455 HydrophobicContact CB-CD2 4.25Å; W1256-L1455 HydrophobicContact CB-CD1 3.61Å; W1256-L1455 HydrophobicContact CD2-CD1 3.98Å; W1256-L1455 HydrophobicContact CE3-CD1 4.23Å; W1256-L1455 HydrophobicContact CG-CD1 3.72Å; V1451-L1455 WeakPolarHBondContact O-CG 3.28Å; V1451-L1455 PolarHBondContact O-N 3.12Å; L1455-V1457 PolarHBondContact O-N 2.92Å; L1455-L1459 HydrophobicContact CD1-CD1 4.27Å |
| 1456 | E | 89.7 | Confident | 89.9 | Confident | 6 Ų | 6 | 27.3 Ų | 27.3 | 3% | 0.028 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -80 | 38.4 | 173 | -66.3 | -59.8 | 156.7 | 0 | 0 | 112.1 | R1077 S1218 R1220 L1454 | R1077-E1456 IonicContact CZ-OE1 3.43Å; R1077-E1456 IonicContact NE-OE1 2.73Å; R1077-E1456 IonicContact NH2-OE1 3.23Å; R1077-E1456 PolarHBondContact NH2-OE1 3.43Å; S1218-E1456 WeakPolarHBondContact CB-OE2 3.25Å; S1218-E1456 PolarHBondContact N-OE2 2.83Å; S1218-E1456 VanDerWaalsContact N-OE2 3.07Å; S1218-E1456 WeakPolarHBondContact OG-CB 3.44Å; S1218-E1456 PolarHBondContact OG-OE2 3.1Å; R1220-E1456 IonicContact CZ-OE1 2.81Å; R1220-E1456 IonicContact CZ-OE2 2.76Å; R1220-E1456 IonicContact NE-OE1 3.72Å; R1220-E1456 IonicContact NE-OE2 2.65Å; R1220-E1456 PolarHBondContact NE-OE2 2.86Å; R1220-E1456 IonicContact NH2-OE1 3.97Å; R1220-E1456 PolarHBondContact NH2-OE1 2.79Å; R1220-E1456 IonicContact NH2-OE2 3.7Å; R1220-E1456 PolarHBondContact NH2-OE2 2.85Å; L1454-E1456 PolarHBondContact O-N 3.28Å |
| 1457 | V | 90.6 | Very high | 89.6 | Confident | 4 Ų | 4 | 26.9 Ų | 26.9 | 2% | 0.024 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -131.5 | 145.8 | -177.6 | -176.2 | 0 | 0 | 0 | 0 | 108.7 | L1223 I1226 L1249 A1253 L1455 L1459 | L1223-V1457 HydrophobicContact CB-CG1 4.44Å; I1226-V1457 HydrophobicContact CD1-CB 4.24Å; I1226-V1457 HydrophobicContact CD1-CG1 3.69Å; I1226-V1457 HydrophobicContact CD1-CG2 3.58Å; L1249-V1457 HydrophobicContact CD1-CG2 4.28Å; L1249-V1457 HydrophobicContact CD2-CG2 4.19Å; L1249-V1457 HydrophobicContact CG-CG2 4.14Å; A1253-V1457 HydrophobicContact CB-CB 4.38Å; A1253-V1457 HydrophobicContact CB-CG1 4.38Å; A1253-V1457 HydrophobicContact CB-CG2 4.07Å; L1455-V1457 PolarHBondContact O-N 2.92Å; V1457-L1459 HydrophobicContact CG1-CD2 4.09Å; V1457-L1459 HydrophobicContact CG1-CG 4.2Å |
| 1458 | S | 89.5 | Confident | 89.4 | Confident | 46 Ų | 46 | 22.5 Ų | 22.5 | 32% | 0.322 | 11% | 0.11 | S | C | . | . | B | Isolated β-bridge | trans | -100.1 | 119.2 | 176.6 | -175.4 | 0 | 0 | 0 | 0 | 110.8 | R1220 P1221 | R1220-S1458 WeakPolarHBondContact O-CB 3.42Å; P1221-S1458 PolarHBondContact O-N 2.98Å |
| 1459 | L | 90.8 | Very high | 89.1 | Confident | 11 Ų | 11 | 22.7 Ų | 22.7 | 6% | 0.058 | 11% | 0.111 | C | C | . | . | trans | -127.2 | 137.7 | -177.9 | -59.2 | 173.3 | 0 | 0 | 0 | 108.7 | L1223 W1256 Q1257 L1455 V1457 E1461 T1462 | L1223-L1459 HydrophobicContact CB-CD2 4.02Å; L1223-L1459 HydrophobicContact CD2-CD2 4.36Å; W1256-L1459 HydrophobicContact CE3-CD1 3.41Å; W1256-L1459 VanDerWaalsContact CE3-CD1 3.41Å; W1256-L1459 HydrophobicContact CZ3-CB 3.98Å; W1256-L1459 HydrophobicContact CZ3-CD1 3.62Å; W1256-L1459 HydrophobicContact CZ3-CG 4.45Å; Q1257-L1459 HydrophobicContact CB-CD1 4.34Å; L1455-L1459 HydrophobicContact CD1-CD1 4.27Å; V1457-L1459 HydrophobicContact CG1-CD2 4.09Å; V1457-L1459 HydrophobicContact CG1-CG 4.2Å; L1459-E1461 VanDerWaalsContact C-N 3.29Å; L1459-E1461 PolarHBondContact O-N 2.84Å; L1459-T1462 PolarHBondContact O-N 3.42Å; L1459-T1462 PolarHBondContact O-OG1 3.25Å | ||
| 1460 | D | 87 | Confident | 88.6 | Confident | 64 Ų | 64 | 26.2 Ų | 26.2 | 34% | 0.342 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -24.4 | -171.7 | -70.6 | -50.7 | 0 | 0 | 0 | 112.2 | R1222 T1462 Q1463 H1464 | R1222-D1460 IonicContact CZ-OD1 3.47Å; R1222-D1460 IonicContact CZ-OD2 2.63Å; R1222-D1460 IonicContact NH1-OD1 3.56Å; R1222-D1460 IonicContact NH1-OD2 2.81Å; R1222-D1460 PolarHBondContact NH1-OD2 2.8Å; R1222-D1460 IonicContact NH2-OD1 2.67Å; R1222-D1460 PolarHBondContact NH2-OD1 3.03Å; R1222-D1460 IonicContact NH2-OD2 3.85Å; R1222-D1460 PolarHBondContact NH2-OD2 3.21Å; D1460-T1462 VanDerWaalsContact C-N 3.26Å; D1460-T1462 PolarHBondContact O-N 2.92Å; D1460-Q1463 PolarHBondContact O-N 2.91Å; D1460-H1464 PolarHBondContact O-ND1 2.63Å; D1460-H1464 VanDerWaalsContact O-ND1 3.1Å |
| 1461 | E | 91.4 | Very high | 88.1 | Confident | 18 Ų | 18 | 26.7 Ų | 26.7 | 8% | 0.084 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -57.1 | -36.9 | 172.6 | -65.6 | 75.9 | -169 | 0 | 0 | 112.1 | W1256 Q1257 A1260 R1261 L1264 L1459 Q1463 H1464 I1465 | W1256-E1461 HydrophobicContact CH2-CB 4.13Å; W1256-E1461 HydrophobicContact CZ3-CB 4.09Å; Q1257-E1461 VanDerWaalsContact NE2-CD 3.33Å; Q1257-E1461 PolarHBondContact NE2-OE1 2.79Å; Q1257-E1461 PolarHBondContact NE2-OE2 3.4Å; A1260-E1461 HydrophobicContact CB-CB 4Å; A1260-E1461 HydrophobicContact CB-CG 4.38Å; R1261-E1461 HydrophobicContact CG-CG 3.99Å; R1261-E1461 IonicContact CZ-OE1 2.87Å; R1261-E1461 VanDerWaalsContact CZ-OE1 3.22Å; R1261-E1461 IonicContact NE-OE1 2.86Å; R1261-E1461 PolarHBondContact NE-OE1 3.11Å; R1261-E1461 IonicContact NH2-OE1 3.4Å; R1261-E1461 PolarHBondContact NH2-OE1 3.02Å; L1264-E1461 HydrophobicContact CD1-CB 4.16Å; L1264-E1461 HydrophobicContact CD1-CG 4.36Å; L1459-E1461 VanDerWaalsContact C-N 3.29Å; L1459-E1461 PolarHBondContact O-N 2.84Å; E1461-Q1463 PolarHBondContact O-N 2.86Å; E1461-H1464 WeakPolarHBondContact O-CB 3.34Å; E1461-H1464 PolarHBondContact O-N 3.47Å; E1461-I1465 PolarHBondContact O-N 3.45Å; E1461-I1465 VanDerWaalsContact O-N 3.1Å |
| 1462 | T | 87.4 | Confident | 87.6 | Confident | 16 Ų | 16 | 27.1 Ų | 27.1 | 10% | 0.098 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.7 | -25.9 | 179.4 | -40.2 | 0 | 0 | 0 | 0 | 112.4 | W1256 M1449 L1459 D1460 W1466 | W1256-T1462 WeakPolarHBondContact CH2-OG1 3.27Å; M1449-T1462 HydrophobicContact CE-CG2 4.23Å; M1449-T1462 WeakPolarHBondContact CE-O 3.29Å; M1449-T1462 HydrophobicContact SD-CG2 4.07Å; L1459-T1462 PolarHBondContact O-N 3.42Å; L1459-T1462 PolarHBondContact O-OG1 3.25Å; D1460-T1462 VanDerWaalsContact C-N 3.26Å; D1460-T1462 PolarHBondContact O-N 2.92Å; T1462-W1466 WeakPolarHBondContact O-CB 3.37Å; T1462-W1466 PolarHBondContact O-N 3.21Å |
| 1463 | Q | 85.2 | Confident | 86.6 | Confident | 108 Ų | 108 | 31.3 Ų | 31.3 | 51% | 0.505 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -79.8 | -26.5 | 173.2 | -65.4 | -166.9 | 13.9 | 0 | 0 | 113.5 | D1460 E1461 R1467 | D1460-Q1463 PolarHBondContact O-N 2.91Å; E1461-Q1463 PolarHBondContact O-N 2.86Å; Q1463-R1467 WeakPolarHBondContact O-CB 3.3Å; Q1463-R1467 WeakPolarHBondContact O-CG 3.26Å; Q1463-R1467 PolarHBondContact O-N 2.73Å; Q1463-R1467 PolarHBondContact O-NE 3.26Å; Q1463-R1467 VanDerWaalsContact O-NE 3.15Å |
| 1464 | H | 87.5 | Confident | 85.1 | Confident | 58 Ų | 58 | 34.6 Ų | 34.6 | 27% | 0.269 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -73.7 | -48.5 | 177.6 | -66.4 | 113.2 | 0 | 0 | 0 | 110.5 | L1264 L1273 D1460 E1461 W1466 R1467 I1468 | L1264-H1464 HydrophobicContact CD1-CB 3.84Å; L1264-H1464 HydrophobicContact CD2-CB 4.27Å; L1273-H1464 HydrophobicContact CD1-CB 4.33Å; L1273-H1464 HydrophobicContact CD2-CB 4.27Å; D1460-H1464 PolarHBondContact O-ND1 2.63Å; D1460-H1464 VanDerWaalsContact O-ND1 3.1Å; E1461-H1464 WeakPolarHBondContact O-CB 3.34Å; E1461-H1464 PolarHBondContact O-N 3.47Å; H1464-W1466 VanDerWaalsContact C-N 3.31Å; H1464-W1466 PolarHBondContact O-N 2.93Å; H1464-R1467 PolarHBondContact CD2-NH1 2.69Å; H1464-R1467 PolarHBondContact CD2-NH2 3.33Å; H1464-R1467 PolarHBondContact NE2-NH2 2.88Å; H1464-R1467 PolarHBondContact O-N 3.34Å; H1464-I1468 WeakPolarHBondContact O-CG1 3.32Å; H1464-I1468 PolarHBondContact O-N 2.85Å |
| 1465 | I | 90.2 | Very high | 83 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.6 | -44.6 | 175.2 | -59.9 | 178.4 | 0 | 0 | 0 | 110.8 | W1256 A1260 L1264 L1445 L1448 M1449 E1461 I1468 L1469 | W1256-I1465 HydrophobicContact CH2-CD1 4.32Å; W1256-I1465 HydrophobicContact CZ2-CD1 4.1Å; A1260-I1465 HydrophobicContact CB-CD1 4.16Å; L1264-I1465 HydrophobicContact CD1-CG1 4.14Å; L1264-I1465 HydrophobicContact CD2-CG1 3.94Å; L1264-I1465 HydrophobicContact CG-CG1 4.16Å; L1445-I1465 HydrophobicContact CB-CG2 3.88Å; L1445-I1465 HydrophobicContact CD2-CB 4.18Å; L1445-I1465 HydrophobicContact CD2-CD1 4.23Å; L1445-I1465 HydrophobicContact CD2-CG1 3.79Å; L1445-I1465 HydrophobicContact CD2-CG2 3.67Å; L1445-I1465 HydrophobicContact CG-CG2 4.29Å; L1445-I1465 WeakPolarHBondContact O-CG2 3.24Å; L1448-I1465 HydrophobicContact CB-CD1 3.96Å; M1449-I1465 HydrophobicContact CB-CG2 4.15Å; M1449-I1465 HydrophobicContact CE-CB 3.51Å; M1449-I1465 HydrophobicContact CE-CG2 3.31Å; E1461-I1465 PolarHBondContact O-N 3.45Å; E1461-I1465 VanDerWaalsContact O-N 3.1Å; I1465-I1468 PolarHBondContact O-N 3.02Å; I1465-L1469 HydrophobicContact CG2-CD1 4.06Å; I1465-L1469 WeakPolarHBondContact O-CG 3.41Å; I1465-L1469 PolarHBondContact O-N 3.16Å |
| 1466 | W | 86.8 | Confident | 80.7 | Confident | 42 Ų | 42 | 42.3 Ų | 42.3 | 16% | 0.159 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.8 | -41.5 | -179.9 | -175.9 | 74.6 | 0 | 0 | 0 | 113.1 | E1178 K1209 M1449 T1462 H1464 I1468 L1469 Q1470 | E1178-W1466 PolarHBondContact OE1-NE1 2.96Å; K1209-W1466 HydrophobicContact CB-CD2 4.12Å; K1209-W1466 HydrophobicContact CB-CH2 4.28Å; K1209-W1466 HydrophobicContact CB-CZ2 3.75Å; K1209-W1466 HydrophobicContact CD-CD2 4.32Å; K1209-W1466 HydrophobicContact CD-CG 3.99Å; K1209-W1466 HydrophobicContact CG-CD2 4.27Å; K1209-W1466 HydrophobicContact CG-CG 4.3Å; K1209-W1466 HydrophobicContact CG-CZ2 4.39Å; M1449-W1466 HydrophobicContact CE-CB 3.71Å; M1449-W1466 VanDerWaalsContact CE-N 3.26Å; M1449-W1466 HydrophobicContact SD-CB 4.4Å; T1462-W1466 WeakPolarHBondContact O-CB 3.37Å; T1462-W1466 PolarHBondContact O-N 3.21Å; H1464-W1466 VanDerWaalsContact C-N 3.31Å; H1464-W1466 PolarHBondContact O-N 2.93Å; W1466-I1468 VanDerWaalsContact C-N 3.34Å; W1466-I1468 PolarHBondContact O-N 3.13Å; W1466-L1469 PolarHBondContact O-N 2.84Å; W1466-Q1470 HydrophobicContact CD2-CG 4.2Å; W1466-Q1470 HydrophobicContact CH2-CG 4.07Å; W1466-Q1470 HydrophobicContact CZ2-CG 3.71Å; W1466-Q1470 HydrophobicContact CZ3-CG 4.46Å; W1466-Q1470 WeakPolarHBondContact O-CB 3.29Å; W1466-Q1470 PolarHBondContact O-N 2.93Å |
| 1467 | R | 84.6 | Confident | 78.3 | Confident | 70 Ų | 70 | 50 Ų | 50 | 26% | 0.264 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64 | -37.9 | 176.3 | -84.7 | -179.5 | -86.8 | 138 | -6.2 | 112.4 | L1276 Q1463 H1464 | L1276-R1467 WeakPolarHBondContact CD1-O 3.35Å; Q1463-R1467 WeakPolarHBondContact O-CB 3.3Å; Q1463-R1467 WeakPolarHBondContact O-CG 3.26Å; Q1463-R1467 PolarHBondContact O-N 2.73Å; Q1463-R1467 PolarHBondContact O-NE 3.26Å; Q1463-R1467 VanDerWaalsContact O-NE 3.15Å; H1464-R1467 PolarHBondContact CD2-NH1 2.69Å; H1464-R1467 PolarHBondContact CD2-NH2 3.33Å; H1464-R1467 PolarHBondContact NE2-NH2 2.88Å; H1464-R1467 PolarHBondContact O-N 3.34Å |
| 1468 | I | 86.6 | Confident | 75.9 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63 | -53.2 | 173.4 | -67.2 | 168.5 | 0 | 0 | 0 | 110 | L1264 L1269 A1272 L1273 L1437 L1445 H1464 I1465 W1466 Q1470 A1471 | L1264-I1468 HydrophobicContact CD2-CD1 3.51Å; L1269-I1468 HydrophobicContact CB-CD1 4.43Å; L1269-I1468 HydrophobicContact CD2-CG2 4.3Å; A1272-I1468 HydrophobicContact CB-CG2 4.42Å; L1273-I1468 HydrophobicContact CD1-CD1 4.06Å; L1273-I1468 HydrophobicContact CG-CD1 3.92Å; L1273-I1468 HydrophobicContact CG-CG1 4.1Å; L1437-I1468 HydrophobicContact CD1-CG2 3.54Å; L1445-I1468 HydrophobicContact CD1-CB 4.34Å; L1445-I1468 HydrophobicContact CD1-CD1 4.48Å; L1445-I1468 HydrophobicContact CD1-CG2 3.64Å; H1464-I1468 WeakPolarHBondContact O-CG1 3.32Å; H1464-I1468 PolarHBondContact O-N 2.85Å; I1465-I1468 PolarHBondContact O-N 3.02Å; W1466-I1468 VanDerWaalsContact C-N 3.34Å; W1466-I1468 PolarHBondContact O-N 3.13Å; I1468-Q1470 PolarHBondContact O-N 2.88Å; I1468-A1471 PolarHBondContact O-N 3.21Å |
| 1469 | L | 86.6 | Confident | 73.6 | Confident | 13 Ų | 13 | 61.4 Ų | 61.4 | 7% | 0.068 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.9 | -48.5 | -176.6 | -72.9 | 173.8 | 0 | 0 | 0 | 112.5 | K1442 L1445 E1446 M1449 I1465 W1466 A1471 T1472 H1473 | K1442-L1469 HydrophobicContact CG-CD2 4.1Å; L1445-L1469 HydrophobicContact CB-CD1 4.3Å; L1445-L1469 HydrophobicContact CB-CD2 3.82Å; L1445-L1469 HydrophobicContact CB-CG 4.12Å; E1446-L1469 HydrophobicContact CG-CD1 4.03Å; E1446-L1469 HydrophobicContact CG-CD2 3.74Å; M1449-L1469 HydrophobicContact CB-CD1 4.12Å; M1449-L1469 HydrophobicContact CG-CD1 4.34Å; I1465-L1469 HydrophobicContact CG2-CD1 4.06Å; I1465-L1469 WeakPolarHBondContact O-CG 3.41Å; I1465-L1469 PolarHBondContact O-N 3.16Å; W1466-L1469 PolarHBondContact O-N 2.84Å; L1469-A1471 PolarHBondContact O-N 3.39Å; L1469-T1472 PolarHBondContact O-N 3.44Å; L1469-T1472 PolarHBondContact O-OG1 3.08Å; L1469-H1473 PolarHBondContact O-CD2 3.29Å; L1469-H1473 VanDerWaalsContact O-CD2 3.32Å |
| 1470 | Q | 82.2 | Confident | 71.6 | Confident | 80 Ų | 80 | 64.6 Ų | 64.6 | 37% | 0.374 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -48.1 | -44.7 | 176 | -95.9 | -76.5 | 2.4 | 0 | 0 | 112.9 | W1466 I1468 T1472 H1473 | W1466-Q1470 HydrophobicContact CD2-CG 4.2Å; W1466-Q1470 HydrophobicContact CH2-CG 4.07Å; W1466-Q1470 HydrophobicContact CZ2-CG 3.71Å; W1466-Q1470 HydrophobicContact CZ3-CG 4.46Å; W1466-Q1470 WeakPolarHBondContact O-CB 3.29Å; W1466-Q1470 PolarHBondContact O-N 2.93Å; I1468-Q1470 PolarHBondContact O-N 2.88Å; Q1470-T1472 PolarHBondContact O-N 3.45Å; Q1470-T1472 VanDerWaalsContact O-N 3.14Å; Q1470-H1473 PolarHBondContact O-N 3.33Å |
| 1471 | A | 81.2 | Confident | 69.6 | Low | 9 Ų | 9 | 66 Ų | 66 | 7% | 0.074 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -12.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1276 V1434 L1435 I1468 L1469 | L1276-A1471 HydrophobicContact CD1-CB 3.93Å; L1276-A1471 HydrophobicContact CD2-CB 3.84Å; L1276-A1471 HydrophobicContact CG-CB 4.2Å; V1434-A1471 PolarHBondContact N-O 2.78Å; L1435-A1471 HydrophobicContact CB-CB 4.07Å; L1435-A1471 HydrophobicContact CD1-CB 3.86Å; L1435-A1471 HydrophobicContact CG-CB 4.04Å; L1435-A1471 PolarHBondContact N-O 3.48Å; I1468-A1471 PolarHBondContact O-N 3.21Å; L1469-A1471 PolarHBondContact O-N 3.39Å |
| 1472 | T | 81.5 | Confident | 67.2 | Low | 14 Ų | 14 | 72.4 Ų | 72.4 | 9% | 0.086 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 9.2 | 179.4 | 71.4 | 0 | 0 | 0 | 0 | 114.3 | L1435 L1437 K1442 L1469 Q1470 | L1435-T1472 HydrophobicContact CB-CG2 4.19Å; L1435-T1472 WeakPolarHBondContact O-CA 3.34Å; L1437-T1472 HydrophobicContact CB-CG2 4.37Å; L1437-T1472 HydrophobicContact CD1-CG2 3.62Å; L1437-T1472 HydrophobicContact CG-CG2 3.71Å; K1442-T1472 WeakPolarHBondContact CE-OG1 3.34Å; K1442-T1472 PolarHBondContact NZ-O 3.32Å; K1442-T1472 PolarHBondContact NZ-OG1 3.26Å; L1469-T1472 PolarHBondContact O-N 3.44Å; L1469-T1472 PolarHBondContact O-OG1 3.08Å; Q1470-T1472 PolarHBondContact O-N 3.45Å; Q1470-T1472 VanDerWaalsContact O-N 3.14Å |
| 1473 | H | 69.4 | Low | 64.9 | Low | 90 Ų | 90 | 76 Ų | 76 | 42% | 0.417 | 37% | 0.373 | S | S | . | . | trans | -85.3 | 130.5 | 171.4 | -75.6 | -92.2 | 0 | 0 | 0 | 109.8 | P1432 P1433 L1469 Q1470 | P1432-H1473 WeakPolarHBondContact CB-O 3.42Å; P1433-H1473 VanDerWaalsContact CA-O 3.3Å; P1433-H1473 WeakPolarHBondContact CA-O 3.23Å; P1433-H1473 WeakPolarHBondContact CB-O 3.41Å; L1469-H1473 PolarHBondContact O-CD2 3.29Å; L1469-H1473 VanDerWaalsContact O-CD2 3.32Å; Q1470-H1473 PolarHBondContact O-N 3.33Å | ||
| 1474 | P | 58.7 | Low | 62.3 | Low | 75 Ų | 75 | 79 Ų | 79 | 49% | 0.487 | 39% | 0.389 | S | S | . | . | trans | -64 | 166.9 | 170.9 | -20.7 | 33.6 | 0 | 0 | 0 | 112.3 | S1476 | P1474-S1476 PolarHBondContact O-N 2.77Å; P1474-S1476 VanDerWaalsContact O-N 3.16Å | ||
| 1475 | P | 46.2 | Very low | 59.7 | Low | 74 Ų | 74 | 83.5 Ų | 83.5 | 48% | 0.481 | 41% | 0.411 | S | S | . | . | trans | -84.5 | 21.6 | 175.9 | 41 | -33.2 | 0 | 0 | 0 | 110.3 | E1431 P1432 E1477 | E1431-P1475 HydrophobicContact CB-CB 4.42Å; P1432-P1475 WeakPolarHBondContact O-CB 3.38Å; P1432-P1475 WeakPolarHBondContact O-CD 3.45Å; P1432-P1475 WeakPolarHBondContact O-CG 3.38Å; P1475-E1477 PolarHBondContact O-N 3.34Å | ||
| 1476 | S | 42.7 | Very low | 56.9 | Low | 90 Ų | 90 | 91.2 Ų | 91.2 | 63% | 0.629 | 45% | 0.452 | S | S | * | . | trans | -67.5 | 99 | -163.3 | 54.9 | 0 | 0 | 0 | 0 | 110.3 | P1474 | P1474-S1476 PolarHBondContact O-N 2.77Å; P1474-S1476 VanDerWaalsContact O-N 3.16Å | ||
| 1477 | E | 38.7 | Very low | 54.4 | Low | 169 Ų | 169 | 97.1 Ų | 97.1 | 79% | 0.79 | 49% | 0.487 | S | S | * | . | trans | 31.3 | 107.9 | 152.2 | -63.5 | 172.5 | 160 | 0 | 0 | 114.2 | P1475 R1479 | P1475-E1477 PolarHBondContact O-N 3.34Å; E1477-R1479 PolarHBondContact O-N 2.83Å | ||
| 1478 | D | 39 | Very low | 51.9 | Low | 90 Ų | 90 | 98.4 Ų | 98.4 | 48% | 0.481 | 51% | 0.506 | S | S | . | . | trans | -61.4 | 74 | 174.1 | -94.2 | -40.5 | 0 | 0 | 0 | 110 | K1206 F1480 L1481 | K1206-D1478 IonicContact NZ-OD1 3.23Å; K1206-D1478 IonicContact NZ-OD2 2.73Å; K1206-D1478 PolarHBondContact NZ-OD2 3.29Å; D1478-F1480 PolarHBondContact O-N 3.32Å; D1478-L1481 HydrophobicContact CB-CB 4.17Å; D1478-L1481 HydrophobicContact CB-CD1 3.72Å; D1478-L1481 HydrophobicContact CB-CG 3.95Å; D1478-L1481 WeakPolarHBondContact O-CA 3.49Å; D1478-L1481 WeakPolarHBondContact O-CB 3.42Å; D1478-L1481 PolarHBondContact O-N 3.5Å | ||
| 1479 | R | 42.5 | Very low | 49.5 | Very low | 198 Ų | 198 | 104.8 Ų | 104.8 | 75% | 0.747 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -0.6 | -174.1 | -153 | 173 | -176 | -175.5 | 1.1 | 113.4 | E1477 I1483 | E1477-R1479 PolarHBondContact O-N 2.83Å; R1479-I1483 VanDerWaalsContact O-CD1 3.23Å; R1479-I1483 WeakPolarHBondContact O-CD1 3.32Å |
| 1480 | F | 49 | Very low | 47 | Very low | 79 Ų | 79 | 113.1 Ų | 113.1 | 35% | 0.346 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.8 | 1.9 | 167.9 | -105.9 | -88.8 | 0 | 0 | 0 | 113.4 | M1152 I1158 A1170 D1478 | M1152-F1480 HydrophobicContact CE-CD2 3.92Å; M1152-F1480 HydrophobicContact CE-CE2 3.58Å; I1158-F1480 HydrophobicContact CD1-CE1 3.79Å; I1158-F1480 HydrophobicContact CD1-CE2 3.8Å; I1158-F1480 HydrophobicContact CD1-CZ 3.4Å; I1158-F1480 HydrophobicContact CG1-CE1 4.08Å; I1158-F1480 HydrophobicContact CG1-CE2 4.47Å; I1158-F1480 HydrophobicContact CG1-CZ 3.68Å; I1158-F1480 HydrophobicContact CG2-CE1 3.69Å; I1158-F1480 HydrophobicContact CG2-CZ 4.17Å; A1170-F1480 HydrophobicContact CB-CD1 4.14Å; A1170-F1480 HydrophobicContact CB-CE1 3.59Å; D1478-F1480 PolarHBondContact O-N 3.32Å |
| 1481 | L | 45.2 | Very low | 44.6 | Very low | 94 Ų | 94 | 118 Ų | 118 | 49% | 0.492 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -114.8 | 8.7 | 175.1 | -61.9 | -178.9 | 0 | 0 | 0 | 113.1 | D1478 | D1478-L1481 HydrophobicContact CB-CB 4.17Å; D1478-L1481 HydrophobicContact CB-CD1 3.72Å; D1478-L1481 HydrophobicContact CB-CG 3.95Å; D1478-L1481 WeakPolarHBondContact O-CA 3.49Å; D1478-L1481 WeakPolarHBondContact O-CB 3.42Å; D1478-L1481 PolarHBondContact O-N 3.5Å |
| 1482 | H | 39.7 | Very low | 42.3 | Very low | 152 Ų | 152 | 127.4 Ų | 127.4 | 70% | 0.704 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -137.1 | 37.3 | -175.1 | -89.6 | 26.8 | 0 | 0 | 0 | 112.6 | ||
| 1483 | I | 40.4 | Very low | 39.9 | Very low | 90 Ų | 90 | 132.3 Ų | 132.3 | 46% | 0.462 | 68% | 0.677 | S | S | . | * | S | Bend | trans | -125 | 15.8 | 179.4 | -62.3 | -178.3 | 0 | 0 | 0 | 111.7 | V1155 I1158 R1479 | V1155-I1483 HydrophobicContact CG1-CD1 3.97Å; I1158-I1483 HydrophobicContact CD1-CD1 4.46Å; R1479-I1483 VanDerWaalsContact O-CD1 3.23Å; R1479-I1483 WeakPolarHBondContact O-CD1 3.32Å |
| 1484 | M | 31 | Very low | 38.1 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 84% | 0.842 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -138.2 | 9.8 | 168.2 | -67.1 | -157.7 | 82.3 | 0 | 0 | 113.8 | ||
| 1485 | E | 31.9 | Very low | 36.8 | Very low | 154 Ų | 154 | 141.9 Ų | 141.9 | 72% | 0.72 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -134.8 | 137.4 | 176.2 | -65.2 | 179.8 | 153.4 | 0 | 0 | 107.2 | ||
| 1486 | D | 31.6 | Very low | 36.2 | Very low | 162 Ų | 162 | 146.5 Ų | 146.5 | 87% | 0.866 | 73% | 0.734 | S | S | * | * | trans | 63.7 | 84.5 | -178.2 | -66.8 | -18.4 | 0 | 0 | 0 | 120.4 | ||||
| 1487 | D | 34.6 | Very low | 35.6 | Very low | 166 Ų | 166 | 149.5 Ų | 149.5 | 89% | 0.888 | 74% | 0.735 | S | S | * | * | trans | -172.6 | 136.4 | 137.6 | -106.1 | -19.8 | 0 | 0 | 0 | 108.7 | ||||
| 1488 | S | 32.5 | Very low | 35.2 | Very low | 96 Ų | 96 | 144.8 Ų | 144.8 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | cis | -161.7 | 131.1 | -18.4 | 59.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 1489 | V | 35.2 | Very low | 34.9 | Very low | 135 Ų | 135 | 149.2 Ų | 149.2 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | 25.6 | 117.8 | 152.3 | -156.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1490 | E | 34 | Very low | 34.5 | Very low | 188 Ų | 188 | 146.2 Ų | 146.2 | 88% | 0.879 | 75% | 0.746 | S | S | * | * | -175.6 | 172.4 | 114.5 | -101.2 | -169.5 | -175.6 | 0 | 0 | 114.1 | |||||
| 1491 | E | 32.7 | Very low | 33.8 | Very low | 182 Ų | 182 | 148 Ų | 148 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | trans | -76.6 | 136.4 | -148.9 | -52.2 | -177.8 | 134.2 | 0 | 0 | 119.2 | ||||
| 1492 | K | 32.3 | Very low | 33.1 | Very low | 207 Ų | 207 | 148.7 Ų | 148.7 | 90% | 0.9 | 78% | 0.781 | S | S | * | * | -176 | 136.8 | 125 | -103.4 | 165 | -174 | 175.3 | 0 | 112.8 | |||||
| 1493 | P | 31.6 | Very low | 32.8 | Very low | 116 Ų | 116 | 148 Ų | 148 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | -114.1 | 164.6 | -169 | 42.8 | -36.5 | 0 | 0 | 0 | 116.9 | ||||
| 1494 | L | 32 | Very low | 32.5 | Very low | 152 Ų | 152 | 150.8 Ų | 150.8 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | trans | 74.6 | 89.3 | 157.9 | -64.7 | 164.7 | 0 | 0 | 0 | 121.2 | ||||
| 1495 | K | 31.2 | Very low | 32.6 | Very low | 214 Ų | 214 | 151.8 Ų | 151.8 | 93% | 0.93 | 79% | 0.787 | S | S | * | * | -140.1 | 152.5 | 122.4 | -87.2 | -161.1 | 176.1 | -172.2 | 0 | 108.4 | |||||
| 1496 | M | 32.4 | Very low | 32.6 | Very low | 172 Ų | 172 | 156.2 Ų | 156.2 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | trans | -116.8 | 134.2 | -171.9 | -75.6 | 166.7 | 50.2 | 0 | 0 | 112.9 | ||||
| 1497 | K | 29.6 | Very low | 32.7 | Very low | 152 Ų | 152 | 158.2 Ų | 158.2 | 66% | 0.661 | 80% | 0.798 | S | S | * | * | trans | -171.1 | 141.2 | 152 | -113.7 | 170.8 | -175.6 | 165.8 | 0 | 109.2 | D1344 S1345 | D1344-K1497 PolarHBondContact O-NZ 3.14Å; D1344-K1497 IonicContact OD2-NZ 3.12Å; D1344-K1497 PolarHBondContact OD2-NZ 3.01Å; S1345-K1497 WeakPolarHBondContact OG-CE 3.44Å; S1345-K1497 PolarHBondContact OG-NZ 2.93Å | ||
| 1498 | G | 31.5 | Very low | 32.6 | Very low | 71 Ų | 71 | 161.8 Ų | 161.8 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | trans | 158.7 | 153.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1499 | K | 31.3 | Very low | 32.7 | Very low | 183 Ų | 183 | 165.9 Ų | 165.9 | 80% | 0.796 | 81% | 0.805 | S | S | * | * | trans | 72 | 146.8 | -178.6 | -74.9 | 176.9 | 153 | -83.5 | 0 | 116 | ||||
| 1500 | D | 34.1 | Very low | 32.7 | Very low | 135 Ų | 135 | 165.6 Ų | 165.6 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | cis | -143 | 160.9 | -2.4 | -125.4 | -29.5 | 0 | 0 | 0 | 112.2 | ||||
| 1501 | S | 34.7 | Very low | 32.7 | Very low | 117 Ų | 117 | 163.5 Ų | 163.5 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -141.9 | 134 | -176.7 | -172.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1502 | S | 31.9 | Very low | 32.7 | Very low | 107 Ų | 107 | 164.1 Ų | 164.1 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -163.3 | 98.5 | 173.5 | 169.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1503 | E | 31.9 | Very low | 32.8 | Very low | 139 Ų | 139 | 159.7 Ų | 159.7 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | -179 | 124.9 | 122.6 | -87.5 | -110.8 | 84.6 | 0 | 0 | 114.4 | |||||
| 1504 | K | 35.1 | Very low | 32.8 | Very low | 148 Ų | 148 | 161.3 Ų | 161.3 | 64% | 0.643 | 78% | 0.776 | S | S | * | * | trans | 63.1 | 102.3 | 145.7 | -69.8 | 165.1 | 178.3 | 138.6 | 0 | 123.2 | ||||
| 1505 | K | 32.4 | Very low | 32.8 | Very low | 191 Ų | 191 | 161.4 Ų | 161.4 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | 101.4 | 142.9 | 116.5 | -76.6 | 179.3 | 172.9 | 177.4 | 0 | 121.4 | |||||
| 1506 | R | 33.1 | Very low | 32.8 | Very low | 247 Ų | 247 | 160 Ų | 160 | 93% | 0.932 | 77% | 0.766 | S | S | * | * | trans | 63.1 | 91.6 | 172.2 | -69.6 | -179 | 166.3 | -178.6 | -5.5 | 114.1 | ||||
| 1507 | K | 33.4 | Very low | 32.8 | Very low | 205 Ų | 205 | 161.5 Ų | 161.5 | 89% | 0.891 | 77% | 0.768 | S | S | * | * | cis | 86.8 | 90.2 | 35 | -162.1 | -177.2 | -178.8 | 177.8 | 0 | 115.3 | ||||
| 1508 | R | 31.9 | Very low | 32.8 | Very low | 241 Ų | 241 | 157.8 Ų | 157.8 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | trans | -81.4 | 161.6 | 166.1 | -78.4 | 179.7 | 169 | 169.2 | -5 | 113.4 | ||||
| 1509 | K | 34.6 | Very low | 32.6 | Very low | 182 Ų | 182 | 164.2 Ų | 164.2 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -136.5 | 155.5 | 144.1 | -84.3 | -173.9 | 160 | -152.4 | 0 | 104.6 | ||||
| 1510 | L | 34.2 | Very low | 32.6 | Very low | 128 Ų | 128 | 159.2 Ų | 159.2 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | cis | -138.8 | 178.5 | 23.4 | -160.2 | 65.7 | 0 | 0 | 0 | 111.7 | ||||
| 1511 | E | 34.9 | Very low | 32.2 | Very low | 145 Ų | 145 | 161.5 Ų | 161.5 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | trans | -53.6 | 152.4 | 172.1 | -55.5 | 93 | -138.6 | 0 | 0 | 113.1 | ||||
| 1512 | K | 33 | Very low | 31.9 | Very low | 194 Ų | 194 | 162.8 Ų | 162.8 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | cis | 72.6 | 149.5 | 21 | -152.5 | 179.3 | -177.8 | -179.6 | 0 | 115.7 | ||||
| 1513 | V | 33.8 | Very low | 31.8 | Very low | 114 Ų | 114 | 165.6 Ų | 165.6 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | trans | 82.2 | 130.6 | 171.4 | -172.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1514 | E | 31.3 | Very low | 31.7 | Very low | 151 Ų | 151 | 164.4 Ų | 164.4 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | cis | -158.8 | 170.5 | 19.3 | -139.5 | 156.7 | -170.3 | 0 | 0 | 115.4 | ||||
| 1515 | Q | 33 | Very low | 31.6 | Very low | 153 Ų | 153 | 166.8 Ų | 166.8 | 72% | 0.715 | 79% | 0.793 | S | S | * | * | trans | 44.5 | 127.1 | 151.2 | -79.7 | 154.8 | 46.9 | 0 | 0 | 120.3 | ||||
| 1516 | F | 31.6 | Very low | 31.6 | Very low | 185 Ų | 185 | 163.8 Ų | 163.8 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | cis | 67.4 | 131.8 | 29.9 | -107.8 | -82.7 | 0 | 0 | 0 | 116.8 | ||||
| 1517 | F | 31.6 | Very low | 31.7 | Very low | 203 Ų | 203 | 158.8 Ų | 158.8 | 89% | 0.89 | 77% | 0.772 | S | S | * | * | trans | 77.5 | 139.6 | 178.4 | -67.5 | -86.7 | 0 | 0 | 0 | 120.3 | ||||
| 1518 | G | 30.2 | Very low | 31.5 | Very low | 75 Ų | 75 | 155.7 Ų | 155.7 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | trans | 131.8 | 77.3 | 138.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | G1520 | G1518-G1520 PolarHBondContact O-N 3.38Š| ||
| 1519 | E | 26.8 | Very low | 31.3 | Very low | 206 Ų | 206 | 153.4 Ų | 153.4 | 96% | 0.963 | 76% | 0.756 | S | S | * | * | trans | -66.5 | 121.3 | 157.2 | -65.9 | -174.1 | 91.1 | 0 | 0 | 110.5 | ||||
| 1520 | G | 31 | Very low | 31.2 | Very low | 77 Ų | 77 | 152.8 Ų | 152.8 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | trans | -153.4 | 57.1 | -165.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | G1518 | G1518-G1520 PolarHBondContact O-N 3.38Š| ||
| 1521 | K | 25.8 | Very low | 30.7 | Very low | 184 Ų | 184 | 152.2 Ų | 152.2 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | trans | -46.5 | 139.7 | 179.3 | -80 | 165.6 | 179.9 | 146.4 | 0 | 117.1 | ||||
| 1522 | Q | 28.7 | Very low | 30.3 | Very low | 143 Ų | 143 | 153.9 Ų | 153.9 | 67% | 0.668 | 76% | 0.762 | S | S | * | * | trans | 69.6 | 165.7 | 153 | -59.1 | 162.8 | 15.2 | 0 | 0 | 115.3 | ||||
| 1523 | K | 29.5 | Very low | 30.4 | Very low | 167 Ų | 167 | 149.5 Ų | 149.5 | 73% | 0.726 | 75% | 0.753 | S | S | * | * | cis | -152.3 | 160.2 | 16.1 | -111.9 | 120.2 | 178.3 | 158.8 | 0 | 107.3 | ||||
| 1524 | T | 30.8 | Very low | 30.1 | Very low | 114 Ų | 114 | 153.3 Ų | 153.3 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | cis | -176.8 | 167.2 | -19.5 | 22.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1525 | K | 32.2 | Very low | 29.9 | Very low | 198 Ų | 198 | 155.9 Ų | 155.9 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | trans | 113.7 | 116.6 | 163.7 | -63.9 | 167.7 | -174.7 | 177.8 | 0 | 114 | ||||
| 1526 | E | 32.8 | Very low | 29.7 | Very low | 128 Ų | 128 | 157.8 Ų | 157.8 | 60% | 0.598 | 78% | 0.775 | S | S | * | * | cis | -144.5 | -134.2 | -22.2 | -142.1 | -164.6 | -128.9 | 0 | 0 | 109.2 | K1528 | E1526-K1528 WeakPolarHBondContact OE1-CE 3.43Å; E1526-K1528 IonicContact OE1-NZ 3.43Å; E1526-K1528 PolarHBondContact OE1-NZ 3.46Å; E1526-K1528 WeakPolarHBondContact OE2-CE 3.47Å; E1526-K1528 WeakPolarHBondContact OE2-CG 3.33Å; E1526-K1528 IonicContact OE2-NZ 2.72Å; E1526-K1528 PolarHBondContact OE2-NZ 2.7Å | ||
| 1527 | L | 34.3 | Very low | 29.6 | Very low | 142 Ų | 142 | 158 Ų | 158 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | cis | -144.3 | 92.7 | 0 | -153.7 | -177.2 | 0 | 0 | 0 | 110.2 | ||||
| 1528 | K | 30.4 | Very low | 29.5 | Very low | 140 Ų | 140 | 155.4 Ų | 155.4 | 61% | 0.609 | 77% | 0.77 | S | S | * | * | trans | 40 | 108.8 | 156.8 | -60.1 | 170.6 | -177.4 | 106.7 | 0 | 118.5 | E1526 | E1526-K1528 WeakPolarHBondContact OE1-CE 3.43Å; E1526-K1528 IonicContact OE1-NZ 3.43Å; E1526-K1528 PolarHBondContact OE1-NZ 3.46Å; E1526-K1528 WeakPolarHBondContact OE2-CE 3.47Å; E1526-K1528 WeakPolarHBondContact OE2-CG 3.33Å; E1526-K1528 IonicContact OE2-NZ 2.72Å; E1526-K1528 PolarHBondContact OE2-NZ 2.7Å | ||
| 1529 | K | 26.1 | Very low | 29.6 | Very low | 193 Ų | 193 | 160.2 Ų | 160.2 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | 70.8 | 127.9 | 78.7 | -76 | -174.2 | 172.4 | -169.7 | 0 | 116 | |||||
| 1530 | I | 32.3 | Very low | 29.8 | Very low | 169 Ų | 169 | 157 Ų | 157 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | 167.9 | 150.9 | 124.5 | -88.1 | 159.6 | 0 | 0 | 0 | 113.7 | |||||
| 1531 | D | 24.6 | Very low | 29.7 | Very low | 115 Ų | 115 | 159.5 Ų | 159.5 | 62% | 0.615 | 75% | 0.754 | S | S | * | * | trans | -72.8 | 145.6 | -173.2 | -83.4 | -108.4 | 0 | 0 | 0 | 119.5 | ||||
| 1532 | K | 27.3 | Very low | 30 | Very low | 180 Ų | 180 | 156.6 Ų | 156.6 | 78% | 0.783 | 75% | 0.751 | S | S | * | * | trans | 58.3 | -160.2 | 137.5 | -55.9 | 176.1 | 177.3 | 116 | 0 | 116.6 | ||||
| 1533 | P | 34.3 | Very low | 30.2 | Very low | 103 Ų | 103 | 155 Ų | 155 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | -120.3 | -174.8 | -103.8 | 38.5 | -21.8 | 0 | 0 | 0 | 115.1 | |||||
| 1534 | K | 27.1 | Very low | 30.4 | Very low | 194 Ų | 194 | 153.5 Ų | 153.5 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | trans | 95.5 | 118.1 | -177.1 | -53 | 147.3 | -171 | 168.3 | 0 | 111.6 | ||||
| 1535 | K | 26.9 | Very low | 30.5 | Very low | 204 Ų | 204 | 153.4 Ų | 153.4 | 89% | 0.887 | 75% | 0.745 | S | S | * | * | 57.2 | 95.1 | 69.1 | -75.3 | -171.6 | 174.5 | 176.4 | 0 | 114.9 | |||||
| 1536 | K | 29 | Very low | 30.6 | Very low | 193 Ų | 193 | 152.4 Ų | 152.4 | 84% | 0.839 | 74% | 0.741 | S | S | * | * | -171.9 | 116.4 | 128.3 | -104.8 | 163.5 | -173.8 | 177.5 | 0 | 114.3 | |||||
| 1537 | K | 29.6 | Very low | 30.8 | Very low | 191 Ų | 191 | 150.1 Ų | 150.1 | 83% | 0.83 | 73% | 0.73 | S | S | * | * | trans | 45 | 128.3 | 135.8 | -60 | -177.8 | 176.4 | -173.2 | 0 | 119.9 | ||||
| 1538 | L | 29.9 | Very low | 31 | Very low | 147 Ų | 147 | 149.2 Ų | 149.2 | 77% | 0.77 | 73% | 0.725 | S | S | * | * | -154.6 | 122.3 | 98.8 | -97.8 | 160 | 0 | 0 | 0 | 110.6 | |||||
| 1539 | K | 31 | Very low | 31.6 | Very low | 177 Ų | 177 | 147.8 Ų | 147.8 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | trans | 44.4 | 136.6 | 140.1 | -68.3 | 179.5 | -172.4 | 176.8 | 0 | 120.1 | ||||
| 1540 | L | 31.1 | Very low | 32.5 | Very low | 137 Ų | 137 | 144.1 Ų | 144.1 | 72% | 0.717 | 71% | 0.708 | S | S | * | * | cis | -150.1 | 144.7 | 11.6 | -115 | 156.4 | 0 | 0 | 0 | 111.1 | ||||
| 1541 | N | 30.8 | Very low | 33.1 | Very low | 130 Ų | 130 | 139.7 Ų | 139.7 | 70% | 0.695 | 69% | 0.686 | S | S | * | * | trans | 28.1 | 124.2 | 154.4 | -68 | 6.4 | 0 | 0 | 0 | 119.8 | ||||
| 1542 | V | 31 | Very low | 34.2 | Very low | 123 Ų | 123 | 137 Ų | 137 | 75% | 0.745 | 68% | 0.68 | S | S | * | * | 54.1 | 111.8 | 68.7 | -176.6 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 1543 | D | 32.7 | Very low | 35.2 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 58% | 0.583 | 67% | 0.671 | S | S | * | * | -173 | 174.9 | 73.4 | -155.3 | -10.7 | 0 | 0 | 0 | 112.5 | |||||
| 1544 | K | 33.8 | Very low | 35.9 | Very low | 136 Ų | 136 | 135 Ų | 135 | 59% | 0.591 | 66% | 0.66 | S | S | * | * | trans | 51.6 | 79.5 | 159.6 | -68.6 | 139.1 | -175.9 | 142.2 | 0 | 114.4 | K1546 E1547 | K1544-K1546 PolarHBondContact O-N 3.24Å; K1544-E1547 PolarHBondContact O-N 3.44Å | ||
| 1545 | S | 33.2 | Very low | 37 | Very low | 112 Ų | 112 | 130.7 Ų | 130.7 | 78% | 0.783 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | 45.6 | -7.8 | 66.7 | -150.9 | 0 | 0 | 0 | 0 | 117.3 | |||
| 1546 | K | 34.7 | Very low | 38.2 | Very low | 178 Ų | 178 | 123.6 Ų | 123.6 | 77% | 0.774 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.4 | -20.2 | 159.3 | -72.7 | -173.1 | 177.5 | -179 | 0 | 112.1 | K1544 | K1544-K1546 PolarHBondContact O-N 3.24Š|
| 1547 | E | 37.1 | Very low | 39.1 | Very low | 79 Ų | 79 | 120.8 Ų | 120.8 | 37% | 0.369 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -81.7 | -29.7 | 165.4 | -81.5 | -61.7 | 120.1 | 0 | 0 | 112.7 | K1544 N1549 K1550 L1551 K1554 | K1544-E1547 PolarHBondContact O-N 3.44Å; E1547-N1549 VanDerWaalsContact C-N 3.3Å; E1547-N1549 PolarHBondContact O-N 3.21Å; E1547-K1550 CarbonylContact O-C 3.5Å; E1547-K1550 VanDerWaalsContact O-C 3.26Å; E1547-K1550 VanDerWaalsContact O-CA 3.27Å; E1547-K1550 WeakPolarHBondContact O-CA 3.21Å; E1547-K1550 WeakPolarHBondContact O-CB 3.36Å; E1547-K1550 PolarHBondContact O-N 2.93Å; E1547-K1550 WeakPolarHBondContact OE1-CD 3.43Å; E1547-K1550 WeakPolarHBondContact OE1-CE 3.41Å; E1547-K1550 IonicContact OE1-NZ 3.81Å; E1547-K1550 PolarHBondContact OE1-NZ 3.15Å; E1547-L1551 WeakPolarHBondContact O-CB 3.49Å; E1547-L1551 PolarHBondContact O-N 2.88Å; E1547-K1554 IonicContact OE2-NZ 2.75Å; E1547-K1554 PolarHBondContact OE2-NZ 3Å |
| 1548 | L | 38.2 | Very low | 40.3 | Very low | 124 Ų | 124 | 116.9 Ų | 116.9 | 65% | 0.649 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.8 | -33.8 | -177.3 | -138.9 | 80.6 | 0 | 0 | 0 | 113.2 | K1550 L1551 A1552 | L1548-K1550 PolarHBondContact O-N 2.87Å; L1548-L1551 PolarHBondContact O-N 2.81Å; L1548-L1551 VanDerWaalsContact O-N 3.16Å; L1548-A1552 WeakPolarHBondContact O-CB 3.4Å; L1548-A1552 PolarHBondContact O-N 3.4Å |
| 1549 | N | 42.8 | Very low | 41.3 | Very low | 109 Ų | 109 | 115.1 Ų | 115.1 | 58% | 0.583 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -79.2 | -5.9 | 172.7 | -139.3 | -45.4 | 0 | 0 | 0 | 113.1 | E1547 K1553 | E1547-N1549 VanDerWaalsContact C-N 3.3Å; E1547-N1549 PolarHBondContact O-N 3.21Å; N1549-K1553 WeakPolarHBondContact O-CB 3.22Å; N1549-K1553 VanDerWaalsContact O-CD 3.3Å; N1549-K1553 WeakPolarHBondContact O-CD 3.22Å; N1549-K1553 VanDerWaalsContact O-CG 3.23Å; N1549-K1553 WeakPolarHBondContact O-CG 3.28Å |
| 1550 | K | 44.2 | Very low | 42.3 | Very low | 116 Ų | 116 | 110.6 Ų | 110.6 | 50% | 0.504 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -99.9 | -17.4 | 162.5 | -72.5 | 169.7 | 173.3 | -177.5 | 0 | 112.8 | E1547 L1548 K1553 K1554 | E1547-K1550 CarbonylContact O-C 3.5Å; E1547-K1550 VanDerWaalsContact O-C 3.26Å; E1547-K1550 VanDerWaalsContact O-CA 3.27Å; E1547-K1550 WeakPolarHBondContact O-CA 3.21Å; E1547-K1550 WeakPolarHBondContact O-CB 3.36Å; E1547-K1550 PolarHBondContact O-N 2.93Å; E1547-K1550 WeakPolarHBondContact OE1-CD 3.43Å; E1547-K1550 WeakPolarHBondContact OE1-CE 3.41Å; E1547-K1550 IonicContact OE1-NZ 3.81Å; E1547-K1550 PolarHBondContact OE1-NZ 3.15Å; L1548-K1550 PolarHBondContact O-N 2.87Å; K1550-K1553 CarbonylContact O-C 3.58Å; K1550-K1553 VanDerWaalsContact O-C 3.22Å; K1550-K1554 WeakPolarHBondContact O-CA 3.31Å; K1550-K1554 VanDerWaalsContact O-CB 3.26Å; K1550-K1554 WeakPolarHBondContact O-CB 3.46Å; K1550-K1554 WeakPolarHBondContact O-CD 3.27Å; K1550-K1554 WeakPolarHBondContact O-CG 3.48Å; K1550-K1554 PolarHBondContact O-N 2.83Å |
| 1551 | L | 46.4 | Very low | 43.4 | Very low | 77 Ų | 77 | 112.3 Ų | 112.3 | 40% | 0.403 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -90.8 | -39.9 | -178.9 | -152.7 | 81.4 | 0 | 0 | 0 | 110.1 | E1547 L1548 K1553 K1554 L1555 | E1547-L1551 WeakPolarHBondContact O-CB 3.49Å; E1547-L1551 PolarHBondContact O-N 2.88Å; L1548-L1551 PolarHBondContact O-N 2.81Å; L1548-L1551 VanDerWaalsContact O-N 3.16Å; L1551-K1553 VanDerWaalsContact C-N 3.26Å; L1551-K1553 PolarHBondContact O-N 3.31Å; L1551-K1554 HydrophobicContact CD1-CD 4.02Å; L1551-K1554 CarbonylContact O-C 3.55Å; L1551-K1554 PolarHBondContact O-N 3.02Å; L1551-L1555 WeakPolarHBondContact O-CB 3.46Å; L1551-L1555 WeakPolarHBondContact O-CG 3.25Å; L1551-L1555 PolarHBondContact O-N 3.24Å |
| 1552 | A | 47.7 | Very low | 44.4 | Very low | 59 Ų | 59 | 112.9 Ų | 112.9 | 49% | 0.488 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -58.4 | -40.3 | 159.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | L1548 K1554 A1556 | L1548-A1552 WeakPolarHBondContact O-CB 3.4Å; L1548-A1552 PolarHBondContact O-N 3.4Å; A1552-K1554 VanDerWaalsContact C-N 3.31Å; A1552-K1554 PolarHBondContact O-N 2.89Å; A1552-A1556 WeakPolarHBondContact O-CA 3.31Å; A1552-A1556 WeakPolarHBondContact O-CB 3.47Å; A1552-A1556 PolarHBondContact O-N 2.92Å |
| 1553 | K | 47.2 | Very low | 45.4 | Very low | 135 Ų | 135 | 112.5 Ų | 112.5 | 59% | 0.587 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -80.9 | 3.6 | 171.2 | -65.4 | -177.3 | -173.4 | 176.4 | 0 | 115.3 | N1549 K1550 L1551 K1557 | N1549-K1553 WeakPolarHBondContact O-CB 3.22Å; N1549-K1553 VanDerWaalsContact O-CD 3.3Å; N1549-K1553 WeakPolarHBondContact O-CD 3.22Å; N1549-K1553 VanDerWaalsContact O-CG 3.23Å; N1549-K1553 WeakPolarHBondContact O-CG 3.28Å; K1550-K1553 CarbonylContact O-C 3.58Å; K1550-K1553 VanDerWaalsContact O-C 3.22Å; L1551-K1553 VanDerWaalsContact C-N 3.26Å; L1551-K1553 PolarHBondContact O-N 3.31Å; K1553-K1557 VanDerWaalsContact O-CB 3.28Å; K1553-K1557 WeakPolarHBondContact O-CB 3.46Å; K1553-K1557 WeakPolarHBondContact O-CD 3.36Å; K1553-K1557 VanDerWaalsContact O-CG 3.24Å; K1553-K1557 WeakPolarHBondContact O-CG 3.09Å |
| 1554 | K | 49.9 | Very low | 46.2 | Very low | 104 Ų | 104 | 113 Ų | 113 | 45% | 0.452 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -102.3 | -51.8 | 167.9 | -86.7 | 161 | 176.7 | 168.7 | 0 | 108.5 | E1547 K1550 L1551 A1552 A1556 K1557 E1558 | E1547-K1554 IonicContact OE2-NZ 2.75Å; E1547-K1554 PolarHBondContact OE2-NZ 3Å; K1550-K1554 WeakPolarHBondContact O-CA 3.31Å; K1550-K1554 VanDerWaalsContact O-CB 3.26Å; K1550-K1554 WeakPolarHBondContact O-CB 3.46Å; K1550-K1554 WeakPolarHBondContact O-CD 3.27Å; K1550-K1554 WeakPolarHBondContact O-CG 3.48Å; K1550-K1554 PolarHBondContact O-N 2.83Å; L1551-K1554 HydrophobicContact CD1-CD 4.02Å; L1551-K1554 CarbonylContact O-C 3.55Å; L1551-K1554 PolarHBondContact O-N 3.02Å; A1552-K1554 VanDerWaalsContact C-N 3.31Å; A1552-K1554 PolarHBondContact O-N 2.89Å; K1554-A1556 PolarHBondContact O-N 3.42Å; K1554-K1557 CarbonylContact O-C 3.54Å; K1554-K1557 WeakPolarHBondContact O-CA 3.45Å; K1554-K1557 WeakPolarHBondContact O-CB 3.49Å; K1554-K1557 PolarHBondContact O-N 3.27Å; K1554-E1558 WeakPolarHBondContact O-CA 3.48Å; K1554-E1558 WeakPolarHBondContact O-CB 3.48Å; K1554-E1558 PolarHBondContact O-N 3.01Å |
| 1555 | L | 49.4 | Very low | 47 | Very low | 104 Ų | 104 | 114.4 Ų | 114.4 | 55% | 0.545 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -58.9 | -44.4 | 172.6 | -67.4 | 170.9 | 0 | 0 | 0 | 111.7 | L1551 K1557 E1558 E1559 | L1551-L1555 WeakPolarHBondContact O-CB 3.46Å; L1551-L1555 WeakPolarHBondContact O-CG 3.25Å; L1551-L1555 PolarHBondContact O-N 3.24Å; L1555-K1557 VanDerWaalsContact C-N 3.32Å; L1555-K1557 PolarHBondContact O-N 2.85Å; L1555-E1558 CarbonylContact O-C 3.5Å; L1555-E1558 WeakPolarHBondContact O-CA 3.4Å; L1555-E1558 PolarHBondContact O-N 2.55Å; L1555-E1559 WeakPolarHBondContact O-CB 3.36Å; L1555-E1559 PolarHBondContact O-N 2.82Å |
| 1556 | A | 51.7 | Low | 47.7 | Very low | 56 Ų | 56 | 114.6 Ų | 114.6 | 46% | 0.463 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63 | -37.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1552 K1554 E1558 E1560 | A1552-A1556 WeakPolarHBondContact O-CA 3.31Å; A1552-A1556 WeakPolarHBondContact O-CB 3.47Å; A1552-A1556 PolarHBondContact O-N 2.92Å; K1554-A1556 PolarHBondContact O-N 3.42Å; A1556-E1558 PolarHBondContact O-N 3.34Å; A1556-E1560 WeakPolarHBondContact O-CA 3.43Å; A1556-E1560 WeakPolarHBondContact O-CB 3.43Å; A1556-E1560 PolarHBondContact O-N 2.87Å |
| 1557 | K | 49.6 | Very low | 48.3 | Very low | 134 Ų | 134 | 113.6 Ų | 113.6 | 58% | 0.583 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -72.5 | -6.2 | 170.4 | -87.1 | -172.4 | 172.9 | -174.2 | 0 | 114.6 | K1553 K1554 L1555 R1561 | K1553-K1557 VanDerWaalsContact O-CB 3.28Å; K1553-K1557 WeakPolarHBondContact O-CB 3.46Å; K1553-K1557 WeakPolarHBondContact O-CD 3.36Å; K1553-K1557 VanDerWaalsContact O-CG 3.24Å; K1553-K1557 WeakPolarHBondContact O-CG 3.09Å; K1554-K1557 CarbonylContact O-C 3.54Å; K1554-K1557 WeakPolarHBondContact O-CA 3.45Å; K1554-K1557 WeakPolarHBondContact O-CB 3.49Å; K1554-K1557 PolarHBondContact O-N 3.27Å; L1555-K1557 VanDerWaalsContact C-N 3.32Å; L1555-K1557 PolarHBondContact O-N 2.85Å; K1557-R1561 WeakPolarHBondContact O-CB 3.26Å; K1557-R1561 WeakPolarHBondContact O-CD 3.36Å; K1557-R1561 WeakPolarHBondContact O-CG 3.48Å; K1557-R1561 PolarHBondContact O-N 2.97Å |
| 1558 | E | 52.8 | Low | 48.5 | Very low | 109 Ų | 109 | 111.8 Ų | 111.8 | 51% | 0.509 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -107.9 | -37 | -173.1 | -164.2 | 134.7 | -116.5 | 0 | 0 | 109.6 | K1554 L1555 A1556 R1561 K1562 | K1554-E1558 WeakPolarHBondContact O-CA 3.48Å; K1554-E1558 WeakPolarHBondContact O-CB 3.48Å; K1554-E1558 PolarHBondContact O-N 3.01Å; L1555-E1558 CarbonylContact O-C 3.5Å; L1555-E1558 WeakPolarHBondContact O-CA 3.4Å; L1555-E1558 PolarHBondContact O-N 2.55Å; A1556-E1558 PolarHBondContact O-N 3.34Å; E1558-R1561 CarbonylContact O-C 3.58Å; E1558-R1561 PolarHBondContact O-N 3.42Å; E1558-K1562 PolarHBondContact O-N 2.87Å |
| 1559 | E | 52.2 | Low | 48.7 | Very low | 110 Ų | 110 | 110.1 Ų | 110.1 | 51% | 0.514 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -70.3 | -39.5 | 159.6 | -155.2 | -165.8 | 138.8 | 0 | 0 | 111.1 | L1555 R1561 K1562 K1563 | L1555-E1559 WeakPolarHBondContact O-CB 3.36Å; L1555-E1559 PolarHBondContact O-N 2.82Å; E1559-R1561 VanDerWaalsContact C-N 3.27Å; E1559-R1561 PolarHBondContact O-N 3.16Å; E1559-K1562 PolarHBondContact O-N 3.06Å; E1559-K1563 WeakPolarHBondContact O-CB 3.16Å; E1559-K1563 PolarHBondContact O-N 2.73Å; E1559-K1563 IonicContact OE1-NZ 3.95Å; E1559-K1563 PolarHBondContact OE1-NZ 3.44Å |
| 1560 | E | 51.7 | Low | 48.6 | Very low | 82 Ų | 82 | 109 Ų | 109 | 38% | 0.383 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.2 | -23.3 | 167.1 | -169.4 | -159.2 | 172 | 0 | 0 | 111 | A1556 K1564 | A1556-E1560 WeakPolarHBondContact O-CA 3.43Å; A1556-E1560 WeakPolarHBondContact O-CB 3.43Å; A1556-E1560 PolarHBondContact O-N 2.87Å; E1560-K1564 HydrophobicContact CG-CD 4.07Å; E1560-K1564 HydrophobicContact CG-CG 4.42Å; E1560-K1564 WeakPolarHBondContact O-CA 3.43Å; E1560-K1564 WeakPolarHBondContact O-CB 3.45Å; E1560-K1564 WeakPolarHBondContact O-CG 3.49Å; E1560-K1564 PolarHBondContact O-N 2.96Å; E1560-K1564 VanDerWaalsContact OE1-CE 3.29Å; E1560-K1564 WeakPolarHBondContact OE1-CE 3.46Å; E1560-K1564 IonicContact OE1-NZ 2.71Å; E1560-K1564 PolarHBondContact OE1-NZ 2.65Å |
| 1561 | R | 53.7 | Low | 48.4 | Very low | 172 Ų | 172 | 106.4 Ų | 106.4 | 65% | 0.649 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -83.3 | -22.2 | 167.5 | -91.3 | 169.1 | 149 | -164.3 | -5.6 | 113.5 | K1557 E1558 E1559 K1564 K1565 | K1557-R1561 WeakPolarHBondContact O-CB 3.26Å; K1557-R1561 WeakPolarHBondContact O-CD 3.36Å; K1557-R1561 WeakPolarHBondContact O-CG 3.48Å; K1557-R1561 PolarHBondContact O-N 2.97Å; E1558-R1561 CarbonylContact O-C 3.58Å; E1558-R1561 PolarHBondContact O-N 3.42Å; E1559-R1561 VanDerWaalsContact C-N 3.27Å; E1559-R1561 PolarHBondContact O-N 3.16Å; R1561-K1564 CarbonylContact O-C 3.49Å; R1561-K1565 WeakPolarHBondContact O-CB 3.46Å; R1561-K1565 VanDerWaalsContact O-CG 3.28Å; R1561-K1565 WeakPolarHBondContact O-CG 3.36Å; R1561-K1565 PolarHBondContact O-N 2.95Å |
| 1562 | K | 52.6 | Low | 48.2 | Very low | 142 Ų | 142 | 110.7 Ų | 110.7 | 62% | 0.617 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.2 | -56.2 | 164.1 | -99.7 | -169.6 | 168.4 | -168.8 | 0 | 108.7 | E1558 E1559 K1564 K1565 E1566 | E1558-K1562 PolarHBondContact O-N 2.87Å; E1559-K1562 PolarHBondContact O-N 3.06Å; K1562-K1564 PolarHBondContact O-N 3.28Å; K1562-K1564 VanDerWaalsContact O-N 3.16Å; K1562-K1565 CarbonylContact O-C 3.53Å; K1562-K1565 WeakPolarHBondContact O-CA 3.09Å; K1562-K1565 PolarHBondContact O-N 2.95Å; K1562-E1566 VanDerWaalsContact C-OE2 3.3Å; K1562-E1566 WeakPolarHBondContact O-CB 3.49Å; K1562-E1566 PolarHBondContact O-N 2.91Å |
| 1563 | K | 51.7 | Low | 47.9 | Very low | 115 Ų | 115 | 113.4 Ų | 113.4 | 50% | 0.5 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62 | -23.5 | 175.4 | -70.7 | 166.1 | 175.7 | 166.7 | 0 | 113.3 | E1559 E1566 K1567 | E1559-K1563 WeakPolarHBondContact O-CB 3.16Å; E1559-K1563 PolarHBondContact O-N 2.73Å; E1559-K1563 IonicContact OE1-NZ 3.95Å; E1559-K1563 PolarHBondContact OE1-NZ 3.44Å; K1563-E1566 PolarHBondContact N-OE2 2.99Å; K1563-K1567 WeakPolarHBondContact O-CB 3.32Å; K1563-K1567 VanDerWaalsContact O-CG 3.3Å; K1563-K1567 WeakPolarHBondContact O-CG 3.35Å; K1563-K1567 PolarHBondContact O-N 3.13Å |
| 1564 | K | 49.9 | Very low | 47.7 | Very low | 119 Ų | 119 | 114.7 Ų | 114.7 | 52% | 0.517 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -95.7 | -1.1 | 166.7 | -71.8 | 175.2 | 169 | 169.1 | 0 | 115.1 | E1560 R1561 K1562 A1568 | E1560-K1564 HydrophobicContact CG-CD 4.07Å; E1560-K1564 HydrophobicContact CG-CG 4.42Å; E1560-K1564 WeakPolarHBondContact O-CA 3.43Å; E1560-K1564 WeakPolarHBondContact O-CB 3.45Å; E1560-K1564 WeakPolarHBondContact O-CG 3.49Å; E1560-K1564 PolarHBondContact O-N 2.96Å; E1560-K1564 VanDerWaalsContact OE1-CE 3.29Å; E1560-K1564 WeakPolarHBondContact OE1-CE 3.46Å; E1560-K1564 IonicContact OE1-NZ 2.71Å; E1560-K1564 PolarHBondContact OE1-NZ 2.65Å; R1561-K1564 CarbonylContact O-C 3.49Å; K1562-K1564 PolarHBondContact O-N 3.28Å; K1562-K1564 VanDerWaalsContact O-N 3.16Å; K1564-A1568 WeakPolarHBondContact O-CB 3.36Å; K1564-A1568 PolarHBondContact O-N 3.47Å; K1564-A1568 VanDerWaalsContact O-N 3.15Å |
| 1565 | K | 50.6 | Low | 47.3 | Very low | 166 Ų | 166 | 117.2 Ų | 117.2 | 72% | 0.722 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -90.9 | -38.7 | 161.1 | -87.1 | -173.8 | 168.7 | -166.8 | 0 | 109.9 | R1561 K1562 A1569 | R1561-K1565 WeakPolarHBondContact O-CB 3.46Å; R1561-K1565 VanDerWaalsContact O-CG 3.28Å; R1561-K1565 WeakPolarHBondContact O-CG 3.36Å; R1561-K1565 PolarHBondContact O-N 2.95Å; K1562-K1565 CarbonylContact O-C 3.53Å; K1562-K1565 WeakPolarHBondContact O-CA 3.09Å; K1562-K1565 PolarHBondContact O-N 2.95Å; K1565-A1569 WeakPolarHBondContact O-CB 3.14Å; K1565-A1569 PolarHBondContact O-N 3.44Å |
| 1566 | E | 47.6 | Very low | 46.8 | Very low | 116 Ų | 116 | 115.8 Ų | 115.8 | 54% | 0.542 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.3 | -48.5 | 168.3 | -68.9 | 150.2 | 173.7 | 0 | 0 | 110.1 | K1562 K1563 A1570 | K1562-E1566 VanDerWaalsContact C-OE2 3.3Å; K1562-E1566 WeakPolarHBondContact O-CB 3.49Å; K1562-E1566 PolarHBondContact O-N 2.91Å; K1563-E1566 PolarHBondContact N-OE2 2.99Å; E1566-A1570 PolarHBondContact O-N 3.15Å |
| 1567 | K | 46.9 | Very low | 45.8 | Very low | 158 Ų | 158 | 122.3 Ų | 122.3 | 69% | 0.687 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -9.9 | 174.1 | -67 | -165.3 | 170.7 | -165.7 | 0 | 116.6 | K1563 A1570 A1571 | K1563-K1567 WeakPolarHBondContact O-CB 3.32Å; K1563-K1567 VanDerWaalsContact O-CG 3.3Å; K1563-K1567 WeakPolarHBondContact O-CG 3.35Å; K1563-K1567 PolarHBondContact O-N 3.13Å; K1567-A1570 CarbonylContact O-C 3.52Å; K1567-A1571 WeakPolarHBondContact O-CB 3.38Å; K1567-A1571 PolarHBondContact O-N 2.88Å; K1567-A1571 VanDerWaalsContact O-N 3.08Å |
| 1568 | A | 41.6 | Very low | 44.9 | Very low | 41 Ų | 41 | 124.8 Ų | 124.8 | 34% | 0.339 | 63% | 0.631 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.8 | -1.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114 | K1564 | K1564-A1568 WeakPolarHBondContact O-CB 3.36Å; K1564-A1568 PolarHBondContact O-N 3.47Å; K1564-A1568 VanDerWaalsContact O-N 3.15Å |
| 1569 | A | 43.3 | Very low | 43.9 | Very low | 88 Ų | 88 | 125.2 Ų | 125.2 | 73% | 0.727 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -77.3 | -15.8 | 149.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | K1565 | K1565-A1569 WeakPolarHBondContact O-CB 3.14Å; K1565-A1569 PolarHBondContact O-N 3.44Å |
| 1570 | A | 38.9 | Very low | 42.8 | Very low | 85 Ų | 85 | 126.3 Ų | 126.3 | 70% | 0.702 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -115.8 | 13.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | E1566 K1567 | E1566-A1570 PolarHBondContact O-N 3.15Å; K1567-A1570 CarbonylContact O-C 3.52Å |
| 1571 | A | 41.1 | Very low | 41.7 | Very low | 63 Ų | 63 | 130.4 Ų | 130.4 | 52% | 0.521 | 68% | 0.68 | S | S | . | * | S | Bend | trans | -156.4 | 29.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | K1567 | K1567-A1571 WeakPolarHBondContact O-CB 3.38Å; K1567-A1571 PolarHBondContact O-N 2.88Å; K1567-A1571 VanDerWaalsContact O-N 3.08Å |
| 1572 | K | 41.4 | Very low | 40.8 | Very low | 166 Ų | 166 | 130.9 Ų | 130.9 | 72% | 0.722 | 69% | 0.687 | S | S | * | * | trans | -133.7 | 124.1 | 158 | -78.5 | -171.8 | 167.8 | -160.9 | 0 | 105.1 | ||||
| 1573 | V | 42.4 | Very low | 39.7 | Very low | 117 Ų | 117 | 134 Ų | 134 | 71% | 0.709 | 70% | 0.7 | S | S | * | * | cis | -129.7 | 126.7 | 10.5 | 177.2 | 0 | 0 | 0 | 0 | 105.7 | L1575 | V1573-L1575 HydrophobicContact CG1-CB 4.05Å; V1573-L1575 HydrophobicContact CG1-CD1 4.11Å; V1573-L1575 HydrophobicContact CG1-CG 4.5Å | ||
| 1574 | E | 43.5 | Very low | 38.7 | Very low | 162 Ų | 162 | 139.6 Ų | 139.6 | 76% | 0.757 | 72% | 0.718 | S | S | * | * | cis | 66 | 52.2 | 29.1 | -100.5 | -69.4 | 163.9 | 0 | 0 | 113.8 | ||||
| 1575 | L | 39.7 | Very low | 37.8 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 82% | 0.817 | 73% | 0.732 | S | S | * | * | trans | -171 | 131.7 | 158.7 | -96.1 | 149.7 | 0 | 0 | 0 | 106.3 | V1573 | V1573-L1575 HydrophobicContact CG1-CB 4.05Å; V1573-L1575 HydrophobicContact CG1-CD1 4.11Å; V1573-L1575 HydrophobicContact CG1-CG 4.5Å | ||
| 1576 | A | 39.8 | Very low | 36.9 | Very low | 74 Ų | 74 | 146.5 Ų | 146.5 | 61% | 0.612 | 74% | 0.744 | S | S | * | * | S | Bend | cis | -152.8 | 145.1 | 10.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1577 | K | 31.6 | Very low | 36.1 | Very low | 194 Ų | 194 | 150.2 Ų | 150.2 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | trans | 75.6 | 116.9 | 168.1 | -50.2 | 172.6 | -176.4 | 177.3 | 0 | 114.8 | ||||
| 1578 | E | 30.7 | Very low | 35.5 | Very low | 186 Ų | 186 | 148.7 Ų | 148.7 | 87% | 0.869 | 76% | 0.762 | S | S | * | * | cis | -168.8 | 174 | 45.4 | -126.2 | 168.1 | -141 | 0 | 0 | 114.2 | ||||
| 1579 | S | 31.8 | Very low | 35.1 | Very low | 118 Ų | 118 | 153.4 Ų | 153.4 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | 74.5 | 143.1 | 166.9 | -157.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1580 | T | 27.6 | Very low | 34.6 | Very low | 133 Ų | 133 | 156.6 Ų | 156.6 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | trans | -156.4 | 126.9 | -172 | 55.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 1581 | E | 29.7 | Very low | 34.3 | Very low | 167 Ų | 167 | 159.2 Ų | 159.2 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | trans | -168 | 169.6 | 151.4 | -128.5 | -168.4 | -159.8 | 0 | 0 | 115.8 | ||||
| 1582 | K | 33.7 | Very low | 34.2 | Very low | 183 Ų | 183 | 161.8 Ų | 161.8 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | trans | 64.7 | 118.7 | 163.7 | -68.9 | 165 | -175.8 | 160.1 | 0 | 120.3 | ||||
| 1583 | K | 30.5 | Very low | 33.6 | Very low | 208 Ų | 208 | 158.4 Ų | 158.4 | 90% | 0.904 | 80% | 0.795 | S | S | * | * | trans | -161.1 | 105 | 162.6 | -162.7 | 168.4 | -167 | 160.9 | 0 | 114.9 | ||||
| 1584 | R | 29.8 | Very low | 33 | Very low | 231 Ų | 231 | 161.9 Ų | 161.9 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | trans | -154.9 | 156.4 | 161 | -107.3 | -175.9 | -172.9 | -168.9 | 3.5 | 111.3 | ||||
| 1585 | E | 32.4 | Very low | 32.4 | Very low | 174 Ų | 174 | 164.6 Ų | 164.6 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | 62.6 | 112.8 | 162.6 | -68.4 | 172.1 | -163 | 0 | 0 | 120.9 | ||||
| 1586 | R | 32 | Very low | 32.2 | Very low | 256 Ų | 256 | 163.4 Ų | 163.4 | 97% | 0.966 | 80% | 0.8 | S | S | * | * | trans | -151.3 | 145.3 | 139.9 | -107 | -172.3 | -177.5 | -163 | 0.5 | 109 | ||||
| 1587 | K | 30.3 | Very low | 31.7 | Very low | 195 Ų | 195 | 171.6 Ų | 171.6 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | trans | -167 | 159.3 | -175.3 | -148.3 | -176.8 | -174.5 | -172.4 | 0 | 107.5 | ||||
| 1588 | V | 34.1 | Very low | 31.6 | Very low | 125 Ų | 125 | 168 Ų | 168 | 76% | 0.758 | 81% | 0.814 | S | S | * | * | trans | 68.7 | 136.2 | 172 | 171.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1589 | L | 34 | Very low | 31.5 | Very low | 140 Ų | 140 | 162.8 Ų | 162.8 | 73% | 0.733 | 81% | 0.81 | S | S | * | * | cis | -149.6 | 167 | -15.7 | -116.4 | 177.5 | 0 | 0 | 0 | 108.9 | I1591 | L1589-I1591 HydrophobicContact CD2-CD1 4.28Å; L1589-I1591 HydrophobicContact CD2-CG1 4.26Å | ||
| 1590 | D | 31.9 | Very low | 31.7 | Very low | 156 Ų | 156 | 161.6 Ų | 161.6 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | trans | -152.6 | 121.6 | 174.3 | -172.2 | 12.1 | 0 | 0 | 0 | 108.9 | ||||
| 1591 | I | 33.3 | Very low | 31.9 | Very low | 140 Ų | 140 | 163.7 Ų | 163.7 | 72% | 0.718 | 81% | 0.808 | S | S | * | * | trans | -148 | 143.8 | -173.1 | -71.4 | -171.7 | 0 | 0 | 0 | 109.5 | L1589 | L1589-I1591 HydrophobicContact CD2-CD1 4.28Å; L1589-I1591 HydrophobicContact CD2-CG1 4.26Å | ||
| 1592 | P | 37.6 | Very low | 31.9 | Very low | 116 Ų | 116 | 164.4 Ų | 164.4 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | trans | -127.6 | -171.7 | -145.3 | 44.1 | -30.5 | 0 | 0 | 0 | 116 | ||||
| 1593 | S | 29.8 | Very low | 31.9 | Very low | 96 Ų | 96 | 161.1 Ų | 161.1 | 67% | 0.671 | 81% | 0.811 | S | S | * | * | trans | 105.1 | 115.1 | 147.6 | -175.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1594 | K | 30 | Very low | 32 | Very low | 189 Ų | 189 | 158.2 Ų | 158.2 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | trans | 49.8 | 120.4 | 144.2 | -61.8 | 178.1 | 174.8 | -167.2 | 0 | 119.7 | ||||
| 1595 | Y | 30.6 | Very low | 32.3 | Very low | 219 Ų | 219 | 154.9 Ų | 154.9 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | -149.7 | 157.9 | 111.8 | -120.1 | -84 | 0 | 0 | 0 | 109.5 | |||||
| 1596 | D | 34.3 | Very low | 32.7 | Very low | 131 Ų | 131 | 153.7 Ų | 153.7 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | -76.9 | 160.5 | 170.2 | -64.7 | -74.1 | 0 | 0 | 0 | 111 | ||||
| 1597 | W | 31.1 | Very low | 33.5 | Very low | 247 Ų | 247 | 149.7 Ų | 149.7 | 94% | 0.936 | 80% | 0.797 | S | S | * | * | trans | -178.6 | 86.6 | 131.3 | -86.7 | 122 | 0 | 0 | 0 | 109.2 | ||||
| 1598 | S | 29.2 | Very low | 34.9 | Very low | 118 Ų | 118 | 142.5 Ų | 142.5 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | -101.7 | 116.6 | 163.9 | 55.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1599 | G | 28.9 | Very low | 36.8 | Very low | 76 Ų | 76 | 142.4 Ų | 142.4 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | trans | -153.4 | 84.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1600 | A | 35 | Very low | 39.4 | Very low | 93 Ų | 93 | 136.2 Ų | 136.2 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | trans | 175 | 119.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1601 | E | 30.9 | Very low | 42 | Very low | 178 Ų | 178 | 130.7 Ų | 130.7 | 83% | 0.832 | 72% | 0.718 | S | S | * | * | cis | 61.2 | 110.3 | 6.4 | -74.5 | 178.3 | -160.8 | 0 | 0 | 113.7 | ||||
| 1602 | E | 31 | Very low | 44.4 | Very low | 182 Ų | 182 | 124.7 Ų | 124.7 | 85% | 0.85 | 69% | 0.69 | S | S | * | * | cis | -146.8 | -171.1 | 2 | -67.8 | -173.2 | 117 | 0 | 0 | 110.8 | ||||
| 1603 | S | 34.1 | Very low | 46.3 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 79% | 0.79 | 69% | 0.693 | S | S | * | * | trans | 73.5 | 127.5 | 168.9 | 178.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1604 | D | 31.1 | Very low | 48.6 | Very low | 148 Ų | 148 | 129.7 Ų | 129.7 | 79% | 0.791 | 70% | 0.697 | S | S | * | * | cis | -165.2 | 158.1 | -28.3 | -123.6 | -20.8 | 0 | 0 | 0 | 107.3 | ||||
| 1605 | D | 37.4 | Very low | 51.2 | Low | 161 Ų | 161 | 122.9 Ų | 122.9 | 86% | 0.861 | 67% | 0.673 | S | S | * | * | trans | 61.4 | 154.3 | -168.2 | -74 | -41.5 | 0 | 0 | 0 | 114.3 | ||||
| 1606 | E | 41.3 | Very low | 53.2 | Low | 149 Ų | 149 | 116.9 Ų | 116.9 | 70% | 0.696 | 65% | 0.652 | S | S | * | * | cis | -126.4 | 141.9 | 1.3 | -65.7 | -177.4 | 152.3 | 0 | 0 | 111.2 | A1608 | E1606-A1608 HydrophobicContact CB-CB 4.1Å; E1606-A1608 PolarHBondContact O-N 3.17Å; E1606-A1608 VanDerWaalsContact O-N 3.17Å | ||
| 1607 | N | 47.9 | Very low | 55.2 | Low | 171 Ų | 171 | 120.4 Ų | 120.4 | 91% | 0.914 | 66% | 0.656 | S | S | * | * | trans | -82.3 | 26.2 | 170.1 | -92.3 | -76.1 | 0 | 0 | 0 | 113.7 | V1609 | N1607-V1609 PolarHBondContact O-N 2.91Š| ||
| 1608 | A | 59.9 | Low | 57.3 | Low | 45 Ų | 45 | 110.6 Ų | 110.6 | 37% | 0.372 | 62% | 0.624 | S | S | . | * | trans | -83 | 83.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1606 W1625 | E1606-A1608 HydrophobicContact CB-CB 4.1Å; E1606-A1608 PolarHBondContact O-N 3.17Å; E1606-A1608 VanDerWaalsContact O-N 3.17Å; A1608-W1625 HydrophobicContact CB-CH2 3.86Å; A1608-W1625 HydrophobicContact CB-CZ2 3.48Å; A1608-W1625 VanDerWaalsContact CB-CZ2 3.48Å; A1608-W1625 WeakPolarHBondContact O-CH2 3.08Å | ||
| 1609 | V | 73.2 | Confident | 58.5 | Low | 123 Ų | 123 | 110.8 Ų | 110.8 | 75% | 0.745 | 62% | 0.624 | S | S | * | * | trans | -91.9 | 108.6 | 178.8 | -176.1 | 0 | 0 | 0 | 0 | 111.3 | N1607 A1611 | N1607-V1609 PolarHBondContact O-N 2.91Å; V1609-A1611 PolarHBondContact O-N 3.45Å | ||
| 1610 | C | 88.7 | Confident | 59.7 | Low | 10 Ų | 10 | 115.4 Ų | 115.4 | 7% | 0.068 | 62% | 0.622 | C | S | . | * | trans | -64.1 | 120.4 | 174.7 | 163.8 | 0 | 0 | 0 | 0 | 112.6 | A1612 W1625 W1635 H1637 | C1610-A1612 PolarHBondContact O-N 3.4Å; C1610-A1612 VanDerWaalsContact O-N 3.1Å; C1610-A1612 VanDerWaalsContact SG-CB 3.58Å; C1610-W1625 HydrophobicContact CB-CH2 3.88Å; C1610-W1625 HydrophobicContact CB-CZ3 3.83Å; C1610-W1635 WeakPolarHBondContact CA-O 3.22Å; C1610-H1637 WeakPolarHBondContact CB-CE1 3.4Å; C1610-H1637 WeakPolarHBondContact CB-ND1 3.43Å; C1610-H1637 WeakPolarHBondContact CB-NE2 3.37Å; C1610-H1637 PolarHBondContact SG-N 3.42Å | ||
| 1611 | A | 86.5 | Confident | 60.8 | Low | 39 Ų | 39 | 119.2 Ų | 119.2 | 32% | 0.322 | 63% | 0.63 | S | S | . | * | trans | -73.4 | 5.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | V1609 Q1613 E1634 W1635 F1636 | V1609-A1611 PolarHBondContact O-N 3.45Å; A1611-Q1613 PolarHBondContact O-N 3.04Å; A1611-E1634 HydrophobicContact CB-CB 3.84Å; A1611-E1634 HydrophobicContact CB-CG 4.27Å; A1611-W1635 PolarHBondContact N-O 3.07Å; A1611-F1636 VanDerWaalsContact C-CE1 3.48Å; A1611-F1636 HydrophobicContact CB-CD1 4.17Å; A1611-F1636 HydrophobicContact CB-CE1 3.72Å; A1611-F1636 HydrophobicContact CB-CE2 4.38Å; A1611-F1636 HydrophobicContact CB-CZ 3.83Å | ||
| 1612 | A | 84.2 | Confident | 62.3 | Low | 15 Ų | 15 | 119.3 Ų | 119.3 | 12% | 0.124 | 63% | 0.628 | C | S | . | * | trans | -68.6 | 124.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | C1610 N1614 C1615 F1636 C1640 V1641 | C1610-A1612 PolarHBondContact O-N 3.4Å; C1610-A1612 VanDerWaalsContact O-N 3.1Å; C1610-A1612 VanDerWaalsContact SG-CB 3.58Å; A1612-N1614 PolarHBondContact O-N 3Å; A1612-C1615 HydrophobicContact CB-CB 4.38Å; A1612-C1615 WeakPolarHBondContact O-CB 3.15Å; A1612-C1615 PolarHBondContact O-N 3.1Å; A1612-F1636 HydrophobicContact CB-CD1 4.02Å; A1612-C1640 HydrophobicContact CB-CB 3.77Å; A1612-V1641 HydrophobicContact CB-CG1 4.37Å | ||
| 1613 | Q | 77.7 | Confident | 64.4 | Low | 176 Ų | 176 | 113 Ų | 113 | 82% | 0.822 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | -24.7 | 176 | -71.1 | -175 | -19.8 | 0 | 0 | 113.7 | A1611 | A1611-Q1613 PolarHBondContact O-N 3.04Š|
| 1614 | N | 77.7 | Confident | 66.8 | Low | 141 Ų | 141 | 111.8 Ų | 111.8 | 75% | 0.754 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.9 | 45.7 | 174.4 | -69.4 | -39 | 0 | 0 | 0 | 111.3 | A1612 Q1616 | A1612-N1614 PolarHBondContact O-N 3Å; N1614-Q1616 WeakPolarHBondContact O-CG 3.39Å; N1614-Q1616 PolarHBondContact O-N 3.28Å |
| 1615 | C | 85.3 | Confident | 69.6 | Low | 46 Ų | 46 | 107.6 Ų | 107.6 | 31% | 0.311 | 56% | 0.559 | S | S | . | * | trans | -52.3 | 120.9 | 177.1 | 179.1 | 0 | 0 | 0 | 0 | 111.7 | A1612 R1617 H1637 | A1612-C1615 HydrophobicContact CB-CB 4.38Å; A1612-C1615 WeakPolarHBondContact O-CB 3.15Å; A1612-C1615 PolarHBondContact O-N 3.1Å; C1615-R1617 VanDerWaalsContact C-N 3.35Å; C1615-H1637 VanDerWaalsContact SG-CE1 3.51Å | ||
| 1616 | Q | 72.2 | Confident | 72.2 | Confident | 93 Ų | 93 | 100.7 Ų | 100.7 | 44% | 0.435 | 52% | 0.523 | S | S | . | . | trans | -87.2 | 1.3 | -174.3 | -53.2 | -155.5 | 85.3 | 0 | 0 | 114.1 | N1614 V1639 C1640 | N1614-Q1616 WeakPolarHBondContact O-CG 3.39Å; N1614-Q1616 PolarHBondContact O-N 3.28Å; Q1616-V1639 PolarHBondContact NE2-O 3.07Å; Q1616-C1640 PolarHBondContact N-SG 2.9Å | ||
| 1617 | R | 75.5 | Confident | 74.6 | Confident | 204 Ų | 204 | 97 Ų | 97 | 77% | 0.77 | 51% | 0.506 | S | S | * | . | trans | 42.8 | 67.3 | -179.6 | -63.7 | -175.1 | 175.9 | -135.9 | -1.7 | 113.5 | C1615 C1619 | C1615-R1617 VanDerWaalsContact C-N 3.35Å; R1617-C1619 PolarHBondContact O-N 3.08Å; R1617-C1619 VanDerWaalsContact O-N 3.1Å; R1617-C1619 PolarHBondContact O-SG 3.36Å | ||
| 1618 | P | 76.7 | Confident | 76.7 | Confident | 41 Ų | 41 | 89 Ų | 89 | 27% | 0.266 | 46% | 0.463 | S | S | . | . | trans | -66.4 | 107.7 | 178.4 | 29 | -34.1 | 0 | 0 | 0 | 110.9 | K1620 V1623 H1637 | P1618-K1620 PolarHBondContact O-N 3.29Å; P1618-V1623 HydrophobicContact CG-CG1 3.76Å; P1618-V1623 HydrophobicContact CG-CG2 4.21Å; P1618-V1623 VanDerWaalsContact O-CG2 3.29Å; P1618-V1623 WeakPolarHBondContact O-CG2 3.43Å; P1618-H1637 VanDerWaalsContact CD-ND1 3.35Å; P1618-H1637 WeakPolarHBondContact CD-ND1 3.27Å; P1618-H1637 HydrophobicContact CG-CB 4.26Å | ||
| 1619 | C | 53.4 | Low | 78 | Confident | 122 Ų | 122 | 91.4 Ų | 91.4 | 82% | 0.824 | 47% | 0.469 | S | S | * | . | trans | -93.4 | 91.4 | 176.2 | -58.7 | 0 | 0 | 0 | 0 | 110.6 | R1617 | R1617-C1619 PolarHBondContact O-N 3.08Å; R1617-C1619 VanDerWaalsContact O-N 3.1Å; R1617-C1619 PolarHBondContact O-SG 3.36Å | ||
| 1620 | K | 54.8 | Low | 78.3 | Confident | 173 Ų | 173 | 86.4 Ų | 86.4 | 75% | 0.752 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -151.2 | 158.8 | 166.4 | -69.5 | -162.3 | 175.6 | -168.6 | 0 | 109.2 | P1618 K1622 | P1618-K1620 PolarHBondContact O-N 3.29Å; K1620-K1622 CarbonylContact O-C 3.24Å; K1620-K1622 PolarHBondContact O-N 3.38Å |
| 1621 | D | 56.5 | Low | 77.8 | Confident | 173 Ų | 173 | 88.8 Ų | 88.8 | 93% | 0.925 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -62.4 | -4 | -171.1 | -37.9 | -50.4 | 0 | 0 | 0 | 115.7 | ||
| 1622 | K | 62.8 | Low | 77.8 | Confident | 181 Ų | 181 | 88.8 Ų | 88.8 | 79% | 0.787 | 47% | 0.466 | S | S | * | . | trans | -140.2 | 123.6 | 167.9 | -63.4 | -176.4 | -177 | 174.7 | 0 | 108.5 | K1620 | K1620-K1622 CarbonylContact O-C 3.24Å; K1620-K1622 PolarHBondContact O-N 3.38Å | ||
| 1623 | V | 74.7 | Confident | 77.9 | Confident | 49 Ų | 49 | 93.3 Ų | 93.3 | 30% | 0.297 | 49% | 0.488 | S | S | . | . | trans | -111.8 | 116.7 | 174.4 | 175.5 | 0 | 0 | 0 | 0 | 108.2 | P1618 H1637 | P1618-V1623 HydrophobicContact CG-CG1 3.76Å; P1618-V1623 HydrophobicContact CG-CG2 4.21Å; P1618-V1623 VanDerWaalsContact O-CG2 3.29Å; P1618-V1623 WeakPolarHBondContact O-CG2 3.43Å; V1623-H1637 HydrophobicContact CG1-CB 4.2Å; V1623-H1637 WeakPolarHBondContact CG1-CD2 3.49Å | ||
| 1624 | D | 85.4 | Confident | 78.4 | Confident | 88 Ų | 88 | 89.7 Ų | 89.7 | 47% | 0.471 | 47% | 0.471 | S | S | . | . | trans | -79.4 | 130.9 | -179.5 | -57.4 | -60.4 | 0 | 0 | 0 | 111.3 | H1637 Q1638 | D1624-H1637 CarbonylContact O-C 3.41Å; D1624-H1637 VanDerWaalsContact O-CA 3.31Å; D1624-H1637 WeakPolarHBondContact O-CA 3.28Å; D1624-Q1638 HydrophobicContact CB-CB 4.3Å; D1624-Q1638 HydrophobicContact CB-CG 4.1Å; D1624-Q1638 PolarHBondContact O-N 3.21Å | ||
| 1625 | W | 90.2 | Very high | 79.1 | Confident | 60 Ų | 60 | 88.8 Ų | 88.8 | 23% | 0.227 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 157.5 | -173.5 | -74 | 95.2 | 0 | 0 | 0 | 112.6 | A1608 C1610 W1635 F1636 H1637 Q1638 | A1608-W1625 HydrophobicContact CB-CH2 3.86Å; A1608-W1625 HydrophobicContact CB-CZ2 3.48Å; A1608-W1625 VanDerWaalsContact CB-CZ2 3.48Å; A1608-W1625 WeakPolarHBondContact O-CH2 3.08Å; C1610-W1625 HydrophobicContact CB-CH2 3.88Å; C1610-W1625 HydrophobicContact CB-CZ3 3.83Å; W1625-W1635 HydrophobicContact CB-CE3 3.93Å; W1625-W1635 HydrophobicContact CB-CZ3 4Å; W1625-W1635 HydrophobicContact CE3-CB 3.88Å; W1625-W1635 HydrophobicContact CE3-CE3 4.28Å; W1625-W1635 HydrophobicContact CZ3-CB 3.86Å; W1625-F1636 CarbonylContact C-O 3.4Å; W1625-F1636 WeakPolarHBondContact CA-O 3.37Å; W1625-H1637 AromaticContact CD2-CD2 3.92Å; W1625-H1637 AromaticContact CE2-CD2 3.62Å; W1625-H1637 AromaticContact CE3-CD2 3.93Å; W1625-H1637 AromaticContact CH2-CD2 3.39Å; W1625-H1637 WeakPolarHBondContact CH2-CD2 3.46Å; W1625-H1637 AromaticContact CH2-NE2 3.35Å; W1625-H1637 VanDerWaalsContact CH2-NE2 3.35Å; W1625-H1637 WeakPolarHBondContact CH2-NE2 3.05Å; W1625-H1637 AromaticContact CZ2-CD2 3.34Å; W1625-H1637 WeakPolarHBondContact CZ2-CD2 3.29Å; W1625-H1637 AromaticContact CZ2-NE2 3.36Å; W1625-H1637 WeakPolarHBondContact CZ2-NE2 3.32Å; W1625-H1637 AromaticContact CZ3-CD2 3.7Å; W1625-Q1638 PolarHBondContact O-NE2 3.46Å |
| 1626 | V | 90.9 | Very high | 79.4 | Confident | 16 Ų | 16 | 87.2 Ų | 87.2 | 10% | 0.097 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 141.5 | 171.1 | 63.3 | 0 | 0 | 0 | 0 | 109.8 | F1636 Q1638 V1641 V1643 Y1653 | V1626-F1636 HydrophobicContact CG1-CB 4.17Å; V1626-F1636 PolarHBondContact N-O 3.4Å; V1626-F1636 PolarHBondContact O-N 3.02Å; V1626-Q1638 HydrophobicContact CB-CG 4.05Å; V1626-Q1638 HydrophobicContact CG1-CG 4.13Å; V1626-V1641 HydrophobicContact CG1-CG2 3.69Å; V1626-V1643 HydrophobicContact CG1-CG2 4.38Å; V1626-Y1653 HydrophobicContact CG1-CD1 4.15Å; V1626-Y1653 HydrophobicContact CG1-CE1 4.48Å; V1626-Y1653 HydrophobicContact CG1-CG 4.38Å; V1626-Y1653 HydrophobicContact CG2-CD1 3.98Å; V1626-Y1653 HydrophobicContact CG2-CG 3.79Å |
| 1627 | Q | 91.7 | Very high | 80.4 | Confident | 72 Ų | 72 | 83.6 Ų | 83.6 | 34% | 0.336 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 151.4 | 179.7 | -165.3 | 174.9 | 17.3 | 0 | 0 | 110.2 | D1629 D1633 W1635 Y1653 | Q1627-D1629 PolarHBondContact O-N 2.98Å; Q1627-D1633 WeakPolarHBondContact CG-O 3.3Å; Q1627-D1633 PolarHBondContact NE2-O 3.14Å; Q1627-W1635 HydrophobicContact CB-CD2 4.06Å; Q1627-W1635 HydrophobicContact CB-CE3 4.19Å; Q1627-W1635 HydrophobicContact CB-CH2 4.19Å; Q1627-W1635 HydrophobicContact CB-CZ2 4.04Å; Q1627-W1635 HydrophobicContact CB-CZ3 4.26Å; Q1627-W1635 HydrophobicContact CG-CD2 4.15Å; Q1627-W1635 HydrophobicContact CG-CG 4.41Å; Q1627-W1635 HydrophobicContact CG-CZ2 4.14Å; Q1627-Y1653 WeakPolarHBondContact O-CD1 3.2Å |
| 1628 | C | 92 | Very high | 81 | Confident | 1 Ų | 1 | 74.8 Ų | 74.8 | 1% | 0.007 | 40% | 0.396 | C | S | . | . | trans | -89.4 | 100.6 | 179.3 | 174.3 | 0 | 0 | 0 | 0 | 113.8 | G1630 D1633 E1634 F1636 Y1653 C1655 | C1628-G1630 PolarHBondContact O-N 3.08Å; C1628-G1630 VanDerWaalsContact O-N 3.14Å; C1628-D1633 PolarHBondContact O-N 3.34Å; C1628-E1634 PolarHBondContact N-O 2.85Å; C1628-F1636 HydrophobicContact CB-CD2 4.46Å; C1628-F1636 HydrophobicContact CB-CE2 3.75Å; C1628-Y1653 CarbonylContact C-O 3.56Å; C1628-Y1653 VanDerWaalsContact CA-O 3.3Å; C1628-Y1653 WeakPolarHBondContact CA-O 3.34Å; C1628-Y1653 HydrophobicContact CB-CD1 4.28Å; C1628-Y1653 HydrophobicContact CB-CE1 4.34Å; C1628-C1655 HydrophobicContact CB-CB 4.07Å; C1628-C1655 PolarHBondContact SG-N 3.02Å; C1628-C1655 VanDerWaalsContact SG-SG 3.62Å | ||
| 1629 | D | 87.3 | Confident | 81.5 | Confident | 96 Ų | 96 | 77 Ų | 77 | 51% | 0.513 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -17.8 | 175.6 | -55.5 | -64 | 0 | 0 | 0 | 113.8 | Q1627 G1631 D1652 Y1653 | Q1627-D1629 PolarHBondContact O-N 2.98Å; D1629-G1631 PolarHBondContact O-N 2.96Å; D1629-D1652 HydrophobicContact CB-CB 4.23Å; D1629-Y1653 PolarHBondContact N-O 3.42Å; D1629-Y1653 PolarHBondContact OD2-N 3.27Å |
| 1630 | G | 79.7 | Confident | 83.2 | Confident | 18 Ų | 18 | 72 Ų | 72 | 19% | 0.186 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 9.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | C1628 C1658 | C1628-G1630 PolarHBondContact O-N 3.08Å; C1628-G1630 VanDerWaalsContact O-N 3.14Å; G1630-C1658 WeakPolarHBondContact O-CB 3.12Å; G1630-C1658 PolarHBondContact O-SG 2.78Å; G1630-C1658 VanDerWaalsContact O-SG 3.33Å |
| 1631 | G | 77.8 | Confident | 84.8 | Confident | 60 Ų | 60 | 65.8 Ų | 65.8 | 62% | 0.619 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | 33.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | D1629 | D1629-G1631 PolarHBondContact O-N 2.96Š|
| 1632 | C | 87.6 | Confident | 86.2 | Confident | 39 Ų | 39 | 60.6 Ų | 60.6 | 26% | 0.264 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | -9.2 | 160 | 71.8 | 0 | 0 | 0 | 0 | 113.5 | E1634 C1658 | C1632-E1634 HydrophobicContact CB-CG 4.15Å; C1632-E1634 PolarHBondContact O-N 3.38Å; C1632-C1658 VanDerWaalsContact CB-SG 3.57Å |
| 1633 | D | 86 | Confident | 87.3 | Confident | 110 Ų | 110 | 52.9 Ų | 52.9 | 59% | 0.588 | 31% | 0.307 | S | S | * | . | trans | 57.6 | 4.4 | 175.2 | -50.5 | -3.1 | 0 | 0 | 0 | 115.3 | Q1627 C1628 | Q1627-D1633 WeakPolarHBondContact CG-O 3.3Å; Q1627-D1633 PolarHBondContact NE2-O 3.14Å; C1628-D1633 PolarHBondContact O-N 3.34Å | ||
| 1634 | E | 89.1 | Confident | 87.7 | Confident | 101 Ų | 101 | 51.3 Ų | 51.3 | 47% | 0.472 | 30% | 0.298 | S | S | . | . | trans | -62.7 | 148.1 | 176.5 | -64.5 | -67.1 | 174.7 | 0 | 0 | 112.4 | A1611 C1628 C1632 F1636 | A1611-E1634 HydrophobicContact CB-CB 3.84Å; A1611-E1634 HydrophobicContact CB-CG 4.27Å; C1628-E1634 PolarHBondContact N-O 2.85Å; C1632-E1634 HydrophobicContact CB-CG 4.15Å; C1632-E1634 PolarHBondContact O-N 3.38Å; E1634-F1636 HydrophobicContact CB-CE2 3.65Å; E1634-F1636 HydrophobicContact CB-CZ 3.92Å; E1634-F1636 WeakPolarHBondContact O-CD2 3.45Å; E1634-F1636 WeakPolarHBondContact O-CE2 3.33Å | ||
| 1635 | W | 91.9 | Very high | 87.5 | Confident | 122 Ų | 122 | 50.6 Ų | 50.6 | 46% | 0.462 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 139.5 | -178.1 | -75.1 | 81.9 | 0 | 0 | 0 | 112.2 | C1610 A1611 W1625 Q1627 | C1610-W1635 WeakPolarHBondContact CA-O 3.22Å; A1611-W1635 PolarHBondContact N-O 3.07Å; W1625-W1635 HydrophobicContact CB-CE3 3.93Å; W1625-W1635 HydrophobicContact CB-CZ3 4Å; W1625-W1635 HydrophobicContact CE3-CB 3.88Å; W1625-W1635 HydrophobicContact CE3-CE3 4.28Å; W1625-W1635 HydrophobicContact CZ3-CB 3.86Å; Q1627-W1635 HydrophobicContact CB-CD2 4.06Å; Q1627-W1635 HydrophobicContact CB-CE3 4.19Å; Q1627-W1635 HydrophobicContact CB-CH2 4.19Å; Q1627-W1635 HydrophobicContact CB-CZ2 4.04Å; Q1627-W1635 HydrophobicContact CB-CZ3 4.26Å; Q1627-W1635 HydrophobicContact CG-CD2 4.15Å; Q1627-W1635 HydrophobicContact CG-CG 4.41Å; Q1627-W1635 HydrophobicContact CG-CZ2 4.14Å |
| 1636 | F | 92 | Very high | 86.9 | Confident | 13 Ų | 13 | 52.8 Ų | 52.8 | 6% | 0.057 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 141.7 | -176.8 | -56.1 | -99.5 | 0 | 0 | 0 | 109.8 | A1611 A1612 W1625 V1626 C1628 E1634 V1641 Y1653 C1655 | A1611-F1636 VanDerWaalsContact C-CE1 3.48Å; A1611-F1636 HydrophobicContact CB-CD1 4.17Å; A1611-F1636 HydrophobicContact CB-CE1 3.72Å; A1611-F1636 HydrophobicContact CB-CE2 4.38Å; A1611-F1636 HydrophobicContact CB-CZ 3.83Å; A1612-F1636 HydrophobicContact CB-CD1 4.02Å; W1625-F1636 CarbonylContact C-O 3.4Å; W1625-F1636 WeakPolarHBondContact CA-O 3.37Å; V1626-F1636 HydrophobicContact CG1-CB 4.17Å; V1626-F1636 PolarHBondContact N-O 3.4Å; V1626-F1636 PolarHBondContact O-N 3.02Å; C1628-F1636 HydrophobicContact CB-CD2 4.46Å; C1628-F1636 HydrophobicContact CB-CE2 3.75Å; E1634-F1636 HydrophobicContact CB-CE2 3.65Å; E1634-F1636 HydrophobicContact CB-CZ 3.92Å; E1634-F1636 WeakPolarHBondContact O-CD2 3.45Å; E1634-F1636 WeakPolarHBondContact O-CE2 3.33Å; F1636-V1641 HydrophobicContact CB-CG1 3.67Å; F1636-V1641 HydrophobicContact CB-CG2 4.05Å; F1636-V1641 HydrophobicContact CD1-CG1 3.5Å; F1636-V1641 HydrophobicContact CE1-CG1 4.38Å; F1636-V1641 HydrophobicContact CG-CG1 3.77Å; F1636-Y1653 AromaticContact CD2-CE1 3.82Å; F1636-Y1653 HydrophobicContact CD2-CE1 3.82Å; F1636-Y1653 HydrophobicContact CE2-CE1 4.14Å; F1636-Y1653 HydrophobicContact CG-CE1 4.27Å; F1636-C1655 HydrophobicContact CE1-CB 4.37Å; F1636-C1655 HydrophobicContact CE2-CB 3.99Å; F1636-C1655 HydrophobicContact CZ-CB 3.69Å |
| 1637 | H | 91.9 | Very high | 86.4 | Confident | 17 Ų | 17 | 55.4 Ų | 55.4 | 8% | 0.079 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 136.3 | 164.7 | -41.4 | 134.3 | 0 | 0 | 0 | 108.6 | C1610 C1615 P1618 V1623 D1624 W1625 V1639 C1640 V1641 | C1610-H1637 WeakPolarHBondContact CB-CE1 3.4Å; C1610-H1637 WeakPolarHBondContact CB-ND1 3.43Å; C1610-H1637 WeakPolarHBondContact CB-NE2 3.37Å; C1610-H1637 PolarHBondContact SG-N 3.42Å; C1615-H1637 VanDerWaalsContact SG-CE1 3.51Å; P1618-H1637 VanDerWaalsContact CD-ND1 3.35Å; P1618-H1637 WeakPolarHBondContact CD-ND1 3.27Å; P1618-H1637 HydrophobicContact CG-CB 4.26Å; V1623-H1637 HydrophobicContact CG1-CB 4.2Å; V1623-H1637 WeakPolarHBondContact CG1-CD2 3.49Å; D1624-H1637 CarbonylContact O-C 3.41Å; D1624-H1637 VanDerWaalsContact O-CA 3.31Å; D1624-H1637 WeakPolarHBondContact O-CA 3.28Å; W1625-H1637 AromaticContact CD2-CD2 3.92Å; W1625-H1637 AromaticContact CE2-CD2 3.62Å; W1625-H1637 AromaticContact CE3-CD2 3.93Å; W1625-H1637 AromaticContact CH2-CD2 3.39Å; W1625-H1637 WeakPolarHBondContact CH2-CD2 3.46Å; W1625-H1637 AromaticContact CH2-NE2 3.35Å; W1625-H1637 VanDerWaalsContact CH2-NE2 3.35Å; W1625-H1637 WeakPolarHBondContact CH2-NE2 3.05Å; W1625-H1637 AromaticContact CZ2-CD2 3.34Å; W1625-H1637 WeakPolarHBondContact CZ2-CD2 3.29Å; W1625-H1637 AromaticContact CZ2-NE2 3.36Å; W1625-H1637 WeakPolarHBondContact CZ2-NE2 3.32Å; W1625-H1637 AromaticContact CZ3-CD2 3.7Å; H1637-V1639 VanDerWaalsContact C-N 3.27Å; H1637-V1639 PolarHBondContact O-N 3.35Å; H1637-C1640 HydrophobicContact CB-CB 4.06Å; H1637-C1640 PolarHBondContact ND1-SG 2.8Å; H1637-C1640 WeakPolarHBondContact O-CA 3.33Å; H1637-C1640 WeakPolarHBondContact O-CB 3.36Å; H1637-C1640 PolarHBondContact O-N 3.39Å; H1637-V1641 PolarHBondContact O-N 2.68Å |
| 1638 | Q | 89.1 | Confident | 85.8 | Confident | 18 Ų | 18 | 54 Ų | 54 | 8% | 0.084 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -53.3 | -45.4 | -179.9 | -68 | -177.3 | 16.3 | 0 | 0 | 111.6 | D1624 W1625 V1626 C1640 V1641 G1642 V1643 | D1624-Q1638 HydrophobicContact CB-CB 4.3Å; D1624-Q1638 HydrophobicContact CB-CG 4.1Å; D1624-Q1638 PolarHBondContact O-N 3.21Å; W1625-Q1638 PolarHBondContact O-NE2 3.46Å; V1626-Q1638 HydrophobicContact CB-CG 4.05Å; V1626-Q1638 HydrophobicContact CG1-CG 4.13Å; Q1638-C1640 PolarHBondContact O-N 2.63Å; Q1638-V1641 PolarHBondContact O-N 3.21Å; Q1638-V1641 VanDerWaalsContact O-N 3.09Å; Q1638-G1642 PolarHBondContact O-N 3.2Å; Q1638-V1643 HydrophobicContact CB-CB 4.3Å; Q1638-V1643 HydrophobicContact CB-CG1 4.49Å; Q1638-V1643 HydrophobicContact CG-CB 4.45Å; Q1638-V1643 HydrophobicContact CG-CG1 4.19Å; Q1638-V1643 PolarHBondContact O-N 3.28Å |
| 1639 | V | 86.6 | Confident | 85.1 | Confident | 87 Ų | 87 | 61.8 Ų | 61.8 | 53% | 0.527 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.2 | -21 | 175.4 | -176 | 0 | 0 | 0 | 0 | 113.9 | Q1616 H1637 | Q1616-V1639 PolarHBondContact NE2-O 3.07Å; H1637-V1639 VanDerWaalsContact C-N 3.27Å; H1637-V1639 PolarHBondContact O-N 3.35Å |
| 1640 | C | 89.2 | Confident | 84.7 | Confident | 19 Ų | 19 | 63.4 Ų | 63.4 | 13% | 0.128 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -89.1 | -14.5 | 177.8 | -64.4 | 0 | 0 | 0 | 0 | 113.5 | A1612 Q1616 H1637 Q1638 | A1612-C1640 HydrophobicContact CB-CB 3.77Å; Q1616-C1640 PolarHBondContact N-SG 2.9Å; H1637-C1640 HydrophobicContact CB-CB 4.06Å; H1637-C1640 PolarHBondContact ND1-SG 2.8Å; H1637-C1640 WeakPolarHBondContact O-CA 3.33Å; H1637-C1640 WeakPolarHBondContact O-CB 3.36Å; H1637-C1640 PolarHBondContact O-N 3.39Å; Q1638-C1640 PolarHBondContact O-N 2.63Å |
| 1641 | V | 88.8 | Confident | 84.7 | Confident | 41 Ų | 41 | 68.6 Ų | 68.6 | 25% | 0.248 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -120.5 | -3.5 | 178.7 | -67.9 | 0 | 0 | 0 | 0 | 114.3 | A1612 V1626 F1636 H1637 Q1638 V1643 Y1653 | A1612-V1641 HydrophobicContact CB-CG1 4.37Å; V1626-V1641 HydrophobicContact CG1-CG2 3.69Å; F1636-V1641 HydrophobicContact CB-CG1 3.67Å; F1636-V1641 HydrophobicContact CB-CG2 4.05Å; F1636-V1641 HydrophobicContact CD1-CG1 3.5Å; F1636-V1641 HydrophobicContact CE1-CG1 4.38Å; F1636-V1641 HydrophobicContact CG-CG1 3.77Å; H1637-V1641 PolarHBondContact O-N 2.68Å; Q1638-V1641 PolarHBondContact O-N 3.21Å; Q1638-V1641 VanDerWaalsContact O-N 3.09Å; V1641-V1643 HydrophobicContact CG2-CB 4.28Å; V1641-V1643 HydrophobicContact CG2-CG2 3.84Å; V1641-Y1653 HydrophobicContact CB-CE2 4.13Å; V1641-Y1653 WeakPolarHBondContact CB-OH 3.23Å; V1641-Y1653 VanDerWaalsContact CG1-OH 3.26Å; V1641-Y1653 WeakPolarHBondContact CG1-OH 3.33Å; V1641-Y1653 HydrophobicContact CG2-CE1 4.41Å; V1641-Y1653 HydrophobicContact CG2-CE2 4.08Å |
| 1642 | G | 85.2 | Confident | 85.1 | Confident | 65 Ų | 65 | 72.4 Ų | 72.4 | 67% | 0.67 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.8 | 11.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q1638 | Q1638-G1642 PolarHBondContact O-N 3.2Š|
| 1643 | V | 86.4 | Confident | 85.1 | Confident | 18 Ų | 18 | 72.2 Ų | 72.2 | 11% | 0.109 | 39% | 0.388 | C | S | . | . | trans | -76 | 136.2 | 173.6 | 172 | 0 | 0 | 0 | 0 | 108.6 | V1626 Q1638 V1641 M1647 A1648 Y1653 | V1626-V1643 HydrophobicContact CG1-CG2 4.38Å; Q1638-V1643 HydrophobicContact CB-CB 4.3Å; Q1638-V1643 HydrophobicContact CB-CG1 4.49Å; Q1638-V1643 HydrophobicContact CG-CB 4.45Å; Q1638-V1643 HydrophobicContact CG-CG1 4.19Å; Q1638-V1643 PolarHBondContact O-N 3.28Å; V1641-V1643 HydrophobicContact CG2-CB 4.28Å; V1641-V1643 HydrophobicContact CG2-CG2 3.84Å; V1643-M1647 HydrophobicContact CG1-CB 4.07Å; V1643-A1648 HydrophobicContact CG1-CB 3.83Å; V1643-Y1653 HydrophobicContact CG2-CD2 3.53Å; V1643-Y1653 HydrophobicContact CG2-CE2 3.81Å; V1643-Y1653 HydrophobicContact CG2-CG 4.33Å | ||
| 1644 | S | 83.3 | Confident | 85.2 | Confident | 17 Ų | 17 | 70.4 Ų | 70.4 | 12% | 0.119 | 38% | 0.378 | C | S | . | . | trans | -93.4 | 161.4 | 164.8 | 72.1 | 0 | 0 | 0 | 0 | 110.3 | E1646 M1647 A1648 | S1644-E1646 WeakPolarHBondContact CB-OE2 3.37Å; S1644-E1646 PolarHBondContact O-N 3.31Å; S1644-E1646 WeakPolarHBondContact OG-CB 3.47Å; S1644-E1646 PolarHBondContact OG-OE2 3.49Å; S1644-M1647 WeakPolarHBondContact O-CB 3.47Å; S1644-M1647 PolarHBondContact O-N 2.75Å; S1644-M1647 PolarHBondContact OG-N 2.92Å; S1644-A1648 PolarHBondContact O-N 3.19Å | ||
| 1645 | P | 80 | Confident | 85.3 | Confident | 73 Ų | 73 | 65.8 Ų | 65.8 | 47% | 0.474 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -53.7 | -37.3 | 173.3 | -28 | 36.2 | 0 | 0 | 0 | 112.3 | M1647 A1648 E1649 | P1645-M1647 VanDerWaalsContact C-N 3.29Å; P1645-M1647 PolarHBondContact O-N 3.03Å; P1645-A1648 PolarHBondContact O-N 3.11Å; P1645-E1649 WeakPolarHBondContact O-CG 3.32Å; P1645-E1649 PolarHBondContact O-N 3.39Å |
| 1646 | E | 78 | Confident | 84.9 | Confident | 106 Ų | 106 | 65.5 Ų | 65.5 | 50% | 0.495 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.2 | -38 | 175.7 | -46.5 | 148.7 | 135.6 | 0 | 0 | 112.1 | R809 S1644 N1650 | R809-E1646 IonicContact CZ-OE2 2.71Å; R809-E1646 IonicContact NH1-OE1 2.7Å; R809-E1646 IonicContact NH1-OE2 4Å; R809-E1646 PolarHBondContact NH1-OE2 3.06Å; R809-E1646 IonicContact NH2-OE2 3.86Å; R809-E1646 PolarHBondContact NH2-OE2 3.35Å; S1644-E1646 WeakPolarHBondContact CB-OE2 3.37Å; S1644-E1646 PolarHBondContact O-N 3.31Å; S1644-E1646 WeakPolarHBondContact OG-CB 3.47Å; S1644-E1646 PolarHBondContact OG-OE2 3.49Å; E1646-N1650 PolarHBondContact O-ND2 3.24Å |
| 1647 | M | 80.2 | Confident | 84.4 | Confident | 71 Ų | 71 | 69.2 Ų | 69.2 | 35% | 0.35 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -76 | -42.4 | 176.6 | -66 | 174.7 | 71.1 | 0 | 0 | 111 | V1643 S1644 P1645 E1649 N1650 E1651 | V1643-M1647 HydrophobicContact CG1-CB 4.07Å; S1644-M1647 WeakPolarHBondContact O-CB 3.47Å; S1644-M1647 PolarHBondContact O-N 2.75Å; S1644-M1647 PolarHBondContact OG-N 2.92Å; P1645-M1647 VanDerWaalsContact C-N 3.29Å; P1645-M1647 PolarHBondContact O-N 3.03Å; M1647-E1649 PolarHBondContact O-N 2.88Å; M1647-N1650 PolarHBondContact O-N 3.26Å; M1647-E1651 PolarHBondContact O-N 2.81Å |
| 1648 | A | 80.3 | Confident | 84.2 | Confident | 41 Ų | 41 | 68.5 Ų | 68.5 | 34% | 0.339 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63 | -21.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V1643 S1644 P1645 | V1643-A1648 HydrophobicContact CG1-CB 3.83Å; S1644-A1648 PolarHBondContact O-N 3.19Å; P1645-A1648 PolarHBondContact O-N 3.11Å |
| 1649 | E | 77.6 | Confident | 84 | Confident | 166 Ų | 166 | 70.3 Ų | 70.3 | 78% | 0.776 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -14 | 173.9 | -72.3 | -175.1 | 164.3 | 0 | 0 | 114.3 | P1645 M1647 | P1645-E1649 WeakPolarHBondContact O-CG 3.32Å; P1645-E1649 PolarHBondContact O-N 3.39Å; M1647-E1649 PolarHBondContact O-N 2.88Å |
| 1650 | N | 78.1 | Confident | 83.6 | Confident | 130 Ų | 130 | 74.1 Ų | 74.1 | 70% | 0.695 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.5 | -15.8 | -168.7 | -68.3 | -81.9 | 0 | 0 | 0 | 116 | E1646 M1647 | E1646-N1650 PolarHBondContact O-ND2 3.24Å; M1647-N1650 PolarHBondContact O-N 3.26Å |
| 1651 | E | 80.6 | Confident | 82.8 | Confident | 126 Ų | 126 | 81 Ų | 81 | 59% | 0.589 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -136.1 | 133.1 | -174.6 | -61.5 | -176.5 | 165.6 | 0 | 0 | 112.1 | M1647 Y1653 | M1647-E1651 PolarHBondContact O-N 2.81Å; E1651-Y1653 PolarHBondContact O-N 3.39Å |
| 1652 | D | 84.9 | Confident | 81.3 | Confident | 140 Ų | 140 | 84.7 Ų | 84.7 | 75% | 0.749 | 45% | 0.45 | S | S | * | . | trans | -63.2 | 129 | 174.8 | -61.1 | -25.6 | 0 | 0 | 0 | 110.8 | D1629 | D1629-D1652 HydrophobicContact CB-CB 4.23Š| ||
| 1653 | Y | 88.7 | Confident | 79.4 | Confident | 36 Ų | 36 | 84.5 Ų | 84.5 | 14% | 0.141 | 45% | 0.448 | C | S | . | . | trans | -91 | 114.6 | -174.8 | 176.5 | -106.4 | 0 | 0 | 0 | 112.4 | V1626 Q1627 C1628 D1629 F1636 V1641 V1643 E1651 C1655 | V1626-Y1653 HydrophobicContact CG1-CD1 4.15Å; V1626-Y1653 HydrophobicContact CG1-CE1 4.48Å; V1626-Y1653 HydrophobicContact CG1-CG 4.38Å; V1626-Y1653 HydrophobicContact CG2-CD1 3.98Å; V1626-Y1653 HydrophobicContact CG2-CG 3.79Å; Q1627-Y1653 WeakPolarHBondContact O-CD1 3.2Å; C1628-Y1653 CarbonylContact C-O 3.56Å; C1628-Y1653 VanDerWaalsContact CA-O 3.3Å; C1628-Y1653 WeakPolarHBondContact CA-O 3.34Å; C1628-Y1653 HydrophobicContact CB-CD1 4.28Å; C1628-Y1653 HydrophobicContact CB-CE1 4.34Å; D1629-Y1653 PolarHBondContact N-O 3.42Å; D1629-Y1653 PolarHBondContact OD2-N 3.27Å; F1636-Y1653 AromaticContact CD2-CE1 3.82Å; F1636-Y1653 HydrophobicContact CD2-CE1 3.82Å; F1636-Y1653 HydrophobicContact CE2-CE1 4.14Å; F1636-Y1653 HydrophobicContact CG-CE1 4.27Å; V1641-Y1653 HydrophobicContact CB-CE2 4.13Å; V1641-Y1653 WeakPolarHBondContact CB-OH 3.23Å; V1641-Y1653 VanDerWaalsContact CG1-OH 3.26Å; V1641-Y1653 WeakPolarHBondContact CG1-OH 3.33Å; V1641-Y1653 HydrophobicContact CG2-CE1 4.41Å; V1641-Y1653 HydrophobicContact CG2-CE2 4.08Å; V1643-Y1653 HydrophobicContact CG2-CD2 3.53Å; V1643-Y1653 HydrophobicContact CG2-CE2 3.81Å; V1643-Y1653 HydrophobicContact CG2-CG 4.33Å; E1651-Y1653 PolarHBondContact O-N 3.39Å; Y1653-C1655 HydrophobicContact CE1-CB 3.87Å | ||
| 1654 | I | 88.2 | Confident | 77.1 | Confident | 71 Ų | 71 | 90 Ų | 90 | 36% | 0.364 | 48% | 0.484 | S | S | . | . | trans | -109.1 | 111.4 | 176.6 | -57.7 | -178.7 | 0 | 0 | 0 | 110.3 | C1658 A1659 | I1654-C1658 HydrophobicContact CG2-CB 3.89Å; I1654-A1659 HydrophobicContact CG2-CB 4.02Å | ||
| 1655 | C | 90.2 | Very high | 75.2 | Confident | 4 Ų | 4 | 96.4 Ų | 96.4 | 3% | 0.027 | 52% | 0.517 | C | S | . | . | trans | -68.5 | 157.1 | 178.3 | 89.7 | 0 | 0 | 0 | 0 | 112.4 | C1628 F1636 Y1653 N1657 C1658 A1659 | C1628-C1655 HydrophobicContact CB-CB 4.07Å; C1628-C1655 PolarHBondContact SG-N 3.02Å; C1628-C1655 VanDerWaalsContact SG-SG 3.62Å; F1636-C1655 HydrophobicContact CE1-CB 4.37Å; F1636-C1655 HydrophobicContact CE2-CB 3.99Å; F1636-C1655 HydrophobicContact CZ-CB 3.69Å; Y1653-C1655 HydrophobicContact CE1-CB 3.87Å; C1655-N1657 PolarHBondContact O-N 3.3Å; C1655-C1658 PolarHBondContact O-N 3.29Å; C1655-A1659 PolarHBondContact O-N 2.88Å | ||
| 1656 | I | 82.8 | Confident | 73 | Confident | 116 Ų | 116 | 98.8 Ų | 98.8 | 60% | 0.595 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -54.2 | -31.7 | -176.5 | -65.4 | 173.3 | 0 | 0 | 0 | 112.9 | K1660 | I1656-K1660 HydrophobicContact CG2-CD 4.13Å; I1656-K1660 WeakPolarHBondContact O-CB 3.14Å; I1656-K1660 VanDerWaalsContact O-CG 3.27Å; I1656-K1660 WeakPolarHBondContact O-CG 3.45Å; I1656-K1660 PolarHBondContact O-N 3.13Å |
| 1657 | N | 82.2 | Confident | 71.1 | Confident | 91 Ų | 91 | 99.9 Ų | 99.9 | 49% | 0.487 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -76.6 | -24.4 | 179.2 | -68.6 | -25.1 | 0 | 0 | 0 | 113.2 | C1655 K1661 | C1655-N1657 PolarHBondContact O-N 3.3Å; N1657-K1661 WeakPolarHBondContact O-CD 3.48Å; N1657-K1661 WeakPolarHBondContact O-CG 3.39Å |
| 1658 | C | 87.7 | Confident | 68.8 | Low | 2 Ų | 2 | 99.9 Ų | 99.9 | 1% | 0.014 | 57% | 0.57 | C | S | . | * | H | α-helix | trans | -88.6 | -40.9 | 175.2 | -68.7 | 0 | 0 | 0 | 0 | 111.3 | G1630 C1632 I1654 C1655 K1660 K1661 Q1662 | G1630-C1658 WeakPolarHBondContact O-CB 3.12Å; G1630-C1658 PolarHBondContact O-SG 2.78Å; G1630-C1658 VanDerWaalsContact O-SG 3.33Å; C1632-C1658 VanDerWaalsContact CB-SG 3.57Å; I1654-C1658 HydrophobicContact CG2-CB 3.89Å; C1655-C1658 PolarHBondContact O-N 3.29Å; C1658-K1660 PolarHBondContact O-N 3.24Å; C1658-K1661 PolarHBondContact O-N 2.95Å; C1658-Q1662 PolarHBondContact O-N 2.6Å |
| 1659 | A | 84.2 | Confident | 66.6 | Low | 57 Ų | 57 | 107.4 Ų | 107.4 | 47% | 0.471 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -55.9 | -35 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1654 C1655 | I1654-A1659 HydrophobicContact CG2-CB 4.02Å; C1655-A1659 PolarHBondContact O-N 2.88Å |
| 1660 | K | 78.2 | Confident | 64.5 | Low | 166 Ų | 166 | 103.3 Ų | 103.3 | 72% | 0.722 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -9.2 | 174 | -74 | 175.2 | 179.8 | 175.7 | 0 | 115.3 | I1656 C1658 | I1656-K1660 HydrophobicContact CG2-CD 4.13Å; I1656-K1660 WeakPolarHBondContact O-CB 3.14Å; I1656-K1660 VanDerWaalsContact O-CG 3.27Å; I1656-K1660 WeakPolarHBondContact O-CG 3.45Å; I1656-K1660 PolarHBondContact O-N 3.13Å; C1658-K1660 PolarHBondContact O-N 3.24Å |
| 1661 | K | 72.8 | Confident | 62.3 | Low | 163 Ų | 163 | 102.7 Ų | 102.7 | 71% | 0.709 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | -21.9 | 177.6 | -79.2 | 174.6 | -179.9 | 177.4 | 0 | 113 | N1657 C1658 G1663 | N1657-K1661 WeakPolarHBondContact O-CD 3.48Å; N1657-K1661 WeakPolarHBondContact O-CG 3.39Å; C1658-K1661 PolarHBondContact O-N 2.95Å; K1661-G1663 PolarHBondContact O-N 2.74Å |
| 1662 | Q | 58.2 | Low | 60.1 | Low | 120 Ų | 120 | 102.2 Ų | 102.2 | 56% | 0.561 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -76 | 114.5 | 172.9 | -66 | -177.1 | 1.9 | 0 | 0 | 109.1 | C1658 | C1658-Q1662 PolarHBondContact O-N 2.6Š|
| 1663 | G | 44.4 | Very low | 57.6 | Low | 60 Ų | 60 | 100.6 Ų | 100.6 | 62% | 0.619 | 60% | 0.6 | S | S | * | * | trans | -76.8 | 160.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | K1661 D1665 | K1661-G1663 PolarHBondContact O-N 2.74Å; G1663-D1665 VanDerWaalsContact C-N 3.32Å; G1663-D1665 PolarHBondContact O-N 3.18Å | ||
| 1664 | P | 38.8 | Very low | 54.9 | Low | 134 Ų | 134 | 105.1 Ų | 105.1 | 87% | 0.87 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -82.9 | 62.7 | -169.7 | 35.8 | -38.1 | 0 | 0 | 0 | 113.7 | ||
| 1665 | D | 43.5 | Very low | 52.1 | Low | 152 Ų | 152 | 109.4 Ų | 109.4 | 81% | 0.813 | 65% | 0.65 | S | S | * | * | trans | -138.1 | 59.9 | -178 | -91.8 | -51.6 | 0 | 0 | 0 | 113.9 | G1663 | G1663-D1665 VanDerWaalsContact C-N 3.32Å; G1663-D1665 PolarHBondContact O-N 3.18Å | ||
| 1666 | S | 34.4 | Very low | 49.2 | Very low | 123 Ų | 123 | 115 Ų | 115 | 86% | 0.86 | 68% | 0.678 | S | S | * | * | trans | -170.1 | 148.5 | 146.6 | -86.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1667 | P | 37.1 | Very low | 46.7 | Very low | 128 Ų | 128 | 118.7 Ų | 118.7 | 83% | 0.831 | 70% | 0.695 | S | S | * | * | trans | -105.3 | 144.7 | -168.2 | 37.8 | -32.4 | 0 | 0 | 0 | 115.1 | ||||
| 1668 | G | 32 | Very low | 44.3 | Very low | 71 Ų | 71 | 118.5 Ų | 118.5 | 73% | 0.732 | 70% | 0.701 | S | S | * | * | trans | 104.9 | 81.2 | 144.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1669 | H | 33.2 | Very low | 41.7 | Very low | 199 Ų | 199 | 128.4 Ų | 128.4 | 92% | 0.921 | 74% | 0.74 | S | S | * | * | -137.7 | 142.5 | 130 | -119.5 | -93.3 | 0 | 0 | 0 | 109.5 | |||||
| 1670 | A | 34.3 | Very low | 39.3 | Very low | 80 Ų | 80 | 134.4 Ų | 134.4 | 66% | 0.661 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 151.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 1671 | P | 32.1 | Very low | 37.3 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 132.1 | 173.5 | 26.9 | -34.3 | 0 | 0 | 0 | 110.7 | ||
| 1672 | P | 35.1 | Very low | 35.5 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 146.3 | 168.9 | -22.9 | 34.3 | 0 | 0 | 0 | 111.3 | ||
| 1673 | P | 32.6 | Very low | 34.1 | Very low | 106 Ų | 106 | 132.3 Ų | 132.3 | 69% | 0.688 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 140.6 | -172.6 | 29.4 | -35.1 | 0 | 0 | 0 | 112.2 | F1675 | P1673-F1675 PolarHBondContact O-N 2.74Š|
| 1674 | P | 32 | Very low | 33.3 | Very low | 130 Ų | 130 | 137.7 Ų | 137.7 | 84% | 0.844 | 77% | 0.774 | S | S | * | * | trans | -79.2 | 51.1 | 172.7 | 35.7 | -36.9 | 0 | 0 | 0 | 111.1 | ||||
| 1675 | F | 28.6 | Very low | 32.9 | Very low | 161 Ų | 161 | 139.1 Ų | 139.1 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | -139.7 | 99 | -172.4 | -127 | -100.3 | 0 | 0 | 0 | 113.2 | P1673 | P1673-F1675 PolarHBondContact O-N 2.74Š| ||
| 1676 | I | 29.9 | Very low | 32.4 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 62% | 0.621 | 78% | 0.777 | S | S | * | * | 44.1 | 101.1 | 129.9 | -61.3 | 157.5 | 0 | 0 | 0 | 115.4 | |||||
| 1677 | M | 28.4 | Very low | 32.4 | Very low | 194 Ų | 194 | 143 Ų | 143 | 96% | 0.956 | 78% | 0.776 | S | S | * | * | trans | -61 | 144.6 | 161.6 | -69.3 | -175.3 | 80.2 | 0 | 0 | 110.4 | ||||
| 1678 | S | 33.3 | Very low | 32.4 | Very low | 87 Ų | 87 | 145 Ų | 145 | 61% | 0.608 | 77% | 0.774 | S | S | * | * | trans | -148.1 | 122.5 | -174.8 | -111.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1679 | Y | 33.2 | Very low | 32.8 | Very low | 210 Ų | 210 | 148.7 Ų | 148.7 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | 83.9 | 133.4 | 147.3 | -77.4 | -66.7 | 0 | 0 | 0 | 123.7 | ||||
| 1680 | K | 32.7 | Very low | 32.8 | Very low | 183 Ų | 183 | 148 Ų | 148 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | trans | 80.6 | 139.5 | 159.3 | -62.9 | 177.1 | -179.9 | -177.4 | 0 | 117 | ||||
| 1681 | L | 36.7 | Very low | 32.7 | Very low | 151 Ų | 151 | 151.5 Ų | 151.5 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | cis | -163.2 | 178.4 | -6.6 | -102.6 | 164.5 | 0 | 0 | 0 | 106.3 | ||||
| 1682 | P | 34.8 | Very low | 32.8 | Very low | 103 Ų | 103 | 153.2 Ų | 153.2 | 67% | 0.669 | 81% | 0.81 | S | S | * | * | cis | -134 | -157.7 | 12.2 | 38.2 | -15 | 0 | 0 | 0 | 114.6 | ||||
| 1683 | M | 28.2 | Very low | 32.6 | Very low | 152 Ų | 152 | 155.3 Ų | 155.3 | 75% | 0.749 | 81% | 0.813 | S | S | * | * | trans | 67.5 | 104.1 | 173.4 | -50.9 | -66.7 | -80 | 0 | 0 | 114.4 | ||||
| 1684 | E | 29 | Very low | 32.6 | Very low | 172 Ų | 172 | 158.2 Ų | 158.2 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | 68.3 | 82.9 | 67 | -63.5 | -161.3 | 140.4 | 0 | 0 | 114 | |||||
| 1685 | D | 30.7 | Very low | 32.7 | Very low | 165 Ų | 165 | 159.9 Ų | 159.9 | 88% | 0.882 | 82% | 0.819 | S | S | * | * | trans | -138.4 | 102.2 | 141.6 | -130 | -21.9 | 0 | 0 | 0 | 107.1 | ||||
| 1686 | L | 33.1 | Very low | 32.9 | Very low | 162 Ų | 162 | 159.9 Ų | 159.9 | 85% | 0.848 | 83% | 0.826 | S | S | * | * | trans | -151.6 | 74.4 | -175.3 | -137.5 | 178.5 | 0 | 0 | 0 | 112.7 | ||||
| 1687 | K | 33 | Very low | 33.1 | Very low | 195 Ų | 195 | 162.6 Ų | 162.6 | 85% | 0.848 | 84% | 0.841 | S | S | * | * | trans | -162.5 | 141.7 | 158.4 | -97.6 | 134.9 | -174 | 173.6 | 0 | 106.4 | ||||
| 1688 | E | 37.3 | Very low | 33.5 | Very low | 170 Ų | 170 | 160.2 Ų | 160.2 | 79% | 0.794 | 83% | 0.832 | S | S | * | * | S | Bend | cis | -132.2 | 133.5 | 18.4 | -60.1 | 178.9 | 124.7 | 0 | 0 | 112.4 | ||
| 1689 | T | 40.9 | Very low | 33.5 | Very low | 147 Ų | 147 | 166.3 Ų | 166.3 | 90% | 0.902 | 85% | 0.851 | S | S | * | * | trans | 62.3 | 137.4 | 167.7 | 66.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1690 | S | 32.9 | Very low | 33.6 | Very low | 186 Ų | 186 | 162.4 Ų | 162.4 | 100% | 1.301 | 85% | 0.853 | S | S | * | * | cis | -136.2 | 0 | 3.7 | -178.3 | 0 | 0 | 0 | 0 | 111.6 |
Retrieved 1,690 of 1,690 residues in 1416.2 ms
(Link to these results)