| 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 | 37.8 | Very low | 35.3 | Very low | 232 Ų | 232 | 149.8 Ų | 149.8 | 100% | 1.143 | 83% | 0.828 | S | S | * | * | 0 | 100 | 0 | -78.6 | 169.4 | 73.4 | 0 | 0 | 109 | |||||
| 2 | C | 37.8 | Very low | 35.3 | Very low | 140 Ų | 140 | 149.7 Ų | 149.7 | 95% | 0.946 | 82% | 0.822 | S | S | * | * | trans | -145.9 | 89.3 | 156.9 | -88 | 0 | 0 | 0 | 0 | 105 | ||||
| 3 | L | 32.7 | Very low | 35.3 | Very low | 145 Ų | 145 | 142.2 Ų | 142.2 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | trans | -86.8 | 152.2 | 174.7 | -114 | 98.7 | 0 | 0 | 0 | 108.7 | ||||
| 4 | L | 34.4 | Very low | 35.5 | Very low | 158 Ų | 158 | 139.9 Ų | 139.9 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | 75.8 | 106.3 | 149.8 | -68.5 | 151.4 | 0 | 0 | 0 | 118.1 | ||||
| 5 | A | 38 | Very low | 35.4 | Very low | 84 Ų | 84 | 147.6 Ų | 147.6 | 69% | 0.694 | 80% | 0.803 | S | S | * | * | -175.8 | 87.2 | 101.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | L7 | A5-L7 VanDerWaalsContact C-N 3.33Å; A5-L7 PolarHBondContact O-N 3.1Å; A5-L7 VanDerWaalsContact O-N 3.1Å | |||
| 6 | F | 36.8 | Very low | 35.9 | Very low | 210 Ų | 210 | 147.6 Ų | 147.6 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -74.4 | 92.2 | 160.6 | -99 | -91.7 | 0 | 0 | 0 | 107.6 | C8 | F6-C8 VanDerWaalsContact C-N 3.33Å; F6-C8 PolarHBondContact O-N 2.93Å | ||
| 7 | L | 35.5 | Very low | 36.3 | Very low | 148 Ų | 148 | 144.4 Ų | 144.4 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | trans | -67.6 | 97.3 | 161.9 | -105.1 | 118 | 0 | 0 | 0 | 107.2 | A5 T9 | A5-L7 VanDerWaalsContact C-N 3.33Å; A5-L7 PolarHBondContact O-N 3.1Å; A5-L7 VanDerWaalsContact O-N 3.1Å; L7-T9 PolarHBondContact O-N 2.64Å | ||
| 8 | C | 31.7 | Very low | 37.7 | Very low | 108 Ų | 108 | 143.1 Ų | 143.1 | 73% | 0.73 | 77% | 0.766 | S | S | * | * | trans | -63.3 | 91 | 160.1 | -78.7 | 0 | 0 | 0 | 0 | 107.8 | F6 L10 | F6-C8 VanDerWaalsContact C-N 3.33Å; F6-C8 PolarHBondContact O-N 2.93Å; C8-L10 PolarHBondContact O-N 2.9Å | ||
| 9 | T | 35.1 | Very low | 39.5 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 69% | 0.687 | 75% | 0.753 | S | S | * | * | trans | -64.3 | 92.3 | 154.8 | 33.5 | 0 | 0 | 0 | 0 | 106.9 | L7 L11 | L7-T9 PolarHBondContact O-N 2.64Å; T9-L11 PolarHBondContact O-N 2.77Å | ||
| 10 | L | 31.2 | Very low | 42 | Very low | 155 Ų | 155 | 134.3 Ų | 134.3 | 81% | 0.812 | 73% | 0.728 | S | S | * | * | trans | -57.5 | 82.9 | 154 | -87.8 | 147.5 | 0 | 0 | 0 | 106.9 | C8 I12 | C8-L10 PolarHBondContact O-N 2.9Å; L10-I12 PolarHBondContact O-N 2.72Å | ||
| 11 | L | 36.8 | Very low | 44.4 | Very low | 156 Ų | 156 | 128.4 Ų | 128.4 | 82% | 0.817 | 70% | 0.696 | S | S | * | * | trans | -61.5 | 91.8 | 156.2 | -82.3 | 156.8 | 0 | 0 | 0 | 104.7 | T9 G13 | T9-L11 PolarHBondContact O-N 2.77Å; L11-G13 PolarHBondContact O-N 2.89Å | ||
| 12 | I | 35.2 | Very low | 47.1 | Very low | 148 Ų | 148 | 119.2 Ų | 119.2 | 76% | 0.759 | 65% | 0.654 | S | S | * | * | trans | -53.4 | 99.3 | 158.8 | -63.8 | 165.5 | 0 | 0 | 0 | 103.6 | L10 T14 | L10-I12 PolarHBondContact O-N 2.72Å; I12-T14 VanDerWaalsContact C-N 3.29Å; I12-T14 PolarHBondContact O-N 3.1Å | ||
| 13 | G | 36.3 | Very low | 49.8 | Very low | 52 Ų | 52 | 112.6 Ų | 112.6 | 54% | 0.536 | 61% | 0.609 | S | S | . | * | trans | -54 | 104.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 105.4 | L11 W15 | L11-G13 PolarHBondContact O-N 2.89Å; G13-W15 VanDerWaalsContact C-N 3.27Å; G13-W15 PolarHBondContact O-N 2.87Å | ||
| 14 | T | 37.2 | Very low | 52.7 | Low | 111 Ų | 111 | 109.9 Ų | 109.9 | 68% | 0.681 | 59% | 0.592 | S | S | * | * | trans | -55.5 | 106.7 | 164.3 | 47.7 | 0 | 0 | 0 | 0 | 103.9 | I12 R16 | I12-T14 VanDerWaalsContact C-N 3.29Å; I12-T14 PolarHBondContact O-N 3.1Å; T14-R16 PolarHBondContact O-N 2.87Å | ||
| 15 | W | 35.1 | Very low | 55.5 | Low | 255 Ų | 255 | 104.2 Ų | 104.2 | 97% | 0.966 | 56% | 0.562 | S | S | * | * | trans | -53.6 | 93.9 | 164.3 | -74 | 70.4 | 0 | 0 | 0 | 104.8 | G13 S17 | G13-W15 VanDerWaalsContact C-N 3.27Å; G13-W15 PolarHBondContact O-N 2.87Å; W15-S17 PolarHBondContact O-N 2.85Å | ||
| 16 | R | 42.7 | Very low | 58.2 | Low | 147 Ų | 147 | 100.5 Ų | 100.5 | 56% | 0.555 | 53% | 0.53 | S | S | * | . | trans | -65.9 | 98.4 | 168.6 | -78.4 | -172.5 | 177.4 | -158.5 | -1.9 | 102.9 | T14 F18 | T14-R16 PolarHBondContact O-N 2.87Å; R16-F18 PolarHBondContact O-N 2.93Å | ||
| 17 | S | 42.8 | Very low | 60.9 | Low | 94 Ų | 94 | 90.9 Ų | 90.9 | 66% | 0.657 | 49% | 0.487 | S | S | * | . | trans | -48.9 | 132.2 | 169.8 | 53.5 | 0 | 0 | 0 | 0 | 107.5 | W15 A19 | W15-S17 PolarHBondContact O-N 2.85Å; S17-A19 PolarHBondContact O-N 3.1Å | ||
| 18 | F | 61.4 | Low | 63.5 | Low | 120 Ų | 120 | 84.1 Ų | 84.1 | 53% | 0.526 | 45% | 0.454 | S | S | . | . | trans | -66.4 | 43.5 | 166 | -70.2 | -92.9 | 0 | 0 | 0 | 110.6 | R16 L20 L400 P402 | R16-F18 PolarHBondContact O-N 2.93Å; F18-L20 PolarHBondContact O-N 3.06Å; F18-L400 HydrophobicContact CD1-CB 4.36Å; F18-L400 HydrophobicContact CE1-CB 4.1Å; F18-P402 HydrophobicContact CE2-CB 4.47Å | ||
| 19 | A | 72.5 | Confident | 66 | Low | 62 Ų | 62 | 86.6 Ų | 86.6 | 51% | 0.512 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 135.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | S17 I21 | S17-A19 PolarHBondContact O-N 3.1Å; A19-I21 PolarHBondContact O-N 2.93Å |
| 20 | L | 88.7 | Confident | 68.2 | Low | 49 Ų | 49 | 82.7 Ų | 82.7 | 26% | 0.257 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 133.9 | 176 | -166.9 | 69 | 0 | 0 | 0 | 109.7 | F18 P22 S439 R440 M646 E647 | F18-L20 PolarHBondContact O-N 3.06Å; L20-P22 WeakPolarHBondContact O-CD 3.29Å; L20-S439 WeakPolarHBondContact CD1-O 3.38Å; L20-R440 HydrophobicContact CD1-CG 4.11Å; L20-M646 VanDerWaalsContact CD2-C 3.48Å; L20-E647 VanDerWaalsContact CD2-CA 3.47Å; L20-E647 HydrophobicContact CD2-CB 3.53Å; L20-E647 HydrophobicContact CD2-CG 4.21Å |
| 21 | I | 93.6 | Very high | 70.5 | Confident | 10 Ų | 10 | 82.1 Ų | 82.1 | 5% | 0.051 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -77 | 124.4 | 177.6 | -54.3 | 176.2 | 0 | 0 | 0 | 107.5 | A19 E25 F26 L371 H374 L376 R440 | A19-I21 PolarHBondContact O-N 2.93Å; I21-E25 HydrophobicContact CG2-CB 3.89Å; I21-E25 HydrophobicContact CG2-CG 4.14Å; I21-F26 HydrophobicContact CB-CE2 3.63Å; I21-F26 HydrophobicContact CB-CZ 3.84Å; I21-F26 HydrophobicContact CD1-CZ 3.89Å; I21-F26 HydrophobicContact CG1-CZ 4.46Å; I21-F26 HydrophobicContact CG2-CD2 4.25Å; I21-F26 HydrophobicContact CG2-CE2 3.4Å; I21-F26 HydrophobicContact CG2-CZ 3.59Å; I21-L371 HydrophobicContact CG2-CD2 4.13Å; I21-H374 HydrophobicContact CD1-CB 3.66Å; I21-H374 HydrophobicContact CG1-CB 3.91Å; I21-H374 HydrophobicContact CG2-CB 4.5Å; I21-L376 HydrophobicContact CD1-CD2 3.86Å; I21-R440 PolarHBondContact O-NH1 3.34Å; I21-R440 PolarHBondContact O-NH2 2.88Å |
| 22 | P | 93.9 | Very high | 72.8 | Confident | 40 Ų | 40 | 76.1 Ų | 76.1 | 26% | 0.26 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 145.4 | -178.2 | -25.6 | 33.8 | 0 | 0 | 0 | 113.2 | L20 E24 E25 E647 | L20-P22 WeakPolarHBondContact O-CD 3.29Å; P22-E24 PolarHBondContact O-N 3.28Å; P22-E25 HydrophobicContact CB-CG 4.21Å; P22-E25 HydrophobicContact CG-CG 4.3Å; P22-E25 WeakPolarHBondContact O-CB 3.43Å; P22-E25 PolarHBondContact O-N 2.96Å; P22-E25 VanDerWaalsContact O-N 3.12Å; P22-E647 WeakPolarHBondContact CA-OE2 3.4Å |
| 23 | R | 94.7 | Very high | 75.3 | Confident | 1 Ų | 1 | 72.4 Ų | 72.4 | 0% | 0.004 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -52.2 | -39.1 | 175.4 | -93.3 | 172.1 | -58.4 | -53.6 | -5.1 | 112.6 | E25 F26 F27 F436 V628 A632 E635 E647 P648 E652 | R23-E25 PolarHBondContact O-N 3.37Å; R23-F26 PolarHBondContact O-N 3.36Å; R23-F27 PolarHBondContact O-N 2.7Å; R23-F436 HydrophobicContact CG-CE2 3.46Å; R23-F436 VanDerWaalsContact CG-CE2 3.46Å; R23-F436 HydrophobicContact CG-CZ 3.93Å; R23-V628 HydrophobicContact CB-CG1 4.14Å; R23-A632 VanDerWaalsContact CD-CA 3.49Å; R23-E635 IonicContact CZ-OE2 2.65Å; R23-E635 IonicContact NE-OE2 3.31Å; R23-E635 IonicContact NH1-OE1 3.55Å; R23-E635 IonicContact NH1-OE2 3.24Å; R23-E635 PolarHBondContact NH1-OE2 3.35Å; R23-E647 IonicContact CZ-OE2 2.63Å; R23-E647 VanDerWaalsContact CZ-OE2 3.24Å; R23-E647 PolarHBondContact N-OE2 2.92Å; R23-E647 VanDerWaalsContact NH1-CD 3.31Å; R23-E647 IonicContact NH1-OE2 3.64Å; R23-E647 PolarHBondContact NH1-OE2 2.63Å; R23-E647 IonicContact NH2-OE1 2.69Å; R23-E647 IonicContact NH2-OE2 3.57Å; R23-E647 PolarHBondContact NH2-OE2 2.65Å; R23-P648 PolarHBondContact NH2-O 3.23Å; R23-E652 IonicContact CZ-OE1 2.67Å; R23-E652 IonicContact NE-OE1 2.83Å; R23-E652 IonicContact NH2-OE1 3.82Å; R23-E652 PolarHBondContact NH2-OE1 3.29Å |
| 24 | E | 92.8 | Very high | 77.8 | Confident | 87 Ų | 87 | 71.9 Ų | 71.9 | 41% | 0.407 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.7 | -31.6 | -177.7 | -72.7 | 69.9 | -156.9 | 0 | 0 | 112.5 | P22 F26 G28 | P22-E24 PolarHBondContact O-N 3.28Å; E24-F26 VanDerWaalsContact C-N 3.33Å; E24-F26 PolarHBondContact O-N 3.31Å; E24-G28 WeakPolarHBondContact O-CA 3.48Å; E24-G28 PolarHBondContact O-N 2.97Å |
| 25 | E | 93.3 | Very high | 80.5 | Confident | 40 Ų | 40 | 67.3 Ų | 67.3 | 19% | 0.187 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 179.9 | -68.5 | -64.5 | 162.4 | 0 | 0 | 111.5 | I21 P22 R23 K368 S370 L371 | I21-E25 HydrophobicContact CG2-CB 3.89Å; I21-E25 HydrophobicContact CG2-CG 4.14Å; P22-E25 HydrophobicContact CB-CG 4.21Å; P22-E25 HydrophobicContact CG-CG 4.3Å; P22-E25 WeakPolarHBondContact O-CB 3.43Å; P22-E25 PolarHBondContact O-N 2.96Å; P22-E25 VanDerWaalsContact O-N 3.12Å; R23-E25 PolarHBondContact O-N 3.37Å; E25-K368 PolarHBondContact O-NZ 3.49Å; E25-S370 WeakPolarHBondContact OE2-CB 3.29Å; E25-S370 PolarHBondContact OE2-OG 2.69Å; E25-L371 HydrophobicContact CB-CD2 3.69Å; E25-L371 HydrophobicContact CB-CG 4.32Å |
| 26 | F | 94.5 | Very high | 83.4 | Confident | 6 Ų | 6 | 58.8 Ų | 58.8 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -78.6 | -57.8 | 177.2 | -58.4 | -75.9 | 0 | 0 | 0 | 111.4 | I21 R23 E24 K368 L371 L376 Q435 F436 | I21-F26 HydrophobicContact CB-CE2 3.63Å; I21-F26 HydrophobicContact CB-CZ 3.84Å; I21-F26 HydrophobicContact CD1-CZ 3.89Å; I21-F26 HydrophobicContact CG1-CZ 4.46Å; I21-F26 HydrophobicContact CG2-CD2 4.25Å; I21-F26 HydrophobicContact CG2-CE2 3.4Å; I21-F26 HydrophobicContact CG2-CZ 3.59Å; R23-F26 PolarHBondContact O-N 3.36Å; E24-F26 VanDerWaalsContact C-N 3.33Å; E24-F26 PolarHBondContact O-N 3.31Å; F26-K368 PolarHBondContact O-NZ 2.97Å; F26-L371 HydrophobicContact CD1-CD2 4.44Å; F26-L371 HydrophobicContact CE1-CD2 4.17Å; F26-L376 HydrophobicContact CE1-CD2 4.2Å; F26-L376 HydrophobicContact CZ-CD2 4.48Å; F26-Q435 HydrophobicContact CD1-CB 4.28Å; F26-Q435 HydrophobicContact CE1-CB 3.67Å; F26-Q435 HydrophobicContact CZ-CB 4.49Å; F26-F436 HydrophobicContact CD1-CB 4.46Å; F26-F436 HydrophobicContact CD2-CB 4.18Å; F26-F436 AromaticContact CD2-CD2 3.76Å; F26-F436 HydrophobicContact CD2-CD2 3.76Å; F26-F436 HydrophobicContact CD2-CG 4.49Å; F26-F436 HydrophobicContact CE2-CB 4.4Å; F26-F436 HydrophobicContact CE2-CD2 4.1Å; F26-F436 HydrophobicContact CG-CB 4.19Å; F26-F436 HydrophobicContact CG-CD2 4.43Å |
| 27 | F | 94 | Very high | 85.9 | Confident | 7 Ų | 7 | 52.3 Ų | 52.3 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -107.1 | -11.7 | -162.7 | -54.7 | -59 | 0 | 0 | 0 | 114.8 | R23 P432 V433 F436 R627 V628 F631 | R23-F27 PolarHBondContact O-N 2.7Å; F27-P432 HydrophobicContact CE1-CB 4.1Å; F27-V433 HydrophobicContact CE1-CG2 4.14Å; F27-V433 HydrophobicContact CZ-CG2 4.41Å; F27-F436 HydrophobicContact CD2-CD2 4.4Å; F27-F436 HydrophobicContact CE2-CB 3.81Å; F27-F436 AromaticContact CE2-CD1 3.87Å; F27-F436 HydrophobicContact CE2-CD1 3.87Å; F27-F436 AromaticContact CE2-CD2 3.53Å; F27-F436 HydrophobicContact CE2-CD2 3.53Å; F27-F436 HydrophobicContact CE2-CE1 4.29Å; F27-F436 AromaticContact CE2-CE2 3.94Å; F27-F436 HydrophobicContact CE2-CE2 3.94Å; F27-F436 AromaticContact CE2-CG 3.46Å; F27-F436 HydrophobicContact CE2-CG 3.46Å; F27-F436 VanDerWaalsContact CE2-CG 3.46Å; F27-F436 HydrophobicContact CE2-CZ 4.31Å; F27-F436 HydrophobicContact CZ-CB 3.66Å; F27-F436 HydrophobicContact CZ-CD1 4.12Å; F27-F436 HydrophobicContact CZ-CD2 4.27Å; F27-F436 AromaticContact CZ-CG 3.78Å; F27-F436 HydrophobicContact CZ-CG 3.78Å; F27-R627 HydrophobicContact CB-CB 3.88Å; F27-R627 PolarHBondContact O-NE 2.82Å; F27-R627 PolarHBondContact O-NH2 3.25Å; F27-V628 HydrophobicContact CB-CG2 4.01Å; F27-F631 AromaticContact CD1-CD2 3.75Å; F27-F631 HydrophobicContact CD1-CD2 3.75Å; F27-F631 AromaticContact CD1-CE2 3.74Å; F27-F631 HydrophobicContact CD1-CE2 3.74Å; F27-F631 HydrophobicContact CD2-CB 3.76Å; F27-F631 AromaticContact CD2-CD2 3.51Å; F27-F631 HydrophobicContact CD2-CD2 3.51Å; F27-F631 HydrophobicContact CD2-CE2 4.3Å; F27-F631 AromaticContact CD2-CG 3.72Å; F27-F631 HydrophobicContact CD2-CG 3.72Å; F27-F631 AromaticContact CE1-CD2 3.66Å; F27-F631 HydrophobicContact CE1-CD2 3.66Å; F27-F631 HydrophobicContact CE1-CE1 4.42Å; F27-F631 AromaticContact CE1-CE2 3.41Å; F27-F631 HydrophobicContact CE1-CE2 3.41Å; F27-F631 VanDerWaalsContact CE1-CE2 3.41Å; F27-F631 HydrophobicContact CE1-CG 4.29Å; F27-F631 AromaticContact CE1-CZ 3.84Å; F27-F631 HydrophobicContact CE1-CZ 3.84Å; F27-F631 HydrophobicContact CE2-CB 3.61Å; F27-F631 AromaticContact CE2-CD1 3.77Å; F27-F631 HydrophobicContact CE2-CD1 3.77Å; F27-F631 AromaticContact CE2-CD2 3.39Å; F27-F631 HydrophobicContact CE2-CD2 3.39Å; F27-F631 HydrophobicContact CE2-CE1 4.31Å; F27-F631 AromaticContact CE2-CE2 3.98Å; F27-F631 HydrophobicContact CE2-CE2 3.98Å; F27-F631 AromaticContact CE2-CG 3.29Å; F27-F631 HydrophobicContact CE2-CG 3.29Å; F27-F631 HydrophobicContact CE2-CZ 4.41Å; F27-F631 AromaticContact CG-CD2 3.68Å; F27-F631 HydrophobicContact CG-CD2 3.68Å; F27-F631 HydrophobicContact CG-CE2 4.18Å; F27-F631 HydrophobicContact CG-CG 4.35Å; F27-F631 HydrophobicContact CZ-CB 4.43Å; F27-F631 AromaticContact CZ-CD1 3.79Å; F27-F631 HydrophobicContact CZ-CD1 3.79Å; F27-F631 AromaticContact CZ-CD2 3.47Å; F27-F631 HydrophobicContact CZ-CD2 3.47Å; F27-F631 VanDerWaalsContact CZ-CD2 3.47Å; F27-F631 AromaticContact CZ-CE1 3.84Å; F27-F631 HydrophobicContact CZ-CE1 3.84Å; F27-F631 AromaticContact CZ-CE2 3.54Å; F27-F631 HydrophobicContact CZ-CE2 3.54Å; F27-F631 AromaticContact CZ-CG 3.62Å; F27-F631 HydrophobicContact CZ-CG 3.62Å; F27-F631 AromaticContact CZ-CZ 3.73Å; F27-F631 HydrophobicContact CZ-CZ 3.73Å |
| 28 | G | 90 | Very high | 88.4 | Confident | 7 Ų | 7 | 48 Ų | 48 | 7% | 0.072 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -65.1 | -177.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | E24 S30 | E24-G28 WeakPolarHBondContact O-CA 3.48Å; E24-G28 PolarHBondContact O-N 2.97Å; G28-S30 PolarHBondContact O-N 3.01Å |
| 29 | R | 83.6 | Confident | 89.9 | Confident | 160 Ų | 160 | 42.5 Ų | 42.5 | 60% | 0.604 | 21% | 0.211 | S | C | * | . | trans | -66.8 | 133.3 | -177.4 | -66 | -179 | -180 | 177.9 | 1.4 | 110.1 | P624 | R29-P624 HydrophobicContact CG-CB 3.83Å; R29-P624 HydrophobicContact CG-CG 4Å | ||
| 30 | S | 81.7 | Confident | 91 | Very high | 30 Ų | 30 | 41.8 Ų | 41.8 | 21% | 0.21 | 20% | 0.196 | C | C | . | . | trans | -76.5 | 146.7 | 166.9 | -59.1 | 0 | 0 | 0 | 0 | 109 | G28 I32 Y33 | G28-S30 PolarHBondContact O-N 3.01Å; S30-I32 VanDerWaalsContact C-N 3.26Å; S30-Y33 PolarHBondContact N-OH 3.46Å; S30-Y33 WeakPolarHBondContact O-CE2 3.48Å; S30-Y33 VanDerWaalsContact O-CZ 3.26Å; S30-Y33 PolarHBondContact O-OH 3.37Å | ||
| 31 | E | 78.8 | Confident | 91.4 | Very high | 143 Ų | 143 | 39.4 Ų | 39.4 | 67% | 0.668 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -78.5 | -18.5 | 174 | -62.4 | -168.1 | 153.4 | 0 | 0 | 112.8 | S48 | E31-S48 WeakPolarHBondContact O-CA 3.48Å; E31-S48 PolarHBondContact O-OG 2.84Å; E31-S48 VanDerWaalsContact O-OG 3.1Å |
| 32 | I | 86.1 | Confident | 91.5 | Very high | 30 Ų | 30 | 44.1 Ų | 44.1 | 15% | 0.154 | 20% | 0.201 | C | C | . | . | trans | -130.2 | 123.9 | -171.4 | -58.9 | -178.9 | 0 | 0 | 0 | 108.1 | S30 L35 Y46 L365 | S30-I32 VanDerWaalsContact C-N 3.26Å; I32-L35 HydrophobicContact CG2-CB 4.4Å; I32-L35 HydrophobicContact CG2-CD1 4.4Å; I32-Y46 HydrophobicContact CB-CD2 4.26Å; I32-Y46 HydrophobicContact CG1-CD2 4.01Å; I32-Y46 HydrophobicContact CG1-CE2 4.11Å; I32-Y46 HydrophobicContact CG2-CD2 3.87Å; I32-Y46 HydrophobicContact CG2-CG 3.79Å; I32-L365 HydrophobicContact CD1-CD1 4.03Å; I32-L365 HydrophobicContact CD1-CD2 3.93Å; I32-L365 HydrophobicContact CD1-CG 4.4Å | ||
| 33 | Y | 87.4 | Confident | 91.5 | Very high | 70 Ų | 70 | 44.8 Ų | 44.8 | 28% | 0.275 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 154 | 175.8 | -62.4 | -86 | 0 | 0 | 0 | 110.2 | S30 L35 L47 V49 | S30-Y33 PolarHBondContact N-OH 3.46Å; S30-Y33 WeakPolarHBondContact O-CE2 3.48Å; S30-Y33 VanDerWaalsContact O-CZ 3.26Å; S30-Y33 PolarHBondContact O-OH 3.37Å; Y33-L35 VanDerWaalsContact C-N 3.3Å; Y33-L35 PolarHBondContact O-N 3.4Å; Y33-L47 PolarHBondContact N-O 2.79Å; Y33-L47 PolarHBondContact O-N 2.93Å; Y33-V49 HydrophobicContact CD2-CG2 3.95Å; Y33-V49 HydrophobicContact CE2-CB 4.36Å; Y33-V49 HydrophobicContact CE2-CG2 3.86Å |
| 34 | L | 89.5 | Confident | 91.5 | Very high | 40 Ų | 40 | 44.8 Ų | 44.8 | 21% | 0.209 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 47.6 | 51.2 | 174.6 | -57.1 | -178.4 | 0 | 0 | 0 | 112.8 | R36 L47 V77 | L34-R36 PolarHBondContact O-N 2.73Å; L34-L47 HydrophobicContact CD1-CD1 3.85Å; L34-V77 HydrophobicContact CD1-CG1 3.86Å |
| 35 | L | 93.9 | Very high | 91.6 | Very high | 16 Ų | 16 | 40.6 Ų | 40.6 | 8% | 0.084 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 127 | 174.7 | -179.1 | 155.3 | 0 | 0 | 0 | 109.3 | I32 Y33 L44 S45 L337 Y349 L365 | I32-L35 HydrophobicContact CG2-CB 4.4Å; I32-L35 HydrophobicContact CG2-CD1 4.4Å; Y33-L35 VanDerWaalsContact C-N 3.3Å; Y33-L35 PolarHBondContact O-N 3.4Å; L35-L44 HydrophobicContact CD1-CD1 4.22Å; L35-L44 HydrophobicContact CD1-CD2 4.22Å; L35-L44 HydrophobicContact CD2-CD1 3.61Å; L35-L44 HydrophobicContact CG-CD1 3.82Å; L35-L44 HydrophobicContact CG-CG 4.3Å; L35-S45 CarbonylContact C-O 3.51Å; L35-S45 VanDerWaalsContact CA-O 3.31Å; L35-S45 WeakPolarHBondContact CA-O 3.49Å; L35-L337 HydrophobicContact CD2-CD2 4.32Å; L35-Y349 HydrophobicContact CD1-CD2 3.79Å; L35-Y349 HydrophobicContact CD1-CE2 3.78Å; L35-Y349 HydrophobicContact CD1-CG 4.21Å; L35-Y349 HydrophobicContact CD2-CD1 4.15Å; L35-Y349 HydrophobicContact CD2-CE1 3.67Å; L35-Y349 HydrophobicContact CD2-CE2 4.16Å; L35-L365 HydrophobicContact CD1-CD1 4.05Å; L35-L365 HydrophobicContact CD1-CD2 3.9Å; L35-L365 HydrophobicContact CD1-CG 4.43Å |
| 36 | R | 95.1 | Very high | 91.6 | Very high | 75 Ų | 75 | 39.8 Ų | 39.8 | 28% | 0.283 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 158.5 | -179.1 | -59.8 | -66.6 | 179 | -103.4 | 6.6 | 110 | L34 L44 S45 D79 C80 | L34-R36 PolarHBondContact O-N 2.73Å; R36-L44 CarbonylContact O-C 3.59Å; R36-L44 WeakPolarHBondContact O-CA 3.12Å; R36-S45 PolarHBondContact N-O 2.92Å; R36-S45 PolarHBondContact O-N 2.93Å; R36-S45 PolarHBondContact O-OG 3.04Å; R36-D79 IonicContact CZ-OD1 3.74Å; R36-D79 IonicContact NE-OD1 2.82Å; R36-D79 IonicContact NH2-OD1 3.79Å; R36-D79 PolarHBondContact NH2-OD1 2.92Å; R36-C80 WeakPolarHBondContact CD-O 3.43Å; R36-C80 WeakPolarHBondContact CG-O 3.43Å; R36-C80 PolarHBondContact NE-O 2.86Å |
| 37 | V | 95.9 | Very high | 91.5 | Very high | 11 Ų | 11 | 39.8 Ų | 39.8 | 7% | 0.067 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 148 | 173.8 | 75.7 | 0 | 0 | 0 | 0 | 109.9 | V41 R43 L44 L61 W82 R328 L337 | V37-V41 HydrophobicContact CG2-CB 4.39Å; V37-V41 HydrophobicContact CG2-CG1 4.11Å; V37-R43 VanDerWaalsContact CA-O 3.29Å; V37-R43 WeakPolarHBondContact CA-O 3.35Å; V37-R43 VanDerWaalsContact CG2-O 3.24Å; V37-R43 WeakPolarHBondContact CG2-O 3.33Å; V37-L44 HydrophobicContact CB-CD1 4.34Å; V37-L61 HydrophobicContact CG2-CD1 4.29Å; V37-W82 VanDerWaalsContact C-CD1 3.49Å; V37-R328 HydrophobicContact CG1-CB 3.93Å; V37-R328 HydrophobicContact CG1-CG 4.25Å; V37-L337 HydrophobicContact CB-CD2 3.98Å; V37-L337 HydrophobicContact CG1-CB 4.37Å; V37-L337 HydrophobicContact CG1-CD2 3.78Å |
| 38 | D | 95.2 | Very high | 91.2 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | trans | -69.2 | 169 | 175 | 77.6 | -51.2 | 0 | 0 | 0 | 112.4 | Q40 V41 R42 R43 W82 | D38-Q40 PolarHBondContact O-N 3.28Å; D38-Q40 VanDerWaalsContact O-N 3.13Å; D38-Q40 PolarHBondContact OD2-N 3.34Å; D38-V41 PolarHBondContact O-N 3.43Å; D38-V41 PolarHBondContact OD1-N 2.72Å; D38-R42 PolarHBondContact OD1-N 3.43Å; D38-R43 HydrophobicContact CB-CB 4.47Å; D38-R43 PolarHBondContact N-O 2.8Å; D38-R43 VanDerWaalsContact N-O 3.14Å; D38-R43 PolarHBondContact OD1-N 2.82Å; D38-W82 HydrophobicContact CB-CB 4.44Å; D38-W82 HydrophobicContact CB-CD2 4.01Å; D38-W82 HydrophobicContact CB-CE3 4.27Å; D38-W82 HydrophobicContact CB-CG 4.1Å | ||
| 39 | A | 93.6 | Very high | 90.8 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 4% | 0.041 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -27.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S330 | A39-S330 WeakPolarHBondContact O-CA 3.31Š|
| 40 | Q | 95 | Very high | 90.7 | Very high | 46 Ų | 46 | 42.4 Ų | 42.4 | 22% | 0.215 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 2.3 | -178.9 | -58.7 | -59.8 | -32.1 | 0 | 0 | 113.5 | D38 R42 S330 E331 R335 | D38-Q40 PolarHBondContact O-N 3.28Å; D38-Q40 VanDerWaalsContact O-N 3.13Å; D38-Q40 PolarHBondContact OD2-N 3.34Å; Q40-R42 HydrophobicContact CB-CG 3.94Å; Q40-R42 PolarHBondContact O-N 2.94Å; Q40-S330 WeakPolarHBondContact O-CB 3.21Å; Q40-E331 PolarHBondContact NE2-OE1 3.11Å; Q40-E331 PolarHBondContact NE2-OE2 2.77Å; Q40-R335 WeakPolarHBondContact O-CD 3.44Å |
| 41 | V | 96.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | S | Bend | trans | 55.2 | 43 | -177.5 | -165.6 | 0 | 0 | 0 | 0 | 111.3 | V37 D38 L61 R328 R335 L337 L351 | V37-V41 HydrophobicContact CG2-CB 4.39Å; V37-V41 HydrophobicContact CG2-CG1 4.11Å; D38-V41 PolarHBondContact O-N 3.43Å; D38-V41 PolarHBondContact OD1-N 2.72Å; V41-L61 HydrophobicContact CG1-CD1 4.44Å; V41-R328 HydrophobicContact CG2-CB 4.46Å; V41-R328 HydrophobicContact CG2-CG 4.16Å; V41-R335 HydrophobicContact CB-CB 3.87Å; V41-R335 HydrophobicContact CG1-CB 4.24Å; V41-R335 PolarHBondContact O-NH1 2.84Å; V41-L337 HydrophobicContact CG1-CB 4.03Å; V41-L351 HydrophobicContact CG1-CD1 3.68Å |
| 42 | R | 94.9 | Very high | 90.2 | Very high | 109 Ų | 109 | 46.2 Ų | 46.2 | 41% | 0.411 | 22% | 0.218 | S | C | . | . | trans | -108.5 | -28.1 | 179.4 | -70.1 | -179.2 | 178.2 | 176.2 | -0.4 | 112.1 | D38 Q40 E60 L61 | D38-R42 PolarHBondContact OD1-N 3.43Å; Q40-R42 HydrophobicContact CB-CG 3.94Å; Q40-R42 PolarHBondContact O-N 2.94Å; R42-E60 CarbonylContact O-C 3.53Å; R42-E60 WeakPolarHBondContact O-CA 3.39Å; R42-L61 PolarHBondContact O-N 3.39Å | ||
| 43 | R | 95.1 | Very high | 90 | Very high | 54 Ų | 54 | 47 Ų | 47 | 20% | 0.204 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 118.3 | -175.5 | -64.1 | 179.5 | -171.8 | 110.1 | 11 | 110.7 | V37 D38 V58 R59 E60 W82 G86 L109 | V37-R43 VanDerWaalsContact CA-O 3.29Å; V37-R43 WeakPolarHBondContact CA-O 3.35Å; V37-R43 VanDerWaalsContact CG2-O 3.24Å; V37-R43 WeakPolarHBondContact CG2-O 3.33Å; D38-R43 HydrophobicContact CB-CB 4.47Å; D38-R43 PolarHBondContact N-O 2.8Å; D38-R43 VanDerWaalsContact N-O 3.14Å; D38-R43 PolarHBondContact OD1-N 2.82Å; R43-V58 HydrophobicContact CB-CG1 4.23Å; R43-R59 WeakPolarHBondContact CA-O 3.45Å; R43-E60 WeakPolarHBondContact CD-OE1 3.33Å; R43-E60 WeakPolarHBondContact CG-OE1 3.38Å; R43-E60 WeakPolarHBondContact CG-OE2 3.43Å; R43-E60 IonicContact CZ-OE1 2.69Å; R43-E60 IonicContact NE-OE1 3.34Å; R43-E60 PolarHBondContact NE-OE1 2.77Å; R43-E60 IonicContact NE-OE2 3.42Å; R43-E60 IonicContact NH2-OE1 3.83Å; R43-W82 HydrophobicContact CB-CH2 4.28Å; R43-W82 HydrophobicContact CB-CZ2 4.07Å; R43-G86 PolarHBondContact NH1-O 2.89Å; R43-L109 VanDerWaalsContact CZ-CD1 3.48Å |
| 44 | L | 95.1 | Very high | 90 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 129.7 | 170.2 | -170.2 | 77.2 | 0 | 0 | 0 | 108.8 | L35 R36 V37 V58 R59 L61 L337 L365 | L35-L44 HydrophobicContact CD1-CD1 4.22Å; L35-L44 HydrophobicContact CD1-CD2 4.22Å; L35-L44 HydrophobicContact CD2-CD1 3.61Å; L35-L44 HydrophobicContact CG-CD1 3.82Å; L35-L44 HydrophobicContact CG-CG 4.3Å; R36-L44 CarbonylContact O-C 3.59Å; R36-L44 WeakPolarHBondContact O-CA 3.12Å; V37-L44 HydrophobicContact CB-CD1 4.34Å; L44-V58 CarbonylContact O-C 3.54Å; L44-V58 WeakPolarHBondContact O-CA 3.35Å; L44-R59 PolarHBondContact N-O 3.46Å; L44-R59 PolarHBondContact O-N 3.38Å; L44-L61 HydrophobicContact CB-CD1 4.27Å; L44-L61 HydrophobicContact CB-CD2 4.03Å; L44-L61 HydrophobicContact CB-CG 4.3Å; L44-L337 HydrophobicContact CD1-CD1 4.37Å; L44-L337 HydrophobicContact CD1-CD2 4.31Å; L44-L365 HydrophobicContact CD2-CD2 3.88Å |
| 45 | S | 94.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 149.2 | 172.8 | 62.3 | 0 | 0 | 0 | 0 | 111.5 | L35 R36 C57 W82 | L35-S45 CarbonylContact C-O 3.51Å; L35-S45 VanDerWaalsContact CA-O 3.31Å; L35-S45 WeakPolarHBondContact CA-O 3.49Å; R36-S45 PolarHBondContact N-O 2.92Å; R36-S45 PolarHBondContact O-N 2.93Å; R36-S45 PolarHBondContact O-OG 3.04Å; S45-C57 CarbonylContact C-O 3.59Å; S45-C57 WeakPolarHBondContact CA-O 3.37Å; S45-W82 PolarHBondContact OG-NE1 3.1Å |
| 46 | Y | 93.2 | Very high | 90.1 | Very high | 22 Ų | 22 | 45.1 Ų | 45.1 | 9% | 0.086 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 158.6 | 169.5 | 58.7 | -86.1 | 0 | 0 | 0 | 110.4 | I32 C57 | I32-Y46 HydrophobicContact CB-CD2 4.26Å; I32-Y46 HydrophobicContact CG1-CD2 4.01Å; I32-Y46 HydrophobicContact CG1-CE2 4.11Å; I32-Y46 HydrophobicContact CG2-CD2 3.87Å; I32-Y46 HydrophobicContact CG2-CG 3.79Å; Y46-C57 HydrophobicContact CD1-CB 4.24Å; Y46-C57 HydrophobicContact CD2-CB 4.05Å; Y46-C57 HydrophobicContact CE1-CB 3.78Å; Y46-C57 HydrophobicContact CE2-CB 3.58Å; Y46-C57 HydrophobicContact CG-CB 4.36Å; Y46-C57 VanDerWaalsContact CZ-CB 3.43Å; Y46-C57 PolarHBondContact N-O 3.24Å; Y46-C57 PolarHBondContact O-N 2.89Å |
| 47 | L | 91.5 | Very high | 90 | Very high | 7 Ų | 7 | 41.6 Ų | 41.6 | 4% | 0.037 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 132 | 168.3 | -64.1 | -176.6 | 0 | 0 | 0 | 109.9 | Y33 L34 S55 L56 M72 V77 | Y33-L47 PolarHBondContact N-O 2.79Å; Y33-L47 PolarHBondContact O-N 2.93Å; L34-L47 HydrophobicContact CD1-CD1 3.85Å; L47-S55 WeakPolarHBondContact CA-O 3.48Å; L47-L56 HydrophobicContact CD2-CB 4.12Å; L47-L56 HydrophobicContact CD2-CD1 3.97Å; L47-M72 HydrophobicContact CD2-CG 4.14Å; L47-M72 HydrophobicContact CD2-SD 4.48Å; L47-V77 HydrophobicContact CD1-CB 3.62Å; L47-V77 HydrophobicContact CD1-CG1 3.78Å; L47-V77 HydrophobicContact CD1-CG2 4.27Å |
| 48 | S | 88.7 | Confident | 89.9 | Confident | 15 Ų | 15 | 41.2 Ų | 41.2 | 11% | 0.105 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 141.9 | 170.3 | -168.6 | 0 | 0 | 0 | 0 | 110.2 | E31 S55 | E31-S48 WeakPolarHBondContact O-CA 3.48Å; E31-S48 PolarHBondContact O-OG 2.84Å; E31-S48 VanDerWaalsContact O-OG 3.1Å; S48-S55 PolarHBondContact N-O 3.25Å; S48-S55 PolarHBondContact O-N 3.46Å |
| 49 | V | 81.4 | Confident | 89.8 | Confident | 33 Ų | 33 | 42.8 Ų | 42.8 | 20% | 0.2 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 117.4 | 179.1 | -173.3 | 0 | 0 | 0 | 0 | 108.9 | Y33 F54 | Y33-V49 HydrophobicContact CD2-CG2 3.95Å; Y33-V49 HydrophobicContact CE2-CB 4.36Å; Y33-V49 HydrophobicContact CE2-CG2 3.86Å; V49-F54 HydrophobicContact CG1-CE1 4.43Å; V49-F54 HydrophobicContact CG1-CZ 4.43Å; V49-F54 HydrophobicContact CG2-CD1 3.54Å; V49-F54 HydrophobicContact CG2-CE1 3.47Å; V49-F54 VanDerWaalsContact CG2-CE1 3.47Å; V49-F54 HydrophobicContact CG2-CG 4.36Å; V49-F54 HydrophobicContact CG2-CZ 4.25Å |
| 50 | R | 80.5 | Confident | 89.8 | Confident | 180 Ų | 180 | 45.1 Ų | 45.1 | 68% | 0.679 | 22% | 0.219 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 129.3 | 173.6 | -66.2 | -175.1 | 179.5 | -171.4 | -3.2 | 109.5 | S52 T53 | R50-S52 VanDerWaalsContact C-N 3.27Å; R50-S52 PolarHBondContact O-N 3.19Å; R50-T53 PolarHBondContact N-O 2.89Å; R50-T53 VanDerWaalsContact N-O 3.09Å; R50-T53 WeakPolarHBondContact O-CA 3.49Å; R50-T53 VanDerWaalsContact O-CB 3.31Å; R50-T53 WeakPolarHBondContact O-CB 3.23Å; R50-T53 PolarHBondContact O-N 2.99Å |
| 51 | N | 78 | Confident | 89.8 | Confident | 160 Ų | 160 | 43.2 Ų | 43.2 | 86% | 0.856 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.6 | 49.2 | -179.8 | -59.1 | -16.3 | 0 | 0 | 0 | 112.7 | T53 | N51-T53 PolarHBondContact O-N 2.97Š|
| 52 | S | 72.9 | Confident | 89.4 | Confident | 93 Ų | 93 | 44.7 Ų | 44.7 | 65% | 0.65 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 10 | -176.9 | -52.9 | 0 | 0 | 0 | 0 | 115.7 | R50 | R50-S52 VanDerWaalsContact C-N 3.27Å; R50-S52 PolarHBondContact O-N 3.19Å |
| 53 | T | 82.3 | Confident | 88.7 | Confident | 48 Ų | 48 | 46.2 Ų | 46.2 | 29% | 0.294 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 120.1 | 174.9 | -59 | 0 | 0 | 0 | 0 | 110 | R50 N51 R71 | R50-T53 PolarHBondContact N-O 2.89Å; R50-T53 VanDerWaalsContact N-O 3.09Å; R50-T53 WeakPolarHBondContact O-CA 3.49Å; R50-T53 VanDerWaalsContact O-CB 3.31Å; R50-T53 WeakPolarHBondContact O-CB 3.23Å; R50-T53 PolarHBondContact O-N 2.99Å; N51-T53 PolarHBondContact O-N 2.97Å; T53-R71 HydrophobicContact CG2-CG 3.82Å |
| 54 | F | 85.7 | Confident | 87.3 | Confident | 58 Ų | 58 | 49.4 Ų | 49.4 | 25% | 0.254 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 131.6 | 173.4 | -65.8 | -97 | 0 | 0 | 0 | 109.9 | V49 M72 A75 | V49-F54 HydrophobicContact CG1-CE1 4.43Å; V49-F54 HydrophobicContact CG1-CZ 4.43Å; V49-F54 HydrophobicContact CG2-CD1 3.54Å; V49-F54 HydrophobicContact CG2-CE1 3.47Å; V49-F54 VanDerWaalsContact CG2-CE1 3.47Å; V49-F54 HydrophobicContact CG2-CG 4.36Å; V49-F54 HydrophobicContact CG2-CZ 4.25Å; F54-M72 HydrophobicContact CB-CB 4.17Å; F54-M72 HydrophobicContact CB-CG 4.45Å; F54-M72 PolarHBondContact O-N 2.73Å; F54-A75 HydrophobicContact CD2-CB 3.61Å; F54-A75 HydrophobicContact CE2-CB 3.69Å |
| 55 | S | 92 | Very high | 86.3 | Confident | 26 Ų | 26 | 59.3 Ų | 59.3 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 135.1 | 174.6 | -61 | 0 | 0 | 0 | 0 | 110.5 | L47 S48 R70 | L47-S55 WeakPolarHBondContact CA-O 3.48Å; S48-S55 PolarHBondContact N-O 3.25Å; S48-S55 PolarHBondContact O-N 3.46Å; S55-R70 CarbonylContact C-O 3.56Å; S55-R70 VanDerWaalsContact CA-O 3.27Å; S55-R70 WeakPolarHBondContact CA-O 3.24Å |
| 56 | L | 93.8 | Very high | 85.4 | Confident | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 119.3 | 166.7 | 177.5 | 72.9 | 0 | 0 | 0 | 108.4 | L47 V58 C69 R70 M72 M89 M106 V108 L114 | L47-L56 HydrophobicContact CD2-CB 4.12Å; L47-L56 HydrophobicContact CD2-CD1 3.97Å; L56-V58 HydrophobicContact CD2-CG2 4.23Å; L56-V58 HydrophobicContact CG-CG2 4.09Å; L56-C69 CarbonylContact O-C 3.57Å; L56-C69 WeakPolarHBondContact O-CA 3.31Å; L56-R70 PolarHBondContact N-O 3.07Å; L56-R70 PolarHBondContact O-N 3.2Å; L56-M72 HydrophobicContact CB-CG 4.27Å; L56-M72 HydrophobicContact CB-SD 3.72Å; L56-M89 HydrophobicContact CD1-SD 4.17Å; L56-M89 HydrophobicContact CD2-SD 4.3Å; L56-M106 HydrophobicContact CD1-CE 4.37Å; L56-M106 HydrophobicContact CD2-CE 3.46Å; L56-M106 VanDerWaalsContact CD2-CE 3.46Å; L56-M106 HydrophobicContact CD2-SD 4.01Å; L56-M106 HydrophobicContact CG-CE 4.44Å; L56-V108 HydrophobicContact CD2-CG1 3.99Å; L56-V108 HydrophobicContact CD2-CG2 4.36Å; L56-L114 HydrophobicContact CB-CD1 3.89Å; L56-L114 HydrophobicContact CD2-CD1 4.02Å; L56-L114 HydrophobicContact CD2-CD2 4.43Å |
| 57 | C | 93.3 | Very high | 85 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.007 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 133.6 | 173.7 | -60 | 0 | 0 | 0 | 0 | 109.3 | S45 Y46 F68 C69 | S45-C57 CarbonylContact C-O 3.59Å; S45-C57 WeakPolarHBondContact CA-O 3.37Å; Y46-C57 HydrophobicContact CD1-CB 4.24Å; Y46-C57 HydrophobicContact CD2-CB 4.05Å; Y46-C57 HydrophobicContact CE1-CB 3.78Å; Y46-C57 HydrophobicContact CE2-CB 3.58Å; Y46-C57 HydrophobicContact CG-CB 4.36Å; Y46-C57 VanDerWaalsContact CZ-CB 3.43Å; Y46-C57 PolarHBondContact N-O 3.24Å; Y46-C57 PolarHBondContact O-N 2.89Å; C57-F68 CarbonylContact C-O 3.58Å; C57-F68 VanDerWaalsContact CA-O 3.28Å; C57-F68 WeakPolarHBondContact CA-O 3.27Å; C57-C69 HydrophobicContact CB-CB 4.17Å; C57-C69 WeakPolarHBondContact CB-SG 3.36Å; C57-C69 WeakPolarHBondContact SG-CB 3.46Å; C57-C69 CovalentContact SG-SG 2.05Å; C57-C69 PolarHBondContact SG-SG 3.43Å |
| 58 | V | 94 | Very high | 85 | Confident | 2 Ų | 2 | 67.4 Ų | 67.4 | 1% | 0.012 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 134.9 | 177.7 | -175.7 | 0 | 0 | 0 | 0 | 109 | R43 L44 L56 H67 F68 W82 V108 | R43-V58 HydrophobicContact CB-CG1 4.23Å; L44-V58 CarbonylContact O-C 3.54Å; L44-V58 WeakPolarHBondContact O-CA 3.35Å; L56-V58 HydrophobicContact CD2-CG2 4.23Å; L56-V58 HydrophobicContact CG-CG2 4.09Å; V58-H67 WeakPolarHBondContact O-CA 3.47Å; V58-F68 HydrophobicContact CB-CE1 3.89Å; V58-F68 HydrophobicContact CB-CE2 3.88Å; V58-F68 HydrophobicContact CB-CZ 3.54Å; V58-F68 HydrophobicContact CG1-CE1 4.32Å; V58-F68 HydrophobicContact CG1-CZ 4.2Å; V58-F68 HydrophobicContact CG2-CE2 3.81Å; V58-F68 HydrophobicContact CG2-CZ 3.71Å; V58-F68 PolarHBondContact N-O 2.96Å; V58-F68 PolarHBondContact O-N 3.48Å; V58-W82 HydrophobicContact CG1-CH2 4.29Å; V58-W82 HydrophobicContact CG1-CZ2 4.1Å; V58-W82 HydrophobicContact CG2-CZ2 4.47Å; V58-V108 HydrophobicContact CG2-CG1 3.6Å |
| 59 | R | 92.5 | Very high | 85.1 | Confident | 37 Ų | 37 | 69.6 Ų | 69.6 | 14% | 0.14 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 130.6 | -178.8 | -174.8 | -173.7 | -63.2 | 173.1 | 2.4 | 110.1 | R43 L44 S66 H67 L364 | R43-R59 WeakPolarHBondContact CA-O 3.45Å; L44-R59 PolarHBondContact N-O 3.46Å; L44-R59 PolarHBondContact O-N 3.38Å; R59-S66 WeakPolarHBondContact CA-O 3.43Å; R59-H67 HydrophobicContact CG-CB 4.48Å; R59-L364 PolarHBondContact NH1-O 2.78Å |
| 60 | E | 94.3 | Very high | 85.6 | Confident | 55 Ų | 55 | 70 Ų | 70 | 26% | 0.257 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 136.1 | 168.9 | -63.8 | -76 | 167.7 | 0 | 0 | 110.1 | R42 R43 F63 S66 | R42-E60 CarbonylContact O-C 3.53Å; R42-E60 WeakPolarHBondContact O-CA 3.39Å; R43-E60 WeakPolarHBondContact CD-OE1 3.33Å; R43-E60 WeakPolarHBondContact CG-OE1 3.38Å; R43-E60 WeakPolarHBondContact CG-OE2 3.43Å; R43-E60 IonicContact CZ-OE1 2.69Å; R43-E60 IonicContact NE-OE1 3.34Å; R43-E60 PolarHBondContact NE-OE1 2.77Å; R43-E60 IonicContact NE-OE2 3.42Å; R43-E60 IonicContact NH2-OE1 3.83Å; E60-F63 PolarHBondContact O-N 3.12Å; E60-F63 VanDerWaalsContact O-N 3.12Å; E60-F63 VanDerWaalsContact O-O 3.11Å; E60-S66 WeakPolarHBondContact CG-OG 3.24Å; E60-S66 PolarHBondContact N-O 2.84Å |
| 61 | L | 94.9 | Very high | 86.2 | Confident | 5 Ų | 5 | 70.1 Ų | 70.1 | 3% | 0.026 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -101 | 135.9 | -175.3 | -59.6 | -177.9 | 0 | 0 | 0 | 111.2 | V37 V41 R42 L44 R335 L351 L364 | V37-L61 HydrophobicContact CG2-CD1 4.29Å; V41-L61 HydrophobicContact CG1-CD1 4.44Å; R42-L61 PolarHBondContact O-N 3.39Å; L44-L61 HydrophobicContact CB-CD1 4.27Å; L44-L61 HydrophobicContact CB-CD2 4.03Å; L44-L61 HydrophobicContact CB-CG 4.3Å; L61-R335 PolarHBondContact O-NH1 3.32Å; L61-R335 VanDerWaalsContact O-NH1 3.11Å; L61-L351 HydrophobicContact CB-CD2 4.13Å; L61-L351 HydrophobicContact CD1-CD1 4.36Å; L61-L364 HydrophobicContact CD1-CD1 4.33Å; L61-L364 HydrophobicContact CD2-CD1 3.99Å; L61-L364 HydrophobicContact CD2-CD2 3.75Å |
| 62 | P | 88.9 | Confident | 86.7 | Confident | 32 Ų | 32 | 62.9 Ų | 62.9 | 21% | 0.208 | 31% | 0.312 | C | S | . | . | S | Bend | cis | -90.7 | 5.8 | 5.5 | 35.1 | -35.1 | 0 | 0 | 0 | 114.6 | L64 L351 F362 | P62-L64 PolarHBondContact O-N 2.98Å; P62-L351 HydrophobicContact CB-CD2 3.85Å; P62-F362 HydrophobicContact CB-CB 4.19Å; P62-F362 HydrophobicContact CB-CD1 4Å; P62-F362 HydrophobicContact CB-CD2 3.88Å; P62-F362 HydrophobicContact CB-CE1 4.34Å; P62-F362 HydrophobicContact CB-CE2 4.23Å; P62-F362 HydrophobicContact CB-CG 3.75Å; P62-F362 HydrophobicContact CB-CZ 4.45Å; P62-F362 HydrophobicContact CG-CD2 4.45Å; P62-F362 HydrophobicContact CG-CE1 4.45Å; P62-F362 HydrophobicContact CG-CE2 4.31Å; P62-F362 HydrophobicContact CG-CZ 4.31Å |
| 63 | F | 79 | Confident | 87.3 | Confident | 141 Ų | 141 | 62 Ų | 62 | 62% | 0.618 | 30% | 0.304 | S | S | * | . | trans | -75.4 | 109.4 | -163.9 | -54.4 | -71.1 | 0 | 0 | 0 | 113.9 | E60 K65 S66 | E60-F63 PolarHBondContact O-N 3.12Å; E60-F63 VanDerWaalsContact O-N 3.12Å; E60-F63 VanDerWaalsContact O-O 3.11Å; F63-K65 PolarHBondContact O-N 2.82Å; F63-K65 VanDerWaalsContact O-N 3.09Å; F63-S66 PolarHBondContact O-N 3.47Å | ||
| 64 | L | 67.3 | Low | 87.1 | Confident | 121 Ų | 121 | 61.6 Ų | 61.6 | 63% | 0.634 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -31.9 | 178.2 | -67.4 | 172.5 | 0 | 0 | 0 | 114.6 | P62 | P62-L64 PolarHBondContact O-N 2.98Š|
| 65 | K | 72.7 | Confident | 86.7 | Confident | 207 Ų | 207 | 61.2 Ų | 61.2 | 90% | 0.9 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -19.6 | -175.1 | -68 | -174.7 | 178.3 | -179.7 | 0 | 114.3 | F63 H67 | F63-K65 PolarHBondContact O-N 2.82Å; F63-K65 VanDerWaalsContact O-N 3.09Å; K65-H67 PolarHBondContact O-N 3.14Å; K65-H67 VanDerWaalsContact O-N 3.09Å |
| 66 | S | 77.4 | Confident | 86.1 | Confident | 60 Ų | 60 | 61.7 Ų | 61.7 | 42% | 0.42 | 32% | 0.315 | S | S | . | . | trans | -87.4 | 80.3 | -178.5 | -173.2 | 0 | 0 | 0 | 0 | 109.5 | R59 E60 F63 | R59-S66 WeakPolarHBondContact CA-O 3.43Å; E60-S66 WeakPolarHBondContact CG-OG 3.24Å; E60-S66 PolarHBondContact N-O 2.84Å; F63-S66 PolarHBondContact O-N 3.47Å | ||
| 67 | H | 84.2 | Confident | 85.6 | Confident | 79 Ų | 79 | 62.5 Ų | 62.5 | 37% | 0.366 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 134.4 | -172.2 | 161.4 | -94.3 | 0 | 0 | 0 | 110.5 | V58 R59 K65 C69 | V58-H67 WeakPolarHBondContact O-CA 3.47Å; R59-H67 HydrophobicContact CG-CB 4.48Å; K65-H67 PolarHBondContact O-N 3.14Å; K65-H67 VanDerWaalsContact O-N 3.09Å; H67-C69 PolarHBondContact CE1-SG 3.46Å; H67-C69 PolarHBondContact NE2-SG 3.5Å |
| 68 | F | 91 | Very high | 85.2 | Confident | 60 Ų | 60 | 65.1 Ų | 65.1 | 26% | 0.263 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 144 | 166.2 | 66.3 | -100.5 | 0 | 0 | 0 | 110.1 | C57 V58 R70 V108 | C57-F68 CarbonylContact C-O 3.58Å; C57-F68 VanDerWaalsContact CA-O 3.28Å; C57-F68 WeakPolarHBondContact CA-O 3.27Å; V58-F68 HydrophobicContact CB-CE1 3.89Å; V58-F68 HydrophobicContact CB-CE2 3.88Å; V58-F68 HydrophobicContact CB-CZ 3.54Å; V58-F68 HydrophobicContact CG1-CE1 4.32Å; V58-F68 HydrophobicContact CG1-CZ 4.2Å; V58-F68 HydrophobicContact CG2-CE2 3.81Å; V58-F68 HydrophobicContact CG2-CZ 3.71Å; V58-F68 PolarHBondContact N-O 2.96Å; V58-F68 PolarHBondContact O-N 3.48Å; F68-R70 HydrophobicContact CD2-CG 3.93Å; F68-R70 HydrophobicContact CE2-CG 4.46Å; F68-V108 HydrophobicContact CZ-CG1 4.21Å; F68-V108 WeakPolarHBondContact CZ-O 3.45Å |
| 69 | C | 91.1 | Very high | 84.9 | Confident | 62 Ų | 62 | 67.1 Ų | 67.1 | 42% | 0.419 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 128.3 | 163.7 | -66.8 | 0 | 0 | 0 | 0 | 108.6 | L56 C57 H67 | L56-C69 CarbonylContact O-C 3.57Å; L56-C69 WeakPolarHBondContact O-CA 3.31Å; C57-C69 HydrophobicContact CB-CB 4.17Å; C57-C69 WeakPolarHBondContact CB-SG 3.36Å; C57-C69 WeakPolarHBondContact SG-CB 3.46Å; C57-C69 CovalentContact SG-SG 2.05Å; C57-C69 PolarHBondContact SG-SG 3.43Å; H67-C69 PolarHBondContact CE1-SG 3.46Å; H67-C69 PolarHBondContact NE2-SG 3.5Å |
| 70 | R | 92.9 | Very high | 84.9 | Confident | 42 Ų | 42 | 65.5 Ų | 65.5 | 16% | 0.158 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 134.6 | 176.2 | -72.1 | -176.3 | -109.2 | 174.7 | -1.4 | 109.8 | S55 L56 F68 M72 V108 Q110 G112 L114 | S55-R70 CarbonylContact C-O 3.56Å; S55-R70 VanDerWaalsContact CA-O 3.27Å; S55-R70 WeakPolarHBondContact CA-O 3.24Å; L56-R70 PolarHBondContact N-O 3.07Å; L56-R70 PolarHBondContact O-N 3.2Å; F68-R70 HydrophobicContact CD2-CG 3.93Å; F68-R70 HydrophobicContact CE2-CG 4.46Å; R70-M72 PolarHBondContact O-N 3.41Å; R70-V108 PolarHBondContact NH2-O 2.69Å; R70-Q110 PolarHBondContact NH1-O 2.69Å; R70-Q110 PolarHBondContact NH2-O 3.42Å; R70-G112 VanDerWaalsContact CD-O 3.27Å; R70-G112 WeakPolarHBondContact CD-O 3.3Å; R70-G112 PolarHBondContact NH1-O 2.83Å; R70-L114 HydrophobicContact CB-CD1 3.83Å; R70-L114 HydrophobicContact CB-CG 3.82Å |
| 71 | R | 91.6 | Very high | 84.9 | Confident | 182 Ų | 182 | 65.6 Ų | 65.6 | 69% | 0.687 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 130.1 | 177.6 | -178.5 | 173.7 | -179.4 | 179.3 | 3.1 | 109.6 | T53 | T53-R71 HydrophobicContact CG2-CG 3.82Å |
| 72 | M | 89.4 | Confident | 84.9 | Confident | 8 Ų | 8 | 66 Ų | 66 | 4% | 0.039 | 34% | 0.343 | C | S | . | . | trans | -72.5 | 129.8 | 170.6 | -70.3 | -65.7 | -77 | 0 | 0 | 108.6 | L47 F54 L56 R70 I74 V77 F91 M106 L114 | L47-M72 HydrophobicContact CD2-CG 4.14Å; L47-M72 HydrophobicContact CD2-SD 4.48Å; F54-M72 HydrophobicContact CB-CB 4.17Å; F54-M72 HydrophobicContact CB-CG 4.45Å; F54-M72 PolarHBondContact O-N 2.73Å; L56-M72 HydrophobicContact CB-CG 4.27Å; L56-M72 HydrophobicContact CB-SD 3.72Å; R70-M72 PolarHBondContact O-N 3.41Å; M72-I74 WeakPolarHBondContact CB-O 3.11Å; M72-I74 PolarHBondContact O-N 2.96Å; M72-V77 HydrophobicContact CE-CG2 3.97Å; M72-F91 HydrophobicContact CE-CE1 4.37Å; M72-F91 HydrophobicContact CE-CE2 3.97Å; M72-F91 HydrophobicContact CE-CZ 3.86Å; M72-M106 HydrophobicContact CE-CE 4.26Å; M72-M106 HydrophobicContact CE-SD 4.13Å; M72-M106 HydrophobicContact SD-CE 4.43Å; M72-M106 HydrophobicContact SD-SD 4.12Å; M72-L114 HydrophobicContact SD-CD1 3.73Å | ||
| 73 | P | 84.3 | Confident | 85.1 | Confident | 75 Ų | 75 | 64.8 Ų | 64.8 | 49% | 0.487 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -70.5 | -14.9 | 177.4 | 28.2 | -34 | 0 | 0 | 0 | 112.7 | V116 | P73-V116 HydrophobicContact CG-CB 3.62Å; P73-V116 HydrophobicContact CG-CG2 3.33Å |
| 74 | I | 80.1 | Confident | 85.6 | Confident | 39 Ų | 39 | 60.1 Ų | 60.1 | 20% | 0.2 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -129 | 141.7 | 175.3 | 56.4 | 173.1 | 0 | 0 | 0 | 110.5 | M72 F91 H93 F104 V116 | M72-I74 WeakPolarHBondContact CB-O 3.11Å; M72-I74 PolarHBondContact O-N 2.96Å; I74-F91 HydrophobicContact CD1-CE2 3.61Å; I74-F91 HydrophobicContact CD1-CZ 4Å; I74-F91 HydrophobicContact CG1-CE2 4.12Å; I74-F91 HydrophobicContact CG1-CZ 4.42Å; I74-H93 HydrophobicContact CD1-CB 3.97Å; I74-F104 HydrophobicContact CD1-CD1 4.02Å; I74-F104 HydrophobicContact CD1-CD2 4.07Å; I74-F104 HydrophobicContact CD1-CE1 4.2Å; I74-F104 HydrophobicContact CD1-CE2 4.24Å; I74-F104 HydrophobicContact CD1-CG 3.95Å; I74-F104 HydrophobicContact CD1-CZ 4.31Å; I74-V116 HydrophobicContact CD1-CG1 3.78Å; I74-V116 HydrophobicContact CG1-CG1 4.22Å |
| 75 | A | 77.3 | Confident | 86.6 | Confident | 50 Ų | 50 | 56.3 Ų | 56.3 | 41% | 0.413 | 30% | 0.297 | S | S | . | . | trans | -86.9 | -178.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F54 V77 H93 | F54-A75 HydrophobicContact CD2-CB 3.61Å; F54-A75 HydrophobicContact CE2-CB 3.69Å; A75-V77 PolarHBondContact O-N 3.13Å; A75-H93 PolarHBondContact O-CE1 3.05Å; A75-H93 PolarHBondContact O-ND1 3.15Å | ||
| 76 | G | 78.2 | Confident | 87.4 | Confident | 35 Ų | 35 | 46.9 Ų | 46.9 | 36% | 0.361 | 26% | 0.258 | S | S | . | . | trans | 67.5 | 39.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | G94 | G76-G94 PolarHBondContact O-N 3.18Š| ||
| 77 | V | 84.3 | Confident | 88 | Confident | 19 Ų | 19 | 48.5 Ų | 48.5 | 12% | 0.115 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 118.2 | 173.2 | 178.9 | 0 | 0 | 0 | 0 | 109.4 | L34 L47 M72 A75 F91 Y92 | L34-V77 HydrophobicContact CD1-CG1 3.86Å; L47-V77 HydrophobicContact CD1-CB 3.62Å; L47-V77 HydrophobicContact CD1-CG1 3.78Å; L47-V77 HydrophobicContact CD1-CG2 4.27Å; M72-V77 HydrophobicContact CE-CG2 3.97Å; A75-V77 PolarHBondContact O-N 3.13Å; V77-F91 HydrophobicContact CB-CD2 4.44Å; V77-F91 HydrophobicContact CG1-CB 3.98Å; V77-F91 HydrophobicContact CG1-CD2 3.89Å; V77-F91 HydrophobicContact CG1-CG 4.32Å; V77-F91 HydrophobicContact CG2-CD2 3.75Å; V77-F91 HydrophobicContact CG2-CE2 3.9Å; V77-Y92 VanDerWaalsContact CA-O 3.29Å; V77-Y92 WeakPolarHBondContact CA-O 3.31Å |
| 78 | S | 83.4 | Confident | 88.4 | Confident | 57 Ų | 57 | 47.1 Ų | 47.1 | 40% | 0.399 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -28 | -176.1 | 44.1 | 0 | 0 | 0 | 0 | 113.8 | Y92 G94 | S78-Y92 PolarHBondContact N-O 2.49Å; S78-Y92 WeakPolarHBondContact OG-CB 3.3Å; S78-G94 PolarHBondContact OG-O 2.68Å |
| 79 | D | 89.1 | Confident | 88.6 | Confident | 43 Ų | 43 | 44.2 Ų | 44.2 | 23% | 0.23 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 158.6 | 171.6 | -155.3 | -10 | 0 | 0 | 0 | 111.2 | R36 W81 F91 Y92 | R36-D79 IonicContact CZ-OD1 3.74Å; R36-D79 IonicContact NE-OD1 2.82Å; R36-D79 IonicContact NH2-OD1 3.79Å; R36-D79 PolarHBondContact NH2-OD1 2.92Å; D79-W81 HydrophobicContact CB-CH2 3.57Å; D79-W81 HydrophobicContact CB-CZ2 4.02Å; D79-W81 HydrophobicContact CB-CZ3 4.11Å; D79-W81 VanDerWaalsContact CG-CH2 3.47Å; D79-W81 WeakPolarHBondContact OD2-CH2 3.49Å; D79-W81 WeakPolarHBondContact OD2-CZ2 3.38Å; D79-F91 CarbonylContact O-C 3.53Å; D79-F91 WeakPolarHBondContact O-CA 3.43Å; D79-F91 WeakPolarHBondContact O-CB 3.22Å; D79-Y92 HydrophobicContact CB-CD2 3.9Å; D79-Y92 PolarHBondContact O-N 2.67Å |
| 80 | C | 92.6 | Very high | 88.8 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 3% | 0.027 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 155.1 | 178.2 | 73 | 0 | 0 | 0 | 0 | 113.9 | R36 M89 L90 F91 | R36-C80 WeakPolarHBondContact CD-O 3.43Å; R36-C80 WeakPolarHBondContact CG-O 3.43Å; R36-C80 PolarHBondContact NE-O 2.86Å; C80-M89 HydrophobicContact CB-CE 3.92Å; C80-M89 VanDerWaalsContact SG-CE 3.56Å; C80-L90 CarbonylContact C-O 3.45Å; C80-L90 VanDerWaalsContact CA-O 3.28Å; C80-L90 WeakPolarHBondContact CA-O 3.36Å; C80-F91 HydrophobicContact CB-CB 3.62Å |
| 81 | W | 93.8 | Very high | 88.8 | Confident | 56 Ų | 56 | 39.3 Ų | 39.3 | 21% | 0.212 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 144.6 | 179.5 | -57.6 | -91.6 | 0 | 0 | 0 | 111.4 | D79 M89 L90 Y92 V131 F134 | D79-W81 HydrophobicContact CB-CH2 3.57Å; D79-W81 HydrophobicContact CB-CZ2 4.02Å; D79-W81 HydrophobicContact CB-CZ3 4.11Å; D79-W81 VanDerWaalsContact CG-CH2 3.47Å; D79-W81 WeakPolarHBondContact OD2-CH2 3.49Å; D79-W81 WeakPolarHBondContact OD2-CZ2 3.38Å; W81-M89 CarbonylContact O-C 3.59Å; W81-M89 WeakPolarHBondContact O-CA 3.45Å; W81-M89 WeakPolarHBondContact O-CB 3.5Å; W81-M89 WeakPolarHBondContact O-CG 2.93Å; W81-L90 PolarHBondContact N-O 2.72Å; W81-L90 PolarHBondContact O-N 2.74Å; W81-Y92 AromaticContact CH2-CD2 3.83Å; W81-Y92 HydrophobicContact CH2-CD2 3.83Å; W81-Y92 AromaticContact CH2-CE2 3.5Å; W81-Y92 HydrophobicContact CH2-CE2 3.5Å; W81-Y92 VanDerWaalsContact CH2-CE2 3.5Å; W81-Y92 HydrophobicContact CZ3-CD2 4.09Å; W81-Y92 HydrophobicContact CZ3-CE2 4.01Å; W81-V131 HydrophobicContact CH2-CG2 4.45Å; W81-V131 HydrophobicContact CZ3-CG2 4.22Å; W81-F134 HydrophobicContact CB-CE1 4.16Å; W81-F134 HydrophobicContact CB-CE2 4.19Å; W81-F134 HydrophobicContact CB-CZ 3.54Å; W81-F134 AromaticContact CD1-CE2 3.8Å; W81-F134 AromaticContact CD1-CZ 3.96Å; W81-F134 HydrophobicContact CD2-CE2 4.29Å; W81-F134 AromaticContact CD2-CZ 3.87Å; W81-F134 HydrophobicContact CD2-CZ 3.87Å; W81-F134 HydrophobicContact CE3-CZ 4.36Å; W81-F134 AromaticContact CG-CE2 3.82Å; W81-F134 HydrophobicContact CG-CE2 3.82Å; W81-F134 AromaticContact CG-CZ 3.49Å; W81-F134 HydrophobicContact CG-CZ 3.49Å; W81-F134 VanDerWaalsContact CG-CZ 3.49Å |
| 82 | W | 94.7 | Very high | 88.7 | Confident | 15 Ų | 15 | 32 Ų | 32 | 6% | 0.057 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 136.2 | 161.5 | -76.7 | 92.8 | 0 | 0 | 0 | 109.8 | V37 D38 R43 S45 V58 G86 M89 V108 | V37-W82 VanDerWaalsContact C-CD1 3.49Å; D38-W82 HydrophobicContact CB-CB 4.44Å; D38-W82 HydrophobicContact CB-CD2 4.01Å; D38-W82 HydrophobicContact CB-CE3 4.27Å; D38-W82 HydrophobicContact CB-CG 4.1Å; R43-W82 HydrophobicContact CB-CH2 4.28Å; R43-W82 HydrophobicContact CB-CZ2 4.07Å; S45-W82 PolarHBondContact OG-NE1 3.1Å; V58-W82 HydrophobicContact CG1-CH2 4.29Å; V58-W82 HydrophobicContact CG1-CZ2 4.1Å; V58-W82 HydrophobicContact CG2-CZ2 4.47Å; W82-G86 WeakPolarHBondContact CZ3-O 2.97Å; W82-M89 HydrophobicContact CD2-CG 3.94Å; W82-M89 HydrophobicContact CD2-SD 4.32Å; W82-M89 HydrophobicContact CE3-CG 4.12Å; W82-M89 HydrophobicContact CG-CG 4.22Å; W82-M89 HydrophobicContact CZ2-SD 4.28Å; W82-V108 HydrophobicContact CH2-CB 3.94Å; W82-V108 HydrophobicContact CH2-CG1 3.58Å; W82-V108 HydrophobicContact CH2-CG2 4.28Å; W82-V108 HydrophobicContact CZ2-CG1 4.21Å; W82-V108 HydrophobicContact CZ3-CB 4.05Å; W82-V108 HydrophobicContact CZ3-CG1 4.22Å; W82-V108 HydrophobicContact CZ3-CG2 4.22Å |
| 83 | M | 93.8 | Very high | 88.4 | Confident | 5 Ų | 5 | 34.6 Ų | 34.6 | 3% | 0.025 | 20% | 0.195 | C | C | . | . | trans | -74.4 | 154.7 | 166.1 | -62.6 | -54.7 | -57.5 | 0 | 0 | 110 | D85 G86 R88 L90 F134 L161 | M83-D85 PolarHBondContact O-N 3.32Å; M83-D85 VanDerWaalsContact O-N 3.12Å; M83-G86 PolarHBondContact O-N 3.27Å; M83-R88 HydrophobicContact CB-CB 4.15Å; M83-R88 HydrophobicContact CG-CB 3.85Å; M83-R88 PolarHBondContact N-O 3.21Å; M83-L90 HydrophobicContact SD-CB 4.01Å; M83-F134 HydrophobicContact CE-CD1 4Å; M83-F134 HydrophobicContact CE-CE1 4.29Å; M83-F134 HydrophobicContact SD-CD1 4.04Å; M83-F134 HydrophobicContact SD-CE1 3.75Å; M83-L161 HydrophobicContact CE-CD1 3.65Å; M83-L161 HydrophobicContact CG-CD1 3.83Å; M83-L161 HydrophobicContact SD-CD1 3.58Å; M83-L161 VanDerWaalsContact SD-CD1 3.58Å | ||
| 84 | N | 89.5 | Confident | 87.7 | Confident | 44 Ų | 44 | 31.5 Ų | 31.5 | 24% | 0.235 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -14.4 | -179.9 | -73 | -20 | 0 | 0 | 0 | 113.4 | G86 S135 V139 | N84-G86 PolarHBondContact O-N 2.89Å; N84-S135 VanDerWaalsContact ND2-C 3.34Å; N84-S135 PolarHBondContact ND2-O 3.1Å; N84-V139 HydrophobicContact CB-CB 4.37Å; N84-V139 HydrophobicContact CB-CG1 4.17Å |
| 85 | D | 87.7 | Confident | 86.3 | Confident | 41 Ų | 41 | 33 Ų | 33 | 22% | 0.219 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -12.3 | 170.2 | 69.8 | 12.9 | 0 | 0 | 0 | 114 | M83 Q87 R88 | M83-D85 PolarHBondContact O-N 3.32Å; M83-D85 VanDerWaalsContact O-N 3.12Å; D85-Q87 PolarHBondContact O-N 2.59Å; D85-Q87 PolarHBondContact OD1-N 3.12Å; D85-R88 PolarHBondContact OD1-N 3.25Å; D85-R88 WeakPolarHBondContact OD2-CD 3.46Å; D85-R88 WeakPolarHBondContact OD2-CG 3.39Å; D85-R88 IonicContact OD2-CZ 2.82Å; D85-R88 IonicContact OD2-NE 3.9Å; D85-R88 IonicContact OD2-NH1 3.24Å; D85-R88 PolarHBondContact OD2-NH1 3.22Å |
| 86 | G | 88.7 | Confident | 84.8 | Confident | 8 Ų | 8 | 35.8 Ų | 35.8 | 8% | 0.082 | 21% | 0.207 | C | C | . | . | S | Bend | trans | 67.2 | 11.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | R43 W82 M83 N84 | R43-G86 PolarHBondContact NH1-O 2.89Å; W82-G86 WeakPolarHBondContact CZ3-O 2.97Å; M83-G86 PolarHBondContact O-N 3.27Å; N84-G86 PolarHBondContact O-N 2.89Å |
| 87 | Q | 90.1 | Very high | 83.1 | Confident | 95 Ų | 95 | 36.4 Ų | 36.4 | 44% | 0.444 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -119.1 | -36.5 | -176.5 | -63.6 | -178.3 | 26.3 | 0 | 0 | 112.1 | D85 V108 L109 | D85-Q87 PolarHBondContact O-N 2.59Å; D85-Q87 PolarHBondContact OD1-N 3.12Å; Q87-V108 WeakPolarHBondContact O-CB 3.45Å; Q87-V108 PolarHBondContact O-N 2.91Å; Q87-L109 HydrophobicContact CG-CD1 4.31Å |
| 88 | R | 93.3 | Very high | 81.2 | Confident | 49 Ų | 49 | 39.9 Ų | 39.9 | 19% | 0.185 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 152.8 | -175.5 | -61.2 | 179.3 | -168.3 | 110.7 | 6.3 | 111.6 | M83 D85 M106 N162 | M83-R88 HydrophobicContact CB-CB 4.15Å; M83-R88 HydrophobicContact CG-CB 3.85Å; M83-R88 PolarHBondContact N-O 3.21Å; D85-R88 PolarHBondContact OD1-N 3.25Å; D85-R88 WeakPolarHBondContact OD2-CD 3.46Å; D85-R88 WeakPolarHBondContact OD2-CG 3.39Å; D85-R88 IonicContact OD2-CZ 2.82Å; D85-R88 IonicContact OD2-NE 3.9Å; D85-R88 IonicContact OD2-NH1 3.24Å; D85-R88 PolarHBondContact OD2-NH1 3.22Å; R88-M106 VanDerWaalsContact CA-O 3.28Å; R88-M106 WeakPolarHBondContact CA-O 3.4Å; R88-N162 PolarHBondContact NH1-OD1 3.35Å; R88-N162 PolarHBondContact NH2-OD1 3.03Å; R88-N162 VanDerWaalsContact NH2-OD1 3.12Å |
| 89 | M | 94.6 | Very high | 79.7 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 147.8 | 164.9 | -78.1 | 178.4 | 87.9 | 0 | 0 | 110.7 | L56 C80 W81 W82 T105 M106 V108 | L56-M89 HydrophobicContact CD1-SD 4.17Å; L56-M89 HydrophobicContact CD2-SD 4.3Å; C80-M89 HydrophobicContact CB-CE 3.92Å; C80-M89 VanDerWaalsContact SG-CE 3.56Å; W81-M89 CarbonylContact O-C 3.59Å; W81-M89 WeakPolarHBondContact O-CA 3.45Å; W81-M89 WeakPolarHBondContact O-CB 3.5Å; W81-M89 WeakPolarHBondContact O-CG 2.93Å; W82-M89 HydrophobicContact CD2-CG 3.94Å; W82-M89 HydrophobicContact CD2-SD 4.32Å; W82-M89 HydrophobicContact CE3-CG 4.12Å; W82-M89 HydrophobicContact CG-CG 4.22Å; W82-M89 HydrophobicContact CZ2-SD 4.28Å; M89-T105 VanDerWaalsContact O-CA 3.25Å; M89-T105 WeakPolarHBondContact O-CA 3.39Å; M89-T105 PolarHBondContact O-OG1 3.34Å; M89-M106 HydrophobicContact CB-CE 3.7Å; M89-M106 HydrophobicContact CB-CG 4.22Å; M89-M106 HydrophobicContact CG-CE 4.39Å; M89-M106 PolarHBondContact N-O 3.08Å; M89-M106 PolarHBondContact O-N 3.44Å; M89-M106 VanDerWaalsContact O-N 3.08Å; M89-M106 HydrophobicContact SD-CE 3.9Å; M89-V108 HydrophobicContact CB-CG2 3.78Å; M89-V108 HydrophobicContact CG-CG2 3.5Å; M89-V108 HydrophobicContact SD-CG2 3.71Å |
| 90 | L | 94.8 | Very high | 78.3 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 140.4 | 171.4 | -169.5 | 75.4 | 0 | 0 | 0 | 107.9 | C80 W81 M83 L103 F104 A119 V131 F134 V142 L161 | C80-L90 CarbonylContact C-O 3.45Å; C80-L90 VanDerWaalsContact CA-O 3.28Å; C80-L90 WeakPolarHBondContact CA-O 3.36Å; W81-L90 PolarHBondContact N-O 2.72Å; W81-L90 PolarHBondContact O-N 2.74Å; M83-L90 HydrophobicContact SD-CB 4.01Å; L90-L103 HydrophobicContact CD1-CD1 3.98Å; L90-L103 HydrophobicContact CD1-CD2 3.84Å; L90-L103 HydrophobicContact CD1-CG 3.65Å; L90-L103 HydrophobicContact CD2-CD1 3.93Å; L90-L103 HydrophobicContact CD2-CD2 4.09Å; L90-L103 HydrophobicContact CD2-CG 4.3Å; L90-L103 HydrophobicContact CG-CD1 3.68Å; L90-L103 HydrophobicContact CG-CD2 4.23Å; L90-L103 HydrophobicContact CG-CG 3.96Å; L90-F104 WeakPolarHBondContact CA-O 3.22Å; L90-A119 HydrophobicContact CD1-CB 4.11Å; L90-V131 HydrophobicContact CD2-CG2 3.97Å; L90-F134 HydrophobicContact CD2-CE1 4.1Å; L90-F134 HydrophobicContact CD2-CZ 4.32Å; L90-V142 HydrophobicContact CD2-CB 4.24Å; L90-V142 HydrophobicContact CD2-CG1 4Å; L90-V142 HydrophobicContact CD2-CG2 3.82Å; L90-L161 HydrophobicContact CD1-CD1 4.34Å; L90-L161 HydrophobicContact CD1-CD2 4.03Å |
| 91 | F | 93.2 | Very high | 77.1 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 153.4 | -178.6 | 63.7 | -85.9 | 0 | 0 | 0 | 112.4 | M72 I74 V77 D79 C80 F104 M106 V116 | M72-F91 HydrophobicContact CE-CE1 4.37Å; M72-F91 HydrophobicContact CE-CE2 3.97Å; M72-F91 HydrophobicContact CE-CZ 3.86Å; I74-F91 HydrophobicContact CD1-CE2 3.61Å; I74-F91 HydrophobicContact CD1-CZ 4Å; I74-F91 HydrophobicContact CG1-CE2 4.12Å; I74-F91 HydrophobicContact CG1-CZ 4.42Å; V77-F91 HydrophobicContact CB-CD2 4.44Å; V77-F91 HydrophobicContact CG1-CB 3.98Å; V77-F91 HydrophobicContact CG1-CD2 3.89Å; V77-F91 HydrophobicContact CG1-CG 4.32Å; V77-F91 HydrophobicContact CG2-CD2 3.75Å; V77-F91 HydrophobicContact CG2-CE2 3.9Å; D79-F91 CarbonylContact O-C 3.53Å; D79-F91 WeakPolarHBondContact O-CA 3.43Å; D79-F91 WeakPolarHBondContact O-CB 3.22Å; C80-F91 HydrophobicContact CB-CB 3.62Å; F91-F104 HydrophobicContact CD1-CB 4.29Å; F91-F104 HydrophobicContact CD2-CB 4.14Å; F91-F104 HydrophobicContact CE1-CB 3.8Å; F91-F104 HydrophobicContact CE2-CB 3.68Å; F91-F104 HydrophobicContact CE2-CG 4.36Å; F91-F104 HydrophobicContact CG-CB 4.45Å; F91-F104 HydrophobicContact CZ-CB 3.49Å; F91-F104 VanDerWaalsContact CZ-CB 3.49Å; F91-F104 HydrophobicContact CZ-CG 4.37Å; F91-F104 PolarHBondContact N-O 2.7Å; F91-F104 PolarHBondContact O-N 3.2Å; F91-M106 HydrophobicContact CD1-CE 4.06Å; F91-M106 HydrophobicContact CD1-CG 4.49Å; F91-M106 HydrophobicContact CD1-SD 4.47Å; F91-M106 HydrophobicContact CE1-CB 4.38Å; F91-M106 HydrophobicContact CE1-CE 4.08Å; F91-M106 HydrophobicContact CE1-CG 3.98Å; F91-M106 HydrophobicContact CE1-SD 3.89Å; F91-V116 HydrophobicContact CE1-CG1 4.36Å; F91-V116 HydrophobicContact CE1-CG2 4.28Å; F91-V116 HydrophobicContact CZ-CB 4.38Å; F91-V116 HydrophobicContact CZ-CG1 3.63Å; F91-V116 HydrophobicContact CZ-CG2 3.81Å |
| 92 | Y | 89.9 | Confident | 76.6 | Confident | 28 Ų | 28 | 40.6 Ų | 40.6 | 11% | 0.11 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 143.6 | 171.4 | -68.8 | -52.8 | 0 | 0 | 0 | 111.3 | V77 S78 D79 W81 P101 T102 L103 I130 V131 | V77-Y92 VanDerWaalsContact CA-O 3.29Å; V77-Y92 WeakPolarHBondContact CA-O 3.31Å; S78-Y92 PolarHBondContact N-O 2.49Å; S78-Y92 WeakPolarHBondContact OG-CB 3.3Å; D79-Y92 HydrophobicContact CB-CD2 3.9Å; D79-Y92 PolarHBondContact O-N 2.67Å; W81-Y92 AromaticContact CH2-CD2 3.83Å; W81-Y92 HydrophobicContact CH2-CD2 3.83Å; W81-Y92 AromaticContact CH2-CE2 3.5Å; W81-Y92 HydrophobicContact CH2-CE2 3.5Å; W81-Y92 VanDerWaalsContact CH2-CE2 3.5Å; W81-Y92 HydrophobicContact CZ3-CD2 4.09Å; W81-Y92 HydrophobicContact CZ3-CE2 4.01Å; Y92-P101 HydrophobicContact CD1-CB 3.82Å; Y92-P101 HydrophobicContact CE1-CB 4.38Å; Y92-P101 HydrophobicContact CG-CB 4.06Å; Y92-T102 WeakPolarHBondContact CA-O 3.43Å; Y92-L103 HydrophobicContact CD1-CD1 3.77Å; Y92-L103 HydrophobicContact CE1-CD1 3.7Å; Y92-I130 VanDerWaalsContact OH-CA 3.25Å; Y92-I130 WeakPolarHBondContact OH-CA 3.44Å; Y92-V131 PolarHBondContact OH-N 3.05Å |
| 93 | H | 82.7 | Confident | 76.4 | Confident | 62 Ų | 62 | 39.9 Ų | 39.9 | 29% | 0.287 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 131.2 | 165.9 | 176.5 | 75.7 | 0 | 0 | 0 | 109.4 | I74 A75 T102 F104 | I74-H93 HydrophobicContact CD1-CB 3.97Å; A75-H93 PolarHBondContact O-CE1 3.05Å; A75-H93 PolarHBondContact O-ND1 3.15Å; H93-T102 PolarHBondContact N-O 3.26Å; H93-T102 PolarHBondContact O-N 3.44Å; H93-F104 HydrophobicContact CB-CD2 3.51Å; H93-F104 HydrophobicContact CB-CE2 3.51Å |
| 94 | G | 69.6 | Low | 76.4 | Confident | 11 Ų | 11 | 41 Ų | 41 | 11% | 0.113 | 26% | 0.255 | C | S | . | . | S | Bend | trans | 117.6 | 147.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G76 S78 | G76-G94 PolarHBondContact O-N 3.18Å; S78-G94 PolarHBondContact OG-O 2.68Å |
| 95 | S | 50.8 | Low | 76.6 | Confident | 69 Ų | 69 | 38.9 Ų | 38.9 | 48% | 0.483 | 24% | 0.244 | S | C | . | . | trans | -74.5 | 149.6 | 173.5 | 46.7 | 0 | 0 | 0 | 0 | 110.3 | V97 S99 | S95-V97 PolarHBondContact O-N 3.36Å; S95-V97 PolarHBondContact OG-O 2.84Å; S95-V97 VanDerWaalsContact OG-O 3.04Å; S95-S99 PolarHBondContact N-OG 3.48Å; S95-S99 VanDerWaalsContact N-OG 3.1Å; S95-S99 VanDerWaalsContact O-O 3.1Å; S95-S99 PolarHBondContact O-OG 3.24Å; S95-S99 PolarHBondContact OG-OG 3.09Å | ||
| 96 | S | 46.8 | Very low | 76.9 | Confident | 109 Ų | 109 | 37.1 Ų | 37.1 | 76% | 0.762 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | -14.6 | 170.3 | 47.6 | 0 | 0 | 0 | 0 | 113.7 | ||
| 97 | V | 42.6 | Very low | 77.2 | Confident | 49 Ų | 49 | 38.9 Ų | 38.9 | 30% | 0.297 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | 117.4 | -178.5 | -168.6 | 0 | 0 | 0 | 0 | 109.4 | S95 S99 L586 | S95-V97 PolarHBondContact O-N 3.36Å; S95-V97 PolarHBondContact OG-O 2.84Å; S95-V97 VanDerWaalsContact OG-O 3.04Å; V97-S99 PolarHBondContact O-N 2.95Å; V97-L586 HydrophobicContact CG1-CB 3.41Å; V97-L586 VanDerWaalsContact CG1-CB 3.41Å; V97-L586 HydrophobicContact CG1-CD1 3.52Å; V97-L586 HydrophobicContact CG1-CG 4.06Å |
| 98 | G | 44.4 | Very low | 77.3 | Confident | 92 Ų | 92 | 34.4 Ų | 34.4 | 95% | 0.948 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | -18.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 99 | S | 50.1 | Low | 77.1 | Confident | 48 Ų | 48 | 34.8 Ų | 34.8 | 34% | 0.336 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -110.4 | 131.5 | 175.1 | 64.1 | 0 | 0 | 0 | 0 | 111.6 | S95 V97 | S95-S99 PolarHBondContact N-OG 3.48Å; S95-S99 VanDerWaalsContact N-OG 3.1Å; S95-S99 VanDerWaalsContact O-O 3.1Å; S95-S99 PolarHBondContact O-OG 3.24Å; S95-S99 PolarHBondContact OG-OG 3.09Å; V97-S99 PolarHBondContact O-N 2.95Å |
| 100 | N | 59.9 | Low | 76.9 | Confident | 56 Ų | 56 | 36.5 Ų | 36.5 | 30% | 0.299 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -63.5 | 120.9 | 171 | -66.2 | -23.4 | 0 | 0 | 0 | 109.3 | T102 G126 S127 | N100-T102 PolarHBondContact O-N 3.14Å; N100-T102 PolarHBondContact O-OG1 2.91Å; N100-G126 VanDerWaalsContact ND2-C 3.33Å; N100-G126 WeakPolarHBondContact ND2-CA 3.33Å; N100-G126 PolarHBondContact ND2-N 3.22Å; N100-S127 WeakPolarHBondContact CB-O 3.5Å; N100-S127 PolarHBondContact ND2-N 3.07Å; N100-S127 PolarHBondContact ND2-O 3.24Å; N100-S127 PolarHBondContact OD1-O 3.15Å |
| 101 | P | 68.4 | Low | 76.5 | Confident | 12 Ų | 12 | 46.5 Ų | 46.5 | 8% | 0.078 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 121 | 177 | 27.4 | -32 | 0 | 0 | 0 | 108 | Y92 F128 | Y92-P101 HydrophobicContact CD1-CB 3.82Å; Y92-P101 HydrophobicContact CE1-CB 4.38Å; Y92-P101 HydrophobicContact CG-CB 4.06Å; P101-F128 HydrophobicContact CG-CD2 3.49Å; P101-F128 VanDerWaalsContact CG-CD2 3.49Å; P101-F128 HydrophobicContact CG-CE2 3.16Å; P101-F128 HydrophobicContact CG-CG 4.42Å; P101-F128 HydrophobicContact CG-CZ 3.92Å |
| 102 | T | 83 | Confident | 76.3 | Confident | 58 Ų | 58 | 48.6 Ų | 48.6 | 36% | 0.356 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 137.3 | 177 | -58.2 | 0 | 0 | 0 | 0 | 108.4 | Y92 H93 N100 F104 | Y92-T102 WeakPolarHBondContact CA-O 3.43Å; H93-T102 PolarHBondContact N-O 3.26Å; H93-T102 PolarHBondContact O-N 3.44Å; N100-T102 PolarHBondContact O-N 3.14Å; N100-T102 PolarHBondContact O-OG1 2.91Å; T102-F104 HydrophobicContact CG2-CD2 4.17Å; T102-F104 HydrophobicContact CG2-CE2 3.55Å; T102-F104 HydrophobicContact CG2-CZ 4.13Å; T102-F104 WeakPolarHBondContact O-CD2 3.49Å |
| 103 | L | 91.5 | Very high | 76.4 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 127.9 | -177.6 | -161.9 | 66.4 | 0 | 0 | 0 | 110.5 | L90 Y92 A119 L120 V131 I144 L159 | L90-L103 HydrophobicContact CD1-CD1 3.98Å; L90-L103 HydrophobicContact CD1-CD2 3.84Å; L90-L103 HydrophobicContact CD1-CG 3.65Å; L90-L103 HydrophobicContact CD2-CD1 3.93Å; L90-L103 HydrophobicContact CD2-CD2 4.09Å; L90-L103 HydrophobicContact CD2-CG 4.3Å; L90-L103 HydrophobicContact CG-CD1 3.68Å; L90-L103 HydrophobicContact CG-CD2 4.23Å; L90-L103 HydrophobicContact CG-CG 3.96Å; Y92-L103 HydrophobicContact CD1-CD1 3.77Å; Y92-L103 HydrophobicContact CE1-CD1 3.7Å; L103-A119 HydrophobicContact CB-CB 4.28Å; L103-A119 HydrophobicContact CD2-CB 4.3Å; L103-A119 HydrophobicContact CG-CB 4.09Å; L103-A119 WeakPolarHBondContact O-CB 3.26Å; L103-A119 PolarHBondContact O-N 2.91Å; L103-L120 HydrophobicContact CB-CD1 4.01Å; L103-L120 HydrophobicContact CD2-CD1 4.26Å; L103-V131 HydrophobicContact CD1-CG2 4.12Å; L103-I144 HydrophobicContact CD2-CG2 3.95Å; L103-L159 HydrophobicContact CD2-CD2 3.92Å |
| 104 | F | 92.8 | Very high | 76.8 | Confident | 28 Ų | 28 | 50.1 Ų | 50.1 | 12% | 0.123 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 157.1 | 178.2 | -74.9 | -96.1 | 0 | 0 | 0 | 110.8 | I74 L90 F91 H93 T102 V116 R117 P118 | I74-F104 HydrophobicContact CD1-CD1 4.02Å; I74-F104 HydrophobicContact CD1-CD2 4.07Å; I74-F104 HydrophobicContact CD1-CE1 4.2Å; I74-F104 HydrophobicContact CD1-CE2 4.24Å; I74-F104 HydrophobicContact CD1-CG 3.95Å; I74-F104 HydrophobicContact CD1-CZ 4.31Å; L90-F104 WeakPolarHBondContact CA-O 3.22Å; F91-F104 HydrophobicContact CD1-CB 4.29Å; F91-F104 HydrophobicContact CD2-CB 4.14Å; F91-F104 HydrophobicContact CE1-CB 3.8Å; F91-F104 HydrophobicContact CE2-CB 3.68Å; F91-F104 HydrophobicContact CE2-CG 4.36Å; F91-F104 HydrophobicContact CG-CB 4.45Å; F91-F104 HydrophobicContact CZ-CB 3.49Å; F91-F104 VanDerWaalsContact CZ-CB 3.49Å; F91-F104 HydrophobicContact CZ-CG 4.37Å; F91-F104 PolarHBondContact N-O 2.7Å; F91-F104 PolarHBondContact O-N 3.2Å; H93-F104 HydrophobicContact CB-CD2 3.51Å; H93-F104 HydrophobicContact CB-CE2 3.51Å; T102-F104 HydrophobicContact CG2-CD2 4.17Å; T102-F104 HydrophobicContact CG2-CE2 3.55Å; T102-F104 HydrophobicContact CG2-CZ 4.13Å; T102-F104 WeakPolarHBondContact O-CD2 3.49Å; F104-V116 HydrophobicContact CB-CG1 4.02Å; F104-V116 HydrophobicContact CD1-CG1 3.46Å; F104-V116 VanDerWaalsContact CD1-CG1 3.46Å; F104-V116 HydrophobicContact CE1-CG1 4.26Å; F104-V116 HydrophobicContact CG-CG1 4.05Å; F104-R117 WeakPolarHBondContact CA-O 3.45Å; F104-R117 WeakPolarHBondContact CD1-O 3.34Å; F104-P118 HydrophobicContact CD1-CB 4.47Å; F104-P118 HydrophobicContact CD1-CG 4.35Å; F104-P118 HydrophobicContact CE1-CB 4.21Å; F104-P118 HydrophobicContact CE1-CG 3.78Å; F104-P118 HydrophobicContact CZ-CG 4.43Å |
| 105 | T | 94.5 | Very high | 77.8 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 154.6 | 173.6 | -174.4 | 0 | 0 | 0 | 0 | 111.8 | M89 R117 A119 M164 | M89-T105 VanDerWaalsContact O-CA 3.25Å; M89-T105 WeakPolarHBondContact O-CA 3.39Å; M89-T105 PolarHBondContact O-OG1 3.34Å; T105-R117 HydrophobicContact CG2-CG 3.88Å; T105-R117 PolarHBondContact N-O 2.68Å; T105-R117 PolarHBondContact O-N 2.92Å; T105-A119 HydrophobicContact CG2-CB 4.19Å; T105-M164 HydrophobicContact CG2-CE 3.41Å; T105-M164 VanDerWaalsContact CG2-CE 3.41Å; T105-M164 HydrophobicContact CG2-SD 4.23Å |
| 106 | M | 94 | Very high | 79.7 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.02 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 148.8 | 177.5 | 60.8 | -173.6 | 169.2 | 0 | 0 | 111 | L56 M72 R88 M89 F91 V108 L114 V116 | L56-M106 HydrophobicContact CD1-CE 4.37Å; L56-M106 HydrophobicContact CD2-CE 3.46Å; L56-M106 VanDerWaalsContact CD2-CE 3.46Å; L56-M106 HydrophobicContact CD2-SD 4.01Å; L56-M106 HydrophobicContact CG-CE 4.44Å; M72-M106 HydrophobicContact CE-CE 4.26Å; M72-M106 HydrophobicContact CE-SD 4.13Å; M72-M106 HydrophobicContact SD-CE 4.43Å; M72-M106 HydrophobicContact SD-SD 4.12Å; R88-M106 VanDerWaalsContact CA-O 3.28Å; R88-M106 WeakPolarHBondContact CA-O 3.4Å; M89-M106 HydrophobicContact CB-CE 3.7Å; M89-M106 HydrophobicContact CB-CG 4.22Å; M89-M106 HydrophobicContact CG-CE 4.39Å; M89-M106 PolarHBondContact N-O 3.08Å; M89-M106 PolarHBondContact O-N 3.44Å; M89-M106 VanDerWaalsContact O-N 3.08Å; M89-M106 HydrophobicContact SD-CE 3.9Å; F91-M106 HydrophobicContact CD1-CE 4.06Å; F91-M106 HydrophobicContact CD1-CG 4.49Å; F91-M106 HydrophobicContact CD1-SD 4.47Å; F91-M106 HydrophobicContact CE1-CB 4.38Å; F91-M106 HydrophobicContact CE1-CE 4.08Å; F91-M106 HydrophobicContact CE1-CG 3.98Å; F91-M106 HydrophobicContact CE1-SD 3.89Å; M106-V108 HydrophobicContact CE-CG2 4.37Å; M106-V108 HydrophobicContact CG-CG2 4.21Å; M106-L114 HydrophobicContact SD-CD1 4.34Å; M106-L114 HydrophobicContact SD-CD2 4.48Å; M106-V116 HydrophobicContact CB-CG2 4.19Å; M106-V116 HydrophobicContact SD-CG2 4.35Å |
| 107 | D | 93.6 | Very high | 81.8 | Confident | 46 Ų | 46 | 55.5 Ų | 55.5 | 25% | 0.246 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 120.4 | 161.4 | -175.1 | -28.6 | 0 | 0 | 0 | 108.1 | L109 Q110 | D107-L109 PolarHBondContact OD1-N 2.86Å; D107-Q110 HydrophobicContact CB-CB 4.17Å; D107-Q110 HydrophobicContact CB-CG 4.25Å; D107-Q110 WeakPolarHBondContact O-CG 3.27Å; D107-Q110 PolarHBondContact OD1-N 2.89Å |
| 108 | V | 92.7 | Very high | 84.2 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -84.9 | -30.1 | -174.7 | -178 | 0 | 0 | 0 | 0 | 111.3 | L56 V58 F68 R70 W82 Q87 M89 M106 | L56-V108 HydrophobicContact CD2-CG1 3.99Å; L56-V108 HydrophobicContact CD2-CG2 4.36Å; V58-V108 HydrophobicContact CG2-CG1 3.6Å; F68-V108 HydrophobicContact CZ-CG1 4.21Å; F68-V108 WeakPolarHBondContact CZ-O 3.45Å; R70-V108 PolarHBondContact NH2-O 2.69Å; W82-V108 HydrophobicContact CH2-CB 3.94Å; W82-V108 HydrophobicContact CH2-CG1 3.58Å; W82-V108 HydrophobicContact CH2-CG2 4.28Å; W82-V108 HydrophobicContact CZ2-CG1 4.21Å; W82-V108 HydrophobicContact CZ3-CB 4.05Å; W82-V108 HydrophobicContact CZ3-CG1 4.22Å; W82-V108 HydrophobicContact CZ3-CG2 4.22Å; Q87-V108 WeakPolarHBondContact O-CB 3.45Å; Q87-V108 PolarHBondContact O-N 2.91Å; M89-V108 HydrophobicContact CB-CG2 3.78Å; M89-V108 HydrophobicContact CG-CG2 3.5Å; M89-V108 HydrophobicContact SD-CG2 3.71Å; M106-V108 HydrophobicContact CE-CG2 4.37Å; M106-V108 HydrophobicContact CG-CG2 4.21Å |
| 109 | L | 89.5 | Confident | 86.5 | Confident | 57 Ų | 57 | 52.1 Ų | 52.1 | 30% | 0.298 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -98.6 | -7.3 | -171.9 | -56.7 | -176 | 0 | 0 | 0 | 113.3 | R43 Q87 D107 | R43-L109 VanDerWaalsContact CZ-CD1 3.48Å; Q87-L109 HydrophobicContact CG-CD1 4.31Å; D107-L109 PolarHBondContact OD1-N 2.86Å |
| 110 | Q | 89.9 | Confident | 88.3 | Confident | 37 Ų | 37 | 50.5 Ų | 50.5 | 17% | 0.173 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -51 | 153 | 172.2 | 69.4 | 176.8 | 18.3 | 0 | 0 | 112.2 | R70 D107 P113 | R70-Q110 PolarHBondContact NH1-O 2.69Å; R70-Q110 PolarHBondContact NH2-O 3.42Å; D107-Q110 HydrophobicContact CB-CB 4.17Å; D107-Q110 HydrophobicContact CB-CG 4.25Å; D107-Q110 WeakPolarHBondContact O-CG 3.27Å; D107-Q110 PolarHBondContact OD1-N 2.89Å; Q110-P113 PolarHBondContact NE2-O 2.8Å |
| 111 | K | 87.2 | Confident | 89.3 | Confident | 210 Ų | 210 | 51.7 Ų | 51.7 | 91% | 0.913 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -79.9 | 141.9 | 172.8 | -67.1 | -178.2 | 179.3 | 178.2 | 0 | 110.7 | ||
| 112 | G | 89.3 | Confident | 89.9 | Confident | 44 Ų | 44 | 60.5 Ų | 60.5 | 45% | 0.454 | 32% | 0.323 | S | S | . | . | S | Bend | trans | 90.9 | -162.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.8 | R70 | R70-G112 VanDerWaalsContact CD-O 3.27Å; R70-G112 WeakPolarHBondContact CD-O 3.3Å; R70-G112 PolarHBondContact NH1-O 2.83Å |
| 113 | P | 90.7 | Very high | 89.9 | Confident | 112 Ų | 112 | 60 Ų | 60 | 73% | 0.727 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -57.3 | 149.7 | 179.2 | -22.9 | 33.3 | 0 | 0 | 0 | 112.4 | Q110 K115 | Q110-P113 PolarHBondContact NE2-O 2.8Å; P113-K115 PolarHBondContact O-N 2.9Å |
| 114 | L | 92 | Very high | 89.6 | Confident | 11 Ų | 11 | 64 Ų | 64 | 6% | 0.058 | 34% | 0.343 | C | S | . | . | trans | -66.1 | 128.8 | 175.1 | -68 | 171 | 0 | 0 | 0 | 110.1 | L56 R70 M72 M106 | L56-L114 HydrophobicContact CB-CD1 3.89Å; L56-L114 HydrophobicContact CD2-CD1 4.02Å; L56-L114 HydrophobicContact CD2-CD2 4.43Å; R70-L114 HydrophobicContact CB-CD1 3.83Å; R70-L114 HydrophobicContact CB-CG 3.82Å; M72-L114 HydrophobicContact SD-CD1 3.73Å; M106-L114 HydrophobicContact SD-CD1 4.34Å; M106-L114 HydrophobicContact SD-CD2 4.48Å | ||
| 115 | K | 89.9 | Confident | 89.1 | Confident | 157 Ų | 157 | 67.1 Ų | 67.1 | 68% | 0.683 | 38% | 0.375 | S | S | * | . | trans | -100.2 | 101.7 | 174.6 | -71.7 | 179.9 | -175.8 | -177.9 | 0 | 107.3 | P113 | P113-K115 PolarHBondContact O-N 2.9Š| ||
| 116 | V | 91.1 | Very high | 88.4 | Confident | 32 Ų | 32 | 69 Ų | 69 | 19% | 0.194 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 136.1 | 173.9 | 170.4 | 0 | 0 | 0 | 0 | 108.5 | P73 I74 F91 F104 M106 | P73-V116 HydrophobicContact CG-CB 3.62Å; P73-V116 HydrophobicContact CG-CG2 3.33Å; I74-V116 HydrophobicContact CD1-CG1 3.78Å; I74-V116 HydrophobicContact CG1-CG1 4.22Å; F91-V116 HydrophobicContact CE1-CG1 4.36Å; F91-V116 HydrophobicContact CE1-CG2 4.28Å; F91-V116 HydrophobicContact CZ-CB 4.38Å; F91-V116 HydrophobicContact CZ-CG1 3.63Å; F91-V116 HydrophobicContact CZ-CG2 3.81Å; F104-V116 HydrophobicContact CB-CG1 4.02Å; F104-V116 HydrophobicContact CD1-CG1 3.46Å; F104-V116 VanDerWaalsContact CD1-CG1 3.46Å; F104-V116 HydrophobicContact CE1-CG1 4.26Å; F104-V116 HydrophobicContact CG-CG1 4.05Å; M106-V116 HydrophobicContact CB-CG2 4.19Å; M106-V116 HydrophobicContact SD-CG2 4.35Å |
| 117 | R | 91.4 | Very high | 88 | Confident | 113 Ų | 113 | 69 Ų | 69 | 43% | 0.426 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 145.4 | 174.3 | 59.4 | -167.9 | -180 | -155 | 12.4 | 110 | F104 T105 A119 L161 M164 | F104-R117 WeakPolarHBondContact CA-O 3.45Å; F104-R117 WeakPolarHBondContact CD1-O 3.34Å; T105-R117 HydrophobicContact CG2-CG 3.88Å; T105-R117 PolarHBondContact N-O 2.68Å; T105-R117 PolarHBondContact O-N 2.92Å; R117-A119 PolarHBondContact O-N 3.41Å; R117-L161 PolarHBondContact NH2-O 2.77Å; R117-M164 HydrophobicContact CG-CE 4.09Å |
| 118 | P | 91.4 | Very high | 87.6 | Confident | 70 Ų | 70 | 71 Ų | 71 | 46% | 0.455 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.8 | 131 | 170.1 | -22.4 | 32.4 | 0 | 0 | 0 | 109.4 | F104 L120 | F104-P118 HydrophobicContact CD1-CB 4.47Å; F104-P118 HydrophobicContact CD1-CG 4.35Å; F104-P118 HydrophobicContact CE1-CB 4.21Å; F104-P118 HydrophobicContact CE1-CG 3.78Å; F104-P118 HydrophobicContact CZ-CG 4.43Å; P118-L120 VanDerWaalsContact C-N 3.29Å; P118-L120 WeakPolarHBondContact CB-O 3.41Å |
| 119 | A | 92.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -80 | -20.5 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | L90 L103 T105 R117 L159 L161 | L90-A119 HydrophobicContact CD1-CB 4.11Å; L103-A119 HydrophobicContact CB-CB 4.28Å; L103-A119 HydrophobicContact CD2-CB 4.3Å; L103-A119 HydrophobicContact CG-CB 4.09Å; L103-A119 WeakPolarHBondContact O-CB 3.26Å; L103-A119 PolarHBondContact O-N 2.91Å; T105-A119 HydrophobicContact CG2-CB 4.19Å; R117-A119 PolarHBondContact O-N 3.41Å; A119-L159 HydrophobicContact CB-CD2 3.95Å; A119-L159 VanDerWaalsContact O-CD1 3.32Å; A119-L159 WeakPolarHBondContact O-CD1 3.44Å; A119-L159 WeakPolarHBondContact O-CD2 3.46Å; A119-L161 HydrophobicContact CB-CD2 4.21Å |
| 120 | L | 88.6 | Confident | 87.5 | Confident | 13 Ų | 13 | 70.2 Ų | 70.2 | 7% | 0.068 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -125.7 | 148.4 | 178.7 | -72.1 | 164.8 | 0 | 0 | 0 | 110.8 | L103 P118 V129 I144 L159 K166 | L103-L120 HydrophobicContact CB-CD1 4.01Å; L103-L120 HydrophobicContact CD2-CD1 4.26Å; P118-L120 VanDerWaalsContact C-N 3.29Å; P118-L120 WeakPolarHBondContact CB-O 3.41Å; L120-V129 HydrophobicContact CD1-CG1 3.93Å; L120-V129 HydrophobicContact CD1-CG2 3.99Å; L120-I144 HydrophobicContact CD1-CD1 3.7Å; L120-I144 HydrophobicContact CD2-CD1 3.62Å; L120-I144 HydrophobicContact CG-CD1 4.17Å; L120-L159 HydrophobicContact CD2-CD1 3.84Å; L120-L159 HydrophobicContact CD2-CD2 3.88Å; L120-L159 HydrophobicContact CD2-CG 4.38Å; L120-L159 HydrophobicContact CG-CD2 3.88Å; L120-K166 HydrophobicContact CD2-CD 4.04Å |
| 121 | A | 81.5 | Confident | 87.7 | Confident | 82 Ų | 82 | 69.9 Ų | 69.9 | 68% | 0.678 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -63 | 159.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L123 | A121-L123 PolarHBondContact O-N 3Š|
| 122 | H | 80.9 | Confident | 88 | Confident | 196 Ų | 196 | 62.4 Ų | 62.4 | 91% | 0.907 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -53 | 128.5 | 177.8 | -72.9 | -61.9 | 0 | 0 | 0 | 111.6 | ||
| 123 | L | 83.6 | Confident | 88.1 | Confident | 49 Ų | 49 | 61.4 Ų | 61.4 | 26% | 0.257 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -93.8 | 157.7 | 173.7 | -61.6 | 176.3 | 0 | 0 | 0 | 110.2 | A121 V129 I146 | A121-L123 PolarHBondContact O-N 3Å; L123-V129 HydrophobicContact CD1-CG2 3.17Å; L123-I146 HydrophobicContact CD1-CG2 4.06Å; L123-I146 HydrophobicContact CD2-CD1 4.25Å; L123-I146 HydrophobicContact CD2-CG2 4.25Å |
| 124 | P | 84.5 | Confident | 88.2 | Confident | 82 Ų | 82 | 58.6 Ų | 58.6 | 53% | 0.532 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -51.9 | 147.3 | 171.2 | -25.2 | 34.6 | 0 | 0 | 0 | 112.2 | G126 S127 P149 | P124-G126 PolarHBondContact O-N 3.21Å; P124-S127 VanDerWaalsContact O-CB 3.23Å; P124-S127 WeakPolarHBondContact O-CB 3.45Å; P124-S127 PolarHBondContact O-N 2.85Å; P124-S127 PolarHBondContact O-OG 3.27Å; P124-P149 HydrophobicContact CB-CG 4.01Å |
| 125 | A | 82.7 | Confident | 88.1 | Confident | 94 Ų | 94 | 58.1 Ų | 58.1 | 78% | 0.777 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 136.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | S127 P149 | A125-S127 VanDerWaalsContact C-N 3.34Å; A125-P149 VanDerWaalsContact O-CG 3.27Å; A125-P149 WeakPolarHBondContact O-CG 3.43Å |
| 126 | G | 80.3 | Confident | 87.9 | Confident | 41 Ų | 41 | 53.3 Ų | 53.3 | 42% | 0.423 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | -6.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | N100 P124 | N100-G126 VanDerWaalsContact ND2-C 3.33Å; N100-G126 WeakPolarHBondContact ND2-CA 3.33Å; N100-G126 PolarHBondContact ND2-N 3.22Å; P124-G126 PolarHBondContact O-N 3.21Å |
| 127 | S | 85.6 | Confident | 87.7 | Confident | 4 Ų | 4 | 56.2 Ų | 56.2 | 3% | 0.028 | 32% | 0.324 | C | S | . | . | trans | -77.2 | 134.1 | 172.6 | -73.3 | 0 | 0 | 0 | 0 | 113.9 | N100 P124 A125 Y147 P149 | N100-S127 WeakPolarHBondContact CB-O 3.5Å; N100-S127 PolarHBondContact ND2-N 3.07Å; N100-S127 PolarHBondContact ND2-O 3.24Å; N100-S127 PolarHBondContact OD1-O 3.15Å; P124-S127 VanDerWaalsContact O-CB 3.23Å; P124-S127 WeakPolarHBondContact O-CB 3.45Å; P124-S127 PolarHBondContact O-N 2.85Å; P124-S127 PolarHBondContact O-OG 3.27Å; A125-S127 VanDerWaalsContact C-N 3.34Å; S127-Y147 WeakPolarHBondContact CA-O 3.15Å; S127-Y147 VanDerWaalsContact CB-O 3.22Å; S127-Y147 WeakPolarHBondContact CB-O 3.19Å; S127-Y147 PolarHBondContact OG-O 3.02Å; S127-P149 WeakPolarHBondContact OG-CD 3.31Å | ||
| 128 | F | 83.7 | Confident | 87.7 | Confident | 87 Ų | 87 | 55 Ų | 55 | 38% | 0.382 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 145.5 | -178.5 | -179.8 | -99.6 | 0 | 0 | 0 | 111.6 | P101 I130 Y147 | P101-F128 HydrophobicContact CG-CD2 3.49Å; P101-F128 VanDerWaalsContact CG-CD2 3.49Å; P101-F128 HydrophobicContact CG-CE2 3.16Å; P101-F128 HydrophobicContact CG-CG 4.42Å; P101-F128 HydrophobicContact CG-CZ 3.92Å; F128-I130 HydrophobicContact CD1-CG2 3.84Å; F128-I130 HydrophobicContact CE1-CG2 3.18Å; F128-I130 HydrophobicContact CZ-CG2 4.05Å; F128-Y147 AromaticContact CD1-CD2 3.94Å; F128-Y147 HydrophobicContact CD1-CD2 3.94Å; F128-Y147 HydrophobicContact CD1-CE2 4.34Å; F128-Y147 PolarHBondContact N-O 2.92Å; F128-Y147 PolarHBondContact O-N 3.47Å |
| 129 | V | 89.6 | Confident | 87.7 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.012 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 135.1 | 179.4 | -176.7 | 0 | 0 | 0 | 0 | 110.5 | L120 L123 I144 G145 I146 | L120-V129 HydrophobicContact CD1-CG1 3.93Å; L120-V129 HydrophobicContact CD1-CG2 3.99Å; L123-V129 HydrophobicContact CD1-CG2 3.17Å; V129-I144 HydrophobicContact CG1-CB 4.24Å; V129-I144 HydrophobicContact CG1-CD1 4.44Å; V129-G145 CarbonylContact C-O 3.53Å; V129-G145 WeakPolarHBondContact CA-O 3.46Å; V129-I146 HydrophobicContact CG2-CG1 4.34Å |
| 130 | I | 90.4 | Very high | 87.7 | Confident | 39 Ų | 39 | 56.7 Ų | 56.7 | 20% | 0.2 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 146.6 | 168.9 | 57.5 | 175.6 | 0 | 0 | 0 | 111.4 | Y92 F128 L132 I144 G145 Y147 F154 | Y92-I130 VanDerWaalsContact OH-CA 3.25Å; Y92-I130 WeakPolarHBondContact OH-CA 3.44Å; F128-I130 HydrophobicContact CD1-CG2 3.84Å; F128-I130 HydrophobicContact CE1-CG2 3.18Å; F128-I130 HydrophobicContact CZ-CG2 4.05Å; I130-L132 HydrophobicContact CD1-CD2 3.48Å; I130-L132 VanDerWaalsContact CD1-CD2 3.48Å; I130-L132 HydrophobicContact CD1-CG 4.41Å; I130-L132 HydrophobicContact CG1-CD2 3.88Å; I130-L132 HydrophobicContact CG1-CG 4.3Å; I130-I144 CarbonylContact O-C 3.56Å; I130-I144 WeakPolarHBondContact O-CA 3.41Å; I130-I144 WeakPolarHBondContact O-CB 3.26Å; I130-G145 PolarHBondContact N-O 3.34Å; I130-G145 PolarHBondContact O-N 3.49Å; I130-Y147 HydrophobicContact CD1-CE2 3.81Å; I130-Y147 HydrophobicContact CG1-CE2 4.13Å; I130-Y147 HydrophobicContact CG2-CE2 4.42Å; I130-F154 HydrophobicContact CD1-CD1 4.28Å; I130-F154 HydrophobicContact CD1-CE1 4.46Å |
| 131 | V | 93.9 | Very high | 88 | Confident | 29 Ų | 29 | 56.7 Ų | 56.7 | 18% | 0.176 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 121.4 | 165.2 | 174.6 | 0 | 0 | 0 | 0 | 107.1 | W81 L90 Y92 L103 F134 V142 | W81-V131 HydrophobicContact CH2-CG2 4.45Å; W81-V131 HydrophobicContact CZ3-CG2 4.22Å; L90-V131 HydrophobicContact CD2-CG2 3.97Å; Y92-V131 PolarHBondContact OH-N 3.05Å; L103-V131 HydrophobicContact CD1-CG2 4.12Å; V131-F134 HydrophobicContact CG1-CE2 3.8Å; V131-F134 HydrophobicContact CG1-CZ 3.82Å; V131-V142 HydrophobicContact CG1-CG2 3.83Å |
| 132 | L | 93.5 | Very high | 88.7 | Confident | 54 Ų | 54 | 52.8 Ų | 52.8 | 28% | 0.283 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -28.8 | -178.7 | -64.9 | 172.2 | 0 | 0 | 0 | 111.9 | I130 L143 I144 F154 A156 F180 | I130-L132 HydrophobicContact CD1-CD2 3.48Å; I130-L132 VanDerWaalsContact CD1-CD2 3.48Å; I130-L132 HydrophobicContact CD1-CG 4.41Å; I130-L132 HydrophobicContact CG1-CD2 3.88Å; I130-L132 HydrophobicContact CG1-CG 4.3Å; L132-L143 HydrophobicContact CB-CB 4.29Å; L132-L143 HydrophobicContact CB-CD2 3.92Å; L132-L143 HydrophobicContact CB-CG 3.87Å; L132-L143 HydrophobicContact CD1-CD2 4.33Å; L132-L143 HydrophobicContact CD1-CG 4.05Å; L132-L143 PolarHBondContact N-O 3.18Å; L132-I144 VanDerWaalsContact CD1-C 3.47Å; L132-F154 HydrophobicContact CD1-CD2 4.04Å; L132-F154 HydrophobicContact CD1-CE2 3.44Å; L132-F154 VanDerWaalsContact CD1-CE2 3.44Å; L132-F154 HydrophobicContact CD1-CZ 4.07Å; L132-F154 HydrophobicContact CD2-CE1 4.39Å; L132-F154 HydrophobicContact CD2-CE2 4.02Å; L132-F154 HydrophobicContact CD2-CZ 3.84Å; L132-F154 HydrophobicContact CG-CE2 4.38Å; L132-A156 HydrophobicContact CD1-CB 3.83Å; L132-F180 HydrophobicContact CD1-CE2 3.93Å; L132-F180 HydrophobicContact CD1-CZ 4.44Å |
| 133 | G | 92.4 | Very high | 89.4 | Confident | 23 Ų | 23 | 43.5 Ų | 43.5 | 24% | 0.237 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.8 | 164.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L143 | G133-L143 PolarHBondContact N-O 2.82Å; G133-L143 PolarHBondContact O-N 2.94Å |
| 134 | F | 92.4 | Very high | 90 | Very high | 52 Ų | 52 | 41.2 Ų | 41.2 | 23% | 0.228 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 150.3 | 174.6 | -61.4 | -88.2 | 0 | 0 | 0 | 109.4 | W81 M83 L90 V131 V142 | W81-F134 HydrophobicContact CB-CE1 4.16Å; W81-F134 HydrophobicContact CB-CE2 4.19Å; W81-F134 HydrophobicContact CB-CZ 3.54Å; W81-F134 AromaticContact CD1-CE2 3.8Å; W81-F134 AromaticContact CD1-CZ 3.96Å; W81-F134 HydrophobicContact CD2-CE2 4.29Å; W81-F134 AromaticContact CD2-CZ 3.87Å; W81-F134 HydrophobicContact CD2-CZ 3.87Å; W81-F134 HydrophobicContact CE3-CZ 4.36Å; W81-F134 AromaticContact CG-CE2 3.82Å; W81-F134 HydrophobicContact CG-CE2 3.82Å; W81-F134 AromaticContact CG-CZ 3.49Å; W81-F134 HydrophobicContact CG-CZ 3.49Å; W81-F134 VanDerWaalsContact CG-CZ 3.49Å; M83-F134 HydrophobicContact CE-CD1 4Å; M83-F134 HydrophobicContact CE-CE1 4.29Å; M83-F134 HydrophobicContact SD-CD1 4.04Å; M83-F134 HydrophobicContact SD-CE1 3.75Å; L90-F134 HydrophobicContact CD2-CE1 4.1Å; L90-F134 HydrophobicContact CD2-CZ 4.32Å; V131-F134 HydrophobicContact CG1-CE2 3.8Å; V131-F134 HydrophobicContact CG1-CZ 3.82Å; F134-V142 HydrophobicContact CD1-CG2 4.11Å; F134-V142 HydrophobicContact CE1-CG2 3.92Å; F134-V142 HydrophobicContact CZ-CG2 4.46Å |
| 135 | S | 89.7 | Confident | 90.4 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.007 | 22% | 0.218 | C | C | . | . | trans | -113.1 | 136 | 178.6 | 179.4 | 0 | 0 | 0 | 0 | 111.5 | N84 I137 K138 Y182 | N84-S135 VanDerWaalsContact ND2-C 3.34Å; N84-S135 PolarHBondContact ND2-O 3.1Å; S135-I137 VanDerWaalsContact C-N 3.32Å; S135-I137 PolarHBondContact OG-N 3.24Å; S135-K138 PolarHBondContact OG-N 2.79Å; S135-Y182 WeakPolarHBondContact CB-O 3.49Å; S135-Y182 PolarHBondContact OG-O 2.93Å | ||
| 136 | H | 85.9 | Confident | 90.8 | Very high | 57 Ų | 57 | 33.5 Ų | 33.5 | 26% | 0.264 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -82.5 | -13.8 | 167.9 | 68.2 | -91.6 | 0 | 0 | 0 | 112.1 | V139 Y182 N238 F287 | H136-V139 WeakPolarHBondContact O-CG1 3.31Å; H136-Y182 AromaticContact CE1-CD2 3.86Å; H136-Y182 AromaticContact CE1-CG 3.53Å; H136-Y182 AromaticContact ND1-CD1 3.6Å; H136-Y182 AromaticContact ND1-CG 3.57Å; H136-N238 PolarHBondContact CE1-OD1 3.39Å; H136-N238 PolarHBondContact NE2-OD1 2.9Å; H136-F287 AromaticContact CE1-CE2 3.77Å; H136-F287 AromaticContact ND1-CE2 3.82Å; H136-F287 AromaticContact ND1-CZ 3.87Å |
| 137 | I | 88.2 | Confident | 91.2 | Very high | 92 Ų | 92 | 33.8 Ų | 33.8 | 47% | 0.472 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -90.7 | -52.1 | 177 | -56.3 | 173.1 | 0 | 0 | 0 | 109.7 | S135 V139 D183 | S135-I137 VanDerWaalsContact C-N 3.32Å; S135-I137 PolarHBondContact OG-N 3.24Å; I137-V139 PolarHBondContact O-N 3.09Å; I137-D183 VanDerWaalsContact CD1-OD1 3.25Å; I137-D183 WeakPolarHBondContact CD1-OD1 3.49Å |
| 138 | K | 90.8 | Very high | 91.3 | Very high | 87 Ų | 87 | 35 Ų | 35 | 38% | 0.378 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -95.3 | 62.9 | 178.1 | -58.7 | 174.1 | -175.1 | -74.3 | 0 | 110.2 | S135 D140 S141 D183 F184 | S135-K138 PolarHBondContact OG-N 2.79Å; K138-D140 PolarHBondContact O-N 3.46Å; K138-S141 PolarHBondContact O-N 2.9Å; K138-D183 WeakPolarHBondContact CE-O 3.47Å; K138-F184 HydrophobicContact CB-CE2 4.27Å; K138-F184 HydrophobicContact CD-CD2 3.75Å; K138-F184 HydrophobicContact CD-CE2 3.95Å; K138-F184 HydrophobicContact CD-CG 4.44Å |
| 139 | V | 91.4 | Very high | 91.3 | Very high | 61 Ų | 61 | 33.9 Ų | 33.9 | 37% | 0.37 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -19.8 | -171 | -61.8 | 0 | 0 | 0 | 0 | 115.1 | N84 H136 I137 | N84-V139 HydrophobicContact CB-CB 4.37Å; N84-V139 HydrophobicContact CB-CG1 4.17Å; H136-V139 WeakPolarHBondContact O-CG1 3.31Å; I137-V139 PolarHBondContact O-N 3.09Å |
| 140 | D | 92.6 | Very high | 90.8 | Very high | 46 Ų | 46 | 40.3 Ų | 40.3 | 25% | 0.246 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 0.3 | 178.9 | 72.8 | -20 | 0 | 0 | 0 | 113.7 | K138 N160 L161 N162 | K138-D140 PolarHBondContact O-N 3.46Å; D140-N160 VanDerWaalsContact CG-ND2 3.34Å; D140-N160 PolarHBondContact OD2-ND2 3.39Å; D140-L161 WeakPolarHBondContact O-CB 3.2Å; D140-L161 PolarHBondContact O-N 2.97Å; D140-N162 WeakPolarHBondContact CB-ND2 3.31Å; D140-N162 PolarHBondContact OD2-ND2 2.84Å; D140-N162 VanDerWaalsContact OD2-ND2 3.08Å |
| 141 | S | 94.5 | Very high | 90.5 | Very high | 12 Ų | 12 | 40.6 Ų | 40.6 | 8% | 0.084 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 150.7 | -171.8 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | K138 L159 N160 | K138-S141 PolarHBondContact O-N 2.9Å; S141-L159 CarbonylContact C-O 3.53Å; S141-L159 WeakPolarHBondContact CA-O 3.27Å; S141-N160 PolarHBondContact OG-ND2 3.36Å |
| 142 | V | 95.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 138.7 | 175.7 | 59 | 0 | 0 | 0 | 0 | 109.5 | L90 V131 F134 I144 L159 L161 | L90-V142 HydrophobicContact CD2-CB 4.24Å; L90-V142 HydrophobicContact CD2-CG1 4Å; L90-V142 HydrophobicContact CD2-CG2 3.82Å; V131-V142 HydrophobicContact CG1-CG2 3.83Å; F134-V142 HydrophobicContact CD1-CG2 4.11Å; F134-V142 HydrophobicContact CE1-CG2 3.92Å; F134-V142 HydrophobicContact CZ-CG2 4.46Å; V142-I144 HydrophobicContact CG1-CG2 4.12Å; V142-I144 HydrophobicContact CG2-CG2 4.27Å; V142-L159 HydrophobicContact CG1-CB 3.94Å; V142-L159 HydrophobicContact CG1-CD2 4.06Å; V142-L159 HydrophobicContact CG1-CG 4.27Å; V142-L159 PolarHBondContact N-O 3.13Å; V142-L159 PolarHBondContact O-N 2.91Å; V142-L161 HydrophobicContact CG1-CD2 4.26Å |
| 143 | L | 97 | Very high | 89.4 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 126.8 | 173.4 | -173.4 | 64.4 | 0 | 0 | 0 | 109.2 | L132 G133 A156 Y157 I169 F180 F184 | L132-L143 HydrophobicContact CB-CB 4.29Å; L132-L143 HydrophobicContact CB-CD2 3.92Å; L132-L143 HydrophobicContact CB-CG 3.87Å; L132-L143 HydrophobicContact CD1-CD2 4.33Å; L132-L143 HydrophobicContact CD1-CG 4.05Å; L132-L143 PolarHBondContact N-O 3.18Å; G133-L143 PolarHBondContact N-O 2.82Å; G133-L143 PolarHBondContact O-N 2.94Å; L143-A156 HydrophobicContact CD1-CB 4.37Å; L143-Y157 WeakPolarHBondContact CD1-O 3.32Å; L143-I169 HydrophobicContact CD1-CB 4.42Å; L143-I169 HydrophobicContact CD1-CG1 4.23Å; L143-I169 HydrophobicContact CD1-CG2 4.39Å; L143-F180 HydrophobicContact CD2-CB 3.51Å; L143-F180 HydrophobicContact CD2-CD1 3.74Å; L143-F180 HydrophobicContact CD2-CD2 3.52Å; L143-F180 HydrophobicContact CD2-CE1 4.31Å; L143-F180 HydrophobicContact CD2-CE2 4.12Å; L143-F180 HydrophobicContact CD2-CG 3.31Å; L143-F180 HydrophobicContact CD2-CZ 4.49Å; L143-F184 HydrophobicContact CB-CD1 3.62Å; L143-F184 HydrophobicContact CB-CD2 4.39Å; L143-F184 HydrophobicContact CB-CE1 3.64Å; L143-F184 HydrophobicContact CB-CE2 4.41Å; L143-F184 HydrophobicContact CB-CG 4Å; L143-F184 HydrophobicContact CB-CZ 4.05Å; L143-F184 HydrophobicContact CD1-CB 4Å; L143-F184 HydrophobicContact CD1-CD1 4.49Å; L143-F184 HydrophobicContact CD1-CG 4.14Å; L143-F184 HydrophobicContact CD2-CB 4.34Å; L143-F184 HydrophobicContact CD2-CD1 4.08Å; L143-F184 HydrophobicContact CD2-CG 4.42Å; L143-F184 HydrophobicContact CG-CD1 4.26Å; L143-F184 HydrophobicContact CG-CG 4.4Å |
| 144 | I | 95.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 148.9 | -178.8 | 59.7 | 166.9 | 0 | 0 | 0 | 111.1 | L103 L120 V129 I130 L132 V142 I146 A156 Y157 L159 | L103-I144 HydrophobicContact CD2-CG2 3.95Å; L120-I144 HydrophobicContact CD1-CD1 3.7Å; L120-I144 HydrophobicContact CD2-CD1 3.62Å; L120-I144 HydrophobicContact CG-CD1 4.17Å; V129-I144 HydrophobicContact CG1-CB 4.24Å; V129-I144 HydrophobicContact CG1-CD1 4.44Å; I130-I144 CarbonylContact O-C 3.56Å; I130-I144 WeakPolarHBondContact O-CA 3.41Å; I130-I144 WeakPolarHBondContact O-CB 3.26Å; L132-I144 VanDerWaalsContact CD1-C 3.47Å; V142-I144 HydrophobicContact CG1-CG2 4.12Å; V142-I144 HydrophobicContact CG2-CG2 4.27Å; I144-I146 HydrophobicContact CD1-CD1 4.06Å; I144-I146 HydrophobicContact CD1-CG1 4.19Å; I144-A156 CarbonylContact O-C 3.59Å; I144-A156 VanDerWaalsContact O-CA 3.28Å; I144-A156 WeakPolarHBondContact O-CA 3.29Å; I144-Y157 WeakPolarHBondContact CG1-O 3.42Å; I144-Y157 PolarHBondContact N-O 2.62Å; I144-Y157 PolarHBondContact O-N 3.03Å; I144-L159 HydrophobicContact CD1-CB 4.07Å; I144-L159 HydrophobicContact CD1-CD2 4.28Å; I144-L159 HydrophobicContact CG1-CB 4.31Å |
| 145 | G | 93 | Very high | 89.2 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 135.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | V129 I130 D155 | V129-G145 CarbonylContact C-O 3.53Å; V129-G145 WeakPolarHBondContact CA-O 3.46Å; I130-G145 PolarHBondContact N-O 3.34Å; I130-G145 PolarHBondContact O-N 3.49Å; G145-D155 CarbonylContact C-O 3.53Å; G145-D155 WeakPolarHBondContact CA-O 3.49Å |
| 146 | I | 92 | Very high | 89.5 | Confident | 14 Ų | 14 | 41.5 Ų | 41.5 | 7% | 0.072 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 117.6 | 176.3 | -55.3 | -179.6 | 0 | 0 | 0 | 108.5 | L123 V129 I144 F154 D155 Y157 K166 | L123-I146 HydrophobicContact CD1-CG2 4.06Å; L123-I146 HydrophobicContact CD2-CD1 4.25Å; L123-I146 HydrophobicContact CD2-CG2 4.25Å; V129-I146 HydrophobicContact CG2-CG1 4.34Å; I144-I146 HydrophobicContact CD1-CD1 4.06Å; I144-I146 HydrophobicContact CD1-CG1 4.19Å; I146-F154 WeakPolarHBondContact O-CA 3.22Å; I146-D155 PolarHBondContact N-O 2.98Å; I146-D155 PolarHBondContact O-N 3.07Å; I146-Y157 HydrophobicContact CB-CD2 4.34Å; I146-Y157 HydrophobicContact CB-CE2 4.06Å; I146-Y157 HydrophobicContact CD1-CD2 3.7Å; I146-Y157 HydrophobicContact CD1-CE2 3.84Å; I146-Y157 HydrophobicContact CD1-CG 4.43Å; I146-Y157 HydrophobicContact CG1-CD2 3.89Å; I146-Y157 HydrophobicContact CG1-CE2 4.07Å; I146-K166 HydrophobicContact CD1-CD 3.89Å; I146-K166 VanDerWaalsContact CD1-NZ 3.28Å |
| 147 | Y | 88.3 | Confident | 90 | Very high | 48 Ų | 48 | 40.6 Ų | 40.6 | 19% | 0.188 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 131.1 | 169.3 | -67.1 | -99.3 | 0 | 0 | 0 | 109.2 | S127 F128 I130 S151 S153 F154 | S127-Y147 WeakPolarHBondContact CA-O 3.15Å; S127-Y147 VanDerWaalsContact CB-O 3.22Å; S127-Y147 WeakPolarHBondContact CB-O 3.19Å; S127-Y147 PolarHBondContact OG-O 3.02Å; F128-Y147 AromaticContact CD1-CD2 3.94Å; F128-Y147 HydrophobicContact CD1-CD2 3.94Å; F128-Y147 HydrophobicContact CD1-CE2 4.34Å; F128-Y147 PolarHBondContact N-O 2.92Å; F128-Y147 PolarHBondContact O-N 3.47Å; I130-Y147 HydrophobicContact CD1-CE2 3.81Å; I130-Y147 HydrophobicContact CG1-CE2 4.13Å; I130-Y147 HydrophobicContact CG2-CE2 4.42Å; Y147-S151 WeakPolarHBondContact CD1-O 3.45Å; Y147-S153 WeakPolarHBondContact CD1-O 3.48Å; Y147-S153 VanDerWaalsContact CE1-C 3.44Å; Y147-F154 HydrophobicContact CD1-CB 4.19Å; Y147-F154 HydrophobicContact CD2-CB 3.78Å; Y147-F154 HydrophobicContact CE1-CB 4.07Å; Y147-F154 HydrophobicContact CE1-CD1 4.35Å; Y147-F154 HydrophobicContact CE2-CB 3.65Å; Y147-F154 HydrophobicContact CE2-CD1 4.08Å; Y147-F154 HydrophobicContact CE2-CG 4.22Å; Y147-F154 HydrophobicContact CG-CB 4.06Å; Y147-F154 AromaticContact CZ-CD1 3.7Å; Y147-F154 WeakPolarHBondContact OH-CD1 3.33Å |
| 148 | G | 86.7 | Confident | 90.4 | Very high | 29 Ų | 29 | 37 Ų | 37 | 30% | 0.299 | 21% | 0.205 | S | C | . | . | P | Polyproline II helix | trans | -64.6 | 167.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | N150 S151 | G148-N150 PolarHBondContact O-N 2.99Å; G148-S151 VanDerWaalsContact O-CB 3.3Å; G148-S151 WeakPolarHBondContact O-CB 3.38Å; G148-S151 PolarHBondContact O-N 2.97Å; G148-S151 VanDerWaalsContact O-N 3.09Å |
| 149 | P | 84.5 | Confident | 90.6 | Very high | 64 Ų | 64 | 32.8 Ų | 32.8 | 42% | 0.416 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | 127.5 | 173.4 | -21.1 | 33.6 | 0 | 0 | 0 | 110.6 | P124 A125 S127 S151 | P124-P149 HydrophobicContact CB-CG 4.01Å; A125-P149 VanDerWaalsContact O-CG 3.27Å; A125-P149 WeakPolarHBondContact O-CG 3.43Å; S127-P149 WeakPolarHBondContact OG-CD 3.31Å; P149-S151 PolarHBondContact O-N 2.97Å; P149-S151 VanDerWaalsContact O-N 3.12Å |
| 150 | N | 79.1 | Confident | 90.8 | Very high | 137 Ų | 137 | 31.5 Ų | 31.5 | 73% | 0.733 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 21.3 | -178.6 | -50.9 | -41 | 0 | 0 | 0 | 114.9 | G148 | G148-N150 PolarHBondContact O-N 2.99Š|
| 151 | S | 83.2 | Confident | 90.8 | Very high | 44 Ų | 44 | 29.4 Ų | 29.4 | 31% | 0.308 | 17% | 0.166 | S | C | . | . | trans | -79.5 | 136.3 | 178.3 | -168.4 | 0 | 0 | 0 | 0 | 111 | Y147 G148 P149 S153 | Y147-S151 WeakPolarHBondContact CD1-O 3.45Å; G148-S151 VanDerWaalsContact O-CB 3.3Å; G148-S151 WeakPolarHBondContact O-CB 3.38Å; G148-S151 PolarHBondContact O-N 2.97Å; G148-S151 VanDerWaalsContact O-N 3.09Å; P149-S151 PolarHBondContact O-N 2.97Å; P149-S151 VanDerWaalsContact O-N 3.12Å; S151-S153 VanDerWaalsContact C-N 3.26Å; S151-S153 WeakPolarHBondContact CB-O 3.28Å; S151-S153 PolarHBondContact OG-N 3.46Å; S151-S153 PolarHBondContact OG-O 3.2Å | ||
| 152 | E | 80.5 | Confident | 90.6 | Very high | 100 Ų | 100 | 32.9 Ų | 32.9 | 47% | 0.467 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -81.3 | -9.1 | 172 | -65.9 | 177.3 | -164.9 | 0 | 0 | 112.5 | I537 L540 P541 | E152-I537 HydrophobicContact CG-CG2 3.9Å; E152-L540 WeakPolarHBondContact OE1-CD1 3.09Å; E152-P541 HydrophobicContact CB-CG 4.39Å |
| 153 | S | 84.2 | Confident | 90.5 | Very high | 27 Ų | 27 | 36.7 Ų | 36.7 | 19% | 0.189 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -138.5 | 160.9 | -176 | 66.7 | 0 | 0 | 0 | 0 | 112.9 | Y147 S151 S172 | Y147-S153 WeakPolarHBondContact CD1-O 3.48Å; Y147-S153 VanDerWaalsContact CE1-C 3.44Å; S151-S153 VanDerWaalsContact C-N 3.26Å; S151-S153 WeakPolarHBondContact CB-O 3.28Å; S151-S153 PolarHBondContact OG-N 3.46Å; S151-S153 PolarHBondContact OG-O 3.2Å; S153-S172 WeakPolarHBondContact CB-OG 3.37Å; S153-S172 WeakPolarHBondContact OG-CB 3.39Å; S153-S172 PolarHBondContact OG-OG 3.21Å |
| 154 | F | 88.7 | Confident | 90.3 | Very high | 9 Ų | 9 | 39 Ų | 39 | 4% | 0.039 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 149.7 | -177.4 | 68.1 | -90.9 | 0 | 0 | 0 | 112.7 | I130 L132 I146 Y147 A156 S172 V178 F180 | I130-F154 HydrophobicContact CD1-CD1 4.28Å; I130-F154 HydrophobicContact CD1-CE1 4.46Å; L132-F154 HydrophobicContact CD1-CD2 4.04Å; L132-F154 HydrophobicContact CD1-CE2 3.44Å; L132-F154 VanDerWaalsContact CD1-CE2 3.44Å; L132-F154 HydrophobicContact CD1-CZ 4.07Å; L132-F154 HydrophobicContact CD2-CE1 4.39Å; L132-F154 HydrophobicContact CD2-CE2 4.02Å; L132-F154 HydrophobicContact CD2-CZ 3.84Å; L132-F154 HydrophobicContact CG-CE2 4.38Å; I146-F154 WeakPolarHBondContact O-CA 3.22Å; Y147-F154 HydrophobicContact CD1-CB 4.19Å; Y147-F154 HydrophobicContact CD2-CB 3.78Å; Y147-F154 HydrophobicContact CE1-CB 4.07Å; Y147-F154 HydrophobicContact CE1-CD1 4.35Å; Y147-F154 HydrophobicContact CE2-CB 3.65Å; Y147-F154 HydrophobicContact CE2-CD1 4.08Å; Y147-F154 HydrophobicContact CE2-CG 4.22Å; Y147-F154 HydrophobicContact CG-CB 4.06Å; Y147-F154 AromaticContact CZ-CD1 3.7Å; Y147-F154 WeakPolarHBondContact OH-CD1 3.33Å; F154-A156 HydrophobicContact CD2-CB 4.22Å; F154-A156 HydrophobicContact CE2-CB 3.93Å; F154-S172 WeakPolarHBondContact O-CB 3.45Å; F154-V178 HydrophobicContact CZ-CB 4.18Å; F154-V178 HydrophobicContact CZ-CG2 4.37Å; F154-F180 HydrophobicContact CE2-CE2 4.34Å; F154-F180 HydrophobicContact CE2-CZ 4.44Å; F154-F180 HydrophobicContact CZ-CE2 4.47Å |
| 155 | D | 92.5 | Very high | 90.3 | Very high | 42 Ų | 42 | 45.5 Ų | 45.5 | 23% | 0.225 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 135.5 | 160.4 | -71.1 | -19.6 | 0 | 0 | 0 | 109 | G145 I146 Y157 L168 F170 K171 S172 | G145-D155 CarbonylContact C-O 3.53Å; G145-D155 WeakPolarHBondContact CA-O 3.49Å; I146-D155 PolarHBondContact N-O 2.98Å; I146-D155 PolarHBondContact O-N 3.07Å; D155-Y157 HydrophobicContact CB-CD2 4.36Å; D155-Y157 HydrophobicContact CB-CE2 3.42Å; D155-Y157 VanDerWaalsContact CB-CE2 3.42Å; D155-Y157 WeakPolarHBondContact O-CD2 3.27Å; D155-Y157 WeakPolarHBondContact O-CE2 3.15Å; D155-Y157 PolarHBondContact OD2-OH 3.27Å; D155-L168 HydrophobicContact CB-CD1 4.18Å; D155-F170 CarbonylContact C-O 3.52Å; D155-K171 WeakPolarHBondContact OD1-CA 3.25Å; D155-K171 WeakPolarHBondContact OD1-CG 3.34Å; D155-S172 PolarHBondContact OD1-N 3.14Å |
| 156 | A | 94.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 136.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L132 L143 I144 F154 I169 F170 F180 | L132-A156 HydrophobicContact CD1-CB 3.83Å; L143-A156 HydrophobicContact CD1-CB 4.37Å; I144-A156 CarbonylContact O-C 3.59Å; I144-A156 VanDerWaalsContact O-CA 3.28Å; I144-A156 WeakPolarHBondContact O-CA 3.29Å; F154-A156 HydrophobicContact CD2-CB 4.22Å; F154-A156 HydrophobicContact CE2-CB 3.93Å; A156-I169 PolarHBondContact O-N 3.38Å; A156-F170 HydrophobicContact CB-CB 4.11Å; A156-F170 PolarHBondContact N-O 3.31Å; A156-F170 PolarHBondContact O-N 3.35Å; A156-F180 HydrophobicContact CB-CE1 3.93Å; A156-F180 HydrophobicContact CB-CE2 4.27Å; A156-F180 HydrophobicContact CB-CZ 3.45Å; A156-F180 VanDerWaalsContact CB-CZ 3.45Å |
| 157 | Y | 96.2 | Very high | 90.6 | Very high | 39 Ų | 39 | 53.2 Ų | 53.2 | 15% | 0.153 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 141.2 | -179.7 | -57.3 | -100.5 | 0 | 0 | 0 | 111.4 | L143 I144 I146 D155 K166 T167 L168 | L143-Y157 WeakPolarHBondContact CD1-O 3.32Å; I144-Y157 WeakPolarHBondContact CG1-O 3.42Å; I144-Y157 PolarHBondContact N-O 2.62Å; I144-Y157 PolarHBondContact O-N 3.03Å; I146-Y157 HydrophobicContact CB-CD2 4.34Å; I146-Y157 HydrophobicContact CB-CE2 4.06Å; I146-Y157 HydrophobicContact CD1-CD2 3.7Å; I146-Y157 HydrophobicContact CD1-CE2 3.84Å; I146-Y157 HydrophobicContact CD1-CG 4.43Å; I146-Y157 HydrophobicContact CG1-CD2 3.89Å; I146-Y157 HydrophobicContact CG1-CE2 4.07Å; D155-Y157 HydrophobicContact CB-CD2 4.36Å; D155-Y157 HydrophobicContact CB-CE2 3.42Å; D155-Y157 VanDerWaalsContact CB-CE2 3.42Å; D155-Y157 WeakPolarHBondContact O-CD2 3.27Å; D155-Y157 WeakPolarHBondContact O-CE2 3.15Å; D155-Y157 PolarHBondContact OD2-OH 3.27Å; Y157-K166 HydrophobicContact CD1-CB 4.31Å; Y157-K166 HydrophobicContact CD1-CD 3.9Å; Y157-K166 HydrophobicContact CD1-CG 3.88Å; Y157-K166 HydrophobicContact CE1-CD 4.33Å; Y157-K166 HydrophobicContact CG-CB 4.43Å; Y157-K166 HydrophobicContact CG-CD 4.07Å; Y157-K166 HydrophobicContact CG-CG 4.32Å; Y157-T167 CarbonylContact C-O 3.5Å; Y157-T167 WeakPolarHBondContact CA-O 3.43Å; Y157-T167 WeakPolarHBondContact CB-O 3.28Å; Y157-L168 HydrophobicContact CD1-CB 4.06Å; Y157-L168 HydrophobicContact CD1-CD1 4.1Å; Y157-L168 HydrophobicContact CE1-CB 3.9Å; Y157-L168 HydrophobicContact CE1-CD1 3.58Å; Y157-L168 HydrophobicContact CE1-CG 4.35Å; Y157-L168 HydrophobicContact CE2-CD1 4.24Å |
| 158 | A | 96.8 | Very high | 90.9 | Very high | 15 Ų | 15 | 54.9 Ų | 54.9 | 12% | 0.124 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 115.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | K166 T167 I169 F184 | A158-K166 CarbonylContact O-C 3.51Å; A158-K166 VanDerWaalsContact O-CA 3.29Å; A158-K166 WeakPolarHBondContact O-CA 3.29Å; A158-T167 PolarHBondContact N-O 2.76Å; A158-T167 PolarHBondContact O-N 3.4Å; A158-I169 HydrophobicContact CB-CD1 3.84Å; A158-I169 HydrophobicContact CB-CG1 3.74Å; A158-F184 HydrophobicContact CB-CD2 3.78Å; A158-F184 HydrophobicContact CB-CE2 4.22Å |
| 159 | L | 96.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 115.7 | 177.3 | 173.6 | 63.9 | 0 | 0 | 0 | 110.1 | L103 A119 L120 S141 V142 I144 L161 K166 | L103-L159 HydrophobicContact CD2-CD2 3.92Å; A119-L159 HydrophobicContact CB-CD2 3.95Å; A119-L159 VanDerWaalsContact O-CD1 3.32Å; A119-L159 WeakPolarHBondContact O-CD1 3.44Å; A119-L159 WeakPolarHBondContact O-CD2 3.46Å; L120-L159 HydrophobicContact CD2-CD1 3.84Å; L120-L159 HydrophobicContact CD2-CD2 3.88Å; L120-L159 HydrophobicContact CD2-CG 4.38Å; L120-L159 HydrophobicContact CG-CD2 3.88Å; S141-L159 CarbonylContact C-O 3.53Å; S141-L159 WeakPolarHBondContact CA-O 3.27Å; V142-L159 HydrophobicContact CG1-CB 3.94Å; V142-L159 HydrophobicContact CG1-CD2 4.06Å; V142-L159 HydrophobicContact CG1-CG 4.27Å; V142-L159 PolarHBondContact N-O 3.13Å; V142-L159 PolarHBondContact O-N 2.91Å; I144-L159 HydrophobicContact CD1-CB 4.07Å; I144-L159 HydrophobicContact CD1-CD2 4.28Å; I144-L159 HydrophobicContact CG1-CB 4.31Å; L159-L161 HydrophobicContact CD2-CD2 4.07Å; L159-L161 HydrophobicContact CG-CD2 4.16Å; L159-K166 HydrophobicContact CD1-CB 4.14Å |
| 160 | N | 94.8 | Very high | 91.6 | Very high | 34 Ų | 34 | 54 Ų | 54 | 18% | 0.182 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 122.1 | 175.7 | -173.9 | -73.9 | 0 | 0 | 0 | 110.7 | D140 S141 N162 T163 M164 Q165 | D140-N160 VanDerWaalsContact CG-ND2 3.34Å; D140-N160 PolarHBondContact OD2-ND2 3.39Å; S141-N160 PolarHBondContact OG-ND2 3.36Å; N160-N162 VanDerWaalsContact C-N 3.33Å; N160-N162 PolarHBondContact O-N 3.36Å; N160-N162 WeakPolarHBondContact OD1-CA 3.36Å; N160-N162 VanDerWaalsContact OD1-CB 3.27Å; N160-N162 WeakPolarHBondContact OD1-CB 3.45Å; N160-N162 PolarHBondContact OD1-N 2.9Å; N160-T163 PolarHBondContact OD1-N 3.25Å; N160-T163 PolarHBondContact OD1-OG1 2.94Å; N160-M164 WeakPolarHBondContact O-CA 3.41Å; N160-M164 PolarHBondContact O-N 3.5Å; N160-Q165 PolarHBondContact N-O 3.32Å |
| 161 | L | 92.7 | Very high | 92.1 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -5.7 | -175.5 | -59.4 | -177.6 | 0 | 0 | 0 | 114.3 | M83 L90 R117 A119 D140 V142 L159 M164 | M83-L161 HydrophobicContact CE-CD1 3.65Å; M83-L161 HydrophobicContact CG-CD1 3.83Å; M83-L161 HydrophobicContact SD-CD1 3.58Å; M83-L161 VanDerWaalsContact SD-CD1 3.58Å; L90-L161 HydrophobicContact CD1-CD1 4.34Å; L90-L161 HydrophobicContact CD1-CD2 4.03Å; R117-L161 PolarHBondContact NH2-O 2.77Å; A119-L161 HydrophobicContact CB-CD2 4.21Å; D140-L161 WeakPolarHBondContact O-CB 3.2Å; D140-L161 PolarHBondContact O-N 2.97Å; V142-L161 HydrophobicContact CG1-CD2 4.26Å; L159-L161 HydrophobicContact CD2-CD2 4.07Å; L159-L161 HydrophobicContact CG-CD2 4.16Å; L161-M164 HydrophobicContact CD2-SD 4.44Å; L161-M164 WeakPolarHBondContact O-CE 3.45Å |
| 162 | N | 91.5 | Very high | 92 | Very high | 85 Ų | 85 | 53.7 Ų | 53.7 | 46% | 0.455 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -45 | 170.5 | -65 | -40.9 | 0 | 0 | 0 | 110.7 | R88 D140 N160 | R88-N162 PolarHBondContact NH1-OD1 3.35Å; R88-N162 PolarHBondContact NH2-OD1 3.03Å; R88-N162 VanDerWaalsContact NH2-OD1 3.12Å; D140-N162 WeakPolarHBondContact CB-ND2 3.31Å; D140-N162 PolarHBondContact OD2-ND2 2.84Å; D140-N162 VanDerWaalsContact OD2-ND2 3.08Å; N160-N162 VanDerWaalsContact C-N 3.33Å; N160-N162 PolarHBondContact O-N 3.36Å; N160-N162 WeakPolarHBondContact OD1-CA 3.36Å; N160-N162 VanDerWaalsContact OD1-CB 3.27Å; N160-N162 WeakPolarHBondContact OD1-CB 3.45Å; N160-N162 PolarHBondContact OD1-N 2.9Å |
| 163 | T | 93.6 | Very high | 91.7 | Very high | 81 Ų | 81 | 53.7 Ų | 53.7 | 50% | 0.497 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -17.5 | -176.9 | 66.1 | 0 | 0 | 0 | 0 | 113.9 | N160 Q165 | N160-T163 PolarHBondContact OD1-N 3.25Å; N160-T163 PolarHBondContact OD1-OG1 2.94Å; T163-Q165 PolarHBondContact O-N 3.28Å; T163-Q165 WeakPolarHBondContact OG1-CB 3.43Å; T163-Q165 PolarHBondContact OG1-N 2.9Å |
| 164 | M | 93 | Very high | 91.5 | Very high | 49 Ų | 49 | 55.5 Ų | 55.5 | 24% | 0.241 | 30% | 0.302 | C | S | . | . | trans | 58.7 | 20.1 | -168.7 | -53.3 | -53.6 | 173.5 | 0 | 0 | 114.2 | T105 R117 N160 L161 | T105-M164 HydrophobicContact CG2-CE 3.41Å; T105-M164 VanDerWaalsContact CG2-CE 3.41Å; T105-M164 HydrophobicContact CG2-SD 4.23Å; R117-M164 HydrophobicContact CG-CE 4.09Å; N160-M164 WeakPolarHBondContact O-CA 3.41Å; N160-M164 PolarHBondContact O-N 3.5Å; L161-M164 HydrophobicContact CD2-SD 4.44Å; L161-M164 WeakPolarHBondContact O-CE 3.45Å | ||
| 165 | Q | 94.9 | Very high | 91.3 | Very high | 137 Ų | 137 | 56.2 Ų | 56.2 | 64% | 0.64 | 31% | 0.305 | S | S | * | . | trans | -92.8 | 138.5 | 174.6 | -65.1 | -175.2 | -30.5 | 0 | 0 | 109.8 | N160 T163 | N160-Q165 PolarHBondContact N-O 3.32Å; T163-Q165 PolarHBondContact O-N 3.28Å; T163-Q165 WeakPolarHBondContact OG1-CB 3.43Å; T163-Q165 PolarHBondContact OG1-N 2.9Å | ||
| 166 | K | 94.6 | Very high | 90.7 | Very high | 83 Ų | 83 | 56 Ų | 56 | 36% | 0.361 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 136.4 | 173.2 | 73 | -176.8 | -178.8 | -176.1 | 0 | 109.8 | L120 I146 Y157 A158 L159 | L120-K166 HydrophobicContact CD2-CD 4.04Å; I146-K166 HydrophobicContact CD1-CD 3.89Å; I146-K166 VanDerWaalsContact CD1-NZ 3.28Å; Y157-K166 HydrophobicContact CD1-CB 4.31Å; Y157-K166 HydrophobicContact CD1-CD 3.9Å; Y157-K166 HydrophobicContact CD1-CG 3.88Å; Y157-K166 HydrophobicContact CE1-CD 4.33Å; Y157-K166 HydrophobicContact CG-CB 4.43Å; Y157-K166 HydrophobicContact CG-CD 4.07Å; Y157-K166 HydrophobicContact CG-CG 4.32Å; A158-K166 CarbonylContact O-C 3.51Å; A158-K166 VanDerWaalsContact O-CA 3.29Å; A158-K166 WeakPolarHBondContact O-CA 3.29Å; L159-K166 HydrophobicContact CD1-CB 4.14Å |
| 167 | T | 96.3 | Very high | 90.4 | Very high | 93 Ų | 93 | 60.5 Ų | 60.5 | 57% | 0.571 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 129.9 | 174.8 | -58.3 | 0 | 0 | 0 | 0 | 108.4 | Y157 A158 I169 | Y157-T167 CarbonylContact C-O 3.5Å; Y157-T167 WeakPolarHBondContact CA-O 3.43Å; Y157-T167 WeakPolarHBondContact CB-O 3.28Å; A158-T167 PolarHBondContact N-O 2.76Å; A158-T167 PolarHBondContact O-N 3.4Å; T167-I169 PolarHBondContact O-N 3.45Å |
| 168 | L | 95.2 | Very high | 90.3 | Very high | 84 Ų | 84 | 59.1 Ų | 59.1 | 44% | 0.44 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 129 | 176.3 | -177.8 | 69.9 | 0 | 0 | 0 | 109.4 | D155 Y157 K171 | D155-L168 HydrophobicContact CB-CD1 4.18Å; Y157-L168 HydrophobicContact CD1-CB 4.06Å; Y157-L168 HydrophobicContact CD1-CD1 4.1Å; Y157-L168 HydrophobicContact CE1-CB 3.9Å; Y157-L168 HydrophobicContact CE1-CD1 3.58Å; Y157-L168 HydrophobicContact CE1-CG 4.35Å; Y157-L168 HydrophobicContact CE2-CD1 4.24Å; L168-K171 HydrophobicContact CD2-CB 4.44Å |
| 169 | I | 93.3 | Very high | 90.2 | Very high | 60 Ų | 60 | 59.5 Ų | 59.5 | 31% | 0.308 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | -41.8 | 179.6 | -67.3 | -59.4 | 0 | 0 | 0 | 110.5 | L143 A156 A158 T167 F180 F184 | L143-I169 HydrophobicContact CD1-CB 4.42Å; L143-I169 HydrophobicContact CD1-CG1 4.23Å; L143-I169 HydrophobicContact CD1-CG2 4.39Å; A156-I169 PolarHBondContact O-N 3.38Å; A158-I169 HydrophobicContact CB-CD1 3.84Å; A158-I169 HydrophobicContact CB-CG1 3.74Å; T167-I169 PolarHBondContact O-N 3.45Å; I169-F180 HydrophobicContact CG2-CD1 4.26Å; I169-F180 HydrophobicContact CG2-CE1 3.97Å; I169-F184 WeakPolarHBondContact CG2-O 3.46Å |
| 170 | F | 91.8 | Very high | 90 | Very high | 13 Ų | 13 | 60.7 Ų | 60.7 | 6% | 0.057 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 131.5 | -179.6 | 177.7 | -90.5 | 0 | 0 | 0 | 109 | D155 A156 Y175 V178 F180 P186 I203 F217 | D155-F170 CarbonylContact C-O 3.52Å; A156-F170 HydrophobicContact CB-CB 4.11Å; A156-F170 PolarHBondContact N-O 3.31Å; A156-F170 PolarHBondContact O-N 3.35Å; F170-Y175 HydrophobicContact CZ-CD2 4.5Å; F170-V178 HydrophobicContact CD1-CG2 4.12Å; F170-V178 HydrophobicContact CE1-CG2 3.63Å; F170-V178 HydrophobicContact CZ-CG2 4.04Å; F170-F180 HydrophobicContact CB-CE1 4Å; F170-F180 HydrophobicContact CB-CZ 4.21Å; F170-P186 HydrophobicContact CD2-CB 4.04Å; F170-P186 HydrophobicContact CD2-CG 3.96Å; F170-I203 HydrophobicContact CE2-CD1 4.29Å; F170-F217 HydrophobicContact CE2-CE1 4.06Å; F170-F217 AromaticContact CE2-CZ 3.78Å; F170-F217 HydrophobicContact CE2-CZ 3.78Å; F170-F217 HydrophobicContact CZ-CE1 4.21Å; F170-F217 HydrophobicContact CZ-CZ 4Å |
| 171 | K | 89.5 | Confident | 89.8 | Confident | 146 Ų | 146 | 59.4 Ų | 59.4 | 64% | 0.635 | 32% | 0.315 | S | S | * | . | trans | -97.1 | 135.9 | 173.9 | -169.3 | 172.7 | -177.1 | 174.5 | 0 | 108.7 | D155 L168 D173 | D155-K171 WeakPolarHBondContact OD1-CA 3.25Å; D155-K171 WeakPolarHBondContact OD1-CG 3.34Å; L168-K171 HydrophobicContact CD2-CB 4.44Å; K171-D173 PolarHBondContact O-N 2.74Å | ||
| 172 | S | 81.1 | Confident | 89.6 | Confident | 29 Ų | 29 | 61.2 Ų | 61.2 | 20% | 0.203 | 32% | 0.322 | C | S | . | . | trans | -54.7 | 133.7 | 178.5 | -173.4 | 0 | 0 | 0 | 0 | 111.5 | S153 F154 D155 | S153-S172 WeakPolarHBondContact CB-OG 3.37Å; S153-S172 WeakPolarHBondContact OG-CB 3.39Å; S153-S172 PolarHBondContact OG-OG 3.21Å; F154-S172 WeakPolarHBondContact O-CB 3.45Å; D155-S172 PolarHBondContact OD1-N 3.14Å | ||
| 173 | D | 74.8 | Confident | 89.5 | Confident | 100 Ų | 100 | 59.6 Ų | 59.6 | 54% | 0.535 | 31% | 0.313 | S | S | . | . | trans | -133.8 | 46.9 | -179.3 | -165.6 | 20.1 | 0 | 0 | 0 | 111.1 | K171 Y175 F217 | K171-D173 PolarHBondContact O-N 2.74Å; D173-Y175 HydrophobicContact CB-CD2 4.18Å; D173-Y175 HydrophobicContact CB-CE2 4.33Å; D173-Y175 VanDerWaalsContact O-CD2 3.26Å; D173-Y175 WeakPolarHBondContact O-CD2 3.49Å; D173-Y175 WeakPolarHBondContact O-CE2 3.15Å; D173-Y175 PolarHBondContact O-N 3.15Å; D173-F217 HydrophobicContact CB-CZ 4.44Å; D173-F217 WeakPolarHBondContact OD2-CE2 3.41Å | ||
| 174 | G | 78.8 | Confident | 89.5 | Confident | 65 Ų | 65 | 56 Ų | 56 | 67% | 0.67 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 76.4 | -0.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 175 | Y | 84.8 | Confident | 89.4 | Confident | 25 Ų | 25 | 59.8 Ų | 59.8 | 10% | 0.098 | 30% | 0.302 | C | S | . | . | trans | -87.2 | 129.6 | 171.6 | -58.8 | -75.1 | 0 | 0 | 0 | 110.9 | F170 D173 A189 N191 F201 F217 | F170-Y175 HydrophobicContact CZ-CD2 4.5Å; D173-Y175 HydrophobicContact CB-CD2 4.18Å; D173-Y175 HydrophobicContact CB-CE2 4.33Å; D173-Y175 VanDerWaalsContact O-CD2 3.26Å; D173-Y175 WeakPolarHBondContact O-CD2 3.49Å; D173-Y175 WeakPolarHBondContact O-CE2 3.15Å; D173-Y175 PolarHBondContact O-N 3.15Å; Y175-A189 HydrophobicContact CD1-CB 3.54Å; Y175-A189 HydrophobicContact CD2-CB 3.95Å; Y175-A189 HydrophobicContact CE1-CB 4.04Å; Y175-A189 HydrophobicContact CE2-CB 4.42Å; Y175-A189 HydrophobicContact CG-CB 3.48Å; Y175-A189 VanDerWaalsContact CG-CB 3.48Å; Y175-N191 HydrophobicContact CD1-CB 4.19Å; Y175-F201 HydrophobicContact CD1-CD2 4.26Å; Y175-F201 HydrophobicContact CE1-CB 4.36Å; Y175-F201 AromaticContact CE1-CD2 3.46Å; Y175-F201 HydrophobicContact CE1-CD2 3.46Å; Y175-F201 VanDerWaalsContact CE1-CD2 3.46Å; Y175-F201 AromaticContact CE1-CE2 3.81Å; Y175-F201 HydrophobicContact CE1-CE2 3.81Å; Y175-F201 AromaticContact CE1-CG 3.9Å; Y175-F201 HydrophobicContact CE1-CG 3.9Å; Y175-F217 HydrophobicContact CD2-CD1 4.2Å; Y175-F217 AromaticContact CD2-CE1 3.71Å; Y175-F217 HydrophobicContact CD2-CE1 3.71Å; Y175-F217 HydrophobicContact CD2-CZ 4.06Å; Y175-F217 HydrophobicContact CE1-CD1 4.45Å; Y175-F217 AromaticContact CE2-CD1 3.36Å; Y175-F217 HydrophobicContact CE2-CD1 3.36Å; Y175-F217 HydrophobicContact CE2-CD2 4.07Å; Y175-F217 AromaticContact CE2-CE1 3.24Å; Y175-F217 HydrophobicContact CE2-CE1 3.24Å; Y175-F217 AromaticContact CE2-CE2 3.96Å; Y175-F217 HydrophobicContact CE2-CE2 3.96Å; Y175-F217 AromaticContact CE2-CG 3.78Å; Y175-F217 HydrophobicContact CE2-CG 3.78Å; Y175-F217 AromaticContact CE2-CZ 3.55Å; Y175-F217 HydrophobicContact CE2-CZ 3.55Å; Y175-F217 AromaticContact CZ-CD1 3.51Å; Y175-F217 AromaticContact CZ-CE1 3.9Å; Y175-F217 AromaticContact CZ-CG 3.79Å; Y175-F217 VanDerWaalsContact OH-CB 3.24Å; Y175-F217 WeakPolarHBondContact OH-CB 3.39Å; Y175-F217 WeakPolarHBondContact OH-CD1 3.47Å; Y175-F217 VanDerWaalsContact OH-CG 3.26Å; Y175-F217 WeakPolarHBondContact OH-CG 3.44Å | ||
| 176 | H | 80.3 | Confident | 89.2 | Confident | 36 Ų | 36 | 54.7 Ų | 54.7 | 17% | 0.167 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -90 | -18.5 | -177.6 | 68.4 | -96.4 | 0 | 0 | 0 | 113 | M190 P541 | H176-M190 PolarHBondContact N-O 2.94Å; H176-M190 PolarHBondContact ND1-O 3.02Å; H176-M190 WeakPolarHBondContact NE2-CE 3.48Å; H176-P541 HydrophobicContact CB-CB 3.71Å; H176-P541 HydrophobicContact CB-CG 3.99Å |
| 177 | K | 89.3 | Confident | 89.2 | Confident | 95 Ų | 95 | 51.5 Ų | 51.5 | 41% | 0.413 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 136.5 | 171.9 | -166.3 | 172.9 | -176.2 | 178.3 | 0 | 110.8 | F179 A189 M190 | K177-F179 HydrophobicContact CD-CE1 4.32Å; K177-F179 HydrophobicContact CD-CE2 4.05Å; K177-F179 HydrophobicContact CD-CZ 3.65Å; K177-F179 HydrophobicContact CG-CE2 3.97Å; K177-F179 HydrophobicContact CG-CZ 4.05Å; K177-A189 CarbonylContact O-C 3.57Å; K177-A189 WeakPolarHBondContact O-CA 3.32Å; K177-M190 HydrophobicContact CB-CB 4.28Å; K177-M190 HydrophobicContact CB-CE 3.99Å; K177-M190 HydrophobicContact CD-CE 4.11Å; K177-M190 PolarHBondContact O-N 3.32Å |
| 178 | V | 93.2 | Very high | 89 | Confident | 10 Ų | 10 | 47 Ų | 47 | 6% | 0.061 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 137.2 | 177.4 | -172.8 | 0 | 0 | 0 | 0 | 108.5 | F154 F170 F180 P186 L188 A189 I203 | F154-V178 HydrophobicContact CZ-CB 4.18Å; F154-V178 HydrophobicContact CZ-CG2 4.37Å; F170-V178 HydrophobicContact CD1-CG2 4.12Å; F170-V178 HydrophobicContact CE1-CG2 3.63Å; F170-V178 HydrophobicContact CZ-CG2 4.04Å; V178-F180 HydrophobicContact CB-CE2 3.69Å; V178-F180 HydrophobicContact CB-CZ 3.84Å; V178-F180 HydrophobicContact CG1-CD2 4.31Å; V178-F180 HydrophobicContact CG1-CE1 4.07Å; V178-F180 HydrophobicContact CG1-CE2 3.64Å; V178-F180 HydrophobicContact CG1-CZ 3.49Å; V178-F180 VanDerWaalsContact CG1-CZ 3.49Å; V178-F180 WeakPolarHBondContact O-CE2 3.38Å; V178-P186 HydrophobicContact CG1-CB 3.86Å; V178-L188 CarbonylContact C-O 3.51Å; V178-L188 WeakPolarHBondContact CA-O 3.38Å; V178-L188 WeakPolarHBondContact CG1-O 3.45Å; V178-A189 HydrophobicContact CG2-CB 4.36Å; V178-I203 HydrophobicContact CG1-CD1 3.98Å |
| 179 | F | 93.7 | Very high | 89 | Confident | 23 Ų | 23 | 43 Ų | 43 | 10% | 0.101 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 137.6 | -179.8 | -56 | -103.1 | 0 | 0 | 0 | 108.9 | K177 I187 L188 M190 Y200 P233 F236 | K177-F179 HydrophobicContact CD-CE1 4.32Å; K177-F179 HydrophobicContact CD-CE2 4.05Å; K177-F179 HydrophobicContact CD-CZ 3.65Å; K177-F179 HydrophobicContact CG-CE2 3.97Å; K177-F179 HydrophobicContact CG-CZ 4.05Å; F179-I187 PolarHBondContact O-N 3.1Å; F179-L188 HydrophobicContact CB-CB 4.13Å; F179-L188 HydrophobicContact CD2-CB 3.8Å; F179-L188 HydrophobicContact CG-CB 4.28Å; F179-L188 PolarHBondContact N-O 2.97Å; F179-L188 PolarHBondContact O-N 3.49Å; F179-M190 HydrophobicContact CE2-CB 4.42Å; F179-Y200 HydrophobicContact CE2-CD1 4.21Å; F179-Y200 AromaticContact CE2-CE1 3.59Å; F179-Y200 HydrophobicContact CE2-CE1 3.59Å; F179-Y200 AromaticContact CZ-CE1 3.83Å; F179-Y200 HydrophobicContact CZ-CE1 3.83Å; F179-P233 HydrophobicContact CD1-CB 3.98Å; F179-P233 HydrophobicContact CD1-CG 3.87Å; F179-P233 HydrophobicContact CD2-CG 4.47Å; F179-P233 HydrophobicContact CE1-CB 3.9Å; F179-P233 HydrophobicContact CE1-CG 3.56Å; F179-P233 HydrophobicContact CE2-CG 4.24Å; F179-P233 HydrophobicContact CG-CG 4.32Å; F179-P233 HydrophobicContact CZ-CG 3.77Å; F179-F236 HydrophobicContact CB-CE2 4.18Å; F179-F236 HydrophobicContact CB-CZ 3.83Å |
| 180 | F | 93 | Very high | 89 | Confident | 25 Ų | 25 | 41.3 Ų | 41.3 | 11% | 0.11 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 150.7 | -173 | -58 | -100.6 | 0 | 0 | 0 | 110.5 | L132 L143 F154 A156 I169 F170 V178 F184 R185 P186 | L132-F180 HydrophobicContact CD1-CE2 3.93Å; L132-F180 HydrophobicContact CD1-CZ 4.44Å; L143-F180 HydrophobicContact CD2-CB 3.51Å; L143-F180 HydrophobicContact CD2-CD1 3.74Å; L143-F180 HydrophobicContact CD2-CD2 3.52Å; L143-F180 HydrophobicContact CD2-CE1 4.31Å; L143-F180 HydrophobicContact CD2-CE2 4.12Å; L143-F180 HydrophobicContact CD2-CG 3.31Å; L143-F180 HydrophobicContact CD2-CZ 4.49Å; F154-F180 HydrophobicContact CE2-CE2 4.34Å; F154-F180 HydrophobicContact CE2-CZ 4.44Å; F154-F180 HydrophobicContact CZ-CE2 4.47Å; A156-F180 HydrophobicContact CB-CE1 3.93Å; A156-F180 HydrophobicContact CB-CE2 4.27Å; A156-F180 HydrophobicContact CB-CZ 3.45Å; A156-F180 VanDerWaalsContact CB-CZ 3.45Å; I169-F180 HydrophobicContact CG2-CD1 4.26Å; I169-F180 HydrophobicContact CG2-CE1 3.97Å; F170-F180 HydrophobicContact CB-CE1 4Å; F170-F180 HydrophobicContact CB-CZ 4.21Å; V178-F180 HydrophobicContact CB-CE2 3.69Å; V178-F180 HydrophobicContact CB-CZ 3.84Å; V178-F180 HydrophobicContact CG1-CD2 4.31Å; V178-F180 HydrophobicContact CG1-CE1 4.07Å; V178-F180 HydrophobicContact CG1-CE2 3.64Å; V178-F180 HydrophobicContact CG1-CZ 3.49Å; V178-F180 VanDerWaalsContact CG1-CZ 3.49Å; V178-F180 WeakPolarHBondContact O-CE2 3.38Å; F180-F184 WeakPolarHBondContact CD1-O 3.21Å; F180-R185 CarbonylContact C-O 3.59Å; F180-R185 WeakPolarHBondContact CA-O 3.28Å; F180-P186 HydrophobicContact CD1-CB 3.91Å; F180-P186 HydrophobicContact CE1-CB 3.73Å; F180-P186 HydrophobicContact CE1-CG 4.43Å |
| 181 | D | 90.3 | Very high | 89.1 | Confident | 8 Ų | 8 | 42.7 Ų | 42.7 | 4% | 0.043 | 22% | 0.218 | C | C | . | . | trans | -80.2 | -179 | 168 | 62.5 | 22.8 | 0 | 0 | 0 | 113.4 | D183 F184 R185 I187 N240 | D181-D183 PolarHBondContact O-N 3.03Å; D181-D183 VanDerWaalsContact OD1-CA 3.3Å; D181-D183 WeakPolarHBondContact OD1-CA 3.34Å; D181-D183 WeakPolarHBondContact OD1-CB 2.97Å; D181-D183 PolarHBondContact OD1-N 3.38Å; D181-F184 WeakPolarHBondContact O-CA 3.32Å; D181-F184 PolarHBondContact O-N 3.1Å; D181-F184 PolarHBondContact OD1-N 2.95Å; D181-R185 PolarHBondContact N-O 3.14Å; D181-R185 PolarHBondContact OD1-N 3.47Å; D181-R185 IonicContact OD1-NE 3.75Å; D181-R185 IonicContact OD2-CZ 3.09Å; D181-R185 IonicContact OD2-NE 3.77Å; D181-R185 PolarHBondContact OD2-NE 3.33Å; D181-R185 IonicContact OD2-NH2 3.91Å; D181-R185 PolarHBondContact OD2-NH2 3.39Å; D181-I187 HydrophobicContact CB-CD1 3.57Å; D181-I187 HydrophobicContact CB-CG1 4.32Å; D181-N240 VanDerWaalsContact CB-OD1 3.23Å; D181-N240 WeakPolarHBondContact CB-OD1 3.19Å; D181-N240 PolarHBondContact OD2-ND2 3.22Å | ||
| 182 | Y | 88.5 | Confident | 89.3 | Confident | 39 Ų | 39 | 37.1 Ų | 37.1 | 15% | 0.153 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -14.4 | 175 | -62.4 | -67.3 | 0 | 0 | 0 | 114.4 | S135 H136 F184 H235 F287 | S135-Y182 WeakPolarHBondContact CB-O 3.49Å; S135-Y182 PolarHBondContact OG-O 2.93Å; H136-Y182 AromaticContact CE1-CD2 3.86Å; H136-Y182 AromaticContact CE1-CG 3.53Å; H136-Y182 AromaticContact ND1-CD1 3.6Å; H136-Y182 AromaticContact ND1-CG 3.57Å; Y182-F184 VanDerWaalsContact C-N 3.27Å; Y182-H235 AromaticContact CZ-CE1 3.69Å; Y182-H235 PolarHBondContact OH-CE1 2.98Å; Y182-H235 PolarHBondContact OH-NE2 3.44Å; Y182-F287 HydrophobicContact CD1-CE2 4.44Å; Y182-F287 HydrophobicContact CD1-CZ 4.39Å; Y182-F287 HydrophobicContact CD2-CD2 4.36Å; Y182-F287 AromaticContact CD2-CE2 3.84Å; Y182-F287 HydrophobicContact CD2-CE2 3.84Å; Y182-F287 HydrophobicContact CE1-CE1 4.45Å; Y182-F287 HydrophobicContact CE1-CE2 4.04Å; Y182-F287 AromaticContact CE1-CZ 3.79Å; Y182-F287 HydrophobicContact CE1-CZ 3.79Å; Y182-F287 AromaticContact CE2-CD2 3.64Å; Y182-F287 HydrophobicContact CE2-CD2 3.64Å; Y182-F287 AromaticContact CE2-CE2 3.38Å; Y182-F287 HydrophobicContact CE2-CE2 3.38Å; Y182-F287 HydrophobicContact CE2-CG 4.43Å; Y182-F287 AromaticContact CE2-CZ 3.97Å; Y182-F287 HydrophobicContact CE2-CZ 3.97Å; Y182-F287 HydrophobicContact CG-CE2 4.37Å; Y182-F287 AromaticContact CZ-CD2 3.99Å; Y182-F287 AromaticContact CZ-CE2 3.53Å; Y182-F287 AromaticContact CZ-CZ 3.6Å |
| 183 | D | 89.2 | Confident | 90 | Very high | 50 Ų | 50 | 36.7 Ų | 36.7 | 27% | 0.267 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 1.8 | 169.4 | -71.9 | -43.9 | 0 | 0 | 0 | 112.4 | I137 K138 D181 R185 | I137-D183 VanDerWaalsContact CD1-OD1 3.25Å; I137-D183 WeakPolarHBondContact CD1-OD1 3.49Å; K138-D183 WeakPolarHBondContact CE-O 3.47Å; D181-D183 PolarHBondContact O-N 3.03Å; D181-D183 VanDerWaalsContact OD1-CA 3.3Å; D181-D183 WeakPolarHBondContact OD1-CA 3.34Å; D181-D183 WeakPolarHBondContact OD1-CB 2.97Å; D181-D183 PolarHBondContact OD1-N 3.38Å; D183-R185 VanDerWaalsContact C-N 3.29Å; D183-R185 HydrophobicContact CB-CG 4.29Å; D183-R185 IonicContact OD2-CZ 2.73Å; D183-R185 IonicContact OD2-NH2 2.95Å; D183-R185 PolarHBondContact OD2-NH2 3.18Å |
| 184 | F | 92.8 | Very high | 90.8 | Very high | 5 Ų | 5 | 37.3 Ų | 37.3 | 2% | 0.022 | 20% | 0.203 | C | C | . | . | trans | 66.3 | 21.9 | -172 | -53.1 | -30 | 0 | 0 | 0 | 114.2 | K138 L143 A158 I169 F180 D181 Y182 | K138-F184 HydrophobicContact CB-CE2 4.27Å; K138-F184 HydrophobicContact CD-CD2 3.75Å; K138-F184 HydrophobicContact CD-CE2 3.95Å; K138-F184 HydrophobicContact CD-CG 4.44Å; L143-F184 HydrophobicContact CB-CD1 3.62Å; L143-F184 HydrophobicContact CB-CD2 4.39Å; L143-F184 HydrophobicContact CB-CE1 3.64Å; L143-F184 HydrophobicContact CB-CE2 4.41Å; L143-F184 HydrophobicContact CB-CG 4Å; L143-F184 HydrophobicContact CB-CZ 4.05Å; L143-F184 HydrophobicContact CD1-CB 4Å; L143-F184 HydrophobicContact CD1-CD1 4.49Å; L143-F184 HydrophobicContact CD1-CG 4.14Å; L143-F184 HydrophobicContact CD2-CB 4.34Å; L143-F184 HydrophobicContact CD2-CD1 4.08Å; L143-F184 HydrophobicContact CD2-CG 4.42Å; L143-F184 HydrophobicContact CG-CD1 4.26Å; L143-F184 HydrophobicContact CG-CG 4.4Å; A158-F184 HydrophobicContact CB-CD2 3.78Å; A158-F184 HydrophobicContact CB-CE2 4.22Å; I169-F184 WeakPolarHBondContact CG2-O 3.46Å; F180-F184 WeakPolarHBondContact CD1-O 3.21Å; D181-F184 WeakPolarHBondContact O-CA 3.32Å; D181-F184 PolarHBondContact O-N 3.1Å; D181-F184 PolarHBondContact OD1-N 2.95Å; Y182-F184 VanDerWaalsContact C-N 3.27Å | ||
| 185 | R | 91.3 | Very high | 91.5 | Very high | 130 Ų | 130 | 38.5 Ų | 38.5 | 49% | 0.491 | 19% | 0.194 | S | C | . | . | trans | -80.9 | 135.4 | 172.4 | -61.2 | 175.3 | -65.3 | -152.1 | -16.7 | 110 | F180 D181 D183 I187 N240 | F180-R185 CarbonylContact C-O 3.59Å; F180-R185 WeakPolarHBondContact CA-O 3.28Å; D181-R185 PolarHBondContact N-O 3.14Å; D181-R185 PolarHBondContact OD1-N 3.47Å; D181-R185 IonicContact OD1-NE 3.75Å; D181-R185 IonicContact OD2-CZ 3.09Å; D181-R185 IonicContact OD2-NE 3.77Å; D181-R185 PolarHBondContact OD2-NE 3.33Å; D181-R185 IonicContact OD2-NH2 3.91Å; D181-R185 PolarHBondContact OD2-NH2 3.39Å; D183-R185 VanDerWaalsContact C-N 3.29Å; D183-R185 HydrophobicContact CB-CG 4.29Å; D183-R185 IonicContact OD2-CZ 2.73Å; D183-R185 IonicContact OD2-NH2 2.95Å; D183-R185 PolarHBondContact OD2-NH2 3.18Å; R185-I187 PolarHBondContact O-N 2.94Å; R185-N240 PolarHBondContact NH2-ND2 3.01Å; R185-N240 VanDerWaalsContact NH2-ND2 3.12Å | ||
| 186 | P | 92.2 | Very high | 91.9 | Very high | 30 Ų | 30 | 37.3 Ų | 37.3 | 20% | 0.195 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 128.1 | 173.8 | 29.8 | -34.6 | 0 | 0 | 0 | 110.2 | F170 V178 F180 I203 | F170-P186 HydrophobicContact CD2-CB 4.04Å; F170-P186 HydrophobicContact CD2-CG 3.96Å; V178-P186 HydrophobicContact CG1-CB 3.86Å; F180-P186 HydrophobicContact CD1-CB 3.91Å; F180-P186 HydrophobicContact CE1-CB 3.73Å; F180-P186 HydrophobicContact CE1-CG 4.43Å; P186-I203 HydrophobicContact CB-CD1 3.72Å; P186-I203 HydrophobicContact CB-CG2 4.31Å; P186-I203 HydrophobicContact CG-CG2 4.14Å |
| 187 | I | 92.8 | Very high | 92.7 | Very high | 15 Ų | 15 | 40.6 Ų | 40.6 | 8% | 0.077 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | -45.5 | -179.1 | -62.4 | -175.2 | 0 | 0 | 0 | 111.7 | F179 D181 R185 I203 F236 N240 L261 | F179-I187 PolarHBondContact O-N 3.1Å; D181-I187 HydrophobicContact CB-CD1 3.57Å; D181-I187 HydrophobicContact CB-CG1 4.32Å; R185-I187 PolarHBondContact O-N 2.94Å; I187-I203 PolarHBondContact O-N 3.08Å; I187-F236 HydrophobicContact CB-CE1 4.15Å; I187-F236 HydrophobicContact CB-CZ 4.5Å; I187-F236 HydrophobicContact CD1-CD1 3.92Å; I187-F236 HydrophobicContact CD1-CE1 3.99Å; I187-F236 HydrophobicContact CG2-CE1 3.89Å; I187-N240 HydrophobicContact CD1-CB 4.3Å; I187-L261 HydrophobicContact CG2-CD1 3.98Å; I187-L261 HydrophobicContact CG2-CD2 4.15Å |
| 188 | L | 94.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 144.8 | 179.1 | -70.6 | 179 | 0 | 0 | 0 | 110.3 | V178 F179 Y200 F201 R202 Y220 P233 I243 W245 | V178-L188 CarbonylContact C-O 3.51Å; V178-L188 WeakPolarHBondContact CA-O 3.38Å; V178-L188 WeakPolarHBondContact CG1-O 3.45Å; F179-L188 HydrophobicContact CB-CB 4.13Å; F179-L188 HydrophobicContact CD2-CB 3.8Å; F179-L188 HydrophobicContact CG-CB 4.28Å; F179-L188 PolarHBondContact N-O 2.97Å; F179-L188 PolarHBondContact O-N 3.49Å; L188-Y200 HydrophobicContact CD1-CD1 4.21Å; L188-F201 CarbonylContact C-O 3.43Å; L188-F201 VanDerWaalsContact CA-O 3.25Å; L188-F201 WeakPolarHBondContact CA-O 3.47Å; L188-R202 HydrophobicContact CD2-CB 4.32Å; L188-Y220 HydrophobicContact CD2-CD1 4.06Å; L188-Y220 HydrophobicContact CD2-CG 4.13Å; L188-P233 HydrophobicContact CD1-CG 3.85Å; L188-I243 HydrophobicContact CD1-CD1 3.38Å; L188-I243 HydrophobicContact CD2-CD1 4.38Å; L188-I243 HydrophobicContact CG-CD1 3.91Å; L188-W245 HydrophobicContact CD1-CH2 3.68Å; L188-W245 HydrophobicContact CD1-CZ2 3.75Å |
| 189 | A | 93.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 159.2 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y175 K177 V178 Y200 F201 I203 F217 | Y175-A189 HydrophobicContact CD1-CB 3.54Å; Y175-A189 HydrophobicContact CD2-CB 3.95Å; Y175-A189 HydrophobicContact CE1-CB 4.04Å; Y175-A189 HydrophobicContact CE2-CB 4.42Å; Y175-A189 HydrophobicContact CG-CB 3.48Å; Y175-A189 VanDerWaalsContact CG-CB 3.48Å; K177-A189 CarbonylContact O-C 3.57Å; K177-A189 WeakPolarHBondContact O-CA 3.32Å; V178-A189 HydrophobicContact CG2-CB 4.36Å; A189-Y200 CarbonylContact O-C 3.55Å; A189-Y200 VanDerWaalsContact O-CA 3.3Å; A189-Y200 WeakPolarHBondContact O-CA 2.85Å; A189-F201 PolarHBondContact N-O 2.89Å; A189-F201 PolarHBondContact O-N 3.3Å; A189-I203 HydrophobicContact CB-CD1 3.82Å; A189-I203 HydrophobicContact CB-CG1 4.29Å; A189-F217 HydrophobicContact CB-CD1 4.36Å; A189-F217 HydrophobicContact CB-CE1 4.2Å |
| 190 | M | 94 | Very high | 93.3 | Very high | 24 Ų | 24 | 36.6 Ų | 36.6 | 12% | 0.118 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 138.9 | -178.8 | -173.5 | -179.1 | 83.5 | 0 | 0 | 110.9 | H176 K177 F179 T198 H199 Y200 | H176-M190 PolarHBondContact N-O 2.94Å; H176-M190 PolarHBondContact ND1-O 3.02Å; H176-M190 WeakPolarHBondContact NE2-CE 3.48Å; K177-M190 HydrophobicContact CB-CB 4.28Å; K177-M190 HydrophobicContact CB-CE 3.99Å; K177-M190 HydrophobicContact CD-CE 4.11Å; K177-M190 PolarHBondContact O-N 3.32Å; F179-M190 HydrophobicContact CE2-CB 4.42Å; M190-T198 HydrophobicContact CG-CG2 3.44Å; M190-T198 VanDerWaalsContact CG-CG2 3.44Å; M190-T198 HydrophobicContact SD-CG2 3.55Å; M190-T198 VanDerWaalsContact SD-CG2 3.55Å; M190-H199 WeakPolarHBondContact CA-O 3.49Å; M190-Y200 HydrophobicContact CB-CD1 4.14Å; M190-Y200 HydrophobicContact CB-CE1 4.11Å; M190-Y200 HydrophobicContact CG-CD1 4.33Å; M190-Y200 HydrophobicContact CG-CE1 4.11Å; M190-Y200 HydrophobicContact CG-CE2 4.48Å; M190-Y200 HydrophobicContact SD-CE1 3.79Å; M190-Y200 HydrophobicContact SD-CE2 4.11Å; M190-Y200 VanDerWaalsContact SD-CZ 3.51Å; M190-Y200 PolarHBondContact SD-OH 3.39Å |
| 191 | N | 93.3 | Very high | 93.4 | Very high | 42 Ų | 42 | 36.5 Ų | 36.5 | 23% | 0.225 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 170.3 | 166.5 | 74 | 5.4 | 0 | 0 | 0 | 111.8 | Y175 T198 H199 F201 | Y175-N191 HydrophobicContact CD1-CB 4.19Å; N191-T198 WeakPolarHBondContact O-CA 3.38Å; N191-H199 PolarHBondContact N-O 2.96Å; N191-H199 PolarHBondContact O-N 2.71Å; N191-F201 WeakPolarHBondContact OD1-CE2 3.27Å |
| 192 | E | 94.3 | Very high | 93.6 | Very high | 28 Ų | 28 | 37.5 Ų | 37.5 | 13% | 0.131 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 138.1 | 171.3 | -169.1 | -174.8 | -107.8 | 0 | 0 | 109.1 | W197 P541 M542 R543 N544 S545 | E192-W197 CarbonylContact C-O 3.53Å; E192-W197 VanDerWaalsContact CA-O 3.31Å; E192-W197 WeakPolarHBondContact CA-O 3.22Å; E192-P541 WeakPolarHBondContact CB-O 3.28Å; E192-M542 WeakPolarHBondContact OE1-CA 3.1Å; E192-M542 VanDerWaalsContact OE2-C 3.23Å; E192-M542 WeakPolarHBondContact OE2-CA 3.39Å; E192-R543 PolarHBondContact OE2-N 3.43Å; E192-N544 WeakPolarHBondContact OE2-CA 3.21Å; E192-N544 VanDerWaalsContact OE2-CB 3.27Å; E192-N544 WeakPolarHBondContact OE2-CB 3.15Å; E192-N544 PolarHBondContact OE2-N 2.91Å; E192-S545 WeakPolarHBondContact OE1-CB 3.45Å; E192-S545 PolarHBondContact OE1-N 2.93Å; E192-S545 PolarHBondContact OE1-OG 3.37Å; E192-S545 PolarHBondContact OE2-N 2.83Å |
| 193 | S | 94.5 | Very high | 93.8 | Very high | 21 Ų | 21 | 36.2 Ų | 36.2 | 15% | 0.147 | 18% | 0.182 | C | C | . | . | trans | -85.2 | 169.8 | 172.5 | 56.2 | 0 | 0 | 0 | 0 | 112.1 | D195 G196 W197 N544 | S193-D195 VanDerWaalsContact CB-OD1 3.24Å; S193-D195 WeakPolarHBondContact CB-OD1 3.33Å; S193-D195 PolarHBondContact O-N 2.83Å; S193-D195 PolarHBondContact OG-OD1 2.77Å; S193-G196 PolarHBondContact O-N 2.98Å; S193-W197 PolarHBondContact N-O 2.98Å; S193-W197 WeakPolarHBondContact OG-CA 3.31Å; S193-W197 WeakPolarHBondContact OG-CB 3.17Å; S193-W197 PolarHBondContact OG-N 2.83Å; S193-W197 VanDerWaalsContact OG-N 3.1Å; S193-W197 PolarHBondContact OG-O 2.75Å; S193-N544 PolarHBondContact O-ND2 2.85Å | ||
| 194 | S | 91.9 | Very high | 93.6 | Very high | 112 Ų | 112 | 38 Ų | 38 | 78% | 0.783 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -22.8 | 179 | 54.3 | 0 | 0 | 0 | 0 | 114.3 | G196 N544 | S194-G196 VanDerWaalsContact C-N 3.33Å; S194-N544 WeakPolarHBondContact CA-ND2 3.46Å |
| 195 | D | 93 | Very high | 92.6 | Very high | 90 Ų | 90 | 40.3 Ų | 40.3 | 48% | 0.481 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 12.9 | 174.3 | 64 | -17 | 0 | 0 | 0 | 112.8 | S193 W197 I548 | S193-D195 VanDerWaalsContact CB-OD1 3.24Å; S193-D195 WeakPolarHBondContact CB-OD1 3.33Å; S193-D195 PolarHBondContact O-N 2.83Å; S193-D195 PolarHBondContact OG-OD1 2.77Å; D195-W197 VanDerWaalsContact C-N 3.26Å; D195-W197 VanDerWaalsContact CG-CD1 3.43Å; D195-W197 PolarHBondContact O-N 2.8Å; D195-W197 VanDerWaalsContact OD2-CD1 3.27Å; D195-I548 WeakPolarHBondContact O-CD1 3.28Å |
| 196 | G | 94.9 | Very high | 91 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 75.8 | 6.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | S193 S194 V225 | S193-G196 PolarHBondContact O-N 2.98Å; S194-G196 VanDerWaalsContact C-N 3.33Å; G196-V225 VanDerWaalsContact O-CG2 3.28Å; G196-V225 WeakPolarHBondContact O-CG2 3.49Å |
| 197 | W | 97.1 | Very high | 89.1 | Confident | 106 Ų | 106 | 37.4 Ų | 37.4 | 40% | 0.402 | 20% | 0.202 | S | C | . | . | trans | -70.7 | 144 | 171 | -74.1 | 67.5 | 0 | 0 | 0 | 110.4 | E192 S193 D195 L223 S224 | E192-W197 CarbonylContact C-O 3.53Å; E192-W197 VanDerWaalsContact CA-O 3.31Å; E192-W197 WeakPolarHBondContact CA-O 3.22Å; S193-W197 PolarHBondContact N-O 2.98Å; S193-W197 WeakPolarHBondContact OG-CA 3.31Å; S193-W197 WeakPolarHBondContact OG-CB 3.17Å; S193-W197 PolarHBondContact OG-N 2.83Å; S193-W197 VanDerWaalsContact OG-N 3.1Å; S193-W197 PolarHBondContact OG-O 2.75Å; D195-W197 VanDerWaalsContact C-N 3.26Å; D195-W197 VanDerWaalsContact CG-CD1 3.43Å; D195-W197 PolarHBondContact O-N 2.8Å; D195-W197 VanDerWaalsContact OD2-CD1 3.27Å; W197-L223 CarbonylContact C-O 3.6Å; W197-L223 WeakPolarHBondContact CA-O 3.34Å; W197-L223 VanDerWaalsContact CE3-O 3.27Å; W197-S224 VanDerWaalsContact CE3-N 3.34Å | ||
| 198 | T | 96.8 | Very high | 87.3 | Confident | 13 Ų | 13 | 42.6 Ų | 42.6 | 8% | 0.08 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 128.9 | 171.8 | -63.4 | 0 | 0 | 0 | 0 | 109.3 | M190 N191 Y200 S222 L223 A228 | M190-T198 HydrophobicContact CG-CG2 3.44Å; M190-T198 VanDerWaalsContact CG-CG2 3.44Å; M190-T198 HydrophobicContact SD-CG2 3.55Å; M190-T198 VanDerWaalsContact SD-CG2 3.55Å; N191-T198 WeakPolarHBondContact O-CA 3.38Å; T198-Y200 HydrophobicContact CG2-CD2 4.47Å; T198-Y200 HydrophobicContact CG2-CE2 4.12Å; T198-S222 CarbonylContact O-C 3.59Å; T198-S222 WeakPolarHBondContact O-CA 3.36Å; T198-L223 PolarHBondContact N-O 3.49Å; T198-L223 PolarHBondContact O-N 2.74Å; T198-A228 HydrophobicContact CG2-CB 4.4Å; T198-A228 VanDerWaalsContact OG1-CB 3.29Å; T198-A228 WeakPolarHBondContact OG1-CB 3.44Å |
| 199 | H | 96.4 | Very high | 84.9 | Confident | 25 Ų | 25 | 48.5 Ų | 48.5 | 12% | 0.116 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 126.2 | 175.4 | -58.1 | -57.6 | 0 | 0 | 0 | 110.6 | M190 N191 F201 K221 S222 | M190-H199 WeakPolarHBondContact CA-O 3.49Å; N191-H199 PolarHBondContact N-O 2.96Å; N191-H199 PolarHBondContact O-N 2.71Å; H199-F201 HydrophobicContact CB-CD2 4.34Å; H199-F201 HydrophobicContact CB-CE2 3.51Å; H199-F201 HydrophobicContact CB-CZ 3.9Å; H199-K221 CarbonylContact C-O 3.57Å; H199-K221 WeakPolarHBondContact CA-O 3.27Å; H199-S222 PolarHBondContact ND1-OG 3.4Å |
| 200 | Y | 96.1 | Very high | 82.6 | Confident | 5 Ų | 5 | 56.4 Ų | 56.4 | 2% | 0.02 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 139.5 | 165.7 | -72.3 | -90.9 | 0 | 0 | 0 | 109.8 | F179 L188 A189 M190 T198 Y220 K221 L223 P233 W245 | F179-Y200 HydrophobicContact CE2-CD1 4.21Å; F179-Y200 AromaticContact CE2-CE1 3.59Å; F179-Y200 HydrophobicContact CE2-CE1 3.59Å; F179-Y200 AromaticContact CZ-CE1 3.83Å; F179-Y200 HydrophobicContact CZ-CE1 3.83Å; L188-Y200 HydrophobicContact CD1-CD1 4.21Å; A189-Y200 CarbonylContact O-C 3.55Å; A189-Y200 VanDerWaalsContact O-CA 3.3Å; A189-Y200 WeakPolarHBondContact O-CA 2.85Å; M190-Y200 HydrophobicContact CB-CD1 4.14Å; M190-Y200 HydrophobicContact CB-CE1 4.11Å; M190-Y200 HydrophobicContact CG-CD1 4.33Å; M190-Y200 HydrophobicContact CG-CE1 4.11Å; M190-Y200 HydrophobicContact CG-CE2 4.48Å; M190-Y200 HydrophobicContact SD-CE1 3.79Å; M190-Y200 HydrophobicContact SD-CE2 4.11Å; M190-Y200 VanDerWaalsContact SD-CZ 3.51Å; M190-Y200 PolarHBondContact SD-OH 3.39Å; T198-Y200 HydrophobicContact CG2-CD2 4.47Å; T198-Y200 HydrophobicContact CG2-CE2 4.12Å; Y200-Y220 WeakPolarHBondContact O-CB 3.46Å; Y200-Y220 PolarHBondContact O-N 3.04Å; Y200-K221 HydrophobicContact CD2-CB 4.32Å; Y200-K221 PolarHBondContact N-O 3.32Å; Y200-K221 PolarHBondContact O-N 2.9Å; Y200-L223 HydrophobicContact CD2-CD1 4.13Å; Y200-L223 HydrophobicContact CE2-CD1 3.63Å; Y200-P233 HydrophobicContact CE1-CG 3.94Å; Y200-P233 WeakPolarHBondContact OH-CD 3.4Å; Y200-W245 HydrophobicContact CD1-CH2 4.09Å; Y200-W245 HydrophobicContact CD1-CZ3 4.46Å; Y200-W245 HydrophobicContact CD2-CH2 4.37Å; Y200-W245 HydrophobicContact CD2-CZ3 4.35Å; Y200-W245 HydrophobicContact CE1-CH2 4.25Å; Y200-W245 HydrophobicContact CE1-CZ3 4.21Å; Y200-W245 HydrophobicContact CE2-CZ3 4.11Å; Y200-W245 HydrophobicContact CG-CH2 4.15Å |
| 201 | F | 95 | Very high | 80.3 | Confident | 24 Ų | 24 | 62.3 Ų | 62.3 | 11% | 0.105 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 130.8 | 176.4 | -62.1 | -100.4 | 0 | 0 | 0 | 109.2 | Y175 L188 A189 N191 H199 F217 Q218 R219 | Y175-F201 HydrophobicContact CD1-CD2 4.26Å; Y175-F201 HydrophobicContact CE1-CB 4.36Å; Y175-F201 AromaticContact CE1-CD2 3.46Å; Y175-F201 HydrophobicContact CE1-CD2 3.46Å; Y175-F201 VanDerWaalsContact CE1-CD2 3.46Å; Y175-F201 AromaticContact CE1-CE2 3.81Å; Y175-F201 HydrophobicContact CE1-CE2 3.81Å; Y175-F201 AromaticContact CE1-CG 3.9Å; Y175-F201 HydrophobicContact CE1-CG 3.9Å; L188-F201 CarbonylContact C-O 3.43Å; L188-F201 VanDerWaalsContact CA-O 3.25Å; L188-F201 WeakPolarHBondContact CA-O 3.47Å; A189-F201 PolarHBondContact N-O 2.89Å; A189-F201 PolarHBondContact O-N 3.3Å; N191-F201 WeakPolarHBondContact OD1-CE2 3.27Å; H199-F201 HydrophobicContact CB-CD2 4.34Å; H199-F201 HydrophobicContact CB-CE2 3.51Å; H199-F201 HydrophobicContact CB-CZ 3.9Å; F201-F217 HydrophobicContact CB-CB 4.23Å; F201-F217 HydrophobicContact CB-CD1 4.4Å; F201-F217 HydrophobicContact CD1-CB 4.31Å; F201-Q218 CarbonylContact C-O 3.58Å; F201-Q218 WeakPolarHBondContact CA-O 3.48Å; F201-R219 HydrophobicContact CD1-CB 4.3Å; F201-R219 HydrophobicContact CE1-CB 4.19Å |
| 202 | R | 93.7 | Very high | 78 | Confident | 28 Ų | 28 | 64.2 Ų | 64.2 | 11% | 0.106 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 130.3 | 169.3 | -173.8 | 163.1 | -177.9 | -154.5 | -6.9 | 109.9 | L188 R204 F217 Q218 Y220 L261 D262 | L188-R202 HydrophobicContact CD2-CB 4.32Å; R202-R204 HydrophobicContact CG-CG 4.48Å; R202-F217 WeakPolarHBondContact O-CA 3.46Å; R202-Q218 PolarHBondContact N-O 3.29Å; R202-Q218 PolarHBondContact O-N 3.2Å; R202-Y220 HydrophobicContact CB-CD2 3.94Å; R202-Y220 HydrophobicContact CB-CG 4.34Å; R202-L261 PolarHBondContact NH1-O 3.12Å; R202-D262 IonicContact CZ-OD1 2.79Å; R202-D262 VanDerWaalsContact NH1-CA 3.29Å; R202-D262 IonicContact NH1-OD1 2.67Å; R202-D262 PolarHBondContact NH1-OD1 2.91Å; R202-D262 IonicContact NH2-OD1 2.71Å; R202-D262 PolarHBondContact NH2-OD1 3.08Å; R202-D262 IonicContact NH2-OD2 3.68Å |
| 203 | I | 91.7 | Very high | 76.3 | Confident | 13 Ų | 13 | 70.3 Ų | 70.3 | 7% | 0.067 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 127 | -179.9 | -55.4 | 175.8 | 0 | 0 | 0 | 107.6 | F170 V178 P186 I187 A189 T215 I216 F217 | F170-I203 HydrophobicContact CE2-CD1 4.29Å; V178-I203 HydrophobicContact CG1-CD1 3.98Å; P186-I203 HydrophobicContact CB-CD1 3.72Å; P186-I203 HydrophobicContact CB-CG2 4.31Å; P186-I203 HydrophobicContact CG-CG2 4.14Å; I187-I203 PolarHBondContact O-N 3.08Å; A189-I203 HydrophobicContact CB-CD1 3.82Å; A189-I203 HydrophobicContact CB-CG1 4.29Å; I203-T215 HydrophobicContact CG2-CG2 3.44Å; I203-T215 VanDerWaalsContact CG2-CG2 3.44Å; I203-I216 WeakPolarHBondContact CA-O 3.43Å; I203-F217 HydrophobicContact CD1-CD1 4.36Å; I203-F217 HydrophobicContact CD1-CE1 3.84Å; I203-F217 HydrophobicContact CG1-CD1 3.76Å; I203-F217 HydrophobicContact CG1-CE1 3.69Å; I203-F217 HydrophobicContact CG2-CE1 4.47Å |
| 204 | R | 85.6 | Confident | 75 | Confident | 86 Ų | 86 | 77.8 Ų | 77.8 | 33% | 0.325 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 144.6 | 173.1 | -62.9 | -174.4 | 180 | -156.5 | -2.4 | 110.1 | R202 I216 D262 | R202-R204 HydrophobicContact CG-CG 4.48Å; R204-I216 PolarHBondContact N-O 3.13Å; R204-I216 PolarHBondContact O-N 3.1Å; R204-D262 IonicContact CZ-OD1 2.7Å; R204-D262 IonicContact NH2-OD1 3.16Å; R204-D262 PolarHBondContact NH2-OD1 2.86Å; R204-D262 VanDerWaalsContact NH2-OD1 3.13Å |
| 205 | S | 71.8 | Confident | 74.4 | Confident | 55 Ų | 55 | 76.1 Ų | 76.1 | 39% | 0.385 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 130.9 | 168.8 | 178.6 | 0 | 0 | 0 | 0 | 108.5 | S207 D208 | S205-S207 WeakPolarHBondContact CB-OG 3.09Å; S205-S207 PolarHBondContact O-N 3.34Å; S205-S207 PolarHBondContact OG-N 2.88Å; S205-S207 PolarHBondContact OG-OG 3.32Å; S205-D208 PolarHBondContact O-N 2.85Å; S205-D208 VanDerWaalsContact O-N 3.11Å |
| 206 | S | 57.1 | Low | 74.1 | Confident | 9 Ų | 9 | 75.4 Ų | 75.4 | 6% | 0.063 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -62.6 | -5.4 | 171.4 | 60.6 | 0 | 0 | 0 | 0 | 114.1 | D208 D209 T212 D213 R214 | S206-D208 PolarHBondContact O-N 2.99Å; S206-D209 CarbonylContact O-C 3.58Å; S206-D209 WeakPolarHBondContact O-CA 3.36Å; S206-D209 PolarHBondContact O-N 2.88Å; S206-T212 WeakPolarHBondContact CB-O 3.12Å; S206-T212 PolarHBondContact OG-O 2.87Å; S206-D213 WeakPolarHBondContact OG-CA 3.4Å; S206-R214 VanDerWaalsContact CB-O 3.29Å; S206-R214 WeakPolarHBondContact CB-O 3.47Å; S206-R214 PolarHBondContact N-O 3.27Å; S206-R214 PolarHBondContact OG-N 2.05Å; S206-R214 PolarHBondContact OG-O 2.86Å |
| 207 | S | 53.2 | Low | 73.9 | Confident | 89 Ų | 89 | 77.7 Ų | 77.7 | 62% | 0.622 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -57.6 | -17.3 | 165.4 | 57.7 | 0 | 0 | 0 | 0 | 112.9 | S205 | S205-S207 WeakPolarHBondContact CB-OG 3.09Å; S205-S207 PolarHBondContact O-N 3.34Å; S205-S207 PolarHBondContact OG-N 2.88Å; S205-S207 PolarHBondContact OG-OG 3.32Å |
| 208 | D | 54.2 | Low | 73.7 | Confident | 124 Ų | 124 | 77.5 Ų | 77.5 | 66% | 0.663 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -77.2 | -17.1 | 169.3 | -65.9 | -22.2 | 0 | 0 | 0 | 113.3 | S205 S206 | S205-D208 PolarHBondContact O-N 2.85Å; S205-D208 VanDerWaalsContact O-N 3.11Å; S206-D208 PolarHBondContact O-N 2.99Å |
| 209 | D | 45.3 | Very low | 73.6 | Confident | 124 Ų | 124 | 84.5 Ų | 84.5 | 66% | 0.663 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -134.5 | 96.4 | 178 | -87.6 | -35.6 | 0 | 0 | 0 | 110.3 | S206 D211 | S206-D209 CarbonylContact O-C 3.58Å; S206-D209 WeakPolarHBondContact O-CA 3.36Å; S206-D209 PolarHBondContact O-N 2.88Å; D209-D211 PolarHBondContact O-N 2.87Å |
| 210 | N | 45.1 | Very low | 73.5 | Confident | 166 Ų | 166 | 84.3 Ų | 84.3 | 89% | 0.888 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -28 | 119.7 | 178.7 | -77 | -33 | 0 | 0 | 0 | 114.7 | ||
| 211 | D | 45 | Very low | 73.5 | Confident | 149 Ų | 149 | 84.9 Ų | 84.9 | 80% | 0.797 | 43% | 0.428 | S | S | * | . | S | Bend | trans | 105.8 | 43.9 | 153.1 | -153.8 | 28.2 | 0 | 0 | 0 | 120.6 | D209 | D209-D211 PolarHBondContact O-N 2.87Š|
| 212 | T | 46.3 | Very low | 73.6 | Confident | 82 Ų | 82 | 85.8 Ų | 85.8 | 50% | 0.503 | 44% | 0.438 | S | S | . | . | trans | 172.9 | 132 | 142.4 | 33.2 | 0 | 0 | 0 | 0 | 108.1 | S206 R214 | S206-T212 WeakPolarHBondContact CB-O 3.12Å; S206-T212 PolarHBondContact OG-O 2.87Å; T212-R214 PolarHBondContact O-N 3.13Å | ||
| 213 | D | 57.6 | Low | 73.8 | Confident | 156 Ų | 156 | 84.7 Ų | 84.7 | 83% | 0.834 | 43% | 0.434 | S | S | * | . | trans | -63.8 | 57.5 | -177.4 | -140.7 | 14.6 | 0 | 0 | 0 | 113.7 | S206 | S206-D213 WeakPolarHBondContact OG-CA 3.4Š| ||
| 214 | R | 67.6 | Low | 74 | Confident | 177 Ų | 177 | 84.8 Ų | 84.8 | 67% | 0.668 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -99.3 | 123.9 | -177.3 | -69.9 | -177.2 | -178.8 | -167.5 | 2.5 | 109.4 | S206 T212 I216 | S206-R214 VanDerWaalsContact CB-O 3.29Å; S206-R214 WeakPolarHBondContact CB-O 3.47Å; S206-R214 PolarHBondContact N-O 3.27Å; S206-R214 PolarHBondContact OG-N 2.05Å; S206-R214 PolarHBondContact OG-O 2.86Å; T212-R214 PolarHBondContact O-N 3.13Å; R214-I216 PolarHBondContact O-N 2.87Å |
| 215 | T | 79.9 | Confident | 74.6 | Confident | 77 Ų | 77 | 81 Ų | 81 | 47% | 0.472 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 122.2 | 166.4 | -52 | 0 | 0 | 0 | 0 | 109.3 | I203 F217 | I203-T215 HydrophobicContact CG2-CG2 3.44Å; I203-T215 VanDerWaalsContact CG2-CG2 3.44Å; T215-F217 HydrophobicContact CG2-CD2 4.35Å; T215-F217 HydrophobicContact CG2-CE1 4.35Å; T215-F217 HydrophobicContact CG2-CE2 3.74Å; T215-F217 HydrophobicContact CG2-CZ 3.74Å |
| 216 | I | 85.8 | Confident | 75.7 | Confident | 76 Ų | 76 | 79.2 Ų | 79.2 | 39% | 0.39 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 126.8 | 177.6 | -60.2 | 173.2 | 0 | 0 | 0 | 108.6 | I203 R204 R214 | I203-I216 WeakPolarHBondContact CA-O 3.43Å; R204-I216 PolarHBondContact N-O 3.13Å; R204-I216 PolarHBondContact O-N 3.1Å; R214-I216 PolarHBondContact O-N 2.87Å |
| 217 | F | 91.1 | Very high | 77.6 | Confident | 47 Ų | 47 | 78.8 Ų | 78.8 | 21% | 0.206 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 105.5 | 172.9 | -62.4 | -89.3 | 0 | 0 | 0 | 109.8 | F170 D173 Y175 A189 F201 R202 I203 T215 | F170-F217 HydrophobicContact CE2-CE1 4.06Å; F170-F217 AromaticContact CE2-CZ 3.78Å; F170-F217 HydrophobicContact CE2-CZ 3.78Å; F170-F217 HydrophobicContact CZ-CE1 4.21Å; F170-F217 HydrophobicContact CZ-CZ 4Å; D173-F217 HydrophobicContact CB-CZ 4.44Å; D173-F217 WeakPolarHBondContact OD2-CE2 3.41Å; Y175-F217 HydrophobicContact CD2-CD1 4.2Å; Y175-F217 AromaticContact CD2-CE1 3.71Å; Y175-F217 HydrophobicContact CD2-CE1 3.71Å; Y175-F217 HydrophobicContact CD2-CZ 4.06Å; Y175-F217 HydrophobicContact CE1-CD1 4.45Å; Y175-F217 AromaticContact CE2-CD1 3.36Å; Y175-F217 HydrophobicContact CE2-CD1 3.36Å; Y175-F217 HydrophobicContact CE2-CD2 4.07Å; Y175-F217 AromaticContact CE2-CE1 3.24Å; Y175-F217 HydrophobicContact CE2-CE1 3.24Å; Y175-F217 AromaticContact CE2-CE2 3.96Å; Y175-F217 HydrophobicContact CE2-CE2 3.96Å; Y175-F217 AromaticContact CE2-CG 3.78Å; Y175-F217 HydrophobicContact CE2-CG 3.78Å; Y175-F217 AromaticContact CE2-CZ 3.55Å; Y175-F217 HydrophobicContact CE2-CZ 3.55Å; Y175-F217 AromaticContact CZ-CD1 3.51Å; Y175-F217 AromaticContact CZ-CE1 3.9Å; Y175-F217 AromaticContact CZ-CG 3.79Å; Y175-F217 VanDerWaalsContact OH-CB 3.24Å; Y175-F217 WeakPolarHBondContact OH-CB 3.39Å; Y175-F217 WeakPolarHBondContact OH-CD1 3.47Å; Y175-F217 VanDerWaalsContact OH-CG 3.26Å; Y175-F217 WeakPolarHBondContact OH-CG 3.44Å; A189-F217 HydrophobicContact CB-CD1 4.36Å; A189-F217 HydrophobicContact CB-CE1 4.2Å; F201-F217 HydrophobicContact CB-CB 4.23Å; F201-F217 HydrophobicContact CB-CD1 4.4Å; F201-F217 HydrophobicContact CD1-CB 4.31Å; R202-F217 WeakPolarHBondContact O-CA 3.46Å; I203-F217 HydrophobicContact CD1-CD1 4.36Å; I203-F217 HydrophobicContact CD1-CE1 3.84Å; I203-F217 HydrophobicContact CG1-CD1 3.76Å; I203-F217 HydrophobicContact CG1-CE1 3.69Å; I203-F217 HydrophobicContact CG2-CE1 4.47Å; T215-F217 HydrophobicContact CG2-CD2 4.35Å; T215-F217 HydrophobicContact CG2-CE1 4.35Å; T215-F217 HydrophobicContact CG2-CE2 3.74Å; T215-F217 HydrophobicContact CG2-CZ 3.74Å |
| 218 | Q | 92.3 | Very high | 79.7 | Confident | 102 Ų | 102 | 75.6 Ų | 75.6 | 48% | 0.477 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 127.5 | 177.2 | -174.8 | 179.1 | 10.3 | 0 | 0 | 109.8 | F201 R202 Y220 | F201-Q218 CarbonylContact C-O 3.58Å; F201-Q218 WeakPolarHBondContact CA-O 3.48Å; R202-Q218 PolarHBondContact N-O 3.29Å; R202-Q218 PolarHBondContact O-N 3.2Å; Q218-Y220 PolarHBondContact O-N 3.01Å; Q218-Y220 VanDerWaalsContact O-N 3.16Å |
| 219 | R | 94.2 | Very high | 81.7 | Confident | 160 Ų | 160 | 71.6 Ų | 71.6 | 60% | 0.604 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 124.9 | 174.6 | -174.4 | 178.8 | -67.5 | 156 | -1.2 | 109.7 | F201 | F201-R219 HydrophobicContact CD1-CB 4.3Å; F201-R219 HydrophobicContact CE1-CB 4.19Å |
| 220 | Y | 95.1 | Very high | 84.1 | Confident | 21 Ų | 21 | 65.9 Ų | 65.9 | 8% | 0.082 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | -44.6 | -172.8 | -175.3 | -98 | 0 | 0 | 0 | 111.8 | L188 Y200 R202 Q218 W245 E259 L261 H264 | L188-Y220 HydrophobicContact CD2-CD1 4.06Å; L188-Y220 HydrophobicContact CD2-CG 4.13Å; Y200-Y220 WeakPolarHBondContact O-CB 3.46Å; Y200-Y220 PolarHBondContact O-N 3.04Å; R202-Y220 HydrophobicContact CB-CD2 3.94Å; R202-Y220 HydrophobicContact CB-CG 4.34Å; Q218-Y220 PolarHBondContact O-N 3.01Å; Q218-Y220 VanDerWaalsContact O-N 3.16Å; Y220-W245 HydrophobicContact CD1-CZ2 4.2Å; Y220-W245 HydrophobicContact CE1-CH2 4.39Å; Y220-W245 AromaticContact CE1-CZ2 3.62Å; Y220-W245 HydrophobicContact CE1-CZ2 3.62Å; Y220-E259 VanDerWaalsContact CZ-OE1 3.3Å; Y220-E259 VanDerWaalsContact OH-CG 3.3Å; Y220-E259 WeakPolarHBondContact OH-CG 3.34Å; Y220-E259 PolarHBondContact OH-OE1 3.24Å; Y220-L261 HydrophobicContact CE2-CD2 4.18Å; Y220-H264 AromaticContact CD2-CE1 3.34Å; Y220-H264 WeakPolarHBondContact CD2-CE1 3.23Å; Y220-H264 AromaticContact CE2-CE1 3.14Å; Y220-H264 WeakPolarHBondContact CE2-CE1 3.4Å; Y220-H264 AromaticContact CE2-ND1 3.53Å; Y220-H264 AromaticContact CZ-CE1 3.97Å; Y220-H264 AromaticContact CZ-ND1 3.92Å |
| 221 | K | 95.5 | Very high | 86.6 | Confident | 17 Ų | 17 | 58 Ų | 58 | 7% | 0.074 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 149.2 | -179 | -164.7 | 178.6 | -66.6 | -68.4 | 0 | 110.6 | H199 Y200 L223 T231 W245 E249 E259 | H199-K221 CarbonylContact C-O 3.57Å; H199-K221 WeakPolarHBondContact CA-O 3.27Å; Y200-K221 HydrophobicContact CD2-CB 4.32Å; Y200-K221 PolarHBondContact N-O 3.32Å; Y200-K221 PolarHBondContact O-N 2.9Å; K221-L223 HydrophobicContact CD-CD1 4.49Å; K221-L223 HydrophobicContact CD-CD2 4Å; K221-L223 HydrophobicContact CD-CG 4.33Å; K221-L223 HydrophobicContact CG-CD2 4.13Å; K221-L223 HydrophobicContact CG-CG 4.3Å; K221-T231 HydrophobicContact CD-CG2 4.27Å; K221-W245 HydrophobicContact CD-CH2 4.44Å; K221-W245 HydrophobicContact CD-CZ3 4.31Å; K221-E249 WeakPolarHBondContact CD-OE2 3.49Å; K221-E249 WeakPolarHBondContact CE-OE2 3.45Å; K221-E249 WeakPolarHBondContact CG-OE1 3.42Å; K221-E249 IonicContact NZ-OE1 2.83Å; K221-E249 IonicContact NZ-OE2 3.68Å; K221-E249 PolarHBondContact NZ-OE2 2.88Å; K221-E259 IonicContact NZ-OE2 3.87Å; K221-E259 PolarHBondContact NZ-OE2 3.48Å |
| 222 | S | 97.1 | Very high | 89 | Confident | 44 Ų | 44 | 54.8 Ų | 54.8 | 31% | 0.308 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 127 | 175.4 | -64.6 | 0 | 0 | 0 | 0 | 109.5 | T198 H199 | T198-S222 CarbonylContact O-C 3.59Å; T198-S222 WeakPolarHBondContact O-CA 3.36Å; H199-S222 PolarHBondContact ND1-OG 3.4Å |
| 223 | L | 97.7 | Very high | 91.4 | Very high | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 137 | -174.4 | -59.1 | 169.5 | 0 | 0 | 0 | 110.2 | W197 T198 Y200 K221 A228 T231 E249 | W197-L223 CarbonylContact C-O 3.6Å; W197-L223 WeakPolarHBondContact CA-O 3.34Å; W197-L223 VanDerWaalsContact CE3-O 3.27Å; T198-L223 PolarHBondContact N-O 3.49Å; T198-L223 PolarHBondContact O-N 2.74Å; Y200-L223 HydrophobicContact CD2-CD1 4.13Å; Y200-L223 HydrophobicContact CE2-CD1 3.63Å; K221-L223 HydrophobicContact CD-CD1 4.49Å; K221-L223 HydrophobicContact CD-CD2 4Å; K221-L223 HydrophobicContact CD-CG 4.33Å; K221-L223 HydrophobicContact CG-CD2 4.13Å; K221-L223 HydrophobicContact CG-CG 4.3Å; L223-A228 HydrophobicContact CB-CB 4.12Å; L223-A228 HydrophobicContact CD1-CB 4.48Å; L223-T231 HydrophobicContact CD1-CG2 3.92Å; L223-T231 WeakPolarHBondContact CD1-O 3.48Å; L223-T231 HydrophobicContact CD2-CG2 3.84Å; L223-E249 HydrophobicContact CD2-CG 3.76Å |
| 224 | S | 97 | Very high | 93.2 | Very high | 14 Ų | 14 | 46.3 Ų | 46.3 | 10% | 0.098 | 22% | 0.221 | C | C | . | . | trans | -65.3 | 167.5 | 168 | 57.9 | 0 | 0 | 0 | 0 | 110.7 | W197 E226 G227 A228 R457 | W197-S224 VanDerWaalsContact CE3-N 3.34Å; S224-E226 VanDerWaalsContact C-N 3.3Å; S224-E226 WeakPolarHBondContact CB-OE1 3.25Å; S224-E226 PolarHBondContact O-N 3.46Å; S224-E226 PolarHBondContact OG-OE1 3.38Å; S224-E226 PolarHBondContact OG-OE2 2.87Å; S224-G227 CarbonylContact O-C 3.53Å; S224-G227 PolarHBondContact O-N 2.96Å; S224-G227 PolarHBondContact OG-N 3.01Å; S224-A228 WeakPolarHBondContact O-CB 3.48Å; S224-A228 PolarHBondContact O-N 2.84Å; S224-R457 PolarHBondContact OG-NH2 2.88Å | ||
| 225 | V | 96.9 | Very high | 94.4 | Very high | 6 Ų | 6 | 39.2 Ų | 39.2 | 4% | 0.036 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -43.1 | -177.5 | 173.9 | 0 | 0 | 0 | 0 | 113 | G196 F464 I548 R549 | G196-V225 VanDerWaalsContact O-CG2 3.28Å; G196-V225 WeakPolarHBondContact O-CG2 3.49Å; V225-F464 HydrophobicContact CB-CE2 4Å; V225-F464 HydrophobicContact CB-CZ 4.42Å; V225-F464 HydrophobicContact CG1-CE2 3.67Å; V225-F464 HydrophobicContact CG1-CZ 3.72Å; V225-I548 HydrophobicContact CB-CG2 4.25Å; V225-I548 HydrophobicContact CG1-CG2 4.27Å; V225-I548 HydrophobicContact CG2-CB 4.08Å; V225-I548 HydrophobicContact CG2-CD1 3.56Å; V225-I548 HydrophobicContact CG2-CG1 4.42Å; V225-I548 HydrophobicContact CG2-CG2 3.93Å; V225-R549 HydrophobicContact CG1-CG 3.86Å |
| 226 | E | 95.9 | Very high | 95.1 | Very high | 18 Ų | 18 | 36.2 Ų | 36.2 | 8% | 0.084 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -36.6 | 175.9 | 74.6 | -70.7 | 168.5 | 0 | 0 | 112.2 | S224 A228 V229 S230 R457 L460 K461 F464 | S224-E226 VanDerWaalsContact C-N 3.3Å; S224-E226 WeakPolarHBondContact CB-OE1 3.25Å; S224-E226 PolarHBondContact O-N 3.46Å; S224-E226 PolarHBondContact OG-OE1 3.38Å; S224-E226 PolarHBondContact OG-OE2 2.87Å; E226-A228 VanDerWaalsContact C-N 3.29Å; E226-A228 PolarHBondContact O-N 2.74Å; E226-V229 PolarHBondContact O-N 2.88Å; E226-S230 PolarHBondContact O-OG 3.19Å; E226-R457 HydrophobicContact CG-CB 4.1Å; E226-R457 HydrophobicContact CG-CG 4.38Å; E226-R457 IonicContact OE1-CZ 2.76Å; E226-R457 IonicContact OE1-NE 2.67Å; E226-R457 IonicContact OE1-NH2 3.15Å; E226-R457 PolarHBondContact OE1-NH2 3.14Å; E226-L460 HydrophobicContact CB-CD2 4.02Å; E226-L460 HydrophobicContact CB-CG 4.42Å; E226-K461 HydrophobicContact CB-CB 4.24Å; E226-K461 HydrophobicContact CG-CB 4.3Å; E226-K461 HydrophobicContact CG-CD 4.25Å; E226-F464 HydrophobicContact CB-CE2 3.88Å; E226-F464 HydrophobicContact CB-CZ 3.73Å |
| 227 | G | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -33 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S224 V229 S230 T231 | S224-G227 CarbonylContact O-C 3.53Å; S224-G227 PolarHBondContact O-N 2.96Å; S224-G227 PolarHBondContact OG-N 3.01Å; G227-V229 VanDerWaalsContact C-N 3.31Å; G227-V229 PolarHBondContact O-N 2.85Å; G227-S230 CarbonylContact O-C 3.5Å; G227-S230 PolarHBondContact O-N 2.91Å; G227-T231 WeakPolarHBondContact O-CA 3.31Å; G227-T231 WeakPolarHBondContact O-CB 3.28Å; G227-T231 PolarHBondContact O-N 2.87Å; G227-T231 PolarHBondContact O-OG1 3.01Å |
| 228 | A | 96.6 | Very high | 95.2 | Very high | 22 Ų | 22 | 34 Ų | 34 | 18% | 0.182 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -22.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | T198 L223 S224 E226 | T198-A228 HydrophobicContact CG2-CB 4.4Å; T198-A228 VanDerWaalsContact OG1-CB 3.29Å; T198-A228 WeakPolarHBondContact OG1-CB 3.44Å; L223-A228 HydrophobicContact CB-CB 4.12Å; L223-A228 HydrophobicContact CD1-CB 4.48Å; S224-A228 WeakPolarHBondContact O-CB 3.48Å; S224-A228 PolarHBondContact O-N 2.84Å; E226-A228 VanDerWaalsContact C-N 3.29Å; E226-A228 PolarHBondContact O-N 2.74Å |
| 229 | V | 95.9 | Very high | 95.1 | Very high | 40 Ų | 40 | 33.4 Ų | 33.4 | 24% | 0.242 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -35.2 | 175.3 | 177.3 | 0 | 0 | 0 | 0 | 111.2 | E226 G227 V453 L460 | E226-V229 PolarHBondContact O-N 2.88Å; G227-V229 VanDerWaalsContact C-N 3.31Å; G227-V229 PolarHBondContact O-N 2.85Å; V229-V453 HydrophobicContact CG1-CG1 3.74Å; V229-L460 HydrophobicContact CB-CD2 3.5Å; V229-L460 HydrophobicContact CG1-CD2 3.71Å; V229-L460 HydrophobicContact CG2-CD2 3.8Å |
| 230 | S | 95.9 | Very high | 94.8 | Very high | 5 Ų | 5 | 27.1 Ų | 27.1 | 4% | 0.035 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -112.8 | 14.5 | -173.8 | 57.8 | 0 | 0 | 0 | 0 | 113.3 | E226 G227 S248 A254 | E226-S230 PolarHBondContact O-OG 3.19Å; G227-S230 CarbonylContact O-C 3.5Å; G227-S230 PolarHBondContact O-N 2.91Å; S230-S248 WeakPolarHBondContact OG-CB 3.32Å; S230-S248 PolarHBondContact OG-OG 3.43Å; S230-A254 WeakPolarHBondContact O-CB 3.32Å |
| 231 | T | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -137.8 | 109 | 175.8 | -45.6 | 0 | 0 | 0 | 0 | 111.5 | K221 L223 G227 W245 Q246 N247 S248 E249 | K221-T231 HydrophobicContact CD-CG2 4.27Å; L223-T231 HydrophobicContact CD1-CG2 3.92Å; L223-T231 WeakPolarHBondContact CD1-O 3.48Å; L223-T231 HydrophobicContact CD2-CG2 3.84Å; G227-T231 WeakPolarHBondContact O-CA 3.31Å; G227-T231 WeakPolarHBondContact O-CB 3.28Å; G227-T231 PolarHBondContact O-N 2.87Å; G227-T231 PolarHBondContact O-OG1 3.01Å; T231-W245 HydrophobicContact CG2-CE3 4.33Å; T231-Q246 CarbonylContact C-O 3.59Å; T231-Q246 WeakPolarHBondContact CA-O 3.33Å; T231-N247 HydrophobicContact CG2-CB 4.47Å; T231-S248 PolarHBondContact OG1-N 2.96Å; T231-S248 VanDerWaalsContact OG1-N 3.11Å; T231-S248 PolarHBondContact OG1-OG 2.9Å; T231-E249 HydrophobicContact CG2-CG 4.36Å | ||
| 232 | Y | 96.4 | Very high | 94.6 | Very high | 82 Ų | 82 | 32.6 Ų | 32.6 | 32% | 0.322 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 155 | -177.4 | 56.3 | -89 | 0 | 0 | 0 | 111.5 | L234 W245 Q246 | Y232-L234 HydrophobicContact CD2-CD2 4.35Å; Y232-L234 HydrophobicContact CE2-CD2 3.68Å; Y232-L234 PolarHBondContact O-N 3.46Å; Y232-W245 WeakPolarHBondContact O-CA 3.35Å; Y232-Q246 HydrophobicContact CD1-CB 4.26Å; Y232-Q246 HydrophobicContact CE1-CB 3.96Å; Y232-Q246 HydrophobicContact CE1-CG 4.06Å; Y232-Q246 HydrophobicContact CE2-CB 4.34Å; Y232-Q246 PolarHBondContact N-O 3.09Å; Y232-Q246 PolarHBondContact O-N 3.09Å; Y232-Q246 PolarHBondContact OH-OE1 3.22Å |
| 233 | P | 96.2 | Very high | 94.6 | Very high | 13 Ų | 13 | 30.5 Ų | 30.5 | 8% | 0.084 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 126.1 | 175.5 | -18.4 | 31 | 0 | 0 | 0 | 109.8 | F179 L188 Y200 I243 W245 | F179-P233 HydrophobicContact CD1-CB 3.98Å; F179-P233 HydrophobicContact CD1-CG 3.87Å; F179-P233 HydrophobicContact CD2-CG 4.47Å; F179-P233 HydrophobicContact CE1-CB 3.9Å; F179-P233 HydrophobicContact CE1-CG 3.56Å; F179-P233 HydrophobicContact CE2-CG 4.24Å; F179-P233 HydrophobicContact CG-CG 4.32Å; F179-P233 HydrophobicContact CZ-CG 3.77Å; L188-P233 HydrophobicContact CD1-CG 3.85Å; Y200-P233 HydrophobicContact CE1-CG 3.94Å; Y200-P233 WeakPolarHBondContact OH-CD 3.4Å; P233-I243 HydrophobicContact CB-CG2 4Å; P233-W245 HydrophobicContact CB-CZ3 4.45Å; P233-W245 VanDerWaalsContact CD-CZ3 3.4Å; P233-W245 HydrophobicContact CG-CE3 4.08Å; P233-W245 HydrophobicContact CG-CH2 3.64Å; P233-W245 HydrophobicContact CG-CZ2 4.27Å; P233-W245 HydrophobicContact CG-CZ3 3.55Å |
| 234 | L | 95.7 | Very high | 94.6 | Very high | 47 Ų | 47 | 31 Ų | 31 | 25% | 0.246 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | -45.9 | 171.7 | -69.3 | 168.4 | 0 | 0 | 0 | 111 | Y232 Y244 Q246 V256 V280 W282 | Y232-L234 HydrophobicContact CD2-CD2 4.35Å; Y232-L234 HydrophobicContact CE2-CD2 3.68Å; Y232-L234 PolarHBondContact O-N 3.46Å; L234-Y244 WeakPolarHBondContact CB-O 3.47Å; L234-Y244 PolarHBondContact N-O 3.26Å; L234-Q246 HydrophobicContact CD1-CB 3.98Å; L234-Q246 HydrophobicContact CD2-CB 4.11Å; L234-Q246 HydrophobicContact CG-CB 3.97Å; L234-Q246 VanDerWaalsContact CG-N 3.32Å; L234-V256 HydrophobicContact CD1-CG1 4.44Å; L234-V256 HydrophobicContact CD1-CG2 4.31Å; L234-V280 HydrophobicContact CD1-CG2 4.01Å; L234-W282 HydrophobicContact CB-CH2 3.79Å; L234-W282 HydrophobicContact CB-CZ2 3.59Å; L234-W282 HydrophobicContact CD1-CH2 4.14Å; L234-W282 HydrophobicContact CD1-CZ2 4.05Å; L234-W282 HydrophobicContact CG-CZ2 4.33Å |
| 235 | H | 93.3 | Very high | 94.6 | Very high | 27 Ų | 27 | 30.4 Ų | 30.4 | 13% | 0.125 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 163.4 | -170 | -146.8 | -75 | 0 | 0 | 0 | 112.1 | Y182 Y244 W282 F287 | Y182-H235 AromaticContact CZ-CE1 3.69Å; Y182-H235 PolarHBondContact OH-CE1 2.98Å; Y182-H235 PolarHBondContact OH-NE2 3.44Å; H235-Y244 HydrophobicContact CB-CD2 4.06Å; H235-Y244 PolarHBondContact N-O 2.85Å; H235-Y244 PolarHBondContact O-N 3.47Å; H235-W282 HydrophobicContact CB-CD2 4.14Å; H235-W282 HydrophobicContact CB-CE3 3.87Å; H235-W282 HydrophobicContact CB-CH2 3.69Å; H235-W282 HydrophobicContact CB-CZ2 3.97Å; H235-W282 HydrophobicContact CB-CZ3 3.63Å; H235-W282 AromaticContact CD2-CD2 3.93Å; H235-W282 AromaticContact CG-CE3 4Å; H235-F287 WeakPolarHBondContact CE1-CB 3.49Å; H235-F287 AromaticContact CE1-CD1 3.11Å; H235-F287 WeakPolarHBondContact CE1-CD1 3.48Å; H235-F287 AromaticContact CE1-CD2 3.76Å; H235-F287 AromaticContact CE1-CE1 3.86Å; H235-F287 AromaticContact CE1-CG 3.05Å; H235-F287 WeakPolarHBondContact CE1-CG 3.48Å; H235-F287 VanDerWaalsContact ND1-CB 3.34Å; H235-F287 WeakPolarHBondContact ND1-CB 3.3Å; H235-F287 AromaticContact ND1-CG 3.81Å; H235-F287 AromaticContact NE2-CD1 3.38Å; H235-F287 WeakPolarHBondContact NE2-CD1 3.46Å; H235-F287 AromaticContact NE2-CE1 3.97Å; H235-F287 AromaticContact NE2-CG 3.82Å |
| 236 | F | 92.6 | Very high | 94.7 | Very high | 14 Ų | 14 | 30.8 Ų | 30.8 | 6% | 0.061 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 145.5 | 170.2 | -59.7 | -90 | 0 | 0 | 0 | 110.1 | F179 I187 I242 I243 | F179-F236 HydrophobicContact CB-CE2 4.18Å; F179-F236 HydrophobicContact CB-CZ 3.83Å; I187-F236 HydrophobicContact CB-CE1 4.15Å; I187-F236 HydrophobicContact CB-CZ 4.5Å; I187-F236 HydrophobicContact CD1-CD1 3.92Å; I187-F236 HydrophobicContact CD1-CE1 3.99Å; I187-F236 HydrophobicContact CG2-CE1 3.89Å; F236-I242 WeakPolarHBondContact CA-O 3.39Å; F236-I243 HydrophobicContact CD1-CD1 4.32Å; F236-I243 HydrophobicContact CD1-CG1 3.69Å; F236-I243 HydrophobicContact CE1-CD1 3.66Å; F236-I243 HydrophobicContact CE1-CG1 3.55Å; F236-I243 HydrophobicContact CE1-CG2 4.44Å |
| 237 | S | 92.4 | Very high | 94.8 | Very high | 8 Ų | 8 | 30.1 Ų | 30.1 | 6% | 0.056 | 15% | 0.153 | C | C | . | . | trans | -62.6 | 153.8 | 168.1 | 59.2 | 0 | 0 | 0 | 0 | 110.6 | D239 N240 K241 I242 | S237-D239 WeakPolarHBondContact CB-OD1 3.18Å; S237-D239 PolarHBondContact O-N 3.09Å; S237-D239 VanDerWaalsContact O-N 3.12Å; S237-D239 PolarHBondContact OG-OD1 3.38Å; S237-N240 WeakPolarHBondContact O-CA 3.3Å; S237-N240 PolarHBondContact O-N 3.12Å; S237-N240 PolarHBondContact O-OD1 3.44Å; S237-K241 PolarHBondContact OG-N 2.99Å; S237-I242 PolarHBondContact N-O 2.95Å; S237-I242 PolarHBondContact OG-N 3.31Å; S237-I242 PolarHBondContact OG-O 3.4Å | ||
| 238 | N | 88.5 | Confident | 94.8 | Very high | 70 Ų | 70 | 30.1 Ų | 30.1 | 37% | 0.374 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -26.1 | -178.8 | -169.4 | 46.2 | 0 | 0 | 0 | 114 | H136 N240 F287 | H136-N238 PolarHBondContact CE1-OD1 3.39Å; H136-N238 PolarHBondContact NE2-OD1 2.9Å; N238-N240 VanDerWaalsContact C-N 3.34Å; N238-F287 HydrophobicContact CB-CD2 4.28Å |
| 239 | D | 88.9 | Confident | 94.8 | Very high | 89 Ų | 89 | 31.9 Ų | 31.9 | 48% | 0.476 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 3.6 | 175.6 | 73.5 | -15.7 | 0 | 0 | 0 | 114 | S237 K241 | S237-D239 WeakPolarHBondContact CB-OD1 3.18Å; S237-D239 PolarHBondContact O-N 3.09Å; S237-D239 VanDerWaalsContact O-N 3.12Å; S237-D239 PolarHBondContact OG-OD1 3.38Å; D239-K241 PolarHBondContact O-N 2.79Å; D239-K241 PolarHBondContact OD1-N 3.44Å; D239-K241 VanDerWaalsContact OD2-CD 3.28Å; D239-K241 WeakPolarHBondContact OD2-CD 3.44Å; D239-K241 IonicContact OD2-NZ 3.12Å |
| 240 | N | 87.8 | Confident | 94.7 | Very high | 27 Ų | 27 | 34.1 Ų | 34.1 | 14% | 0.144 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 57.3 | 26.4 | -179.6 | -53.9 | -46.6 | 0 | 0 | 0 | 114.8 | D181 R185 I187 S237 N238 L261 | D181-N240 VanDerWaalsContact CB-OD1 3.23Å; D181-N240 WeakPolarHBondContact CB-OD1 3.19Å; D181-N240 PolarHBondContact OD2-ND2 3.22Å; R185-N240 PolarHBondContact NH2-ND2 3.01Å; R185-N240 VanDerWaalsContact NH2-ND2 3.12Å; I187-N240 HydrophobicContact CD1-CB 4.3Å; S237-N240 WeakPolarHBondContact O-CA 3.3Å; S237-N240 PolarHBondContact O-N 3.12Å; S237-N240 PolarHBondContact O-OD1 3.44Å; N238-N240 VanDerWaalsContact C-N 3.34Å; N240-L261 WeakPolarHBondContact O-CD1 3.27Å |
| 241 | K | 92.2 | Very high | 94.7 | Very high | 105 Ų | 105 | 36.7 Ų | 36.7 | 46% | 0.457 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -97.3 | -23.8 | 176.7 | -64.9 | -172.9 | -169.6 | 163.2 | 0 | 113.9 | S237 D239 H260 L261 | S237-K241 PolarHBondContact OG-N 2.99Å; D239-K241 PolarHBondContact O-N 2.79Å; D239-K241 PolarHBondContact OD1-N 3.44Å; D239-K241 VanDerWaalsContact OD2-CD 3.28Å; D239-K241 WeakPolarHBondContact OD2-CD 3.44Å; D239-K241 IonicContact OD2-NZ 3.12Å; K241-H260 WeakPolarHBondContact O-CA 3.39Å; K241-L261 WeakPolarHBondContact O-CB 3.46Å; K241-L261 PolarHBondContact O-N 2.97Å |
| 242 | I | 95.7 | Very high | 94.7 | Very high | 49 Ų | 49 | 39.3 Ų | 39.3 | 25% | 0.251 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 134.9 | -175.8 | -61.2 | 171.2 | 0 | 0 | 0 | 108.9 | F236 S237 Y244 A258 E259 | F236-I242 WeakPolarHBondContact CA-O 3.39Å; S237-I242 PolarHBondContact N-O 2.95Å; S237-I242 PolarHBondContact OG-N 3.31Å; S237-I242 PolarHBondContact OG-O 3.4Å; I242-Y244 HydrophobicContact CG2-CE1 4.27Å; I242-Y244 HydrophobicContact CG2-CE2 4.46Å; I242-A258 HydrophobicContact CG2-CB 3.7Å; I242-E259 WeakPolarHBondContact CA-O 3.49Å |
| 243 | I | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 128.2 | 162.2 | -56.4 | -176.8 | 0 | 0 | 0 | 108.1 | L188 P233 F236 W245 E259 L261 | L188-I243 HydrophobicContact CD1-CD1 3.38Å; L188-I243 HydrophobicContact CD2-CD1 4.38Å; L188-I243 HydrophobicContact CG-CD1 3.91Å; P233-I243 HydrophobicContact CB-CG2 4Å; F236-I243 HydrophobicContact CD1-CD1 4.32Å; F236-I243 HydrophobicContact CD1-CG1 3.69Å; F236-I243 HydrophobicContact CE1-CD1 3.66Å; F236-I243 HydrophobicContact CE1-CG1 3.55Å; F236-I243 HydrophobicContact CE1-CG2 4.44Å; I243-W245 HydrophobicContact CB-CZ2 4.4Å; I243-W245 VanDerWaalsContact CB-NE1 3.34Å; I243-W245 HydrophobicContact CD1-CZ2 3.85Å; I243-W245 HydrophobicContact CG2-CD2 3.96Å; I243-W245 VanDerWaalsContact CG2-CE2 3.43Å; I243-W245 HydrophobicContact CG2-CG 4.02Å; I243-W245 HydrophobicContact CG2-CZ2 3.92Å; I243-E259 PolarHBondContact N-O 3Å; I243-E259 PolarHBondContact O-N 3.4Å; I243-L261 HydrophobicContact CD1-CD1 4.5Å; I243-L261 HydrophobicContact CD1-CD2 3.36Å; I243-L261 HydrophobicContact CD1-CG 4.06Å; I243-L261 HydrophobicContact CG1-CD1 4.11Å; I243-L261 HydrophobicContact CG1-CD2 3.71Å; I243-L261 HydrophobicContact CG1-CG 3.8Å |
| 244 | Y | 97.6 | Very high | 94.9 | Very high | 16 Ų | 16 | 37 Ų | 37 | 6% | 0.063 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 125.1 | 163.4 | -58.7 | -79.2 | 0 | 0 | 0 | 108.9 | L234 H235 I242 T257 A258 W282 F287 P289 | L234-Y244 WeakPolarHBondContact CB-O 3.47Å; L234-Y244 PolarHBondContact N-O 3.26Å; H235-Y244 HydrophobicContact CB-CD2 4.06Å; H235-Y244 PolarHBondContact N-O 2.85Å; H235-Y244 PolarHBondContact O-N 3.47Å; I242-Y244 HydrophobicContact CG2-CE1 4.27Å; I242-Y244 HydrophobicContact CG2-CE2 4.46Å; Y244-T257 CarbonylContact C-O 3.57Å; Y244-T257 WeakPolarHBondContact CA-O 3.22Å; Y244-A258 HydrophobicContact CD1-CB 3.99Å; Y244-A258 HydrophobicContact CE1-CB 3.94Å; Y244-W282 HydrophobicContact CD1-CZ3 4.32Å; Y244-W282 AromaticContact CD2-CZ3 3.88Å; Y244-W282 HydrophobicContact CD2-CZ3 3.88Å; Y244-W282 HydrophobicContact CG-CH2 4.15Å; Y244-W282 AromaticContact CG-CZ3 3.73Å; Y244-W282 HydrophobicContact CG-CZ3 3.73Å; Y244-F287 WeakPolarHBondContact CE2-O 3.25Å; Y244-P289 HydrophobicContact CD1-CG 4.27Å; Y244-P289 HydrophobicContact CE1-CG 4.1Å |
| 245 | W | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 142.5 | -177.8 | -65.2 | 86.8 | 0 | 0 | 0 | 110.3 | L188 Y200 Y220 K221 T231 Y232 P233 I243 N247 V256 T257 E259 | L188-W245 HydrophobicContact CD1-CH2 3.68Å; L188-W245 HydrophobicContact CD1-CZ2 3.75Å; Y200-W245 HydrophobicContact CD1-CH2 4.09Å; Y200-W245 HydrophobicContact CD1-CZ3 4.46Å; Y200-W245 HydrophobicContact CD2-CH2 4.37Å; Y200-W245 HydrophobicContact CD2-CZ3 4.35Å; Y200-W245 HydrophobicContact CE1-CH2 4.25Å; Y200-W245 HydrophobicContact CE1-CZ3 4.21Å; Y200-W245 HydrophobicContact CE2-CZ3 4.11Å; Y200-W245 HydrophobicContact CG-CH2 4.15Å; Y220-W245 HydrophobicContact CD1-CZ2 4.2Å; Y220-W245 HydrophobicContact CE1-CH2 4.39Å; Y220-W245 AromaticContact CE1-CZ2 3.62Å; Y220-W245 HydrophobicContact CE1-CZ2 3.62Å; K221-W245 HydrophobicContact CD-CH2 4.44Å; K221-W245 HydrophobicContact CD-CZ3 4.31Å; T231-W245 HydrophobicContact CG2-CE3 4.33Å; Y232-W245 WeakPolarHBondContact O-CA 3.35Å; P233-W245 HydrophobicContact CB-CZ3 4.45Å; P233-W245 VanDerWaalsContact CD-CZ3 3.4Å; P233-W245 HydrophobicContact CG-CE3 4.08Å; P233-W245 HydrophobicContact CG-CH2 3.64Å; P233-W245 HydrophobicContact CG-CZ2 4.27Å; P233-W245 HydrophobicContact CG-CZ3 3.55Å; I243-W245 HydrophobicContact CB-CZ2 4.4Å; I243-W245 VanDerWaalsContact CB-NE1 3.34Å; I243-W245 HydrophobicContact CD1-CZ2 3.85Å; I243-W245 HydrophobicContact CG2-CD2 3.96Å; I243-W245 VanDerWaalsContact CG2-CE2 3.43Å; I243-W245 HydrophobicContact CG2-CG 4.02Å; I243-W245 HydrophobicContact CG2-CZ2 3.92Å; W245-N247 HydrophobicContact CB-CB 4Å; W245-V256 WeakPolarHBondContact O-CA 3.46Å; W245-T257 PolarHBondContact N-O 3.43Å; W245-T257 PolarHBondContact O-N 2.75Å; W245-E259 PolarHBondContact NE1-OE2 2.81Å |
| 246 | Q | 98.2 | Very high | 95.3 | Very high | 14 Ų | 14 | 33.4 Ų | 33.4 | 7% | 0.065 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 128.5 | 145.6 | -177.8 | 150.7 | 3.3 | 0 | 0 | 105.4 | T231 Y232 L234 A254 A255 V277 | T231-Q246 CarbonylContact C-O 3.59Å; T231-Q246 WeakPolarHBondContact CA-O 3.33Å; Y232-Q246 HydrophobicContact CD1-CB 4.26Å; Y232-Q246 HydrophobicContact CE1-CB 3.96Å; Y232-Q246 HydrophobicContact CE1-CG 4.06Å; Y232-Q246 HydrophobicContact CE2-CB 4.34Å; Y232-Q246 PolarHBondContact N-O 3.09Å; Y232-Q246 PolarHBondContact O-N 3.09Å; Y232-Q246 PolarHBondContact OH-OE1 3.22Å; L234-Q246 HydrophobicContact CD1-CB 3.98Å; L234-Q246 HydrophobicContact CD2-CB 4.11Å; L234-Q246 HydrophobicContact CG-CB 3.97Å; L234-Q246 VanDerWaalsContact CG-N 3.32Å; Q246-A254 HydrophobicContact CG-CB 3.71Å; Q246-A255 CarbonylContact C-O 3.58Å; Q246-A255 WeakPolarHBondContact CA-O 3.32Å; Q246-V277 PolarHBondContact NE2-O 3.4Å |
| 247 | N | 98.1 | Very high | 95.5 | Very high | 5 Ų | 5 | 32.8 Ų | 32.8 | 3% | 0.027 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 115.3 | -165.1 | -171 | -7 | 0 | 0 | 0 | 113.5 | T231 W245 E249 R251 A254 A255 T257 | T231-N247 HydrophobicContact CG2-CB 4.47Å; W245-N247 HydrophobicContact CB-CB 4Å; N247-E249 VanDerWaalsContact OD1-CB 3.25Å; N247-E249 WeakPolarHBondContact OD1-CB 3.38Å; N247-E249 WeakPolarHBondContact OD1-CG 3.18Å; N247-E249 PolarHBondContact OD1-N 2.66Å; N247-E249 PolarHBondContact OD1-OE2 3.48Å; N247-R251 WeakPolarHBondContact O-CD 3.36Å; N247-R251 PolarHBondContact O-NH1 3.07Å; N247-R251 PolarHBondContact OD1-NH1 2.84Å; N247-A254 WeakPolarHBondContact O-CA 3.25Å; N247-A255 PolarHBondContact N-O 3.07Å; N247-A255 PolarHBondContact O-N 3.35Å; N247-T257 HydrophobicContact CB-CG2 3.82Å; N247-T257 WeakPolarHBondContact CB-OG1 3.49Å; N247-T257 PolarHBondContact ND2-OG1 3.41Å |
| 248 | S | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -108.9 | 14 | 175.8 | 71.6 | 0 | 0 | 0 | 0 | 113.4 | S230 T231 G250 R251 R457 | S230-S248 WeakPolarHBondContact OG-CB 3.32Å; S230-S248 PolarHBondContact OG-OG 3.43Å; T231-S248 PolarHBondContact OG1-N 2.96Å; T231-S248 VanDerWaalsContact OG1-N 3.11Å; T231-S248 PolarHBondContact OG1-OG 2.9Å; S248-G250 PolarHBondContact O-N 2.91Å; S248-R251 PolarHBondContact O-N 3.04Å; S248-R457 WeakPolarHBondContact O-CD 3.46Å; S248-R457 PolarHBondContact O-NH1 3.25Å; S248-R457 WeakPolarHBondContact OG-CD 3.45Å | ||
| 249 | E | 96 | Very high | 96.3 | Very high | 59 Ų | 59 | 29.9 Ų | 29.9 | 28% | 0.276 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 128.3 | 176.2 | -65.2 | 176 | 106.7 | 0 | 0 | 110.9 | K221 L223 T231 N247 R251 | K221-E249 WeakPolarHBondContact CD-OE2 3.49Å; K221-E249 WeakPolarHBondContact CE-OE2 3.45Å; K221-E249 WeakPolarHBondContact CG-OE1 3.42Å; K221-E249 IonicContact NZ-OE1 2.83Å; K221-E249 IonicContact NZ-OE2 3.68Å; K221-E249 PolarHBondContact NZ-OE2 2.88Å; L223-E249 HydrophobicContact CD2-CG 3.76Å; T231-E249 HydrophobicContact CG2-CG 4.36Å; N247-E249 VanDerWaalsContact OD1-CB 3.25Å; N247-E249 WeakPolarHBondContact OD1-CB 3.38Å; N247-E249 WeakPolarHBondContact OD1-CG 3.18Å; N247-E249 PolarHBondContact OD1-N 2.66Å; N247-E249 PolarHBondContact OD1-OE2 3.48Å; E249-R251 VanDerWaalsContact O-CZ 3.3Å; E249-R251 PolarHBondContact O-N 3.19Å; E249-R251 PolarHBondContact O-NH1 3.32Å; E249-R251 PolarHBondContact O-NH2 3.25Å |
| 250 | G | 94.6 | Very high | 96.6 | Very high | 86 Ų | 86 | 28.1 Ų | 28.1 | 89% | 0.887 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.2 | 7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115 | S248 | S248-G250 PolarHBondContact O-N 2.91Š|
| 251 | R | 96.4 | Very high | 96.9 | Very high | 59 Ų | 59 | 27 Ų | 27 | 22% | 0.223 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -144.6 | 165.1 | -178.8 | 62.8 | -174.7 | 73.1 | 77.3 | 12.1 | 111.6 | N247 S248 E249 K253 E271 R457 | N247-R251 WeakPolarHBondContact O-CD 3.36Å; N247-R251 PolarHBondContact O-NH1 3.07Å; N247-R251 PolarHBondContact OD1-NH1 2.84Å; S248-R251 PolarHBondContact O-N 3.04Å; E249-R251 VanDerWaalsContact O-CZ 3.3Å; E249-R251 PolarHBondContact O-N 3.19Å; E249-R251 PolarHBondContact O-NH1 3.32Å; E249-R251 PolarHBondContact O-NH2 3.25Å; R251-K253 WeakPolarHBondContact CD-O 3.4Å; R251-K253 WeakPolarHBondContact CG-O 3.32Å; R251-E271 IonicContact NE-OE1 3.86Å; R251-R457 VanDerWaalsContact O-CD 3.32Å; R251-R457 WeakPolarHBondContact O-CD 3.39Å |
| 252 | D | 97.5 | Very high | 96.8 | Very high | 55 Ų | 55 | 25.8 Ų | 25.8 | 29% | 0.294 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -84.8 | -50.4 | 176.3 | -175.6 | 49.6 | 0 | 0 | 0 | 111.9 | G456 R457 S458 | D252-G456 CarbonylContact O-C 3.54Å; D252-G456 WeakPolarHBondContact O-CA 3.21Å; D252-R457 PolarHBondContact O-N 3.13Å; D252-R457 PolarHBondContact OD1-N 2.84Å; D252-R457 VanDerWaalsContact OD1-N 3.12Å; D252-S458 VanDerWaalsContact CG-OG 3.25Å; D252-S458 VanDerWaalsContact OD1-CB 3.24Å; D252-S458 WeakPolarHBondContact OD1-CB 3.29Å; D252-S458 PolarHBondContact OD1-N 3.47Å; D252-S458 PolarHBondContact OD1-OG 3.31Å; D252-S458 PolarHBondContact OD2-OG 2.76Å |
| 253 | K | 98 | Very high | 96.8 | Very high | 46 Ų | 46 | 27.9 Ų | 27.9 | 20% | 0.2 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -88.4 | 133.9 | 180 | -54 | -61.6 | -176.8 | -107 | 0 | 111.2 | R251 A255 P272 M274 D276 Y455 | R251-K253 WeakPolarHBondContact CD-O 3.4Å; R251-K253 WeakPolarHBondContact CG-O 3.32Å; K253-A255 PolarHBondContact O-N 3.05Å; K253-P272 HydrophobicContact CB-CG 3.77Å; K253-M274 WeakPolarHBondContact CE-O 3.2Å; K253-D276 WeakPolarHBondContact CA-OD1 3.29Å; K253-Y455 VanDerWaalsContact CE-O 3.28Å; K253-Y455 WeakPolarHBondContact CE-O 3.39Å; K253-Y455 PolarHBondContact NZ-O 2.8Å |
| 254 | A | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -75.4 | 115.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S230 Q246 N247 P272 D276 V277 | S230-A254 WeakPolarHBondContact O-CB 3.32Å; Q246-A254 HydrophobicContact CG-CB 3.71Å; N247-A254 WeakPolarHBondContact O-CA 3.25Å; A254-P272 WeakPolarHBondContact O-CG 3.34Å; A254-D276 HydrophobicContact CB-CB 3.92Å; A254-D276 PolarHBondContact N-OD1 3.34Å; A254-V277 PolarHBondContact O-N 3.46Å | ||
| 255 | A | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 169.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q246 N247 K253 T257 V268 Y270 | Q246-A255 CarbonylContact C-O 3.58Å; Q246-A255 WeakPolarHBondContact CA-O 3.32Å; N247-A255 PolarHBondContact N-O 3.07Å; N247-A255 PolarHBondContact O-N 3.35Å; K253-A255 PolarHBondContact O-N 3.05Å; A255-T257 HydrophobicContact CB-CG2 4.3Å; A255-V268 HydrophobicContact CB-CG1 4.27Å; A255-Y270 WeakPolarHBondContact CA-O 3.12Å; A255-Y270 WeakPolarHBondContact CB-O 3.39Å |
| 256 | V | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 123.5 | 160.2 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | L234 W245 I269 Y270 V277 V280 V292 | L234-V256 HydrophobicContact CD1-CG1 4.44Å; L234-V256 HydrophobicContact CD1-CG2 4.31Å; W245-V256 WeakPolarHBondContact O-CA 3.46Å; V256-I269 HydrophobicContact CB-CB 4.39Å; V256-I269 HydrophobicContact CG1-CB 4.12Å; V256-I269 HydrophobicContact CG1-CG2 4.43Å; V256-I269 WeakPolarHBondContact O-CB 3.36Å; V256-I269 PolarHBondContact O-N 3.29Å; V256-Y270 PolarHBondContact N-O 3.04Å; V256-Y270 PolarHBondContact O-N 3.3Å; V256-Y270 VanDerWaalsContact O-N 3.15Å; V256-V277 HydrophobicContact CG2-CB 4.28Å; V256-V277 HydrophobicContact CG2-CG1 3.87Å; V256-V277 HydrophobicContact CG2-CG2 4.16Å; V256-V280 HydrophobicContact CG2-CG2 3.65Å; V256-V292 HydrophobicContact CG2-CG1 3.91Å |
| 257 | T | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 142 | 178.1 | 64 | 0 | 0 | 0 | 0 | 111.4 | Y244 W245 N247 A255 T266 T267 V268 | Y244-T257 CarbonylContact C-O 3.57Å; Y244-T257 WeakPolarHBondContact CA-O 3.22Å; W245-T257 PolarHBondContact N-O 3.43Å; W245-T257 PolarHBondContact O-N 2.75Å; N247-T257 HydrophobicContact CB-CG2 3.82Å; N247-T257 WeakPolarHBondContact CB-OG1 3.49Å; N247-T257 PolarHBondContact ND2-OG1 3.41Å; A255-T257 HydrophobicContact CB-CG2 4.3Å; T257-T266 HydrophobicContact CG2-CG2 4.3Å; T257-T267 CarbonylContact C-O 3.05Å; T257-T267 VanDerWaalsContact CA-O 3.29Å; T257-T267 WeakPolarHBondContact CA-O 3.4Å; T257-V268 HydrophobicContact CG2-CG2 4.17Å |
| 258 | A | 98.1 | Very high | 96.7 | Very high | 11 Ų | 11 | 45.8 Ų | 45.8 | 9% | 0.091 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 116.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109 | I242 Y244 T266 T267 I269 | I242-A258 HydrophobicContact CG2-CB 3.7Å; Y244-A258 HydrophobicContact CD1-CB 3.99Å; Y244-A258 HydrophobicContact CE1-CB 3.94Å; A258-T266 CarbonylContact O-C 3.59Å; A258-T266 WeakPolarHBondContact O-CA 3.36Å; A258-T267 PolarHBondContact N-O 2.91Å; A258-T267 PolarHBondContact O-N 2.97Å; A258-I269 HydrophobicContact CB-CD1 3.77Å; A258-I269 HydrophobicContact CB-CG1 3.81Å |
| 259 | E | 97.9 | Very high | 96.7 | Very high | 6 Ų | 6 | 48.4 Ų | 48.4 | 3% | 0.028 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 121.4 | 177.1 | -175.9 | 175.1 | 172.6 | 0 | 0 | 109.5 | Y220 K221 I242 I243 W245 L261 H264 T266 | Y220-E259 VanDerWaalsContact CZ-OE1 3.3Å; Y220-E259 VanDerWaalsContact OH-CG 3.3Å; Y220-E259 WeakPolarHBondContact OH-CG 3.34Å; Y220-E259 PolarHBondContact OH-OE1 3.24Å; K221-E259 IonicContact NZ-OE2 3.87Å; K221-E259 PolarHBondContact NZ-OE2 3.48Å; I242-E259 WeakPolarHBondContact CA-O 3.49Å; I243-E259 PolarHBondContact N-O 3Å; I243-E259 PolarHBondContact O-N 3.4Å; W245-E259 PolarHBondContact NE1-OE2 2.81Å; E259-L261 PolarHBondContact O-N 2.7Å; E259-H264 IonicContact OE1-CG 3.13Å; E259-H264 IonicContact OE1-ND1 3.9Å; E259-H264 PolarHBondContact OE1-ND1 2.73Å; E259-H264 VanDerWaalsContact OE1-ND1 3.09Å; E259-T266 HydrophobicContact CB-CG2 4.5Å; E259-T266 WeakPolarHBondContact CG-OG1 3.29Å |
| 260 | H | 97 | Very high | 96.7 | Very high | 52 Ų | 52 | 48 Ų | 48 | 24% | 0.241 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 125.1 | 172.6 | -173.1 | -60.1 | 0 | 0 | 0 | 109.6 | K241 D262 T263 H264 F265 | K241-H260 WeakPolarHBondContact O-CA 3.39Å; H260-D262 IonicContact CE1-OD2 3.7Å; H260-D262 PolarHBondContact ND1-N 3.22Å; H260-D262 VanDerWaalsContact ND1-N 3.15Å; H260-D262 PolarHBondContact O-N 2.83Å; H260-T263 WeakPolarHBondContact CB-OG1 3.27Å; H260-T263 PolarHBondContact ND1-N 3.19Å; H260-H264 VanDerWaalsContact O-CA 3.27Å; H260-H264 WeakPolarHBondContact O-CA 3.31Å; H260-H264 PolarHBondContact O-N 3.35Å; H260-F265 PolarHBondContact N-O 2.92Å |
| 261 | L | 92.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -45.6 | -171.7 | -89.1 | 167.8 | 0 | 0 | 0 | 113.6 | I187 R202 Y220 N240 K241 I243 E259 | I187-L261 HydrophobicContact CG2-CD1 3.98Å; I187-L261 HydrophobicContact CG2-CD2 4.15Å; R202-L261 PolarHBondContact NH1-O 3.12Å; Y220-L261 HydrophobicContact CE2-CD2 4.18Å; N240-L261 WeakPolarHBondContact O-CD1 3.27Å; K241-L261 WeakPolarHBondContact O-CB 3.46Å; K241-L261 PolarHBondContact O-N 2.97Å; I243-L261 HydrophobicContact CD1-CD1 4.5Å; I243-L261 HydrophobicContact CD1-CD2 3.36Å; I243-L261 HydrophobicContact CD1-CG 4.06Å; I243-L261 HydrophobicContact CG1-CD1 4.11Å; I243-L261 HydrophobicContact CG1-CD2 3.71Å; I243-L261 HydrophobicContact CG1-CG 3.8Å; E259-L261 PolarHBondContact O-N 2.7Å |
| 262 | D | 91.4 | Very high | 96.8 | Very high | 80 Ų | 80 | 47.1 Ų | 47.1 | 43% | 0.428 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -42.9 | -177.5 | -61.2 | -56.1 | 0 | 0 | 0 | 115.1 | R202 R204 H260 | R202-D262 IonicContact CZ-OD1 2.79Å; R202-D262 VanDerWaalsContact NH1-CA 3.29Å; R202-D262 IonicContact NH1-OD1 2.67Å; R202-D262 PolarHBondContact NH1-OD1 2.91Å; R202-D262 IonicContact NH2-OD1 2.71Å; R202-D262 PolarHBondContact NH2-OD1 3.08Å; R202-D262 IonicContact NH2-OD2 3.68Å; R204-D262 IonicContact CZ-OD1 2.7Å; R204-D262 IonicContact NH2-OD1 3.16Å; R204-D262 PolarHBondContact NH2-OD1 2.86Å; R204-D262 VanDerWaalsContact NH2-OD1 3.13Å; H260-D262 IonicContact CE1-OD2 3.7Å; H260-D262 PolarHBondContact ND1-N 3.22Å; H260-D262 VanDerWaalsContact ND1-N 3.15Å; H260-D262 PolarHBondContact O-N 2.83Å |
| 263 | T | 94.9 | Very high | 96.5 | Very high | 94 Ų | 94 | 49.6 Ų | 49.6 | 58% | 0.577 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -12.3 | -173.6 | 64.2 | 0 | 0 | 0 | 0 | 112.8 | H260 F265 | H260-T263 WeakPolarHBondContact CB-OG1 3.27Å; H260-T263 PolarHBondContact ND1-N 3.19Å; T263-F265 PolarHBondContact O-N 3.19Å; T263-F265 WeakPolarHBondContact OG1-CB 3.49Å; T263-F265 PolarHBondContact OG1-N 3.13Å |
| 264 | H | 94.2 | Very high | 96.3 | Very high | 86 Ų | 86 | 51.8 Ų | 51.8 | 40% | 0.398 | 27% | 0.272 | S | S | . | . | trans | 57.4 | 11.7 | -170.9 | -63.5 | -87.6 | 0 | 0 | 0 | 114.4 | Y220 E259 H260 T266 | Y220-H264 AromaticContact CD2-CE1 3.34Å; Y220-H264 WeakPolarHBondContact CD2-CE1 3.23Å; Y220-H264 AromaticContact CE2-CE1 3.14Å; Y220-H264 WeakPolarHBondContact CE2-CE1 3.4Å; Y220-H264 AromaticContact CE2-ND1 3.53Å; Y220-H264 AromaticContact CZ-CE1 3.97Å; Y220-H264 AromaticContact CZ-ND1 3.92Å; E259-H264 IonicContact OE1-CG 3.13Å; E259-H264 IonicContact OE1-ND1 3.9Å; E259-H264 PolarHBondContact OE1-ND1 2.73Å; E259-H264 VanDerWaalsContact OE1-ND1 3.09Å; H260-H264 VanDerWaalsContact O-CA 3.27Å; H260-H264 WeakPolarHBondContact O-CA 3.31Å; H260-H264 PolarHBondContact O-N 3.35Å; H264-T266 PolarHBondContact O-N 3.43Å; H264-T266 VanDerWaalsContact O-N 3.11Å; H264-T266 PolarHBondContact O-OG1 3.38Å | ||
| 265 | F | 97.2 | Very high | 96.3 | Very high | 140 Ų | 140 | 51.8 Ų | 51.8 | 61% | 0.614 | 27% | 0.272 | S | S | * | . | trans | -63.7 | 118 | 174.7 | -178.3 | -101.1 | 0 | 0 | 0 | 108.8 | H260 T263 T267 | H260-F265 PolarHBondContact N-O 2.92Å; T263-F265 PolarHBondContact O-N 3.19Å; T263-F265 WeakPolarHBondContact OG1-CB 3.49Å; T263-F265 PolarHBondContact OG1-N 3.13Å; F265-T267 WeakPolarHBondContact CE1-OG1 3.3Å | ||
| 266 | T | 97.6 | Very high | 96.3 | Very high | 57 Ų | 57 | 52.3 Ų | 52.3 | 35% | 0.35 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 128.3 | -176 | -58.5 | 0 | 0 | 0 | 0 | 109.7 | T257 A258 E259 H264 | T257-T266 HydrophobicContact CG2-CG2 4.3Å; A258-T266 CarbonylContact O-C 3.59Å; A258-T266 WeakPolarHBondContact O-CA 3.36Å; E259-T266 HydrophobicContact CB-CG2 4.5Å; E259-T266 WeakPolarHBondContact CG-OG1 3.29Å; H264-T266 PolarHBondContact O-N 3.43Å; H264-T266 VanDerWaalsContact O-N 3.11Å; H264-T266 PolarHBondContact O-OG1 3.38Å |
| 267 | T | 97.8 | Very high | 96.3 | Very high | 63 Ų | 63 | 52.4 Ų | 52.4 | 39% | 0.387 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 133.7 | 171.3 | -60.7 | 0 | 0 | 0 | 0 | 109.4 | T257 A258 F265 I269 | T257-T267 CarbonylContact C-O 3.05Å; T257-T267 VanDerWaalsContact CA-O 3.29Å; T257-T267 WeakPolarHBondContact CA-O 3.4Å; A258-T267 PolarHBondContact N-O 2.91Å; A258-T267 PolarHBondContact O-N 2.97Å; F265-T267 WeakPolarHBondContact CE1-OG1 3.3Å; T267-I269 HydrophobicContact CG2-CD1 4.48Å; T267-I269 PolarHBondContact O-N 3.27Å |
| 268 | V | 97.9 | Very high | 96.1 | Very high | 65 Ų | 65 | 54.9 Ų | 54.9 | 39% | 0.394 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 116 | 170.6 | -177.4 | 0 | 0 | 0 | 0 | 107.8 | A255 T257 E271 | A255-V268 HydrophobicContact CB-CG1 4.27Å; T257-V268 HydrophobicContact CG2-CG2 4.17Å; V268-E271 HydrophobicContact CG1-CB 3.96Å |
| 269 | I | 97.4 | Very high | 96 | Very high | 54 Ų | 54 | 56.1 Ų | 56.1 | 28% | 0.277 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -40.8 | 178.8 | -60.5 | -59.5 | 0 | 0 | 0 | 109.9 | V256 A258 T267 P289 V304 | V256-I269 HydrophobicContact CB-CB 4.39Å; V256-I269 HydrophobicContact CG1-CB 4.12Å; V256-I269 HydrophobicContact CG1-CG2 4.43Å; V256-I269 WeakPolarHBondContact O-CB 3.36Å; V256-I269 PolarHBondContact O-N 3.29Å; A258-I269 HydrophobicContact CB-CD1 3.77Å; A258-I269 HydrophobicContact CB-CG1 3.81Å; T267-I269 HydrophobicContact CG2-CD1 4.48Å; T267-I269 PolarHBondContact O-N 3.27Å; I269-P289 HydrophobicContact CG2-CG 3.83Å; I269-V304 HydrophobicContact CG2-CB 4.4Å; I269-V304 HydrophobicContact CG2-CG1 3.35Å; I269-V304 HydrophobicContact CG2-CG2 4.11Å |
| 270 | Y | 97.6 | Very high | 96 | Very high | 51 Ų | 51 | 56.8 Ų | 56.8 | 20% | 0.2 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 130.4 | 176.3 | -173.3 | -88.7 | 0 | 0 | 0 | 110.3 | A255 V256 P272 V277 V292 E294 | A255-Y270 WeakPolarHBondContact CA-O 3.12Å; A255-Y270 WeakPolarHBondContact CB-O 3.39Å; V256-Y270 PolarHBondContact N-O 3.04Å; V256-Y270 PolarHBondContact O-N 3.3Å; V256-Y270 VanDerWaalsContact O-N 3.15Å; Y270-P272 HydrophobicContact CE1-CB 4.05Å; Y270-V277 HydrophobicContact CD1-CG2 3.83Å; Y270-V277 HydrophobicContact CE1-CG2 4.23Å; Y270-V292 HydrophobicContact CD1-CB 4.37Å; Y270-V292 HydrophobicContact CD1-CG2 3.56Å; Y270-V292 HydrophobicContact CD2-CG2 3.43Å; Y270-V292 VanDerWaalsContact CD2-CG2 3.43Å; Y270-V292 HydrophobicContact CE1-CG2 3.58Å; Y270-V292 HydrophobicContact CE2-CG2 3.46Å; Y270-V292 VanDerWaalsContact CE2-CG2 3.46Å; Y270-V292 HydrophobicContact CG-CB 4.37Å; Y270-V292 HydrophobicContact CG-CG1 4.23Å; Y270-V292 HydrophobicContact CG-CG2 3.46Å; Y270-V292 VanDerWaalsContact CG-CG2 3.46Å; Y270-E294 HydrophobicContact CE1-CG 4.08Å; Y270-E294 WeakPolarHBondContact CE1-OE1 3.39Å; Y270-E294 VanDerWaalsContact CZ-OE1 3.25Å; Y270-E294 PolarHBondContact OH-OE1 2.66Å |
| 271 | E | 96.2 | Very high | 96 | Very high | 117 Ų | 117 | 55 Ų | 55 | 55% | 0.547 | 30% | 0.297 | S | S | . | . | trans | -112.5 | 117.4 | 175.1 | -172.1 | 152.8 | -145.6 | 0 | 0 | 109.4 | R251 V268 | R251-E271 IonicContact NE-OE1 3.86Å; V268-E271 HydrophobicContact CG1-CB 3.96Å | ||
| 272 | P | 95.6 | Very high | 96.1 | Very high | 10 Ų | 10 | 57.2 Ų | 57.2 | 7% | 0.065 | 31% | 0.305 | C | S | . | . | trans | -78.9 | 162.5 | -178 | 35.9 | -40.1 | 0 | 0 | 0 | 111.9 | K253 A254 Y270 S275 V277 E294 | K253-P272 HydrophobicContact CB-CG 3.77Å; A254-P272 WeakPolarHBondContact O-CG 3.34Å; Y270-P272 HydrophobicContact CE1-CB 4.05Å; P272-S275 WeakPolarHBondContact CB-O 3.39Å; P272-S275 WeakPolarHBondContact CG-O 3.49Å; P272-V277 HydrophobicContact CB-CG2 4.09Å; P272-V277 HydrophobicContact CG-CG2 4.09Å; P272-E294 WeakPolarHBondContact CA-OE1 3.42Å; P272-E294 HydrophobicContact CB-CG 3.67Å; P272-E294 WeakPolarHBondContact CB-OE2 3.5Å | ||
| 273 | T | 92.5 | Very high | 96.3 | Very high | 106 Ų | 106 | 55.2 Ų | 55.2 | 65% | 0.65 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -103.2 | -42.4 | -172.3 | 58.8 | 0 | 0 | 0 | 0 | 113.1 | E294 | T273-E294 PolarHBondContact N-OE2 2.85Å; T273-E294 PolarHBondContact OG1-OE2 2.81Å |
| 274 | M | 93.2 | Very high | 96.2 | Very high | 93 Ų | 93 | 52.2 Ų | 52.2 | 46% | 0.458 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -120.6 | -31.6 | -168.2 | -67.6 | -63.6 | -66.5 | 0 | 0 | 113.7 | K253 E294 Y296 | K253-M274 WeakPolarHBondContact CE-O 3.2Å; M274-E294 PolarHBondContact N-OE2 2.94Å; M274-Y296 HydrophobicContact CB-CD1 4.2Å; M274-Y296 HydrophobicContact CB-CD2 4.05Å; M274-Y296 HydrophobicContact CB-CG 3.76Å; M274-Y296 HydrophobicContact CE-CD1 3.87Å; M274-Y296 HydrophobicContact CE-CE1 3.6Å; M274-Y296 HydrophobicContact CE-CE2 4.43Å; M274-Y296 HydrophobicContact CE-CG 4.42Å; M274-Y296 WeakPolarHBondContact O-CD2 3.32Å |
| 275 | S | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -129.4 | 172.7 | -179.9 | 67.5 | 0 | 0 | 0 | 0 | 110.3 | P272 N295 G454 | P272-S275 WeakPolarHBondContact CB-O 3.39Å; P272-S275 WeakPolarHBondContact CG-O 3.49Å; S275-N295 PolarHBondContact OG-N 3.24Å; S275-N295 VanDerWaalsContact OG-N 3.07Å; S275-G454 WeakPolarHBondContact CA-O 3.38Å; S275-G454 VanDerWaalsContact CB-O 3.23Å; S275-G454 WeakPolarHBondContact CB-O 3.45Å |
| 276 | D | 98.2 | Very high | 95.7 | Very high | 10 Ų | 10 | 46.6 Ų | 46.6 | 5% | 0.053 | 26% | 0.256 | C | S | . | . | trans | -62.7 | 156.5 | 160.7 | -59.6 | -38.6 | 0 | 0 | 0 | 109 | K253 A254 D278 G454 Y455 G456 | K253-D276 WeakPolarHBondContact CA-OD1 3.29Å; A254-D276 HydrophobicContact CB-CB 3.92Å; A254-D276 PolarHBondContact N-OD1 3.34Å; D276-D278 PolarHBondContact O-N 3.3Å; D276-G454 PolarHBondContact N-O 2.99Å; D276-G454 WeakPolarHBondContact OD2-CA 3.32Å; D276-G454 PolarHBondContact OD2-N 2.6Å; D276-Y455 PolarHBondContact OD2-N 3Å; D276-G456 VanDerWaalsContact OD1-CA 3.29Å; D276-G456 WeakPolarHBondContact OD1-CA 3.36Å; D276-G456 PolarHBondContact OD1-N 3.39Å; D276-G456 PolarHBondContact OD2-N 2.86Å; D276-G456 VanDerWaalsContact OD2-N 3.1Å | ||
| 277 | V | 97.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.012 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 124.3 | 163.9 | 172.4 | 0 | 0 | 0 | 0 | 108.3 | Q246 A254 V256 Y270 P272 A279 V280 V292 | Q246-V277 PolarHBondContact NE2-O 3.4Å; A254-V277 PolarHBondContact O-N 3.46Å; V256-V277 HydrophobicContact CG2-CB 4.28Å; V256-V277 HydrophobicContact CG2-CG1 3.87Å; V256-V277 HydrophobicContact CG2-CG2 4.16Å; Y270-V277 HydrophobicContact CD1-CG2 3.83Å; Y270-V277 HydrophobicContact CE1-CG2 4.23Å; P272-V277 HydrophobicContact CB-CG2 4.09Å; P272-V277 HydrophobicContact CG-CG2 4.09Å; V277-A279 WeakPolarHBondContact CG1-O 3.27Å; V277-V280 HydrophobicContact CG1-CG2 3.87Å; V277-V292 HydrophobicContact CG1-CB 4.13Å; V277-V292 HydrophobicContact CG1-CG1 4.39Å |
| 278 | D | 96 | Very high | 95.3 | Very high | 52 Ų | 52 | 46.2 Ų | 46.2 | 28% | 0.278 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -40 | -175 | -166.9 | 49.8 | 0 | 0 | 0 | 111.1 | D276 E293 N295 Y427 | D276-D278 PolarHBondContact O-N 3.3Å; D278-E293 PolarHBondContact N-O 2.94Å; D278-N295 HydrophobicContact CB-CB 3.74Å; D278-N295 WeakPolarHBondContact OD2-CB 3.49Å; D278-N295 PolarHBondContact OD2-ND2 2.85Å; D278-Y427 WeakPolarHBondContact OD1-CE1 3.5Å; D278-Y427 PolarHBondContact OD1-OH 3.24Å |
| 279 | A | 95.8 | Very high | 95.2 | Very high | 37 Ų | 37 | 43.5 Ų | 43.5 | 31% | 0.306 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 158.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V277 V292 E293 | V277-A279 WeakPolarHBondContact CG1-O 3.27Å; A279-V292 CarbonylContact O-C 3.56Å; A279-V292 WeakPolarHBondContact O-CA 3.38Å; A279-E293 HydrophobicContact CB-CB 4.18Å; A279-E293 HydrophobicContact CB-CG 4.42Å; A279-E293 PolarHBondContact N-O 3.14Å; A279-E293 PolarHBondContact O-N 2.85Å |
| 280 | V | 97.4 | Very high | 95.2 | Very high | 21 Ų | 21 | 41 Ų | 41 | 13% | 0.127 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 130.3 | 173.1 | -172.7 | 0 | 0 | 0 | 0 | 108.4 | L234 V256 V277 W282 P289 I291 V292 | L234-V280 HydrophobicContact CD1-CG2 4.01Å; V256-V280 HydrophobicContact CG2-CG2 3.65Å; V277-V280 HydrophobicContact CG1-CG2 3.87Å; V280-W282 HydrophobicContact CB-CH2 4.26Å; V280-W282 HydrophobicContact CB-CZ2 3.51Å; V280-W282 HydrophobicContact CG1-CD2 4.08Å; V280-W282 HydrophobicContact CG1-CE3 4.33Å; V280-W282 HydrophobicContact CG1-CH2 3.79Å; V280-W282 HydrophobicContact CG1-CZ2 3.46Å; V280-W282 VanDerWaalsContact CG1-CZ2 3.46Å; V280-W282 HydrophobicContact CG1-CZ3 4.22Å; V280-W282 HydrophobicContact CG2-CZ2 4.11Å; V280-W282 VanDerWaalsContact O-CD1 3.3Å; V280-W282 PolarHBondContact O-NE1 3.2Å; V280-P289 HydrophobicContact CG1-CB 3.77Å; V280-I291 WeakPolarHBondContact CA-O 3.41Å; V280-V292 HydrophobicContact CG1-CG1 4.3Å; V280-V292 HydrophobicContact CG2-CG1 4.16Å |
| 281 | S | 96.6 | Very high | 95.2 | Very high | 15 Ų | 15 | 38.6 Ų | 38.6 | 11% | 0.105 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 138.4 | 168.6 | -66.3 | 0 | 0 | 0 | 0 | 110.4 | L290 I291 | S281-L290 PolarHBondContact O-N 3.47Å; S281-I291 VanDerWaalsContact CB-CG1 3.45Å; S281-I291 PolarHBondContact N-O 3.29Å |
| 282 | W | 95.3 | Very high | 95.2 | Very high | 49 Ų | 49 | 33 Ų | 33 | 19% | 0.186 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 144.6 | -172.4 | -51.7 | 89.6 | 0 | 0 | 0 | 111.1 | L234 H235 Y244 V280 F287 P289 | L234-W282 HydrophobicContact CB-CH2 3.79Å; L234-W282 HydrophobicContact CB-CZ2 3.59Å; L234-W282 HydrophobicContact CD1-CH2 4.14Å; L234-W282 HydrophobicContact CD1-CZ2 4.05Å; L234-W282 HydrophobicContact CG-CZ2 4.33Å; H235-W282 HydrophobicContact CB-CD2 4.14Å; H235-W282 HydrophobicContact CB-CE3 3.87Å; H235-W282 HydrophobicContact CB-CH2 3.69Å; H235-W282 HydrophobicContact CB-CZ2 3.97Å; H235-W282 HydrophobicContact CB-CZ3 3.63Å; H235-W282 AromaticContact CD2-CD2 3.93Å; H235-W282 AromaticContact CG-CE3 4Å; Y244-W282 HydrophobicContact CD1-CZ3 4.32Å; Y244-W282 AromaticContact CD2-CZ3 3.88Å; Y244-W282 HydrophobicContact CD2-CZ3 3.88Å; Y244-W282 HydrophobicContact CG-CH2 4.15Å; Y244-W282 AromaticContact CG-CZ3 3.73Å; Y244-W282 HydrophobicContact CG-CZ3 3.73Å; V280-W282 HydrophobicContact CB-CH2 4.26Å; V280-W282 HydrophobicContact CB-CZ2 3.51Å; V280-W282 HydrophobicContact CG1-CD2 4.08Å; V280-W282 HydrophobicContact CG1-CE3 4.33Å; V280-W282 HydrophobicContact CG1-CH2 3.79Å; V280-W282 HydrophobicContact CG1-CZ2 3.46Å; V280-W282 VanDerWaalsContact CG1-CZ2 3.46Å; V280-W282 HydrophobicContact CG1-CZ3 4.22Å; V280-W282 HydrophobicContact CG2-CZ2 4.11Å; V280-W282 VanDerWaalsContact O-CD1 3.3Å; V280-W282 PolarHBondContact O-NE1 3.2Å; W282-F287 VanDerWaalsContact CE3-O 3.31Å; W282-P289 HydrophobicContact CE3-CB 4.2Å; W282-P289 HydrophobicContact CZ3-CB 3.94Å; W282-P289 HydrophobicContact CZ3-CG 4.3Å |
| 283 | H | 95.2 | Very high | 95.2 | Very high | 38 Ų | 38 | 33.2 Ų | 33.2 | 18% | 0.176 | 18% | 0.181 | C | C | . | . | trans | -62.9 | 131.5 | 167.1 | -173 | -77.3 | 0 | 0 | 0 | 109.6 | I285 T286 F287 E288 L290 | H283-I285 PolarHBondContact ND1-N 3.41Å; H283-I285 PolarHBondContact O-N 3.01Å; H283-I285 VanDerWaalsContact O-N 3.13Å; H283-T286 WeakPolarHBondContact CB-OG1 3.45Å; H283-T286 VanDerWaalsContact CG-OG1 3.3Å; H283-T286 PolarHBondContact ND1-N 2.81Å; H283-T286 VanDerWaalsContact ND1-N 3.15Å; H283-T286 PolarHBondContact ND1-OG1 3.42Å; H283-F287 WeakPolarHBondContact O-CA 3.28Å; H283-F287 WeakPolarHBondContact O-CD1 3.3Å; H283-F287 PolarHBondContact O-N 3.35Å; H283-E288 PolarHBondContact N-O 2.82Å; H283-L290 HydrophobicContact CB-CD1 4.21Å; H283-L290 HydrophobicContact CB-CD2 4.14Å; H283-L290 HydrophobicContact CB-CG 4.18Å | ||
| 284 | P | 92.2 | Very high | 95.4 | Very high | 30 Ų | 30 | 28.8 Ų | 28.8 | 20% | 0.195 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -16.3 | -168.7 | 25.9 | -35 | 0 | 0 | 0 | 115 | F287 F329 S330 M333 | P284-F287 WeakPolarHBondContact O-CE1 3.33Å; P284-F329 HydrophobicContact CG-CB 4.11Å; P284-S330 WeakPolarHBondContact CG-O 3.34Å; P284-M333 WeakPolarHBondContact CD-SD 3.31Å; P284-M333 HydrophobicContact CG-SD 3.58Å; P284-M333 VanDerWaalsContact CG-SD 3.58Å |
| 285 | I | 90.2 | Very high | 95.5 | Very high | 59 Ų | 59 | 24.7 Ų | 24.7 | 30% | 0.303 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | -58.1 | 179.9 | -59 | -61.6 | 0 | 0 | 0 | 113 | H283 F287 E331 | H283-I285 PolarHBondContact ND1-N 3.41Å; H283-I285 PolarHBondContact O-N 3.01Å; H283-I285 VanDerWaalsContact O-N 3.13Å; I285-F287 VanDerWaalsContact C-N 3.25Å; I285-F287 WeakPolarHBondContact O-CD2 3.31Å; I285-F287 VanDerWaalsContact O-CE2 3.31Å; I285-F287 WeakPolarHBondContact O-CE2 3.34Å; I285-F287 PolarHBondContact O-N 2.74Å; I285-E331 HydrophobicContact CD1-CB 3.98Å; I285-E331 HydrophobicContact CD1-CG 3.75Å; I285-E331 HydrophobicContact CG1-CB 4.11Å; I285-E331 HydrophobicContact CG1-CG 4.37Å |
| 286 | T | 90.9 | Very high | 95.5 | Very high | 50 Ų | 50 | 26.7 Ų | 26.7 | 31% | 0.307 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -23.4 | 179 | 66.1 | 0 | 0 | 0 | 0 | 113.2 | H283 E288 | H283-T286 WeakPolarHBondContact CB-OG1 3.45Å; H283-T286 VanDerWaalsContact CG-OG1 3.3Å; H283-T286 PolarHBondContact ND1-N 2.81Å; H283-T286 VanDerWaalsContact ND1-N 3.15Å; H283-T286 PolarHBondContact ND1-OG1 3.42Å; T286-E288 PolarHBondContact O-N 2.93Å; T286-E288 PolarHBondContact OG1-N 3.33Å; T286-E288 PolarHBondContact OG1-OE2 3.46Å |
| 287 | F | 92.2 | Very high | 95.5 | Very high | 22 Ų | 22 | 28.7 Ų | 28.7 | 10% | 0.096 | 15% | 0.151 | C | C | . | . | trans | 58.7 | 25.3 | -174.7 | -52.7 | -67.5 | 0 | 0 | 0 | 115 | H136 Y182 H235 N238 Y244 W282 H283 P284 I285 | H136-F287 AromaticContact CE1-CE2 3.77Å; H136-F287 AromaticContact ND1-CE2 3.82Å; H136-F287 AromaticContact ND1-CZ 3.87Å; Y182-F287 HydrophobicContact CD1-CE2 4.44Å; Y182-F287 HydrophobicContact CD1-CZ 4.39Å; Y182-F287 HydrophobicContact CD2-CD2 4.36Å; Y182-F287 AromaticContact CD2-CE2 3.84Å; Y182-F287 HydrophobicContact CD2-CE2 3.84Å; Y182-F287 HydrophobicContact CE1-CE1 4.45Å; Y182-F287 HydrophobicContact CE1-CE2 4.04Å; Y182-F287 AromaticContact CE1-CZ 3.79Å; Y182-F287 HydrophobicContact CE1-CZ 3.79Å; Y182-F287 AromaticContact CE2-CD2 3.64Å; Y182-F287 HydrophobicContact CE2-CD2 3.64Å; Y182-F287 AromaticContact CE2-CE2 3.38Å; Y182-F287 HydrophobicContact CE2-CE2 3.38Å; Y182-F287 HydrophobicContact CE2-CG 4.43Å; Y182-F287 AromaticContact CE2-CZ 3.97Å; Y182-F287 HydrophobicContact CE2-CZ 3.97Å; Y182-F287 HydrophobicContact CG-CE2 4.37Å; Y182-F287 AromaticContact CZ-CD2 3.99Å; Y182-F287 AromaticContact CZ-CE2 3.53Å; Y182-F287 AromaticContact CZ-CZ 3.6Å; H235-F287 WeakPolarHBondContact CE1-CB 3.49Å; H235-F287 AromaticContact CE1-CD1 3.11Å; H235-F287 WeakPolarHBondContact CE1-CD1 3.48Å; H235-F287 AromaticContact CE1-CD2 3.76Å; H235-F287 AromaticContact CE1-CE1 3.86Å; H235-F287 AromaticContact CE1-CG 3.05Å; H235-F287 WeakPolarHBondContact CE1-CG 3.48Å; H235-F287 VanDerWaalsContact ND1-CB 3.34Å; H235-F287 WeakPolarHBondContact ND1-CB 3.3Å; H235-F287 AromaticContact ND1-CG 3.81Å; H235-F287 AromaticContact NE2-CD1 3.38Å; H235-F287 WeakPolarHBondContact NE2-CD1 3.46Å; H235-F287 AromaticContact NE2-CE1 3.97Å; H235-F287 AromaticContact NE2-CG 3.82Å; N238-F287 HydrophobicContact CB-CD2 4.28Å; Y244-F287 WeakPolarHBondContact CE2-O 3.25Å; W282-F287 VanDerWaalsContact CE3-O 3.31Å; H283-F287 WeakPolarHBondContact O-CA 3.28Å; H283-F287 WeakPolarHBondContact O-CD1 3.3Å; H283-F287 PolarHBondContact O-N 3.35Å; P284-F287 WeakPolarHBondContact O-CE1 3.33Å; I285-F287 VanDerWaalsContact C-N 3.25Å; I285-F287 WeakPolarHBondContact O-CD2 3.31Å; I285-F287 VanDerWaalsContact O-CE2 3.31Å; I285-F287 WeakPolarHBondContact O-CE2 3.34Å; I285-F287 PolarHBondContact O-N 2.74Å | ||
| 288 | E | 94.7 | Very high | 95.4 | Very high | 90 Ų | 90 | 32.8 Ų | 32.8 | 42% | 0.421 | 17% | 0.169 | S | C | . | . | trans | -72.7 | 142.1 | 168.2 | -68.7 | 163.3 | 147.1 | 0 | 0 | 109.5 | H283 T286 L290 | H283-E288 PolarHBondContact N-O 2.82Å; T286-E288 PolarHBondContact O-N 2.93Å; T286-E288 PolarHBondContact OG1-N 3.33Å; T286-E288 PolarHBondContact OG1-OE2 3.46Å; E288-L290 PolarHBondContact O-N 3.01Å | ||
| 289 | P | 96.8 | Very high | 95.4 | Very high | 8 Ų | 8 | 31.2 Ų | 31.2 | 5% | 0.052 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 133.2 | 173.2 | 25.1 | -31.7 | 0 | 0 | 0 | 110.5 | Y244 I269 V280 W282 V304 | Y244-P289 HydrophobicContact CD1-CG 4.27Å; Y244-P289 HydrophobicContact CE1-CG 4.1Å; I269-P289 HydrophobicContact CG2-CG 3.83Å; V280-P289 HydrophobicContact CG1-CB 3.77Å; W282-P289 HydrophobicContact CE3-CB 4.2Å; W282-P289 HydrophobicContact CZ3-CB 3.94Å; W282-P289 HydrophobicContact CZ3-CG 4.3Å; P289-V304 HydrophobicContact CB-CG1 4.27Å; P289-V304 HydrophobicContact CG-CG1 4.01Å; P289-V304 WeakPolarHBondContact O-CG1 3.21Å |
| 290 | L | 97.3 | Very high | 95.4 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | -52.9 | -179 | -64.6 | 176.2 | 0 | 0 | 0 | 111.7 | S281 H283 E288 V304 H305 I308 F329 M333 | S281-L290 PolarHBondContact O-N 3.47Å; H283-L290 HydrophobicContact CB-CD1 4.21Å; H283-L290 HydrophobicContact CB-CD2 4.14Å; H283-L290 HydrophobicContact CB-CG 4.18Å; E288-L290 PolarHBondContact O-N 3.01Å; L290-V304 PolarHBondContact O-N 2.86Å; L290-H305 HydrophobicContact CD2-CB 4.02Å; L290-H305 PolarHBondContact O-N 2.89Å; L290-I308 HydrophobicContact CB-CD1 3.88Å; L290-I308 HydrophobicContact CB-CG1 4.41Å; L290-I308 HydrophobicContact CD1-CD1 4.27Å; L290-I308 HydrophobicContact CD1-CG2 4.38Å; L290-F329 HydrophobicContact CD1-CE2 4.29Å; L290-F329 HydrophobicContact CD1-CZ 4.33Å; L290-M333 HydrophobicContact CD1-CE 3.53Å |
| 291 | I | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 152.6 | 176.7 | 54.9 | 166.8 | 0 | 0 | 0 | 109.3 | V280 S281 V301 G302 F303 I308 Y312 | V280-I291 WeakPolarHBondContact CA-O 3.41Å; S281-I291 VanDerWaalsContact CB-CG1 3.45Å; S281-I291 PolarHBondContact N-O 3.29Å; I291-V301 HydrophobicContact CB-CG1 3.81Å; I291-V301 HydrophobicContact CD1-CG1 4.11Å; I291-V301 HydrophobicContact CG2-CG1 3.87Å; I291-G302 CarbonylContact C-O 3.57Å; I291-G302 VanDerWaalsContact CA-O 3.28Å; I291-G302 WeakPolarHBondContact CA-O 3.29Å; I291-F303 HydrophobicContact CG2-CD1 3.43Å; I291-F303 VanDerWaalsContact CG2-CD1 3.43Å; I291-F303 HydrophobicContact CG2-CE1 3.68Å; I291-F303 HydrophobicContact CG2-CG 4.15Å; I291-I308 HydrophobicContact CG1-CD1 4.45Å; I291-I308 HydrophobicContact CG2-CD1 3.9Å; I291-I308 HydrophobicContact CG2-CG1 4.46Å; I291-Y312 HydrophobicContact CD1-CD2 4.05Å; I291-Y312 HydrophobicContact CD1-CE2 3.54Å |
| 292 | V | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 151.4 | 170.2 | -61.7 | 0 | 0 | 0 | 0 | 109.2 | V256 Y270 V277 A279 V280 V301 G302 V304 | V256-V292 HydrophobicContact CG2-CG1 3.91Å; Y270-V292 HydrophobicContact CD1-CB 4.37Å; Y270-V292 HydrophobicContact CD1-CG2 3.56Å; Y270-V292 HydrophobicContact CD2-CG2 3.43Å; Y270-V292 VanDerWaalsContact CD2-CG2 3.43Å; Y270-V292 HydrophobicContact CE1-CG2 3.58Å; Y270-V292 HydrophobicContact CE2-CG2 3.46Å; Y270-V292 VanDerWaalsContact CE2-CG2 3.46Å; Y270-V292 HydrophobicContact CG-CB 4.37Å; Y270-V292 HydrophobicContact CG-CG1 4.23Å; Y270-V292 HydrophobicContact CG-CG2 3.46Å; Y270-V292 VanDerWaalsContact CG-CG2 3.46Å; V277-V292 HydrophobicContact CG1-CB 4.13Å; V277-V292 HydrophobicContact CG1-CG1 4.39Å; A279-V292 CarbonylContact O-C 3.56Å; A279-V292 WeakPolarHBondContact O-CA 3.38Å; V280-V292 HydrophobicContact CG1-CG1 4.3Å; V280-V292 HydrophobicContact CG2-CG1 4.16Å; V292-V301 WeakPolarHBondContact O-CA 3.36Å; V292-G302 WeakPolarHBondContact CG2-O 3.5Å; V292-G302 PolarHBondContact N-O 3.25Å; V292-G302 PolarHBondContact O-N 3.05Å; V292-V304 HydrophobicContact CG1-CG2 3.81Å |
| 293 | E | 96.1 | Very high | 95.1 | Very high | 14 Ų | 14 | 36.8 Ų | 36.8 | 7% | 0.065 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 123.2 | 175.1 | -60.6 | -178 | -168.2 | 0 | 0 | 109.1 | D278 A279 E300 V301 | D278-E293 PolarHBondContact N-O 2.94Å; A279-E293 HydrophobicContact CB-CB 4.18Å; A279-E293 HydrophobicContact CB-CG 4.42Å; A279-E293 PolarHBondContact N-O 3.14Å; A279-E293 PolarHBondContact O-N 2.85Å; E293-E300 CarbonylContact C-O 3.54Å; E293-E300 WeakPolarHBondContact CA-O 3.35Å; E293-V301 HydrophobicContact CG-CG2 4.07Å |
| 294 | E | 96.1 | Very high | 95.2 | Very high | 12 Ų | 12 | 37.2 Ų | 37.2 | 6% | 0.056 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 134.4 | 165.2 | -75.6 | -175.2 | -122.7 | 0 | 0 | 108.6 | Y270 P272 T273 M274 P299 E300 | Y270-E294 HydrophobicContact CE1-CG 4.08Å; Y270-E294 WeakPolarHBondContact CE1-OE1 3.39Å; Y270-E294 VanDerWaalsContact CZ-OE1 3.25Å; Y270-E294 PolarHBondContact OH-OE1 2.66Å; P272-E294 WeakPolarHBondContact CA-OE1 3.42Å; P272-E294 HydrophobicContact CB-CG 3.67Å; P272-E294 WeakPolarHBondContact CB-OE2 3.5Å; T273-E294 PolarHBondContact N-OE2 2.85Å; T273-E294 PolarHBondContact OG1-OE2 2.81Å; M274-E294 PolarHBondContact N-OE2 2.94Å; E294-P299 CarbonylContact O-C 3.54Å; E294-P299 WeakPolarHBondContact O-CA 3.48Å; E294-E300 PolarHBondContact N-O 3.32Å; E294-E300 PolarHBondContact O-N 2.93Å |
| 295 | N | 96.1 | Very high | 95.1 | Very high | 8 Ų | 8 | 39.9 Ų | 39.9 | 4% | 0.043 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 77.7 | -176.8 | -162.9 | -13.3 | 0 | 0 | 0 | 110.1 | S275 D278 R425 Y427 | S275-N295 PolarHBondContact OG-N 3.24Å; S275-N295 VanDerWaalsContact OG-N 3.07Å; D278-N295 HydrophobicContact CB-CB 3.74Å; D278-N295 WeakPolarHBondContact OD2-CB 3.49Å; D278-N295 PolarHBondContact OD2-ND2 2.85Å; N295-R425 PolarHBondContact O-NH1 3.3Å; N295-R425 VanDerWaalsContact O-NH1 3.13Å; N295-R425 PolarHBondContact O-NH2 2.93Å; N295-Y427 HydrophobicContact CB-CD1 4.46Å; N295-Y427 HydrophobicContact CB-CE1 4.34Å; N295-Y427 WeakPolarHBondContact ND2-CD1 3.38Å; N295-Y427 WeakPolarHBondContact ND2-CE1 3.34Å |
| 296 | Y | 97.7 | Very high | 95.3 | Very high | 42 Ų | 42 | 42 Ų | 42 | 17% | 0.165 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -82.2 | -78.6 | 175.7 | -174.5 | -115.4 | 0 | 0 | 0 | 111 | M274 E383 V393 Y455 | M274-Y296 HydrophobicContact CB-CD1 4.2Å; M274-Y296 HydrophobicContact CB-CD2 4.05Å; M274-Y296 HydrophobicContact CB-CG 3.76Å; M274-Y296 HydrophobicContact CE-CD1 3.87Å; M274-Y296 HydrophobicContact CE-CE1 3.6Å; M274-Y296 HydrophobicContact CE-CE2 4.43Å; M274-Y296 HydrophobicContact CE-CG 4.42Å; M274-Y296 WeakPolarHBondContact O-CD2 3.32Å; Y296-E383 WeakPolarHBondContact CE1-OE1 3.24Å; Y296-E383 PolarHBondContact OH-OE1 3.31Å; Y296-V393 HydrophobicContact CD2-CG2 4.26Å; Y296-V393 HydrophobicContact CE1-CG2 4.18Å; Y296-V393 HydrophobicContact CE2-CG2 3.62Å; Y296-Y455 AromaticContact CD2-CD1 3.58Å; Y296-Y455 HydrophobicContact CD2-CD1 3.58Å; Y296-Y455 AromaticContact CD2-CE1 3.5Å; Y296-Y455 HydrophobicContact CD2-CE1 3.5Å; Y296-Y455 AromaticContact CE2-CD1 3.65Å; Y296-Y455 HydrophobicContact CE2-CD1 3.65Å; Y296-Y455 AromaticContact CE2-CE1 3.73Å; Y296-Y455 HydrophobicContact CE2-CE1 3.73Å; Y296-Y455 HydrophobicContact CG-CE1 4.45Å; Y296-Y455 PolarHBondContact O-OH 2.99Å |
| 297 | L | 97.5 | Very high | 95.3 | Very high | 52 Ų | 52 | 42.8 Ų | 42.8 | 27% | 0.272 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -94.4 | -43.8 | 171.1 | -68.2 | -176.3 | 0 | 0 | 0 | 111.4 | P381 E383 V393 Y395 W428 | L297-P381 HydrophobicContact CB-CB 3.96Å; L297-P381 HydrophobicContact CB-CG 4.48Å; L297-P381 HydrophobicContact CD2-CB 4.2Å; L297-P381 HydrophobicContact CG-CB 4.47Å; L297-E383 HydrophobicContact CD2-CG 4.32Å; L297-V393 HydrophobicContact CD2-CB 4.4Å; L297-V393 HydrophobicContact CD2-CG1 3.61Å; L297-V393 HydrophobicContact CD2-CG2 4.07Å; L297-Y395 WeakPolarHBondContact O-CE1 3.35Å; L297-Y395 PolarHBondContact O-OH 2.89Å; L297-W428 VanDerWaalsContact O-CB 3.31Å; L297-W428 WeakPolarHBondContact O-CB 3.45Å |
| 298 | K | 96.1 | Very high | 95.5 | Very high | 88 Ų | 88 | 41.9 Ų | 41.9 | 38% | 0.383 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -136.4 | 158.9 | 173.4 | -66.2 | -166.1 | 178.2 | -163 | 0 | 108.9 | E300 P381 W428 | K298-E300 PolarHBondContact O-N 3.04Å; K298-P381 HydrophobicContact CG-CG 4.33Å; K298-W428 HydrophobicContact CD-CD2 3.89Å; K298-W428 HydrophobicContact CD-CE3 4.1Å; K298-W428 HydrophobicContact CD-CG 4.31Å; K298-W428 HydrophobicContact CD-CZ2 4.38Å; K298-W428 HydrophobicContact CD-CZ3 4.46Å; K298-W428 VanDerWaalsContact CE-CE2 3.41Å; K298-W428 HydrophobicContact CG-CB 4.16Å; K298-W428 HydrophobicContact CG-CD2 3.87Å; K298-W428 HydrophobicContact CG-CE3 4.14Å; K298-W428 HydrophobicContact CG-CG 3.86Å |
| 299 | P | 95.6 | Very high | 95.5 | Very high | 18 Ų | 18 | 42.3 Ų | 42.3 | 12% | 0.117 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 130.2 | 171.2 | -22.5 | 32.3 | 0 | 0 | 0 | 112.1 | E294 L323 Y341 | E294-P299 CarbonylContact O-C 3.54Å; E294-P299 WeakPolarHBondContact O-CA 3.48Å; P299-L323 HydrophobicContact CB-CD1 4.05Å; P299-L323 HydrophobicContact CG-CD1 3.85Å; P299-Y341 HydrophobicContact CG-CE2 4.47Å |
| 300 | E | 94.9 | Very high | 95.5 | Very high | 140 Ų | 140 | 48.5 Ų | 48.5 | 65% | 0.654 | 24% | 0.242 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 142.5 | 170 | -67.3 | -172.2 | -175.6 | 0 | 0 | 109.2 | E293 E294 K298 | E293-E300 CarbonylContact C-O 3.54Å; E293-E300 WeakPolarHBondContact CA-O 3.35Å; E294-E300 PolarHBondContact N-O 3.32Å; E294-E300 PolarHBondContact O-N 2.93Å; K298-E300 PolarHBondContact O-N 3.04Å |
| 301 | V | 94.7 | Very high | 95.5 | Very high | 47 Ų | 47 | 48.8 Ų | 48.8 | 29% | 0.285 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 126 | -172.5 | 176.9 | 0 | 0 | 0 | 0 | 111.5 | I291 V292 E293 Y312 | I291-V301 HydrophobicContact CB-CG1 3.81Å; I291-V301 HydrophobicContact CD1-CG1 4.11Å; I291-V301 HydrophobicContact CG2-CG1 3.87Å; V292-V301 WeakPolarHBondContact O-CA 3.36Å; E293-V301 HydrophobicContact CG-CG2 4.07Å; V301-Y312 HydrophobicContact CB-CE1 4.34Å; V301-Y312 HydrophobicContact CG1-CE1 4.26Å; V301-Y312 HydrophobicContact CG2-CE1 4.25Å; V301-Y312 WeakPolarHBondContact CG2-OH 3.25Å |
| 302 | G | 94.6 | Very high | 95.5 | Very high | 10 Ų | 10 | 49.4 Ų | 49.4 | 10% | 0.103 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 128.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | I291 V292 | I291-G302 CarbonylContact C-O 3.57Å; I291-G302 VanDerWaalsContact CA-O 3.28Å; I291-G302 WeakPolarHBondContact CA-O 3.29Å; V292-G302 WeakPolarHBondContact CG2-O 3.5Å; V292-G302 PolarHBondContact N-O 3.25Å; V292-G302 PolarHBondContact O-N 3.05Å |
| 303 | F | 95.7 | Very high | 95.5 | Very high | 42 Ų | 42 | 51.6 Ų | 51.6 | 18% | 0.184 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 124.6 | 172.9 | -69.6 | -86.1 | 0 | 0 | 0 | 110.4 | I291 R309 Y312 | I291-F303 HydrophobicContact CG2-CD1 3.43Å; I291-F303 VanDerWaalsContact CG2-CD1 3.43Å; I291-F303 HydrophobicContact CG2-CE1 3.68Å; I291-F303 HydrophobicContact CG2-CG 4.15Å; F303-R309 HydrophobicContact CD1-CB 3.93Å; F303-R309 HydrophobicContact CD1-CG 4.3Å; F303-R309 HydrophobicContact CD2-CG 4.34Å; F303-R309 VanDerWaalsContact CE1-CA 3.46Å; F303-R309 HydrophobicContact CE1-CB 3.8Å; F303-R309 HydrophobicContact CE1-CG 4.04Å; F303-R309 HydrophobicContact CE2-CG 4.03Å; F303-R309 HydrophobicContact CG-CB 4.45Å; F303-R309 HydrophobicContact CG-CG 4.46Å; F303-R309 HydrophobicContact CZ-CB 4.15Å; F303-R309 HydrophobicContact CZ-CG 3.87Å; F303-Y312 HydrophobicContact CE1-CD1 4.27Å; F303-Y312 HydrophobicContact CE1-CG 4Å; F303-Y312 AromaticContact CZ-CD1 3.63Å; F303-Y312 HydrophobicContact CZ-CD1 3.63Å; F303-Y312 HydrophobicContact CZ-CE1 4.46Å; F303-Y312 AromaticContact CZ-CG 3.82Å; F303-Y312 HydrophobicContact CZ-CG 3.82Å |
| 304 | V | 96 | Very high | 95.6 | Very high | 48 Ų | 48 | 54 Ų | 54 | 29% | 0.291 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -92 | -33.6 | 170.3 | 178.1 | 0 | 0 | 0 | 0 | 110.5 | I269 P289 L290 V292 | I269-V304 HydrophobicContact CG2-CB 4.4Å; I269-V304 HydrophobicContact CG2-CG1 3.35Å; I269-V304 HydrophobicContact CG2-CG2 4.11Å; P289-V304 HydrophobicContact CB-CG1 4.27Å; P289-V304 HydrophobicContact CG-CG1 4.01Å; P289-V304 WeakPolarHBondContact O-CG1 3.21Å; L290-V304 PolarHBondContact O-N 2.86Å; V292-V304 HydrophobicContact CG1-CG2 3.81Å |
| 305 | H | 91.5 | Very high | 95.7 | Very high | 85 Ų | 85 | 53.5 Ų | 53.5 | 39% | 0.394 | 27% | 0.265 | S | S | . | . | trans | -131.4 | 134.9 | 179.1 | -163.3 | -84.1 | 0 | 0 | 0 | 111.4 | L290 S307 | L290-H305 HydrophobicContact CD2-CB 4.02Å; L290-H305 PolarHBondContact O-N 2.89Å; H305-S307 VanDerWaalsContact C-N 3.34Å; H305-S307 VanDerWaalsContact CE1-CB 3.45Å; H305-S307 WeakPolarHBondContact CE1-CB 3.42Å; H305-S307 PolarHBondContact CE1-OG 3.22Å; H305-S307 WeakPolarHBondContact ND1-CB 3.21Å; H305-S307 PolarHBondContact ND1-N 3.38Å; H305-S307 VanDerWaalsContact ND1-N 3.15Å; H305-S307 PolarHBondContact ND1-OG 2.83Å; H305-S307 PolarHBondContact O-N 2.9Å | ||
| 306 | D | 92.4 | Very high | 95.8 | Very high | 105 Ų | 105 | 59.1 Ų | 59.1 | 56% | 0.561 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -77.3 | -15.2 | -173.7 | -74.5 | -31.1 | 0 | 0 | 0 | 114.2 | I308 R309 | D306-I308 PolarHBondContact O-N 2.83Å; D306-R309 WeakPolarHBondContact O-CB 3.21Å; D306-R309 PolarHBondContact O-N 2.94Å; D306-R309 IonicContact OD1-CZ 3.87Å; D306-R309 IonicContact OD1-NE 2.67Å; D306-R309 IonicContact OD1-NH1 3.66Å; D306-R309 PolarHBondContact OD1-NH1 3.12Å; D306-R309 IonicContact OD1-NH2 3.43Å |
| 307 | S | 92.8 | Very high | 95.8 | Very high | 65 Ų | 65 | 61.1 Ų | 61.1 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -57.2 | -22.1 | -172.9 | 59.3 | 0 | 0 | 0 | 0 | 115.6 | H305 | H305-S307 VanDerWaalsContact C-N 3.34Å; H305-S307 VanDerWaalsContact CE1-CB 3.45Å; H305-S307 WeakPolarHBondContact CE1-CB 3.42Å; H305-S307 PolarHBondContact CE1-OG 3.22Å; H305-S307 WeakPolarHBondContact ND1-CB 3.21Å; H305-S307 PolarHBondContact ND1-N 3.38Å; H305-S307 VanDerWaalsContact ND1-N 3.15Å; H305-S307 PolarHBondContact ND1-OG 2.83Å; H305-S307 PolarHBondContact O-N 2.9Å |
| 308 | I | 94.8 | Very high | 95.8 | Very high | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -111.7 | -2.5 | 179.3 | 65.7 | 160.6 | 0 | 0 | 0 | 113.3 | L290 I291 D306 E310 D311 Y312 F329 M333 W336 | L290-I308 HydrophobicContact CB-CD1 3.88Å; L290-I308 HydrophobicContact CB-CG1 4.41Å; L290-I308 HydrophobicContact CD1-CD1 4.27Å; L290-I308 HydrophobicContact CD1-CG2 4.38Å; I291-I308 HydrophobicContact CG1-CD1 4.45Å; I291-I308 HydrophobicContact CG2-CD1 3.9Å; I291-I308 HydrophobicContact CG2-CG1 4.46Å; D306-I308 PolarHBondContact O-N 2.83Å; I308-E310 PolarHBondContact O-N 3.24Å; I308-D311 PolarHBondContact O-N 2.85Å; I308-Y312 WeakPolarHBondContact O-CB 3.41Å; I308-Y312 PolarHBondContact O-N 3Å; I308-F329 HydrophobicContact CD1-CE1 4.44Å; I308-F329 HydrophobicContact CD1-CZ 4.13Å; I308-M333 HydrophobicContact CG2-CE 3.68Å; I308-W336 HydrophobicContact CB-CH2 3.82Å; I308-W336 HydrophobicContact CB-CZ2 4.12Å; I308-W336 HydrophobicContact CG2-CH2 4.15Å; I308-W336 HydrophobicContact CG2-CZ2 3.94Å |
| 309 | R | 96.3 | Very high | 95.9 | Very high | 99 Ų | 99 | 60.3 Ų | 60.3 | 37% | 0.374 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.4 | -50.1 | -171 | 177.9 | 177.4 | -86.5 | 153.6 | -3.1 | 112.6 | F303 D306 D311 Y312 D313 | F303-R309 HydrophobicContact CD1-CB 3.93Å; F303-R309 HydrophobicContact CD1-CG 4.3Å; F303-R309 HydrophobicContact CD2-CG 4.34Å; F303-R309 VanDerWaalsContact CE1-CA 3.46Å; F303-R309 HydrophobicContact CE1-CB 3.8Å; F303-R309 HydrophobicContact CE1-CG 4.04Å; F303-R309 HydrophobicContact CE2-CG 4.03Å; F303-R309 HydrophobicContact CG-CB 4.45Å; F303-R309 HydrophobicContact CG-CG 4.46Å; F303-R309 HydrophobicContact CZ-CB 4.15Å; F303-R309 HydrophobicContact CZ-CG 3.87Å; D306-R309 WeakPolarHBondContact O-CB 3.21Å; D306-R309 PolarHBondContact O-N 2.94Å; D306-R309 IonicContact OD1-CZ 3.87Å; D306-R309 IonicContact OD1-NE 2.67Å; D306-R309 IonicContact OD1-NH1 3.66Å; D306-R309 PolarHBondContact OD1-NH1 3.12Å; D306-R309 IonicContact OD1-NH2 3.43Å; R309-D311 VanDerWaalsContact C-N 3.28Å; R309-D311 PolarHBondContact O-N 2.85Å; R309-Y312 PolarHBondContact O-N 3.16Å; R309-D313 WeakPolarHBondContact CG-OD2 3.49Å; R309-D313 WeakPolarHBondContact O-CB 3.19Å; R309-D313 PolarHBondContact O-N 2.88Å |
| 310 | E | 96.1 | Very high | 95.9 | Very high | 138 Ų | 138 | 65.7 Ų | 65.7 | 65% | 0.645 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -62 | -36.8 | -178.3 | -60.4 | -174.7 | -178.6 | 0 | 0 | 113.1 | I308 F314 R359 | I308-E310 PolarHBondContact O-N 3.24Å; E310-F314 WeakPolarHBondContact O-CB 3.48Å; E310-F314 PolarHBondContact O-N 2.88Å; E310-R359 VanDerWaalsContact CB-NH2 3.34Å; E310-R359 IonicContact OE2-NH2 2.74Å; E310-R359 PolarHBondContact OE2-NH2 3.03Å |
| 311 | D | 96.9 | Very high | 95.8 | Very high | 8 Ų | 8 | 65 Ų | 65 | 4% | 0.043 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -74.6 | -38 | 179.1 | -67.2 | -43.1 | 0 | 0 | 0 | 111 | I308 R309 L315 W336 Y352 K354 R359 | I308-D311 PolarHBondContact O-N 2.85Å; R309-D311 VanDerWaalsContact C-N 3.28Å; R309-D311 PolarHBondContact O-N 2.85Å; D311-L315 WeakPolarHBondContact O-CG 3.43Å; D311-L315 PolarHBondContact O-N 2.84Å; D311-W336 HydrophobicContact CB-CH2 3.31Å; D311-W336 HydrophobicContact CB-CZ2 3.87Å; D311-W336 HydrophobicContact CB-CZ3 3.95Å; D311-Y352 HydrophobicContact CB-CE1 4.32Å; D311-Y352 PolarHBondContact OD1-OH 3.47Å; D311-K354 IonicContact OD2-NZ 3.62Å; D311-K354 PolarHBondContact OD2-NZ 3.46Å; D311-R359 IonicContact OD1-CZ 3.44Å; D311-R359 IonicContact OD1-NE 2.77Å; D311-R359 PolarHBondContact OD1-NE 3.24Å; D311-R359 IonicContact OD1-NH2 3.61Å; D311-R359 PolarHBondContact OD1-NH2 2.9Å |
| 312 | Y | 97.3 | Very high | 95.9 | Very high | 12 Ų | 12 | 64.8 Ų | 64.8 | 5% | 0.047 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.4 | -45.8 | 173.9 | -166.8 | -80 | 0 | 0 | 0 | 111.5 | I291 V301 F303 I308 R309 F314 L315 R316 F324 | I291-Y312 HydrophobicContact CD1-CD2 4.05Å; I291-Y312 HydrophobicContact CD1-CE2 3.54Å; V301-Y312 HydrophobicContact CB-CE1 4.34Å; V301-Y312 HydrophobicContact CG1-CE1 4.26Å; V301-Y312 HydrophobicContact CG2-CE1 4.25Å; V301-Y312 WeakPolarHBondContact CG2-OH 3.25Å; F303-Y312 HydrophobicContact CE1-CD1 4.27Å; F303-Y312 HydrophobicContact CE1-CG 4Å; F303-Y312 AromaticContact CZ-CD1 3.63Å; F303-Y312 HydrophobicContact CZ-CD1 3.63Å; F303-Y312 HydrophobicContact CZ-CE1 4.46Å; F303-Y312 AromaticContact CZ-CG 3.82Å; F303-Y312 HydrophobicContact CZ-CG 3.82Å; I308-Y312 WeakPolarHBondContact O-CB 3.41Å; I308-Y312 PolarHBondContact O-N 3Å; R309-Y312 PolarHBondContact O-N 3.16Å; Y312-F314 VanDerWaalsContact C-N 3.35Å; Y312-F314 PolarHBondContact O-N 3.09Å; Y312-L315 PolarHBondContact O-N 2.87Å; Y312-R316 WeakPolarHBondContact O-CB 3.31Å; Y312-R316 PolarHBondContact O-N 2.72Å; Y312-F324 HydrophobicContact CD1-CE1 4.44Å; Y312-F324 AromaticContact CD1-CZ 3.92Å; Y312-F324 HydrophobicContact CD1-CZ 3.92Å; Y312-F324 AromaticContact CD2-CE2 3.92Å; Y312-F324 HydrophobicContact CD2-CE2 3.92Å; Y312-F324 AromaticContact CD2-CZ 3.63Å; Y312-F324 HydrophobicContact CD2-CZ 3.63Å; Y312-F324 HydrophobicContact CE1-CE1 4.04Å; Y312-F324 AromaticContact CE1-CZ 3.75Å; Y312-F324 HydrophobicContact CE1-CZ 3.75Å; Y312-F324 HydrophobicContact CE2-CE1 4.37Å; Y312-F324 AromaticContact CE2-CE2 3.59Å; Y312-F324 HydrophobicContact CE2-CE2 3.59Å; Y312-F324 AromaticContact CE2-CZ 3.43Å; Y312-F324 HydrophobicContact CE2-CZ 3.43Å; Y312-F324 VanDerWaalsContact CE2-CZ 3.43Å; Y312-F324 AromaticContact CG-CZ 3.86Å; Y312-F324 HydrophobicContact CG-CZ 3.86Å; Y312-F324 AromaticContact CZ-CE1 3.98Å; Y312-F324 AromaticContact CZ-CE2 3.99Å; Y312-F324 AromaticContact CZ-CZ 3.48Å; Y312-F324 VanDerWaalsContact CZ-CZ 3.48Å |
| 313 | D | 97 | Very high | 96 | Very high | 46 Ų | 46 | 66.6 Ų | 66.6 | 25% | 0.246 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 177.4 | -76.6 | -29.8 | 0 | 0 | 0 | 111.7 | R309 L315 R316 S317 | R309-D313 WeakPolarHBondContact CG-OD2 3.49Å; R309-D313 WeakPolarHBondContact O-CB 3.19Å; R309-D313 PolarHBondContact O-N 2.88Å; D313-L315 PolarHBondContact O-N 3Å; D313-R316 PolarHBondContact O-N 2.95Å; D313-R316 IonicContact OD1-CZ 3.37Å; D313-R316 IonicContact OD1-NE 3.7Å; D313-R316 IonicContact OD1-NH2 3.99Å; D313-R316 PolarHBondContact OD1-NH2 3.17Å; D313-S317 PolarHBondContact O-N 2.94Å; D313-S317 PolarHBondContact O-OG 3.44Å |
| 314 | F | 98 | Very high | 96.1 | Very high | 66 Ų | 66 | 65 Ų | 65 | 29% | 0.289 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57.1 | -47.5 | 172 | 167.1 | -96.6 | 0 | 0 | 0 | 111.9 | E310 Y312 F318 Y352 R359 V361 | E310-F314 WeakPolarHBondContact O-CB 3.48Å; E310-F314 PolarHBondContact O-N 2.88Å; Y312-F314 VanDerWaalsContact C-N 3.35Å; Y312-F314 PolarHBondContact O-N 3.09Å; F314-F318 VanDerWaalsContact O-CB 3.31Å; F314-F318 WeakPolarHBondContact O-CB 3.28Å; F314-F318 PolarHBondContact O-N 2.84Å; F314-Y352 HydrophobicContact CD1-CD2 4.41Å; F314-Y352 AromaticContact CD1-CE2 3.99Å; F314-Y352 HydrophobicContact CD1-CE2 3.99Å; F314-Y352 HydrophobicContact CE1-CD2 4.27Å; F314-Y352 HydrophobicContact CE1-CE2 4.09Å; F314-R359 HydrophobicContact CD1-CB 4.22Å; F314-R359 HydrophobicContact CE1-CB 3.87Å; F314-R359 HydrophobicContact CE2-CB 4.42Å; F314-R359 HydrophobicContact CZ-CB 3.98Å; F314-V361 HydrophobicContact CE1-CG2 3.76Å; F314-V361 HydrophobicContact CZ-CG2 4.31Å |
| 315 | L | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.8 | -38.4 | 178.8 | -71.7 | 177.3 | 0 | 0 | 0 | 112.3 | D311 Y312 D313 F318 F319 F324 W336 V338 Y352 V361 | D311-L315 WeakPolarHBondContact O-CG 3.43Å; D311-L315 PolarHBondContact O-N 2.84Å; Y312-L315 PolarHBondContact O-N 2.87Å; D313-L315 PolarHBondContact O-N 3Å; L315-F318 WeakPolarHBondContact O-CB 3.21Å; L315-F318 PolarHBondContact O-N 2.76Å; L315-F318 VanDerWaalsContact O-N 3.17Å; L315-F319 HydrophobicContact CB-CD2 4.22Å; L315-F319 HydrophobicContact CB-CE2 4.11Å; L315-F319 HydrophobicContact CD2-CE2 3.79Å; L315-F319 HydrophobicContact CD2-CZ 4.31Å; L315-F319 HydrophobicContact CG-CE2 4.44Å; L315-F319 WeakPolarHBondContact O-CD2 3.22Å; L315-F319 PolarHBondContact O-N 2.93Å; L315-F324 HydrophobicContact CB-CD1 4.43Å; L315-F324 HydrophobicContact CB-CE1 3.79Å; L315-F324 HydrophobicContact CB-CE2 4Å; L315-F324 HydrophobicContact CB-CZ 3.52Å; L315-F324 HydrophobicContact CD1-CE2 4Å; L315-F324 HydrophobicContact CD1-CZ 4.28Å; L315-W336 HydrophobicContact CD1-CE3 3.71Å; L315-W336 HydrophobicContact CD1-CZ3 3.85Å; L315-V338 HydrophobicContact CD1-CG2 3.97Å; L315-Y352 HydrophobicContact CD1-CD1 4.46Å; L315-Y352 HydrophobicContact CD1-CD2 4.17Å; L315-Y352 HydrophobicContact CD1-CG 3.98Å; L315-Y352 HydrophobicContact CD2-CD2 3.61Å; L315-Y352 HydrophobicContact CD2-CE2 4.42Å; L315-Y352 HydrophobicContact CD2-CG 4.05Å; L315-Y352 HydrophobicContact CG-CD2 4.04Å; L315-Y352 HydrophobicContact CG-CG 4.35Å; L315-V361 HydrophobicContact CD2-CG2 3.76Å |
| 316 | R | 97.5 | Very high | 96.3 | Very high | 127 Ų | 127 | 60.6 Ų | 60.6 | 48% | 0.479 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.7 | -53.7 | 176.2 | -178.7 | 169.2 | 58 | 162 | -2.5 | 110.6 | Y312 D313 F318 F319 E320 F324 | Y312-R316 WeakPolarHBondContact O-CB 3.31Å; Y312-R316 PolarHBondContact O-N 2.72Å; D313-R316 PolarHBondContact O-N 2.95Å; D313-R316 IonicContact OD1-CZ 3.37Å; D313-R316 IonicContact OD1-NE 3.7Å; D313-R316 IonicContact OD1-NH2 3.99Å; D313-R316 PolarHBondContact OD1-NH2 3.17Å; R316-F318 PolarHBondContact O-N 2.82Å; R316-F319 PolarHBondContact O-N 2.87Å; R316-E320 PolarHBondContact O-N 2.94Å; R316-E320 VanDerWaalsContact O-N 3.17Å; R316-F324 HydrophobicContact CB-CE1 3.95Å |
| 317 | S | 97.7 | Very high | 96.5 | Very high | 83 Ų | 83 | 58.8 Ų | 58.8 | 58% | 0.58 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64.4 | -29 | 176.9 | -60.9 | 0 | 0 | 0 | 0 | 113.2 | D313 | D313-S317 PolarHBondContact O-N 2.94Å; D313-S317 PolarHBondContact O-OG 3.44Å |
| 318 | F | 97.9 | Very high | 96.6 | Very high | 109 Ų | 109 | 60.1 Ų | 60.1 | 48% | 0.478 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -71.5 | -35.4 | 177.4 | -175.4 | -88.3 | 0 | 0 | 0 | 112.8 | F314 L315 R316 V361 | F314-F318 VanDerWaalsContact O-CB 3.31Å; F314-F318 WeakPolarHBondContact O-CB 3.28Å; F314-F318 PolarHBondContact O-N 2.84Å; L315-F318 WeakPolarHBondContact O-CB 3.21Å; L315-F318 PolarHBondContact O-N 2.76Å; L315-F318 VanDerWaalsContact O-N 3.17Å; R316-F318 PolarHBondContact O-N 2.82Å; F318-V361 HydrophobicContact CD1-CG1 4.26Å; F318-V361 HydrophobicContact CD1-CG2 4.4Å; F318-V361 HydrophobicContact CE1-CB 4.07Å; F318-V361 HydrophobicContact CE1-CG1 3.74Å; F318-V361 HydrophobicContact CE1-CG2 4.4Å; F318-V361 HydrophobicContact CZ-CB 4.05Å; F318-V361 HydrophobicContact CZ-CG1 4.17Å; F318-V361 HydrophobicContact CZ-CG2 4.5Å |
| 319 | F | 97.8 | Very high | 96.8 | Very high | 15 Ų | 15 | 60.5 Ų | 60.5 | 7% | 0.066 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -96.8 | -9.4 | -174.4 | -66.2 | -53.7 | 0 | 0 | 0 | 115.1 | L315 R316 D322 F324 V338 T340 Y350 V361 | L315-F319 HydrophobicContact CB-CD2 4.22Å; L315-F319 HydrophobicContact CB-CE2 4.11Å; L315-F319 HydrophobicContact CD2-CE2 3.79Å; L315-F319 HydrophobicContact CD2-CZ 4.31Å; L315-F319 HydrophobicContact CG-CE2 4.44Å; L315-F319 WeakPolarHBondContact O-CD2 3.22Å; L315-F319 PolarHBondContact O-N 2.93Å; R316-F319 PolarHBondContact O-N 2.87Å; F319-D322 WeakPolarHBondContact O-CB 3.39Å; F319-D322 PolarHBondContact O-N 2.55Å; F319-F324 HydrophobicContact CD2-CB 3.88Å; F319-F324 AromaticContact CD2-CD1 3.79Å; F319-F324 HydrophobicContact CD2-CD1 3.79Å; F319-F324 AromaticContact CD2-CG 3.84Å; F319-F324 HydrophobicContact CD2-CG 3.84Å; F319-F324 HydrophobicContact CE2-CB 4.31Å; F319-F324 HydrophobicContact CE2-CG 4.26Å; F319-V338 HydrophobicContact CE2-CG1 3.69Å; F319-V338 HydrophobicContact CZ-CG1 4.16Å; F319-T340 HydrophobicContact CB-CG2 4.09Å; F319-T340 HydrophobicContact CD1-CG2 3.3Å; F319-T340 HydrophobicContact CD2-CG2 3.88Å; F319-T340 HydrophobicContact CE1-CG2 3.54Å; F319-T340 HydrophobicContact CE2-CG2 4.08Å; F319-T340 HydrophobicContact CG-CG2 3.49Å; F319-T340 VanDerWaalsContact CG-CG2 3.49Å; F319-T340 HydrophobicContact CZ-CG2 3.93Å; F319-Y350 HydrophobicContact CD1-CE2 4.49Å; F319-Y350 AromaticContact CE1-CD1 3.92Å; F319-Y350 HydrophobicContact CE1-CD1 3.92Å; F319-Y350 AromaticContact CE1-CD2 3.71Å; F319-Y350 HydrophobicContact CE1-CD2 3.71Å; F319-Y350 HydrophobicContact CE1-CE1 4.03Å; F319-Y350 AromaticContact CE1-CE2 3.82Å; F319-Y350 HydrophobicContact CE1-CE2 3.82Å; F319-Y350 AromaticContact CE1-CG 3.77Å; F319-Y350 HydrophobicContact CE1-CG 3.77Å; F319-Y350 AromaticContact CE1-CZ 3.99Å; F319-Y350 HydrophobicContact CZ-CD1 4.3Å; F319-Y350 AromaticContact CZ-CD2 3.93Å; F319-Y350 HydrophobicContact CZ-CD2 3.93Å; F319-Y350 HydrophobicContact CZ-CE2 4.48Å; F319-Y350 AromaticContact CZ-CG 3.83Å; F319-Y350 HydrophobicContact CZ-CG 3.83Å; F319-V361 HydrophobicContact CE1-CG1 4.31Å; F319-V361 HydrophobicContact CZ-CG1 3.98Å |
| 320 | E | 95.2 | Very high | 96.8 | Very high | 131 Ų | 131 | 55.8 Ų | 55.8 | 61% | 0.612 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.6 | 134.5 | 175.5 | -86.1 | 175.2 | -155 | 0 | 0 | 112 | R316 | R316-E320 PolarHBondContact O-N 2.94Å; R316-E320 VanDerWaalsContact O-N 3.17Å |
| 321 | P | 93.5 | Very high | 96.7 | Very high | 124 Ų | 124 | 52.8 Ų | 52.8 | 81% | 0.805 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -89.7 | 2.2 | 8.7 | 37.4 | -37.5 | 0 | 0 | 0 | 115.4 | ||
| 322 | D | 95.8 | Very high | 96.6 | Very high | 43 Ų | 43 | 56 Ų | 56 | 23% | 0.23 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -72 | 154.3 | 176.5 | -75.4 | -25.4 | 0 | 0 | 0 | 111.1 | F319 S342 N345 | F319-D322 WeakPolarHBondContact O-CB 3.39Å; F319-D322 PolarHBondContact O-N 2.55Å; D322-S342 WeakPolarHBondContact OD1-CB 3.39Å; D322-S342 PolarHBondContact OD1-OG 3.5Å; D322-N345 PolarHBondContact OD2-ND2 2.87Å |
| 323 | L | 97 | Very high | 96.5 | Very high | 49 Ų | 49 | 56.4 Ų | 56.4 | 26% | 0.257 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 165.7 | 166.1 | -58 | -173.9 | 0 | 0 | 0 | 109.7 | P299 T340 Y341 W428 | P299-L323 HydrophobicContact CB-CD1 4.05Å; P299-L323 HydrophobicContact CG-CD1 3.85Å; L323-T340 CarbonylContact O-C 3.49Å; L323-T340 WeakPolarHBondContact O-CA 3.38Å; L323-T340 WeakPolarHBondContact O-CB 3.43Å; L323-Y341 HydrophobicContact CB-CE1 4.16Å; L323-Y341 HydrophobicContact CB-CE2 4.22Å; L323-Y341 HydrophobicContact CD1-CE2 4.38Å; L323-Y341 PolarHBondContact N-O 2.85Å; L323-Y341 PolarHBondContact O-N 3.12Å; L323-W428 HydrophobicContact CD1-CE3 3.99Å; L323-W428 HydrophobicContact CD1-CH2 4.48Å; L323-W428 HydrophobicContact CD1-CZ3 3.48Å; L323-W428 VanDerWaalsContact CD1-CZ3 3.48Å; L323-W428 HydrophobicContact CG-CH2 4.42Å; L323-W428 HydrophobicContact CG-CZ3 3.79Å |
| 324 | F | 97.4 | Very high | 96.5 | Very high | 7 Ų | 7 | 56.9 Ų | 56.9 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 156.1 | 171.1 | 78 | -85.1 | 0 | 0 | 0 | 111.3 | Y312 L315 R316 F319 V326 V338 M339 T340 | Y312-F324 HydrophobicContact CD1-CE1 4.44Å; Y312-F324 AromaticContact CD1-CZ 3.92Å; Y312-F324 HydrophobicContact CD1-CZ 3.92Å; Y312-F324 AromaticContact CD2-CE2 3.92Å; Y312-F324 HydrophobicContact CD2-CE2 3.92Å; Y312-F324 AromaticContact CD2-CZ 3.63Å; Y312-F324 HydrophobicContact CD2-CZ 3.63Å; Y312-F324 HydrophobicContact CE1-CE1 4.04Å; Y312-F324 AromaticContact CE1-CZ 3.75Å; Y312-F324 HydrophobicContact CE1-CZ 3.75Å; Y312-F324 HydrophobicContact CE2-CE1 4.37Å; Y312-F324 AromaticContact CE2-CE2 3.59Å; Y312-F324 HydrophobicContact CE2-CE2 3.59Å; Y312-F324 AromaticContact CE2-CZ 3.43Å; Y312-F324 HydrophobicContact CE2-CZ 3.43Å; Y312-F324 VanDerWaalsContact CE2-CZ 3.43Å; Y312-F324 AromaticContact CG-CZ 3.86Å; Y312-F324 HydrophobicContact CG-CZ 3.86Å; Y312-F324 AromaticContact CZ-CE1 3.98Å; Y312-F324 AromaticContact CZ-CE2 3.99Å; Y312-F324 AromaticContact CZ-CZ 3.48Å; Y312-F324 VanDerWaalsContact CZ-CZ 3.48Å; L315-F324 HydrophobicContact CB-CD1 4.43Å; L315-F324 HydrophobicContact CB-CE1 3.79Å; L315-F324 HydrophobicContact CB-CE2 4Å; L315-F324 HydrophobicContact CB-CZ 3.52Å; L315-F324 HydrophobicContact CD1-CE2 4Å; L315-F324 HydrophobicContact CD1-CZ 4.28Å; R316-F324 HydrophobicContact CB-CE1 3.95Å; F319-F324 HydrophobicContact CD2-CB 3.88Å; F319-F324 AromaticContact CD2-CD1 3.79Å; F319-F324 HydrophobicContact CD2-CD1 3.79Å; F319-F324 AromaticContact CD2-CG 3.84Å; F319-F324 HydrophobicContact CD2-CG 3.84Å; F319-F324 HydrophobicContact CE2-CB 4.31Å; F319-F324 HydrophobicContact CE2-CG 4.26Å; F324-V326 HydrophobicContact CD2-CG2 4.45Å; F324-V326 HydrophobicContact CE2-CG2 3.97Å; F324-V338 HydrophobicContact CB-CG1 3.76Å; F324-V338 HydrophobicContact CD2-CG1 3.5Å; F324-V338 VanDerWaalsContact CD2-CG1 3.5Å; F324-V338 HydrophobicContact CE2-CG1 4.43Å; F324-V338 HydrophobicContact CG-CG1 3.93Å; F324-M339 CarbonylContact C-O 3.55Å; F324-M339 VanDerWaalsContact CA-O 3.25Å; F324-M339 WeakPolarHBondContact CA-O 3.24Å; F324-T340 HydrophobicContact CB-CG2 4.17Å |
| 325 | T | 96.1 | Very high | 96.5 | Very high | 31 Ų | 31 | 55.2 Ų | 55.2 | 19% | 0.19 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 147.5 | 167.6 | -172.5 | 0 | 0 | 0 | 0 | 109.8 | V327 M339 Y341 | T325-V327 HydrophobicContact CG2-CG2 4.32Å; T325-V327 PolarHBondContact O-N 3.4Å; T325-M339 HydrophobicContact CG2-CB 4.36Å; T325-M339 HydrophobicContact CG2-CE 4.09Å; T325-M339 PolarHBondContact N-O 3.04Å; T325-M339 PolarHBondContact O-N 3.06Å; T325-Y341 HydrophobicContact CG2-CE1 4.3Å |
| 326 | V | 97 | Very high | 96.5 | Very high | 10 Ų | 10 | 55.2 Ų | 55.2 | 6% | 0.061 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 104.3 | 173.4 | -174.3 | 0 | 0 | 0 | 0 | 108.7 | F324 F329 W336 | F324-V326 HydrophobicContact CD2-CG2 4.45Å; F324-V326 HydrophobicContact CE2-CG2 3.97Å; V326-F329 HydrophobicContact CB-CE1 4.3Å; V326-F329 HydrophobicContact CB-CE2 3.96Å; V326-F329 HydrophobicContact CB-CZ 3.69Å; V326-F329 HydrophobicContact CG1-CD1 4.01Å; V326-F329 HydrophobicContact CG1-CD2 3.96Å; V326-F329 HydrophobicContact CG1-CE1 3.65Å; V326-F329 HydrophobicContact CG1-CE2 3.58Å; V326-F329 HydrophobicContact CG1-CG 4.15Å; V326-F329 HydrophobicContact CG1-CZ 3.42Å; V326-F329 VanDerWaalsContact CG1-CZ 3.42Å; V326-F329 HydrophobicContact CG2-CE1 4.32Å; V326-F329 HydrophobicContact CG2-CZ 3.93Å; V326-W336 HydrophobicContact CG1-CB 4Å; V326-W336 HydrophobicContact CG1-CE3 4.5Å; V326-W336 HydrophobicContact CG1-CG 4.41Å; V326-W336 HydrophobicContact CG2-CE3 4Å; V326-W336 HydrophobicContact CG2-CZ3 4.37Å |
| 327 | V | 96.1 | Very high | 96.5 | Very high | 68 Ų | 68 | 49.2 Ų | 49.2 | 41% | 0.412 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | -37.6 | -178.3 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | T325 L337 M339 Y349 | T325-V327 HydrophobicContact CG2-CG2 4.32Å; T325-V327 PolarHBondContact O-N 3.4Å; V327-L337 HydrophobicContact CB-CB 4.4Å; V327-L337 HydrophobicContact CB-CD2 4.12Å; V327-L337 HydrophobicContact CB-CG 4.19Å; V327-L337 HydrophobicContact CG1-CD2 3.93Å; V327-L337 PolarHBondContact N-O 3.02Å; V327-M339 HydrophobicContact CG2-CB 3.62Å; V327-Y349 HydrophobicContact CG2-CE1 4Å |
| 328 | R | 96 | Very high | 96.5 | Very high | 93 Ų | 93 | 45.2 Ų | 45.2 | 35% | 0.351 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 138.2 | 176.1 | -172.4 | 156.1 | -173.4 | 145.9 | 2.1 | 112.6 | V37 V41 W336 L337 | V37-R328 HydrophobicContact CG1-CB 3.93Å; V37-R328 HydrophobicContact CG1-CG 4.25Å; V41-R328 HydrophobicContact CG2-CB 4.46Å; V41-R328 HydrophobicContact CG2-CG 4.16Å; R328-W336 CarbonylContact O-C 3.57Å; R328-W336 WeakPolarHBondContact O-CA 3.5Å; R328-L337 HydrophobicContact CB-CB 4.47Å; R328-L337 PolarHBondContact N-O 2.97Å; R328-L337 PolarHBondContact O-N 3.19Å |
| 329 | F | 97.2 | Very high | 96.5 | Very high | 11 Ų | 11 | 41.9 Ų | 41.9 | 5% | 0.048 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 141.7 | 165 | -58.1 | -88.8 | 0 | 0 | 0 | 110.6 | P284 L290 I308 V326 M333 W336 | P284-F329 HydrophobicContact CG-CB 4.11Å; L290-F329 HydrophobicContact CD1-CE2 4.29Å; L290-F329 HydrophobicContact CD1-CZ 4.33Å; I308-F329 HydrophobicContact CD1-CE1 4.44Å; I308-F329 HydrophobicContact CD1-CZ 4.13Å; V326-F329 HydrophobicContact CB-CE1 4.3Å; V326-F329 HydrophobicContact CB-CE2 3.96Å; V326-F329 HydrophobicContact CB-CZ 3.69Å; V326-F329 HydrophobicContact CG1-CD1 4.01Å; V326-F329 HydrophobicContact CG1-CD2 3.96Å; V326-F329 HydrophobicContact CG1-CE1 3.65Å; V326-F329 HydrophobicContact CG1-CE2 3.58Å; V326-F329 HydrophobicContact CG1-CG 4.15Å; V326-F329 HydrophobicContact CG1-CZ 3.42Å; V326-F329 VanDerWaalsContact CG1-CZ 3.42Å; V326-F329 HydrophobicContact CG2-CE1 4.32Å; V326-F329 HydrophobicContact CG2-CZ 3.93Å; F329-M333 HydrophobicContact CB-CE 4.21Å; F329-M333 HydrophobicContact CB-SD 3.52Å; F329-M333 VanDerWaalsContact CB-SD 3.52Å; F329-M333 HydrophobicContact CD1-CE 3.41Å; F329-M333 VanDerWaalsContact CD1-CE 3.41Å; F329-M333 HydrophobicContact CD1-SD 3.86Å; F329-M333 HydrophobicContact CD2-CE 4.48Å; F329-M333 HydrophobicContact CE1-CE 3.83Å; F329-M333 HydrophobicContact CG-CE 3.79Å; F329-M333 HydrophobicContact CG-SD 3.8Å; F329-W336 AromaticContact CD1-CD1 3.45Å; F329-W336 VanDerWaalsContact CD1-CD1 3.45Å; F329-W336 AromaticContact CD1-CD2 3.8Å; F329-W336 HydrophobicContact CD1-CD2 3.8Å; F329-W336 AromaticContact CD1-CE2 3.64Å; F329-W336 AromaticContact CD1-CG 3.74Å; F329-W336 HydrophobicContact CD1-CG 3.74Å; F329-W336 HydrophobicContact CD1-CZ2 4.27Å; F329-W336 AromaticContact CD1-NE1 3.49Å; F329-W336 AromaticContact CE1-CD2 3.62Å; F329-W336 HydrophobicContact CE1-CD2 3.62Å; F329-W336 AromaticContact CE1-CE2 3.57Å; F329-W336 AromaticContact CE1-CE3 3.97Å; F329-W336 HydrophobicContact CE1-CE3 3.97Å; F329-W336 HydrophobicContact CE1-CG 4.03Å; F329-W336 HydrophobicContact CE1-CH2 4.15Å; F329-W336 AromaticContact CE1-CZ2 3.87Å; F329-W336 HydrophobicContact CE1-CZ2 3.87Å; F329-W336 HydrophobicContact CE1-CZ3 4.21Å; F329-W336 AromaticContact CE1-NE1 3.94Å |
| 330 | S | 96.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -66.8 | 155.2 | 162.2 | 62.1 | 0 | 0 | 0 | 0 | 110.2 | A39 Q40 P284 N332 M333 L334 R335 | A39-S330 WeakPolarHBondContact O-CA 3.31Å; Q40-S330 WeakPolarHBondContact O-CB 3.21Å; P284-S330 WeakPolarHBondContact CG-O 3.34Å; S330-N332 PolarHBondContact O-N 2.93Å; S330-N332 VanDerWaalsContact O-N 3.14Å; S330-N332 PolarHBondContact OG-OD1 3.47Å; S330-M333 WeakPolarHBondContact O-CA 3.28Å; S330-M333 PolarHBondContact O-N 3.04Å; S330-L334 PolarHBondContact OG-N 3.1Å; S330-R335 WeakPolarHBondContact CB-O 3.17Å; S330-R335 PolarHBondContact N-O 2.82Å; S330-R335 PolarHBondContact OG-N 2.88Å; S330-R335 PolarHBondContact OG-O 3.17Å | ||
| 331 | E | 93.7 | Very high | 96.6 | Very high | 75 Ų | 75 | 36.7 Ų | 36.7 | 35% | 0.35 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -35 | -177.9 | -67.4 | 177.8 | -177.3 | 0 | 0 | 113.8 | Q40 I285 M333 | Q40-E331 PolarHBondContact NE2-OE1 3.11Å; Q40-E331 PolarHBondContact NE2-OE2 2.77Å; I285-E331 HydrophobicContact CD1-CB 3.98Å; I285-E331 HydrophobicContact CD1-CG 3.75Å; I285-E331 HydrophobicContact CG1-CB 4.11Å; I285-E331 HydrophobicContact CG1-CG 4.37Å; E331-M333 VanDerWaalsContact C-N 3.31Å |
| 332 | N | 94.9 | Very high | 96.7 | Very high | 75 Ų | 75 | 30.9 Ų | 30.9 | 40% | 0.401 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 3.5 | 176 | 68 | 2.8 | 0 | 0 | 0 | 114.1 | S330 L334 | S330-N332 PolarHBondContact O-N 2.93Å; S330-N332 VanDerWaalsContact O-N 3.14Å; S330-N332 PolarHBondContact OG-OD1 3.47Å; N332-L334 HydrophobicContact CB-CG 4.38Å; N332-L334 WeakPolarHBondContact O-CG 3.42Å; N332-L334 PolarHBondContact O-N 3.33Å; N332-L334 VanDerWaalsContact O-N 3.08Å; N332-L334 PolarHBondContact OD1-N 3.02Å; N332-L334 VanDerWaalsContact OD1-N 3.09Å |
| 333 | M | 95.8 | Very high | 96.7 | Very high | 22 Ų | 22 | 29.5 Ų | 29.5 | 11% | 0.108 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 60.6 | 14 | -179.9 | -56.3 | -67.7 | -75.2 | 0 | 0 | 115.2 | P284 L290 I308 F329 S330 E331 W336 | P284-M333 WeakPolarHBondContact CD-SD 3.31Å; P284-M333 HydrophobicContact CG-SD 3.58Å; P284-M333 VanDerWaalsContact CG-SD 3.58Å; L290-M333 HydrophobicContact CD1-CE 3.53Å; I308-M333 HydrophobicContact CG2-CE 3.68Å; F329-M333 HydrophobicContact CB-CE 4.21Å; F329-M333 HydrophobicContact CB-SD 3.52Å; F329-M333 VanDerWaalsContact CB-SD 3.52Å; F329-M333 HydrophobicContact CD1-CE 3.41Å; F329-M333 VanDerWaalsContact CD1-CE 3.41Å; F329-M333 HydrophobicContact CD1-SD 3.86Å; F329-M333 HydrophobicContact CD2-CE 4.48Å; F329-M333 HydrophobicContact CE1-CE 3.83Å; F329-M333 HydrophobicContact CG-CE 3.79Å; F329-M333 HydrophobicContact CG-SD 3.8Å; S330-M333 WeakPolarHBondContact O-CA 3.28Å; S330-M333 PolarHBondContact O-N 3.04Å; E331-M333 VanDerWaalsContact C-N 3.31Å; M333-W336 PolarHBondContact O-NE1 2.7Å |
| 334 | L | 96.6 | Very high | 96.7 | Very high | 56 Ų | 56 | 29.8 Ų | 29.8 | 29% | 0.293 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -92.5 | -10.8 | -178.4 | -57.6 | -176.9 | 0 | 0 | 0 | 114.1 | S330 N332 T353 K354 E355 | S330-L334 PolarHBondContact OG-N 3.1Å; N332-L334 HydrophobicContact CB-CG 4.38Å; N332-L334 WeakPolarHBondContact O-CG 3.42Å; N332-L334 PolarHBondContact O-N 3.33Å; N332-L334 VanDerWaalsContact O-N 3.08Å; N332-L334 PolarHBondContact OD1-N 3.02Å; N332-L334 VanDerWaalsContact OD1-N 3.09Å; L334-T353 WeakPolarHBondContact O-CA 3.01Å; L334-T353 WeakPolarHBondContact O-CB 3.45Å; L334-T353 PolarHBondContact O-OG1 3.34Å; L334-K354 HydrophobicContact CD2-CD 4.33Å; L334-K354 HydrophobicContact CD2-CG 3.92Å; L334-K354 PolarHBondContact O-N 3.45Å; L334-E355 HydrophobicContact CB-CG 3.69Å; L334-E355 HydrophobicContact CD1-CG 4.13Å |
| 335 | R | 97.7 | Very high | 96.6 | Very high | 30 Ų | 30 | 30.1 Ų | 30.1 | 11% | 0.113 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 125.3 | 178.4 | -65.5 | 178.2 | 171.1 | -124.1 | -7.3 | 110.6 | Q40 V41 L61 S330 L351 Y352 E355 | Q40-R335 WeakPolarHBondContact O-CD 3.44Å; V41-R335 HydrophobicContact CB-CB 3.87Å; V41-R335 HydrophobicContact CG1-CB 4.24Å; V41-R335 PolarHBondContact O-NH1 2.84Å; L61-R335 PolarHBondContact O-NH1 3.32Å; L61-R335 VanDerWaalsContact O-NH1 3.11Å; S330-R335 WeakPolarHBondContact CB-O 3.17Å; S330-R335 PolarHBondContact N-O 2.82Å; S330-R335 PolarHBondContact OG-N 2.88Å; S330-R335 PolarHBondContact OG-O 3.17Å; R335-L351 HydrophobicContact CB-CD1 4.29Å; R335-Y352 CarbonylContact C-O 3.57Å; R335-Y352 WeakPolarHBondContact CA-O 3.33Å; R335-E355 HydrophobicContact CG-CG 4.22Å; R335-E355 IonicContact CZ-OE1 3.3Å; R335-E355 IonicContact CZ-OE2 3.78Å; R335-E355 IonicContact NE-OE1 3.36Å; R335-E355 PolarHBondContact NE-OE1 2.85Å; R335-E355 IonicContact NE-OE2 3.55Å; R335-E355 PolarHBondContact NE-OE2 2.84Å; R335-E355 IonicContact NH2-OE1 3.17Å; R335-E355 IonicContact NH2-OE2 2.85Å; R335-E355 PolarHBondContact NH2-OE2 3.22Å |
| 336 | W | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 131 | 180 | -47.8 | -10.4 | 0 | 0 | 0 | 109.5 | I308 D311 L315 V326 R328 F329 M333 V338 Y352 | I308-W336 HydrophobicContact CB-CH2 3.82Å; I308-W336 HydrophobicContact CB-CZ2 4.12Å; I308-W336 HydrophobicContact CG2-CH2 4.15Å; I308-W336 HydrophobicContact CG2-CZ2 3.94Å; D311-W336 HydrophobicContact CB-CH2 3.31Å; D311-W336 HydrophobicContact CB-CZ2 3.87Å; D311-W336 HydrophobicContact CB-CZ3 3.95Å; L315-W336 HydrophobicContact CD1-CE3 3.71Å; L315-W336 HydrophobicContact CD1-CZ3 3.85Å; V326-W336 HydrophobicContact CG1-CB 4Å; V326-W336 HydrophobicContact CG1-CE3 4.5Å; V326-W336 HydrophobicContact CG1-CG 4.41Å; V326-W336 HydrophobicContact CG2-CE3 4Å; V326-W336 HydrophobicContact CG2-CZ3 4.37Å; R328-W336 CarbonylContact O-C 3.57Å; R328-W336 WeakPolarHBondContact O-CA 3.5Å; F329-W336 AromaticContact CD1-CD1 3.45Å; F329-W336 VanDerWaalsContact CD1-CD1 3.45Å; F329-W336 AromaticContact CD1-CD2 3.8Å; F329-W336 HydrophobicContact CD1-CD2 3.8Å; F329-W336 AromaticContact CD1-CE2 3.64Å; F329-W336 AromaticContact CD1-CG 3.74Å; F329-W336 HydrophobicContact CD1-CG 3.74Å; F329-W336 HydrophobicContact CD1-CZ2 4.27Å; F329-W336 AromaticContact CD1-NE1 3.49Å; F329-W336 AromaticContact CE1-CD2 3.62Å; F329-W336 HydrophobicContact CE1-CD2 3.62Å; F329-W336 AromaticContact CE1-CE2 3.57Å; F329-W336 AromaticContact CE1-CE3 3.97Å; F329-W336 HydrophobicContact CE1-CE3 3.97Å; F329-W336 HydrophobicContact CE1-CG 4.03Å; F329-W336 HydrophobicContact CE1-CH2 4.15Å; F329-W336 AromaticContact CE1-CZ2 3.87Å; F329-W336 HydrophobicContact CE1-CZ2 3.87Å; F329-W336 HydrophobicContact CE1-CZ3 4.21Å; F329-W336 AromaticContact CE1-NE1 3.94Å; M333-W336 PolarHBondContact O-NE1 2.7Å; W336-V338 HydrophobicContact CB-CG2 4.18Å; W336-Y352 HydrophobicContact CB-CD1 3.99Å; W336-Y352 AromaticContact CD2-CD1 3.46Å; W336-Y352 HydrophobicContact CD2-CD1 3.46Å; W336-Y352 VanDerWaalsContact CD2-CD1 3.46Å; W336-Y352 AromaticContact CD2-CE1 3.77Å; W336-Y352 HydrophobicContact CD2-CE1 3.77Å; W336-Y352 AromaticContact CE2-CD1 3.98Å; W336-Y352 AromaticContact CE2-CE1 3.8Å; W336-Y352 AromaticContact CE3-CD1 3.7Å; W336-Y352 HydrophobicContact CE3-CD1 3.7Å; W336-Y352 HydrophobicContact CE3-CE1 4.06Å; W336-Y352 HydrophobicContact CE3-CG 4.43Å; W336-Y352 AromaticContact CG-CD1 3.62Å; W336-Y352 HydrophobicContact CG-CD1 3.62Å; W336-Y352 HydrophobicContact CG-CE1 4.23Å; W336-Y352 HydrophobicContact CH2-CE1 4.46Å; W336-Y352 HydrophobicContact CZ2-CE1 4.17Å; W336-Y352 HydrophobicContact CZ3-CD1 4.42Å; W336-Y352 HydrophobicContact CZ3-CE1 4.39Å; W336-Y352 PolarHBondContact N-O 2.85Å; W336-Y352 PolarHBondContact O-N 2.91Å |
| 337 | L | 97.9 | Very high | 96.4 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 121.3 | 163.5 | -176.1 | 67.9 | 0 | 0 | 0 | 107.5 | L35 V37 V41 L44 V327 R328 Y349 L364 | L35-L337 HydrophobicContact CD2-CD2 4.32Å; V37-L337 HydrophobicContact CB-CD2 3.98Å; V37-L337 HydrophobicContact CG1-CB 4.37Å; V37-L337 HydrophobicContact CG1-CD2 3.78Å; V41-L337 HydrophobicContact CG1-CB 4.03Å; L44-L337 HydrophobicContact CD1-CD1 4.37Å; L44-L337 HydrophobicContact CD1-CD2 4.31Å; V327-L337 HydrophobicContact CB-CB 4.4Å; V327-L337 HydrophobicContact CB-CD2 4.12Å; V327-L337 HydrophobicContact CB-CG 4.19Å; V327-L337 HydrophobicContact CG1-CD2 3.93Å; V327-L337 PolarHBondContact N-O 3.02Å; R328-L337 HydrophobicContact CB-CB 4.47Å; R328-L337 PolarHBondContact N-O 2.97Å; R328-L337 PolarHBondContact O-N 3.19Å; L337-Y349 HydrophobicContact CD1-CD1 3.85Å; L337-Y349 HydrophobicContact CD2-CD1 4.04Å; L337-Y349 HydrophobicContact CD2-CE1 4.06Å; L337-Y349 HydrophobicContact CG-CD1 3.92Å; L337-Y349 HydrophobicContact CG-CE1 4.33Å; L337-L364 HydrophobicContact CD1-CD1 3.75Å |
| 338 | V | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 140.9 | -178.1 | 177.8 | 0 | 0 | 0 | 0 | 109 | L315 F319 F324 W336 Y349 Y350 | L315-V338 HydrophobicContact CD1-CG2 3.97Å; F319-V338 HydrophobicContact CE2-CG1 3.69Å; F319-V338 HydrophobicContact CZ-CG1 4.16Å; F324-V338 HydrophobicContact CB-CG1 3.76Å; F324-V338 HydrophobicContact CD2-CG1 3.5Å; F324-V338 VanDerWaalsContact CD2-CG1 3.5Å; F324-V338 HydrophobicContact CE2-CG1 4.43Å; F324-V338 HydrophobicContact CG-CG1 3.93Å; W336-V338 HydrophobicContact CB-CG2 4.18Å; V338-Y349 CarbonylContact O-C 3.58Å; V338-Y349 WeakPolarHBondContact O-CA 3.32Å; V338-Y350 PolarHBondContact N-O 3.19Å; V338-Y350 PolarHBondContact O-N 2.87Å |
| 339 | M | 97.5 | Very high | 96.4 | Very high | 38 Ų | 38 | 23.3 Ų | 23.3 | 19% | 0.187 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 121.9 | 170.9 | -174.5 | -174 | 75.7 | 0 | 0 | 109.2 | F324 T325 V327 Y341 S348 Y349 L367 | F324-M339 CarbonylContact C-O 3.55Å; F324-M339 VanDerWaalsContact CA-O 3.25Å; F324-M339 WeakPolarHBondContact CA-O 3.24Å; T325-M339 HydrophobicContact CG2-CB 4.36Å; T325-M339 HydrophobicContact CG2-CE 4.09Å; T325-M339 PolarHBondContact N-O 3.04Å; T325-M339 PolarHBondContact O-N 3.06Å; V327-M339 HydrophobicContact CG2-CB 3.62Å; M339-Y341 HydrophobicContact CE-CD1 4.31Å; M339-S348 CarbonylContact C-O 3.51Å; M339-S348 VanDerWaalsContact CA-O 3.29Å; M339-S348 WeakPolarHBondContact CA-O 3.38Å; M339-Y349 HydrophobicContact CB-CD1 4.17Å; M339-Y349 HydrophobicContact CB-CE1 3.97Å; M339-Y349 HydrophobicContact CG-CE1 4.26Å; M339-Y349 HydrophobicContact CG-CE2 4.26Å; M339-Y349 HydrophobicContact SD-CE1 4.42Å; M339-Y349 HydrophobicContact SD-CE2 4.17Å; M339-L367 HydrophobicContact SD-CD1 4.35Å |
| 340 | T | 98 | Very high | 96.4 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 147.8 | 169.8 | 70.5 | 0 | 0 | 0 | 0 | 110.5 | F319 L323 F324 N345 G347 S348 Y350 | F319-T340 HydrophobicContact CB-CG2 4.09Å; F319-T340 HydrophobicContact CD1-CG2 3.3Å; F319-T340 HydrophobicContact CD2-CG2 3.88Å; F319-T340 HydrophobicContact CE1-CG2 3.54Å; F319-T340 HydrophobicContact CE2-CG2 4.08Å; F319-T340 HydrophobicContact CG-CG2 3.49Å; F319-T340 VanDerWaalsContact CG-CG2 3.49Å; F319-T340 HydrophobicContact CZ-CG2 3.93Å; L323-T340 CarbonylContact O-C 3.49Å; L323-T340 WeakPolarHBondContact O-CA 3.38Å; L323-T340 WeakPolarHBondContact O-CB 3.43Å; F324-T340 HydrophobicContact CB-CG2 4.17Å; T340-N345 PolarHBondContact OG1-ND2 3.07Å; T340-G347 CarbonylContact O-C 3.56Å; T340-G347 WeakPolarHBondContact O-CA 3.39Å; T340-S348 PolarHBondContact N-O 2.77Å; T340-S348 PolarHBondContact O-N 2.69Å; T340-Y350 HydrophobicContact CG2-CD2 3.83Å; T340-Y350 HydrophobicContact CG2-CE2 3.59Å |
| 341 | Y | 96.9 | Very high | 96.5 | Very high | 36 Ų | 36 | 24.8 Ų | 24.8 | 14% | 0.141 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 157.8 | 177.6 | 65.9 | -81.1 | 0 | 0 | 0 | 110.7 | P299 L323 T325 M339 | P299-Y341 HydrophobicContact CG-CE2 4.47Å; L323-Y341 HydrophobicContact CB-CE1 4.16Å; L323-Y341 HydrophobicContact CB-CE2 4.22Å; L323-Y341 HydrophobicContact CD1-CE2 4.38Å; L323-Y341 PolarHBondContact N-O 2.85Å; L323-Y341 PolarHBondContact O-N 3.12Å; T325-Y341 HydrophobicContact CG2-CE1 4.3Å; M339-Y341 HydrophobicContact CE-CD1 4.31Å |
| 342 | S | 97 | Very high | 96.7 | Very high | 3 Ų | 3 | 21.2 Ų | 21.2 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | trans | -156.9 | -172.8 | 169.2 | 59.4 | 0 | 0 | 0 | 0 | 108.5 | D322 V344 N345 S429 Y430 | D322-S342 WeakPolarHBondContact OD1-CB 3.39Å; D322-S342 PolarHBondContact OD1-OG 3.5Å; S342-V344 PolarHBondContact O-N 3.46Å; S342-V344 PolarHBondContact OG-N 3.06Å; S342-N345 PolarHBondContact N-O 3.43Å; S342-N345 VanDerWaalsContact N-O 3.09Å; S342-N345 VanDerWaalsContact O-O 3.12Å; S342-N345 WeakPolarHBondContact OG-CB 3.49Å; S342-N345 PolarHBondContact OG-N 3.36Å; S342-S429 CarbonylContact O-C 3.57Å; S342-Y430 WeakPolarHBondContact O-CB 3.21Å; S342-Y430 PolarHBondContact O-N 3.06Å | ||
| 343 | D | 95.9 | Very high | 96.8 | Very high | 14 Ų | 14 | 18.2 Ų | 18.2 | 8% | 0.075 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -61.8 | -26.7 | 169 | 56.1 | -31.6 | 0 | 0 | 0 | 114 | V378 K379 W428 Q435 | D343-V378 VanDerWaalsContact OD2-CA 3.31Å; D343-V378 WeakPolarHBondContact OD2-CA 3.46Å; D343-V378 WeakPolarHBondContact OD2-CG1 3.46Å; D343-K379 HydrophobicContact CB-CB 3.53Å; D343-K379 PolarHBondContact OD2-N 2.8Å; D343-W428 HydrophobicContact CB-CZ2 4.05Å; D343-W428 WeakPolarHBondContact OD1-CZ2 3.46Å; D343-Q435 PolarHBondContact O-NE2 3.06Å |
| 344 | V | 95.7 | Very high | 96.9 | Very high | 55 Ų | 55 | 20.1 Ų | 20.1 | 33% | 0.333 | 10% | 0.099 | S | C | . | . | S | Bend | trans | -115.7 | 1.3 | -179.5 | -63.6 | 0 | 0 | 0 | 0 | 113.5 | S342 L376 A377 | S342-V344 PolarHBondContact O-N 3.46Å; S342-V344 PolarHBondContact OG-N 3.06Å; V344-L376 HydrophobicContact CB-CB 3.93Å; V344-L376 HydrophobicContact CG1-CB 3.8Å; V344-L376 WeakPolarHBondContact O-CD1 3.38Å; V344-A377 VanDerWaalsContact CG1-O 3.25Å; V344-A377 WeakPolarHBondContact CG1-O 3.31Å |
| 345 | N | 95.4 | Very high | 96.8 | Very high | 14 Ų | 14 | 20.9 Ų | 20.9 | 8% | 0.075 | 10% | 0.101 | C | C | . | . | trans | -117.6 | 107.6 | 172 | 176.1 | 5.4 | 0 | 0 | 0 | 109.7 | D322 T340 S342 G347 S348 | D322-N345 PolarHBondContact OD2-ND2 2.87Å; T340-N345 PolarHBondContact OG1-ND2 3.07Å; S342-N345 PolarHBondContact N-O 3.43Å; S342-N345 VanDerWaalsContact N-O 3.09Å; S342-N345 VanDerWaalsContact O-O 3.12Å; S342-N345 WeakPolarHBondContact OG-CB 3.49Å; S342-N345 PolarHBondContact OG-N 3.36Å; N345-G347 PolarHBondContact O-N 2.85Å; N345-G347 VanDerWaalsContact O-N 3.16Å; N345-G347 PolarHBondContact OD1-N 3.28Å; N345-S348 PolarHBondContact OD1-OG 2.82Å | ||
| 346 | P | 93.8 | Very high | 96.5 | Very high | 28 Ų | 28 | 22.8 Ų | 22.8 | 18% | 0.182 | 12% | 0.118 | C | C | . | . | trans | -69.6 | -8.5 | -178.8 | 28.3 | -35.2 | 0 | 0 | 0 | 114.4 | K368 L371 Y430 | P346-K368 HydrophobicContact CB-CB 4.31Å; P346-K368 HydrophobicContact CB-CG 4.37Å; P346-K368 HydrophobicContact CG-CB 3.78Å; P346-K368 HydrophobicContact CG-CG 4.37Å; P346-L371 HydrophobicContact CG-CD1 4.38Å; P346-Y430 HydrophobicContact CB-CD1 3.57Å; P346-Y430 HydrophobicContact CB-CD2 4.01Å; P346-Y430 HydrophobicContact CB-CE1 3.72Å; P346-Y430 HydrophobicContact CB-CE2 4.15Å; P346-Y430 HydrophobicContact CB-CG 3.72Å | ||
| 347 | G | 95.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | trans | 134.2 | 128.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | T340 N345 L367 | T340-G347 CarbonylContact O-C 3.56Å; T340-G347 WeakPolarHBondContact O-CA 3.39Å; N345-G347 PolarHBondContact O-N 2.85Å; N345-G347 VanDerWaalsContact O-N 3.16Å; N345-G347 PolarHBondContact OD1-N 3.28Å; G347-L367 WeakPolarHBondContact O-CB 3.31Å; G347-L367 PolarHBondContact O-N 3.41Å | ||
| 348 | S | 95.8 | Very high | 96.1 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 134.2 | 173.9 | -57.3 | 0 | 0 | 0 | 0 | 111 | M339 T340 N345 Y350 L365 H366 | M339-S348 CarbonylContact C-O 3.51Å; M339-S348 VanDerWaalsContact CA-O 3.29Å; M339-S348 WeakPolarHBondContact CA-O 3.38Å; T340-S348 PolarHBondContact N-O 2.77Å; T340-S348 PolarHBondContact O-N 2.69Å; N345-S348 PolarHBondContact OD1-OG 2.82Å; S348-Y350 WeakPolarHBondContact O-CD2 3.5Å; S348-L365 WeakPolarHBondContact CA-O 3.46Å; S348-H366 PolarHBondContact OG-ND1 2.78Å |
| 349 | Y | 96.1 | Very high | 96 | Very high | 27 Ų | 27 | 37 Ų | 37 | 11% | 0.106 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 137.4 | -177 | -75.9 | -89.3 | 0 | 0 | 0 | 112.1 | L35 V327 L337 V338 M339 L364 L365 L367 | L35-Y349 HydrophobicContact CD1-CD2 3.79Å; L35-Y349 HydrophobicContact CD1-CE2 3.78Å; L35-Y349 HydrophobicContact CD1-CG 4.21Å; L35-Y349 HydrophobicContact CD2-CD1 4.15Å; L35-Y349 HydrophobicContact CD2-CE1 3.67Å; L35-Y349 HydrophobicContact CD2-CE2 4.16Å; V327-Y349 HydrophobicContact CG2-CE1 4Å; L337-Y349 HydrophobicContact CD1-CD1 3.85Å; L337-Y349 HydrophobicContact CD2-CD1 4.04Å; L337-Y349 HydrophobicContact CD2-CE1 4.06Å; L337-Y349 HydrophobicContact CG-CD1 3.92Å; L337-Y349 HydrophobicContact CG-CE1 4.33Å; V338-Y349 CarbonylContact O-C 3.58Å; V338-Y349 WeakPolarHBondContact O-CA 3.32Å; M339-Y349 HydrophobicContact CB-CD1 4.17Å; M339-Y349 HydrophobicContact CB-CE1 3.97Å; M339-Y349 HydrophobicContact CG-CE1 4.26Å; M339-Y349 HydrophobicContact CG-CE2 4.26Å; M339-Y349 HydrophobicContact SD-CE1 4.42Å; M339-Y349 HydrophobicContact SD-CE2 4.17Å; Y349-L364 WeakPolarHBondContact O-CB 3.41Å; Y349-L364 PolarHBondContact O-N 3.36Å; Y349-L365 HydrophobicContact CD2-CD1 3.81Å; Y349-L365 PolarHBondContact N-O 3.35Å; Y349-L365 PolarHBondContact O-N 2.84Å; Y349-L367 HydrophobicContact CD2-CD2 4.29Å; Y349-L367 HydrophobicContact CD2-CG 4.25Å; Y349-L367 HydrophobicContact CE2-CD1 4.04Å; Y349-L367 HydrophobicContact CE2-CD2 3.69Å; Y349-L367 HydrophobicContact CE2-CG 3.79Å |
| 350 | Y | 97.9 | Very high | 96 | Very high | 42 Ų | 42 | 36 Ų | 36 | 17% | 0.165 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 148.8 | 176.9 | -61.8 | -98.3 | 0 | 0 | 0 | 110 | F319 V338 T340 S348 V361 F362 F363 | F319-Y350 HydrophobicContact CD1-CE2 4.49Å; F319-Y350 AromaticContact CE1-CD1 3.92Å; F319-Y350 HydrophobicContact CE1-CD1 3.92Å; F319-Y350 AromaticContact CE1-CD2 3.71Å; F319-Y350 HydrophobicContact CE1-CD2 3.71Å; F319-Y350 HydrophobicContact CE1-CE1 4.03Å; F319-Y350 AromaticContact CE1-CE2 3.82Å; F319-Y350 HydrophobicContact CE1-CE2 3.82Å; F319-Y350 AromaticContact CE1-CG 3.77Å; F319-Y350 HydrophobicContact CE1-CG 3.77Å; F319-Y350 AromaticContact CE1-CZ 3.99Å; F319-Y350 HydrophobicContact CZ-CD1 4.3Å; F319-Y350 AromaticContact CZ-CD2 3.93Å; F319-Y350 HydrophobicContact CZ-CD2 3.93Å; F319-Y350 HydrophobicContact CZ-CE2 4.48Å; F319-Y350 AromaticContact CZ-CG 3.83Å; F319-Y350 HydrophobicContact CZ-CG 3.83Å; V338-Y350 PolarHBondContact N-O 3.19Å; V338-Y350 PolarHBondContact O-N 2.87Å; T340-Y350 HydrophobicContact CG2-CD2 3.83Å; T340-Y350 HydrophobicContact CG2-CE2 3.59Å; S348-Y350 WeakPolarHBondContact O-CD2 3.5Å; Y350-V361 HydrophobicContact CD1-CG1 3.9Å; Y350-V361 HydrophobicContact CG-CG1 4.31Å; Y350-F362 CarbonylContact C-O 3.57Å; Y350-F362 VanDerWaalsContact CA-O 3.25Å; Y350-F362 WeakPolarHBondContact CA-O 3.44Å; Y350-F363 HydrophobicContact CD1-CB 3.99Å; Y350-F363 HydrophobicContact CD1-CD2 4.29Å; Y350-F363 HydrophobicContact CE1-CB 3.77Å; Y350-F363 AromaticContact CE1-CD2 3.69Å; Y350-F363 HydrophobicContact CE1-CD2 3.69Å; Y350-F363 HydrophobicContact CE1-CG 4.23Å; Y350-F363 AromaticContact CZ-CD2 3.82Å |
| 351 | L | 98 | Very high | 96 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 119.7 | 162.1 | 175.2 | 75.5 | 0 | 0 | 0 | 108 | V41 L61 P62 R335 T353 V361 F362 L364 | V41-L351 HydrophobicContact CG1-CD1 3.68Å; L61-L351 HydrophobicContact CB-CD2 4.13Å; L61-L351 HydrophobicContact CD1-CD1 4.36Å; P62-L351 HydrophobicContact CB-CD2 3.85Å; R335-L351 HydrophobicContact CB-CD1 4.29Å; L351-T353 HydrophobicContact CD2-CG2 4.43Å; L351-V361 CarbonylContact O-C 3.54Å; L351-V361 WeakPolarHBondContact O-CA 3.25Å; L351-F362 HydrophobicContact CB-CB 4.35Å; L351-F362 HydrophobicContact CD2-CD2 4.14Å; L351-F362 PolarHBondContact N-O 2.88Å; L351-F362 PolarHBondContact O-N 3.43Å; L351-L364 HydrophobicContact CB-CD1 4.23Å; L351-L364 HydrophobicContact CB-CD2 4.15Å; L351-L364 HydrophobicContact CB-CG 4.42Å |
| 352 | Y | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 137.7 | 161.2 | 165.6 | -93.1 | 0 | 0 | 0 | 109.4 | D311 F314 L315 R335 W336 R359 S360 V361 | D311-Y352 HydrophobicContact CB-CE1 4.32Å; D311-Y352 PolarHBondContact OD1-OH 3.47Å; F314-Y352 HydrophobicContact CD1-CD2 4.41Å; F314-Y352 AromaticContact CD1-CE2 3.99Å; F314-Y352 HydrophobicContact CD1-CE2 3.99Å; F314-Y352 HydrophobicContact CE1-CD2 4.27Å; F314-Y352 HydrophobicContact CE1-CE2 4.09Å; L315-Y352 HydrophobicContact CD1-CD1 4.46Å; L315-Y352 HydrophobicContact CD1-CD2 4.17Å; L315-Y352 HydrophobicContact CD1-CG 3.98Å; L315-Y352 HydrophobicContact CD2-CD2 3.61Å; L315-Y352 HydrophobicContact CD2-CE2 4.42Å; L315-Y352 HydrophobicContact CD2-CG 4.05Å; L315-Y352 HydrophobicContact CG-CD2 4.04Å; L315-Y352 HydrophobicContact CG-CG 4.35Å; R335-Y352 CarbonylContact C-O 3.57Å; R335-Y352 WeakPolarHBondContact CA-O 3.33Å; W336-Y352 HydrophobicContact CB-CD1 3.99Å; W336-Y352 AromaticContact CD2-CD1 3.46Å; W336-Y352 HydrophobicContact CD2-CD1 3.46Å; W336-Y352 VanDerWaalsContact CD2-CD1 3.46Å; W336-Y352 AromaticContact CD2-CE1 3.77Å; W336-Y352 HydrophobicContact CD2-CE1 3.77Å; W336-Y352 AromaticContact CE2-CD1 3.98Å; W336-Y352 AromaticContact CE2-CE1 3.8Å; W336-Y352 AromaticContact CE3-CD1 3.7Å; W336-Y352 HydrophobicContact CE3-CD1 3.7Å; W336-Y352 HydrophobicContact CE3-CE1 4.06Å; W336-Y352 HydrophobicContact CE3-CG 4.43Å; W336-Y352 AromaticContact CG-CD1 3.62Å; W336-Y352 HydrophobicContact CG-CD1 3.62Å; W336-Y352 HydrophobicContact CG-CE1 4.23Å; W336-Y352 HydrophobicContact CH2-CE1 4.46Å; W336-Y352 HydrophobicContact CZ2-CE1 4.17Å; W336-Y352 HydrophobicContact CZ3-CD1 4.42Å; W336-Y352 HydrophobicContact CZ3-CE1 4.39Å; W336-Y352 PolarHBondContact N-O 2.85Å; W336-Y352 PolarHBondContact O-N 2.91Å; Y352-R359 HydrophobicContact CE2-CB 3.95Å; Y352-R359 HydrophobicContact CE2-CG 4.05Å; Y352-S360 CarbonylContact C-O 3.58Å; Y352-S360 WeakPolarHBondContact CA-O 3.19Å; Y352-V361 HydrophobicContact CD2-CG2 4.2Å |
| 353 | T | 97.8 | Very high | 95.9 | Very high | 11 Ų | 11 | 43.9 Ų | 43.9 | 7% | 0.067 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 150.1 | 173.2 | -175.7 | 0 | 0 | 0 | 0 | 112.8 | L334 L351 E355 S360 F362 | L334-T353 WeakPolarHBondContact O-CA 3.01Å; L334-T353 WeakPolarHBondContact O-CB 3.45Å; L334-T353 PolarHBondContact O-OG1 3.34Å; L351-T353 HydrophobicContact CD2-CG2 4.43Å; T353-E355 PolarHBondContact OG1-N 3.03Å; T353-S360 PolarHBondContact N-O 2.91Å; T353-S360 PolarHBondContact O-N 3.44Å; T353-F362 HydrophobicContact CG2-CD2 4.33Å; T353-F362 HydrophobicContact CG2-CE2 3.85Å |
| 354 | K | 96.3 | Very high | 95.8 | Very high | 62 Ų | 62 | 43.6 Ų | 43.6 | 27% | 0.27 | 23% | 0.232 | S | C | . | . | trans | -125.8 | 18.3 | 172.6 | 61.7 | 179.5 | 177.2 | -173.6 | 0 | 113.5 | D311 L334 S356 G357 F358 | D311-K354 IonicContact OD2-NZ 3.62Å; D311-K354 PolarHBondContact OD2-NZ 3.46Å; L334-K354 HydrophobicContact CD2-CD 4.33Å; L334-K354 HydrophobicContact CD2-CG 3.92Å; L334-K354 PolarHBondContact O-N 3.45Å; K354-S356 VanDerWaalsContact C-N 3.26Å; K354-S356 PolarHBondContact O-N 2.78Å; K354-G357 PolarHBondContact O-N 3.26Å; K354-F358 WeakPolarHBondContact CA-O 3.41Å | ||
| 355 | E | 94.2 | Very high | 95.6 | Very high | 73 Ų | 73 | 41.6 Ų | 41.6 | 34% | 0.341 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -31.3 | -177.8 | -75.8 | -175.9 | 151.2 | 0 | 0 | 113.8 | L334 R335 T353 G357 | L334-E355 HydrophobicContact CB-CG 3.69Å; L334-E355 HydrophobicContact CD1-CG 4.13Å; R335-E355 HydrophobicContact CG-CG 4.22Å; R335-E355 IonicContact CZ-OE1 3.3Å; R335-E355 IonicContact CZ-OE2 3.78Å; R335-E355 IonicContact NE-OE1 3.36Å; R335-E355 PolarHBondContact NE-OE1 2.85Å; R335-E355 IonicContact NE-OE2 3.55Å; R335-E355 PolarHBondContact NE-OE2 2.84Å; R335-E355 IonicContact NH2-OE1 3.17Å; R335-E355 IonicContact NH2-OE2 2.85Å; R335-E355 PolarHBondContact NH2-OE2 3.22Å; T353-E355 PolarHBondContact OG1-N 3.03Å; E355-G357 PolarHBondContact O-N 2.82Å |
| 356 | S | 92 | Very high | 95.4 | Very high | 69 Ų | 69 | 43.7 Ų | 43.7 | 48% | 0.483 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | 4 | 177.3 | 55.5 | 0 | 0 | 0 | 0 | 113.8 | K354 F358 | K354-S356 VanDerWaalsContact C-N 3.26Å; K354-S356 PolarHBondContact O-N 2.78Å; S356-F358 VanDerWaalsContact C-N 3.33Å; S356-F358 WeakPolarHBondContact OG-CD1 3.46Å; S356-F358 WeakPolarHBondContact OG-CE1 3.37Å; S356-F358 VanDerWaalsContact OG-CZ 3.29Å; S356-F358 WeakPolarHBondContact OG-CZ 3.44Å |
| 357 | G | 92.6 | Very high | 95.2 | Very high | 74 Ų | 74 | 44.9 Ų | 44.9 | 76% | 0.763 | 23% | 0.233 | S | C | * | . | S | Bend | trans | 85.8 | -1.2 | -175 | 0 | 0 | 0 | 0 | 0 | 114.6 | K354 E355 | K354-G357 PolarHBondContact O-N 3.26Å; E355-G357 PolarHBondContact O-N 2.82Å |
| 358 | F | 94.8 | Very high | 94.9 | Very high | 131 Ų | 131 | 46.4 Ų | 46.4 | 58% | 0.575 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -136 | 149.1 | 173.4 | 59.3 | -90.5 | 0 | 0 | 0 | 111.1 | K354 S356 S360 | K354-F358 WeakPolarHBondContact CA-O 3.41Å; S356-F358 VanDerWaalsContact C-N 3.33Å; S356-F358 WeakPolarHBondContact OG-CD1 3.46Å; S356-F358 WeakPolarHBondContact OG-CE1 3.37Å; S356-F358 VanDerWaalsContact OG-CZ 3.29Å; S356-F358 WeakPolarHBondContact OG-CZ 3.44Å; F358-S360 WeakPolarHBondContact CD2-OG 3.28Å; F358-S360 WeakPolarHBondContact CE2-OG 3.48Å; F358-S360 PolarHBondContact O-N 2.93Å |
| 359 | R | 96.8 | Very high | 94.5 | Very high | 94 Ų | 94 | 48 Ų | 48 | 36% | 0.355 | 26% | 0.256 | S | S | . | . | trans | -65.8 | 126.5 | 179 | -61.1 | -178.4 | -178.4 | 127 | 6.4 | 110.3 | E310 D311 F314 Y352 | E310-R359 VanDerWaalsContact CB-NH2 3.34Å; E310-R359 IonicContact OE2-NH2 2.74Å; E310-R359 PolarHBondContact OE2-NH2 3.03Å; D311-R359 IonicContact OD1-CZ 3.44Å; D311-R359 IonicContact OD1-NE 2.77Å; D311-R359 PolarHBondContact OD1-NE 3.24Å; D311-R359 IonicContact OD1-NH2 3.61Å; D311-R359 PolarHBondContact OD1-NH2 2.9Å; F314-R359 HydrophobicContact CD1-CB 4.22Å; F314-R359 HydrophobicContact CE1-CB 3.87Å; F314-R359 HydrophobicContact CE2-CB 4.42Å; F314-R359 HydrophobicContact CZ-CB 3.98Å; Y352-R359 HydrophobicContact CE2-CB 3.95Å; Y352-R359 HydrophobicContact CE2-CG 4.05Å | ||
| 360 | S | 97.1 | Very high | 94.1 | Very high | 18 Ų | 18 | 49 Ų | 49 | 13% | 0.126 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 139.6 | 177.8 | -60.3 | 0 | 0 | 0 | 0 | 110.4 | Y352 T353 F358 | Y352-S360 CarbonylContact C-O 3.58Å; Y352-S360 WeakPolarHBondContact CA-O 3.19Å; T353-S360 PolarHBondContact N-O 2.91Å; T353-S360 PolarHBondContact O-N 3.44Å; F358-S360 WeakPolarHBondContact CD2-OG 3.28Å; F358-S360 WeakPolarHBondContact CE2-OG 3.48Å; F358-S360 PolarHBondContact O-N 2.93Å |
| 361 | V | 97.9 | Very high | 93.8 | Very high | 32 Ų | 32 | 47.2 Ų | 47.2 | 19% | 0.194 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 123.6 | 176.4 | -174.2 | 0 | 0 | 0 | 0 | 108.9 | F314 L315 F318 F319 Y350 L351 Y352 | F314-V361 HydrophobicContact CE1-CG2 3.76Å; F314-V361 HydrophobicContact CZ-CG2 4.31Å; L315-V361 HydrophobicContact CD2-CG2 3.76Å; F318-V361 HydrophobicContact CD1-CG1 4.26Å; F318-V361 HydrophobicContact CD1-CG2 4.4Å; F318-V361 HydrophobicContact CE1-CB 4.07Å; F318-V361 HydrophobicContact CE1-CG1 3.74Å; F318-V361 HydrophobicContact CE1-CG2 4.4Å; F318-V361 HydrophobicContact CZ-CB 4.05Å; F318-V361 HydrophobicContact CZ-CG1 4.17Å; F318-V361 HydrophobicContact CZ-CG2 4.5Å; F319-V361 HydrophobicContact CE1-CG1 4.31Å; F319-V361 HydrophobicContact CZ-CG1 3.98Å; Y350-V361 HydrophobicContact CD1-CG1 3.9Å; Y350-V361 HydrophobicContact CG-CG1 4.31Å; L351-V361 CarbonylContact O-C 3.54Å; L351-V361 WeakPolarHBondContact O-CA 3.25Å; Y352-V361 HydrophobicContact CD2-CG2 4.2Å |
| 362 | F | 96.5 | Very high | 93.3 | Very high | 81 Ų | 81 | 51.4 Ų | 51.4 | 36% | 0.355 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 121.1 | 178.6 | -59.7 | -87.8 | 0 | 0 | 0 | 109.8 | P62 Y350 L351 T353 | P62-F362 HydrophobicContact CB-CB 4.19Å; P62-F362 HydrophobicContact CB-CD1 4Å; P62-F362 HydrophobicContact CB-CD2 3.88Å; P62-F362 HydrophobicContact CB-CE1 4.34Å; P62-F362 HydrophobicContact CB-CE2 4.23Å; P62-F362 HydrophobicContact CB-CG 3.75Å; P62-F362 HydrophobicContact CB-CZ 4.45Å; P62-F362 HydrophobicContact CG-CD2 4.45Å; P62-F362 HydrophobicContact CG-CE1 4.45Å; P62-F362 HydrophobicContact CG-CE2 4.31Å; P62-F362 HydrophobicContact CG-CZ 4.31Å; Y350-F362 CarbonylContact C-O 3.57Å; Y350-F362 VanDerWaalsContact CA-O 3.25Å; Y350-F362 WeakPolarHBondContact CA-O 3.44Å; L351-F362 HydrophobicContact CB-CB 4.35Å; L351-F362 HydrophobicContact CD2-CD2 4.14Å; L351-F362 PolarHBondContact N-O 2.88Å; L351-F362 PolarHBondContact O-N 3.43Å; T353-F362 HydrophobicContact CG2-CD2 4.33Å; T353-F362 HydrophobicContact CG2-CE2 3.85Å |
| 363 | F | 95.2 | Very high | 92.9 | Very high | 92 Ų | 92 | 61.2 Ų | 61.2 | 40% | 0.404 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 134.6 | 168.9 | 171.4 | -103.7 | 0 | 0 | 0 | 110.8 | Y350 L365 H366 | Y350-F363 HydrophobicContact CD1-CB 3.99Å; Y350-F363 HydrophobicContact CD1-CD2 4.29Å; Y350-F363 HydrophobicContact CE1-CB 3.77Å; Y350-F363 AromaticContact CE1-CD2 3.69Å; Y350-F363 HydrophobicContact CE1-CD2 3.69Å; Y350-F363 HydrophobicContact CE1-CG 4.23Å; Y350-F363 AromaticContact CZ-CD2 3.82Å; F363-L365 VanDerWaalsContact CE2-C 3.42Å; F363-H366 AromaticContact CE2-CD2 3.79Å; F363-H366 AromaticContact CE2-CE1 3.48Å; F363-H366 VanDerWaalsContact CE2-CE1 3.48Å; F363-H366 WeakPolarHBondContact CE2-CE1 3.39Å; F363-H366 AromaticContact CE2-ND1 3.82Å; F363-H366 AromaticContact CE2-NE2 3.44Å; F363-H366 WeakPolarHBondContact CE2-NE2 3.41Å; F363-H366 AromaticContact CZ-CD2 3.34Å; F363-H366 WeakPolarHBondContact CZ-CD2 3.47Å; F363-H366 AromaticContact CZ-CE1 3.82Å; F363-H366 AromaticContact CZ-CG 3.91Å; F363-H366 AromaticContact CZ-NE2 3.28Å; F363-H366 VanDerWaalsContact CZ-NE2 3.28Å; F363-H366 WeakPolarHBondContact CZ-NE2 3.4Å |
| 364 | L | 93.6 | Very high | 92.6 | Very high | 8 Ų | 8 | 63 Ų | 63 | 4% | 0.042 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | -53.9 | -179.9 | -55.2 | -177.7 | 0 | 0 | 0 | 112.5 | R59 L61 L337 Y349 L351 | R59-L364 PolarHBondContact NH1-O 2.78Å; L61-L364 HydrophobicContact CD1-CD1 4.33Å; L61-L364 HydrophobicContact CD2-CD1 3.99Å; L61-L364 HydrophobicContact CD2-CD2 3.75Å; L337-L364 HydrophobicContact CD1-CD1 3.75Å; Y349-L364 WeakPolarHBondContact O-CB 3.41Å; Y349-L364 PolarHBondContact O-N 3.36Å; L351-L364 HydrophobicContact CB-CD1 4.23Å; L351-L364 HydrophobicContact CB-CD2 4.15Å; L351-L364 HydrophobicContact CB-CG 4.42Å |
| 365 | L | 91.8 | Very high | 92.4 | Very high | 13 Ų | 13 | 65.2 Ų | 65.2 | 7% | 0.068 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.4 | 161.7 | -179 | 60.2 | 92.7 | 0 | 0 | 0 | 112.7 | I32 L35 L44 S348 Y349 F363 L367 | I32-L365 HydrophobicContact CD1-CD1 4.03Å; I32-L365 HydrophobicContact CD1-CD2 3.93Å; I32-L365 HydrophobicContact CD1-CG 4.4Å; L35-L365 HydrophobicContact CD1-CD1 4.05Å; L35-L365 HydrophobicContact CD1-CD2 3.9Å; L35-L365 HydrophobicContact CD1-CG 4.43Å; L44-L365 HydrophobicContact CD2-CD2 3.88Å; S348-L365 WeakPolarHBondContact CA-O 3.46Å; Y349-L365 HydrophobicContact CD2-CD1 3.81Å; Y349-L365 PolarHBondContact N-O 3.35Å; Y349-L365 PolarHBondContact O-N 2.84Å; F363-L365 VanDerWaalsContact CE2-C 3.42Å; L365-L367 HydrophobicContact CD1-CD2 4.45Å |
| 366 | H | 92.1 | Very high | 92.4 | Very high | 59 Ų | 59 | 62.6 Ų | 62.6 | 27% | 0.273 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 140.3 | 163.6 | -59.8 | -71 | 0 | 0 | 0 | 109.7 | S348 F363 K368 L372 | S348-H366 PolarHBondContact OG-ND1 2.78Å; F363-H366 AromaticContact CE2-CD2 3.79Å; F363-H366 AromaticContact CE2-CE1 3.48Å; F363-H366 VanDerWaalsContact CE2-CE1 3.48Å; F363-H366 WeakPolarHBondContact CE2-CE1 3.39Å; F363-H366 AromaticContact CE2-ND1 3.82Å; F363-H366 AromaticContact CE2-NE2 3.44Å; F363-H366 WeakPolarHBondContact CE2-NE2 3.41Å; F363-H366 AromaticContact CZ-CD2 3.34Å; F363-H366 WeakPolarHBondContact CZ-CD2 3.47Å; F363-H366 AromaticContact CZ-CE1 3.82Å; F363-H366 AromaticContact CZ-CG 3.91Å; F363-H366 AromaticContact CZ-NE2 3.28Å; F363-H366 VanDerWaalsContact CZ-NE2 3.28Å; F363-H366 WeakPolarHBondContact CZ-NE2 3.4Å; H366-K368 VanDerWaalsContact C-N 3.32Å; H366-L372 HydrophobicContact CB-CD1 4.4Å; H366-L372 WeakPolarHBondContact CD2-CD1 3.03Å; H366-L372 WeakPolarHBondContact NE2-CD1 3.48Å |
| 367 | L | 89.8 | Confident | 92.6 | Very high | 53 Ų | 53 | 59.4 Ų | 59.4 | 28% | 0.277 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -37.7 | 174.1 | -80 | -178.4 | 0 | 0 | 0 | 112.1 | M339 G347 Y349 L365 | M339-L367 HydrophobicContact SD-CD1 4.35Å; G347-L367 WeakPolarHBondContact O-CB 3.31Å; G347-L367 PolarHBondContact O-N 3.41Å; Y349-L367 HydrophobicContact CD2-CD2 4.29Å; Y349-L367 HydrophobicContact CD2-CG 4.25Å; Y349-L367 HydrophobicContact CE2-CD1 4.04Å; Y349-L367 HydrophobicContact CE2-CD2 3.69Å; Y349-L367 HydrophobicContact CE2-CG 3.79Å; L365-L367 HydrophobicContact CD1-CD2 4.45Å |
| 368 | K | 88.9 | Confident | 92.7 | Very high | 33 Ų | 33 | 60.5 Ų | 60.5 | 14% | 0.143 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.7 | 71.4 | 178.2 | -71.7 | -77.6 | -163.1 | 153.8 | 0 | 110 | E25 F26 P346 H366 S370 L371 | E25-K368 PolarHBondContact O-NZ 3.49Å; F26-K368 PolarHBondContact O-NZ 2.97Å; P346-K368 HydrophobicContact CB-CB 4.31Å; P346-K368 HydrophobicContact CB-CG 4.37Å; P346-K368 HydrophobicContact CG-CB 3.78Å; P346-K368 HydrophobicContact CG-CG 4.37Å; H366-K368 VanDerWaalsContact C-N 3.32Å; K368-S370 PolarHBondContact O-N 2.83Å; K368-L371 HydrophobicContact CB-CB 4.35Å; K368-L371 HydrophobicContact CB-CD1 3.85Å; K368-L371 HydrophobicContact CB-CG 4.3Å; K368-L371 HydrophobicContact CG-CD1 4.21Å; K368-L371 PolarHBondContact O-N 2.04Å |
| 369 | G | 87 | Confident | 92.8 | Very high | 35 Ų | 35 | 54.6 Ų | 54.6 | 36% | 0.361 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -25 | -175 | 0 | 0 | 0 | 0 | 0 | 114.9 | L372 | G369-L372 WeakPolarHBondContact O-CB 3.01Å; G369-L372 WeakPolarHBondContact O-CG 3.02Å; G369-L372 PolarHBondContact O-N 3.23Å |
| 370 | S | 88.3 | Confident | 92.8 | Very high | 49 Ų | 49 | 58.1 Ų | 58.1 | 34% | 0.343 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -70.2 | -35.2 | 178 | 52.8 | 0 | 0 | 0 | 0 | 112.5 | E25 K368 L372 R373 | E25-S370 WeakPolarHBondContact OE2-CB 3.29Å; E25-S370 PolarHBondContact OE2-OG 2.69Å; K368-S370 PolarHBondContact O-N 2.83Å; S370-L372 PolarHBondContact O-N 3.43Å; S370-L372 VanDerWaalsContact O-N 3.14Å; S370-R373 PolarHBondContact O-N 2.73Å |
| 371 | L | 90.5 | Very high | 92.8 | Very high | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -61.5 | -21.6 | 175.3 | -78.7 | 176 | 0 | 0 | 0 | 114 | I21 E25 F26 P346 K368 R373 H374 L376 Y430 | I21-L371 HydrophobicContact CG2-CD2 4.13Å; E25-L371 HydrophobicContact CB-CD2 3.69Å; E25-L371 HydrophobicContact CB-CG 4.32Å; F26-L371 HydrophobicContact CD1-CD2 4.44Å; F26-L371 HydrophobicContact CE1-CD2 4.17Å; P346-L371 HydrophobicContact CG-CD1 4.38Å; K368-L371 HydrophobicContact CB-CB 4.35Å; K368-L371 HydrophobicContact CB-CD1 3.85Å; K368-L371 HydrophobicContact CB-CG 4.3Å; K368-L371 HydrophobicContact CG-CD1 4.21Å; K368-L371 PolarHBondContact O-N 2.04Å; L371-R373 PolarHBondContact O-N 2.74Å; L371-R373 VanDerWaalsContact O-N 3.09Å; L371-H374 PolarHBondContact O-N 3.14Å; L371-L376 HydrophobicContact CD2-CD2 4.48Å; L371-Y430 HydrophobicContact CD1-CE2 4.22Å; L371-Y430 VanDerWaalsContact CD1-OH 3.27Å; L371-Y430 WeakPolarHBondContact CD1-OH 3.21Å |
| 372 | L | 88.2 | Confident | 92.8 | Very high | 87 Ų | 87 | 58.3 Ų | 58.3 | 46% | 0.455 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -61.3 | -19.9 | 178 | -64.8 | 178.9 | 0 | 0 | 0 | 114.2 | H366 G369 S370 H374 | H366-L372 HydrophobicContact CB-CD1 4.4Å; H366-L372 WeakPolarHBondContact CD2-CD1 3.03Å; H366-L372 WeakPolarHBondContact NE2-CD1 3.48Å; G369-L372 WeakPolarHBondContact O-CB 3.01Å; G369-L372 WeakPolarHBondContact O-CG 3.02Å; G369-L372 PolarHBondContact O-N 3.23Å; S370-L372 PolarHBondContact O-N 3.43Å; S370-L372 VanDerWaalsContact O-N 3.14Å; L372-H374 PolarHBondContact O-N 2.83Å |
| 373 | R | 89.8 | Confident | 92.9 | Very high | 206 Ų | 206 | 58.3 Ų | 58.3 | 78% | 0.777 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -76.9 | -13.1 | 177 | -58 | -178.8 | -171.6 | -160.7 | 4 | 112.2 | S370 L371 | S370-R373 PolarHBondContact O-N 2.73Å; L371-R373 PolarHBondContact O-N 2.74Å; L371-R373 VanDerWaalsContact O-N 3.09Å |
| 374 | H | 91.8 | Very high | 93.1 | Very high | 50 Ų | 50 | 54 Ų | 54 | 23% | 0.231 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -108.8 | 156.6 | -175.4 | -56.3 | -81.9 | 0 | 0 | 0 | 110.6 | I21 L371 L372 | I21-H374 HydrophobicContact CD1-CB 3.66Å; I21-H374 HydrophobicContact CG1-CB 3.91Å; I21-H374 HydrophobicContact CG2-CB 4.5Å; L371-H374 PolarHBondContact O-N 3.14Å; L372-H374 PolarHBondContact O-N 2.83Å |
| 375 | Q | 92.1 | Very high | 93.3 | Very high | 108 Ų | 108 | 58.9 Ų | 58.9 | 51% | 0.505 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -93.5 | 129.5 | 167.4 | -170.3 | 177.8 | 5.7 | 0 | 0 | 107.6 | L400 | Q375-L400 HydrophobicContact CB-CD1 3.73Å; Q375-L400 HydrophobicContact CG-CD1 3.59Å; Q375-L400 VanDerWaalsContact O-CD1 3.22Å; Q375-L400 WeakPolarHBondContact O-CD1 3.31Å |
| 376 | L | 94.5 | Very high | 93.6 | Very high | 17 Ų | 17 | 58.4 Ų | 58.4 | 9% | 0.089 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -100.4 | 157.6 | 176.9 | -66.1 | -174.1 | 0 | 0 | 0 | 110.6 | I21 F26 V344 L371 Y430 | I21-L376 HydrophobicContact CD1-CD2 3.86Å; F26-L376 HydrophobicContact CE1-CD2 4.2Å; F26-L376 HydrophobicContact CZ-CD2 4.48Å; V344-L376 HydrophobicContact CB-CB 3.93Å; V344-L376 HydrophobicContact CG1-CB 3.8Å; V344-L376 WeakPolarHBondContact O-CD1 3.38Å; L371-L376 HydrophobicContact CD2-CD2 4.48Å; L376-Y430 HydrophobicContact CD1-CD2 4.02Å; L376-Y430 HydrophobicContact CD1-CE2 3.74Å |
| 377 | A | 94.7 | Very high | 93.9 | Very high | 2 Ų | 2 | 62.4 Ų | 62.4 | 2% | 0.017 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -79.9 | 141 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V344 T397 M398 Q435 A438 | V344-A377 VanDerWaalsContact CG1-O 3.25Å; V344-A377 WeakPolarHBondContact CG1-O 3.31Å; A377-T397 HydrophobicContact CB-CG2 3.56Å; A377-M398 WeakPolarHBondContact CB-O 3.29Å; A377-Q435 PolarHBondContact O-NE2 2.84Å; A377-A438 HydrophobicContact CB-CB 3.58Å |
| 378 | V | 94.6 | Very high | 94.3 | Very high | 98 Ų | 98 | 63.9 Ų | 63.9 | 59% | 0.594 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -73.8 | 131.4 | 175.3 | 175.3 | 0 | 0 | 0 | 0 | 109.7 | D343 | D343-V378 VanDerWaalsContact OD2-CA 3.31Å; D343-V378 WeakPolarHBondContact OD2-CA 3.46Å; D343-V378 WeakPolarHBondContact OD2-CG1 3.46Å |
| 379 | K | 96.8 | Very high | 94.7 | Very high | 6 Ų | 6 | 64 Ų | 64 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 106 | 172.2 | -173.2 | 168.7 | -176.2 | 173.6 | 0 | 108.6 | D343 Y395 T397 Y427 W428 D446 | D343-K379 HydrophobicContact CB-CB 3.53Å; D343-K379 PolarHBondContact OD2-N 2.8Å; K379-Y395 HydrophobicContact CD-CG 4.47Å; K379-Y395 VanDerWaalsContact CE-CG 3.44Å; K379-Y395 HydrophobicContact CG-CG 4.43Å; K379-T397 WeakPolarHBondContact CG-OG1 3.25Å; K379-Y427 PolarHBondContact NZ-O 3.1Å; K379-W428 PolarHBondContact O-NE1 3.37Å; K379-D446 VanDerWaalsContact CE-OD1 3.3Å; K379-D446 WeakPolarHBondContact CE-OD1 3.43Å; K379-D446 IonicContact NZ-OD1 2.66Å; K379-D446 PolarHBondContact NZ-OD1 3.28Å; K379-D446 IonicContact NZ-OD2 3.16Å; K379-D446 PolarHBondContact NZ-OD2 3.13Å |
| 380 | R | 96.9 | Very high | 95.3 | Very high | 168 Ų | 168 | 64 Ų | 64 | 63% | 0.634 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 122.2 | -178 | 177.7 | 177.3 | 174.4 | 174.8 | -0.9 | 110.6 | L382 Y395 L396 | R380-L382 WeakPolarHBondContact O-CD2 3.29Å; R380-Y395 CarbonylContact O-C 3.56Å; R380-Y395 WeakPolarHBondContact O-CA 3.4Å; R380-L396 PolarHBondContact N-O 2.96Å; R380-L396 PolarHBondContact O-N 3.27Å |
| 381 | P | 98 | Very high | 95.7 | Very high | 31 Ų | 31 | 68.4 Ų | 68.4 | 20% | 0.201 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 144 | 168.8 | 30.7 | -33.6 | 0 | 0 | 0 | 111.4 | L297 K298 C394 Y395 | L297-P381 HydrophobicContact CB-CB 3.96Å; L297-P381 HydrophobicContact CB-CG 4.48Å; L297-P381 HydrophobicContact CD2-CB 4.2Å; L297-P381 HydrophobicContact CG-CB 4.47Å; K298-P381 HydrophobicContact CG-CG 4.33Å; P381-C394 WeakPolarHBondContact CA-O 3.48Å; P381-Y395 HydrophobicContact CB-CD1 3.88Å; P381-Y395 HydrophobicContact CB-CE1 3.83Å |
| 382 | L | 98 | Very high | 96.1 | Very high | 23 Ų | 23 | 68.2 Ų | 68.2 | 12% | 0.12 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 166.7 | 172.4 | 63.2 | 147.9 | 0 | 0 | 0 | 111.2 | R380 I384 C394 L396 W481 | R380-L382 WeakPolarHBondContact O-CD2 3.29Å; L382-I384 HydrophobicContact CD1-CD1 4.02Å; L382-I384 HydrophobicContact CD1-CG1 3.71Å; L382-I384 HydrophobicContact CG-CG1 4.48Å; L382-C394 HydrophobicContact CD2-CB 4.48Å; L382-C394 HydrophobicContact CG-CB 4.22Å; L382-C394 PolarHBondContact N-O 2.9Å; L382-C394 PolarHBondContact O-N 2.9Å; L382-C394 VanDerWaalsContact O-O 3.05Å; L382-L396 HydrophobicContact CD2-CB 3.66Å; L382-W481 HydrophobicContact CD1-CH2 3.34Å; L382-W481 HydrophobicContact CD1-CZ2 3.34Å; L382-W481 HydrophobicContact CD1-CZ3 3.94Å |
| 383 | E | 98.4 | Very high | 96.6 | Very high | 81 Ų | 81 | 64 Ų | 64 | 38% | 0.379 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 136.2 | 169.5 | -61.6 | 176.9 | 127.9 | 0 | 0 | 109 | Y296 L297 Q392 | Y296-E383 WeakPolarHBondContact CE1-OE1 3.24Å; Y296-E383 PolarHBondContact OH-OE1 3.31Å; L297-E383 HydrophobicContact CD2-CG 4.32Å; E383-Q392 WeakPolarHBondContact CA-O 3.47Å |
| 384 | I | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 134.4 | 171.2 | -60.3 | 177.5 | 0 | 0 | 0 | 107.8 | L382 Q392 C394 L445 A478 W481 | L382-I384 HydrophobicContact CD1-CD1 4.02Å; L382-I384 HydrophobicContact CD1-CG1 3.71Å; L382-I384 HydrophobicContact CG-CG1 4.48Å; I384-Q392 HydrophobicContact CB-CG 3.93Å; I384-Q392 HydrophobicContact CG2-CG 4.44Å; I384-Q392 PolarHBondContact N-O 2.93Å; I384-Q392 WeakPolarHBondContact O-CG 3.46Å; I384-Q392 PolarHBondContact O-N 2.94Å; I384-C394 HydrophobicContact CD1-CB 4.15Å; I384-C394 HydrophobicContact CG1-CB 4.36Å; I384-L445 HydrophobicContact CD1-CD1 4.15Å; I384-L445 HydrophobicContact CD1-CD2 3.96Å; I384-A478 HydrophobicContact CD1-CB 4.32Å; I384-W481 HydrophobicContact CD1-CB 4.12Å; I384-W481 HydrophobicContact CD1-CD2 3.56Å; I384-W481 HydrophobicContact CD1-CE3 3.55Å; I384-W481 HydrophobicContact CD1-CG 3.81Å; I384-W481 HydrophobicContact CD1-CZ3 4.21Å; I384-W481 HydrophobicContact CG1-CD2 3.91Å; I384-W481 HydrophobicContact CG1-CE3 4.34Å; I384-W481 HydrophobicContact CG1-CG 3.98Å; I384-W481 HydrophobicContact CG2-CB 3.78Å; I384-W481 HydrophobicContact CG2-CG 3.87Å |
| 385 | E | 98.2 | Very high | 97.3 | Very high | 112 Ų | 112 | 51.9 Ų | 51.9 | 52% | 0.523 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 125.8 | 175.4 | -166.6 | 174.8 | 139.5 | 0 | 0 | 109.8 | F390 | E385-F390 WeakPolarHBondContact CA-O 3.35Å |
| 386 | S | 98.1 | Very high | 97.6 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | trans | -74.5 | 163 | 169.4 | -55.9 | 0 | 0 | 0 | 0 | 110.6 | D388 G389 F390 Q392 D474 D477 | S386-D388 PolarHBondContact O-N 2.91Å; S386-G389 PolarHBondContact O-N 2.89Å; S386-F390 PolarHBondContact N-O 3.36Å; S386-Q392 PolarHBondContact OG-NE2 3Å; S386-D474 VanDerWaalsContact CB-OD1 3.23Å; S386-D474 WeakPolarHBondContact CB-OD1 3.3Å; S386-D474 PolarHBondContact OG-OD1 3.28Å; S386-D477 VanDerWaalsContact CA-OD2 3.29Å; S386-D477 WeakPolarHBondContact CA-OD2 3.41Å; S386-D477 WeakPolarHBondContact CB-OD2 3.16Å | ||
| 387 | R | 98.2 | Very high | 97.8 | Very high | 143 Ų | 143 | 46.5 Ų | 46.5 | 54% | 0.54 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -20 | -174.8 | 67.6 | -172.2 | 63.4 | 164.3 | 2.3 | 115.4 | D473 D477 | R387-D473 IonicContact CZ-OD1 2.94Å; R387-D473 IonicContact NH1-OD1 3.19Å; R387-D473 PolarHBondContact NH1-OD1 3.19Å; R387-D473 IonicContact NH1-OD2 3.84Å; R387-D473 IonicContact NH2-OD1 3.68Å; R387-D477 WeakPolarHBondContact CB-OD2 3.25Å; R387-D477 WeakPolarHBondContact CG-OD2 3.47Å; R387-D477 IonicContact CZ-OD1 2.69Å; R387-D477 PolarHBondContact N-OD2 2.94Å; R387-D477 IonicContact NE-OD1 3.59Å; R387-D477 PolarHBondContact NE-OD1 2.83Å; R387-D477 IonicContact NE-OD2 3.97Å; R387-D477 PolarHBondContact NE-OD2 2.94Å; R387-D477 IonicContact NH2-OD1 3.8Å; R387-D477 PolarHBondContact NH2-OD1 2.75Å; R387-D477 IonicContact NH2-OD2 2.69Å |
| 388 | D | 98.1 | Very high | 97.8 | Very high | 83 Ų | 83 | 49.8 Ų | 49.8 | 44% | 0.444 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 10.3 | 177.1 | 70.2 | -15.3 | 0 | 0 | 0 | 113.6 | S386 F390 R450 | S386-D388 PolarHBondContact O-N 2.91Å; D388-F390 VanDerWaalsContact C-N 3.35Å; D388-F390 WeakPolarHBondContact OD1-CB 3.49Å; D388-F390 PolarHBondContact OD1-N 2.76Å; D388-R450 VanDerWaalsContact CG-NH2 3.32Å; D388-R450 IonicContact OD1-CZ 3.71Å; D388-R450 IonicContact OD1-NH1 3.63Å; D388-R450 IonicContact OD1-NH2 3.49Å; D388-R450 PolarHBondContact OD1-NH2 2.85Å; D388-R450 IonicContact OD2-CZ 2.74Å; D388-R450 IonicContact OD2-NH1 3.62Å; D388-R450 PolarHBondContact OD2-NH1 2.94Å; D388-R450 IonicContact OD2-NH2 2.7Å; D388-R450 PolarHBondContact OD2-NH2 3.21Å; D388-R450 VanDerWaalsContact OD2-NH2 3.16Å |
| 389 | G | 98.1 | Very high | 97.7 | Very high | 36 Ų | 36 | 45.6 Ų | 45.6 | 37% | 0.371 | 21% | 0.211 | S | C | . | . | S | Bend | trans | 86 | 0.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | S386 R391 | S386-G389 PolarHBondContact O-N 2.89Å; G389-R391 PolarHBondContact O-N 2.85Å |
| 390 | F | 98.3 | Very high | 97.2 | Very high | 35 Ų | 35 | 48.1 Ų | 48.1 | 15% | 0.154 | 22% | 0.224 | C | C | . | . | trans | -65.7 | 131.6 | 174.9 | -169.1 | -92.3 | 0 | 0 | 0 | 110.6 | E385 S386 D388 R450 Y459 A462 | E385-F390 WeakPolarHBondContact CA-O 3.35Å; S386-F390 PolarHBondContact N-O 3.36Å; D388-F390 VanDerWaalsContact C-N 3.35Å; D388-F390 WeakPolarHBondContact OD1-CB 3.49Å; D388-F390 PolarHBondContact OD1-N 2.76Å; F390-R450 VanDerWaalsContact CB-NH2 3.33Å; F390-R450 HydrophobicContact CD1-CB 4.05Å; F390-R450 HydrophobicContact CD2-CB 4.35Å; F390-R450 HydrophobicContact CE1-CB 3.51Å; F390-R450 HydrophobicContact CE2-CB 3.84Å; F390-R450 HydrophobicContact CG-CB 4.44Å; F390-R450 HydrophobicContact CZ-CB 3.38Å; F390-Y459 HydrophobicContact CE1-CD2 4.14Å; F390-Y459 HydrophobicContact CE1-CE1 4.11Å; F390-Y459 AromaticContact CE1-CE2 3.56Å; F390-Y459 HydrophobicContact CE1-CE2 3.56Å; F390-Y459 AromaticContact CE1-CZ 3.53Å; F390-Y459 HydrophobicContact CE2-CD2 4.22Å; F390-Y459 HydrophobicContact CE2-CE2 4.43Å; F390-Y459 AromaticContact CZ-CD1 3.98Å; F390-Y459 HydrophobicContact CZ-CD1 3.98Å; F390-Y459 AromaticContact CZ-CD2 3.45Å; F390-Y459 HydrophobicContact CZ-CD2 3.45Å; F390-Y459 VanDerWaalsContact CZ-CD2 3.45Å; F390-Y459 AromaticContact CZ-CE1 3.89Å; F390-Y459 HydrophobicContact CZ-CE1 3.89Å; F390-Y459 AromaticContact CZ-CE2 3.37Å; F390-Y459 HydrophobicContact CZ-CE2 3.37Å; F390-Y459 AromaticContact CZ-CG 3.75Å; F390-Y459 HydrophobicContact CZ-CG 3.75Å; F390-Y459 AromaticContact CZ-CZ 3.58Å; F390-A462 HydrophobicContact CE2-CB 3.99Å | ||
| 391 | R | 98 | Very high | 95.9 | Very high | 142 Ų | 142 | 42.9 Ų | 42.9 | 54% | 0.536 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 115.2 | 179.7 | -66.8 | -174.9 | 179.6 | 176.2 | 2.5 | 110.5 | G389 Y459 | G389-R391 PolarHBondContact O-N 2.85Å; R391-Y459 WeakPolarHBondContact O-CE2 3.36Å |
| 392 | Q | 97.9 | Very high | 94 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 134.2 | 172.7 | 41.8 | 177.8 | -30.2 | 0 | 0 | 110.1 | E383 I384 S386 C447 N448 D474 | E383-Q392 WeakPolarHBondContact CA-O 3.47Å; I384-Q392 HydrophobicContact CB-CG 3.93Å; I384-Q392 HydrophobicContact CG2-CG 4.44Å; I384-Q392 PolarHBondContact N-O 2.93Å; I384-Q392 WeakPolarHBondContact O-CG 3.46Å; I384-Q392 PolarHBondContact O-N 2.94Å; S386-Q392 PolarHBondContact OG-NE2 3Å; Q392-C447 PolarHBondContact OE1-SG 2.83Å; Q392-C447 VanDerWaalsContact OE1-SG 3.41Å; Q392-N448 WeakPolarHBondContact CB-O 3.47Å; Q392-D474 PolarHBondContact NE2-O 3.06Å; Q392-D474 PolarHBondContact OE1-O 3.11Å |
| 393 | V | 98.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 123.5 | 170.2 | 169.6 | 0 | 0 | 0 | 0 | 107.8 | Y296 L297 Y395 N448 Y455 | Y296-V393 HydrophobicContact CD2-CG2 4.26Å; Y296-V393 HydrophobicContact CE1-CG2 4.18Å; Y296-V393 HydrophobicContact CE2-CG2 3.62Å; L297-V393 HydrophobicContact CD2-CB 4.4Å; L297-V393 HydrophobicContact CD2-CG1 3.61Å; L297-V393 HydrophobicContact CD2-CG2 4.07Å; V393-Y395 HydrophobicContact CG1-CE2 4.36Å; V393-N448 WeakPolarHBondContact O-CB 3.44Å; V393-N448 PolarHBondContact O-N 3.48Å; V393-Y455 HydrophobicContact CB-CE1 4.01Å; V393-Y455 WeakPolarHBondContact CB-OH 3.11Å; V393-Y455 HydrophobicContact CG1-CE1 4.46Å; V393-Y455 WeakPolarHBondContact CG1-OH 3.49Å; V393-Y455 HydrophobicContact CG2-CD1 4.4Å; V393-Y455 HydrophobicContact CG2-CE1 3.61Å |
| 394 | C | 98.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 163.5 | -174.9 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | P381 L382 I384 L445 D446 C447 | P381-C394 WeakPolarHBondContact CA-O 3.48Å; L382-C394 HydrophobicContact CD2-CB 4.48Å; L382-C394 HydrophobicContact CG-CB 4.22Å; L382-C394 PolarHBondContact N-O 2.9Å; L382-C394 PolarHBondContact O-N 2.9Å; L382-C394 VanDerWaalsContact O-O 3.05Å; I384-C394 HydrophobicContact CD1-CB 4.15Å; I384-C394 HydrophobicContact CG1-CB 4.36Å; C394-L445 HydrophobicContact CB-CD1 4.02Å; C394-D446 CarbonylContact C-O 3.19Å; C394-D446 VanDerWaalsContact CA-O 3.29Å; C394-D446 WeakPolarHBondContact CA-O 3.22Å; C394-C447 HydrophobicContact CB-CB 4.04Å; C394-C447 WeakPolarHBondContact CB-SG 3.23Å; C394-C447 WeakPolarHBondContact SG-CB 3.06Å; C394-C447 CovalentContact SG-SG 2.04Å; C394-C447 PolarHBondContact SG-SG 2.83Å |
| 395 | Y | 98.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 128.4 | 174.9 | -53.5 | -78.1 | 0 | 0 | 0 | 110.5 | L297 K379 R380 P381 V393 V426 W428 L445 D446 | L297-Y395 WeakPolarHBondContact O-CE1 3.35Å; L297-Y395 PolarHBondContact O-OH 2.89Å; K379-Y395 HydrophobicContact CD-CG 4.47Å; K379-Y395 VanDerWaalsContact CE-CG 3.44Å; K379-Y395 HydrophobicContact CG-CG 4.43Å; R380-Y395 CarbonylContact O-C 3.56Å; R380-Y395 WeakPolarHBondContact O-CA 3.4Å; P381-Y395 HydrophobicContact CB-CD1 3.88Å; P381-Y395 HydrophobicContact CB-CE1 3.83Å; V393-Y395 HydrophobicContact CG1-CE2 4.36Å; Y395-V426 HydrophobicContact CD2-CB 4.34Å; Y395-V426 HydrophobicContact CD2-CG2 3.8Å; Y395-V426 HydrophobicContact CE2-CB 4.39Å; Y395-V426 HydrophobicContact CE2-CG2 3.94Å; Y395-V426 WeakPolarHBondContact CE2-O 3.17Å; Y395-W428 HydrophobicContact CD1-CB 4.15Å; Y395-W428 HydrophobicContact CE1-CB 3.58Å; Y395-W428 HydrophobicContact CE1-CG 4.48Å; Y395-W428 VanDerWaalsContact CZ-N 3.26Å; Y395-W428 PolarHBondContact OH-N 2.93Å; Y395-L445 WeakPolarHBondContact O-CA 3.32Å; Y395-D446 WeakPolarHBondContact CB-OD1 3.3Å; Y395-D446 VanDerWaalsContact CD2-OD1 3.31Å; Y395-D446 WeakPolarHBondContact CD2-OD1 3.43Å; Y395-D446 PolarHBondContact N-O 3.16Å; Y395-D446 PolarHBondContact O-N 2.67Å |
| 396 | L | 98.5 | Very high | 83.2 | Confident | 13 Ų | 13 | 57.4 Ų | 57.4 | 7% | 0.068 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 115.4 | 178.7 | 177.3 | 66.7 | 0 | 0 | 0 | 109.5 | R380 L382 M398 A443 V444 L445 W481 I487 | R380-L396 PolarHBondContact N-O 2.96Å; R380-L396 PolarHBondContact O-N 3.27Å; L382-L396 HydrophobicContact CD2-CB 3.66Å; L396-M398 HydrophobicContact CD1-SD 3.92Å; L396-M398 HydrophobicContact CD2-CG 4.08Å; L396-M398 HydrophobicContact CD2-SD 3.87Å; L396-M398 HydrophobicContact CG-CG 4.05Å; L396-M398 HydrophobicContact CG-SD 3.94Å; L396-A443 HydrophobicContact CD1-CB 4.23Å; L396-V444 WeakPolarHBondContact CA-O 3.48Å; L396-L445 HydrophobicContact CB-CD1 4.36Å; L396-L445 HydrophobicContact CD1-CB 4.46Å; L396-W481 HydrophobicContact CD2-CH2 4.45Å; L396-I487 HydrophobicContact CD1-CD1 4.31Å; L396-I487 HydrophobicContact CD2-CD1 3.59Å |
| 397 | T | 98.1 | Very high | 80.7 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 111.7 | 170.7 | -51 | 0 | 0 | 0 | 0 | 108.3 | A377 K379 A438 A443 V444 | A377-T397 HydrophobicContact CB-CG2 3.56Å; K379-T397 WeakPolarHBondContact CG-OG1 3.25Å; T397-A438 HydrophobicContact CG2-CB 3.73Å; T397-A443 CarbonylContact O-C 3.55Å; T397-A443 VanDerWaalsContact O-CA 3.31Å; T397-A443 WeakPolarHBondContact O-CA 3.42Å; T397-V444 PolarHBondContact N-O 2.94Å; T397-V444 PolarHBondContact O-N 2.95Å |
| 398 | M | 94.7 | Very high | 78.2 | Confident | 71 Ų | 71 | 59.1 Ų | 59.1 | 35% | 0.35 | 34% | 0.344 | S | S | . | . | trans | -90.8 | 142.8 | 179.2 | -70.3 | -62.2 | -69.9 | 0 | 0 | 110.9 | A377 L396 V412 A443 I487 | A377-M398 WeakPolarHBondContact CB-O 3.29Å; L396-M398 HydrophobicContact CD1-SD 3.92Å; L396-M398 HydrophobicContact CD2-CG 4.08Å; L396-M398 HydrophobicContact CD2-SD 3.87Å; L396-M398 HydrophobicContact CG-CG 4.05Å; L396-M398 HydrophobicContact CG-SD 3.94Å; M398-V412 HydrophobicContact CE-CG2 4.1Å; M398-A443 HydrophobicContact SD-CB 3.72Å; M398-I487 HydrophobicContact CE-CG2 4.36Å; M398-I487 HydrophobicContact SD-CG2 4.09Å | ||
| 399 | P | 92.5 | Very high | 76.1 | Confident | 10 Ų | 10 | 59.5 Ų | 59.5 | 7% | 0.065 | 34% | 0.339 | C | S | . | . | trans | -65.2 | 150 | 175.8 | 29.2 | -34.9 | 0 | 0 | 0 | 111.3 | L401 V412 A438 Y442 | P399-L401 HydrophobicContact CB-CD2 4.3Å; P399-L401 HydrophobicContact CG-CD2 3.94Å; P399-L401 HydrophobicContact CG-CG 4.25Å; P399-L401 PolarHBondContact O-N 3.31Å; P399-L401 VanDerWaalsContact O-N 3.07Å; P399-V412 HydrophobicContact CG-CB 4.48Å; P399-V412 HydrophobicContact CG-CG1 4.25Å; P399-V412 HydrophobicContact CG-CG2 4.46Å; P399-A438 WeakPolarHBondContact CA-O 3.5Å; P399-A438 WeakPolarHBondContact CB-O 3.39Å; P399-Y442 WeakPolarHBondContact CD-O 3.13Å | ||
| 400 | L | 85.7 | Confident | 74.7 | Confident | 58 Ų | 58 | 62.9 Ų | 62.9 | 30% | 0.304 | 36% | 0.356 | S | S | . | . | trans | -74.7 | 96.3 | 168.7 | -60.8 | 177.5 | 0 | 0 | 0 | 108.2 | F18 Q375 | F18-L400 HydrophobicContact CD1-CB 4.36Å; F18-L400 HydrophobicContact CE1-CB 4.1Å; Q375-L400 HydrophobicContact CB-CD1 3.73Å; Q375-L400 HydrophobicContact CG-CD1 3.59Å; Q375-L400 VanDerWaalsContact O-CD1 3.22Å; Q375-L400 WeakPolarHBondContact O-CD1 3.31Å | ||
| 401 | L | 71.4 | Confident | 74.2 | Confident | 59 Ų | 59 | 62.4 Ų | 62.4 | 31% | 0.309 | 36% | 0.358 | S | S | . | . | trans | -81.6 | 140 | 176.7 | -61.2 | -179.5 | 0 | 0 | 0 | 110 | P399 E403 V412 | P399-L401 HydrophobicContact CB-CD2 4.3Å; P399-L401 HydrophobicContact CG-CD2 3.94Å; P399-L401 HydrophobicContact CG-CG 4.25Å; P399-L401 PolarHBondContact O-N 3.31Å; P399-L401 VanDerWaalsContact O-N 3.07Å; L401-E403 PolarHBondContact O-N 3.17Å; L401-V412 HydrophobicContact CD1-CG1 3.92Å; L401-V412 HydrophobicContact CD2-CG1 4.4Å | ||
| 402 | P | 56.5 | Low | 74 | Confident | 53 Ų | 53 | 55.9 Ų | 55.9 | 34% | 0.344 | 33% | 0.334 | S | S | . | . | trans | -56.4 | 137.7 | 162.8 | -18.2 | 29.6 | 0 | 0 | 0 | 109 | F18 T404 N405 | F18-P402 HydrophobicContact CE2-CB 4.47Å; P402-T404 PolarHBondContact O-N 3.45Å; P402-N405 PolarHBondContact O-N 3.39Å | ||
| 403 | E | 48.1 | Very low | 73.9 | Confident | 202 Ų | 202 | 56.1 Ų | 56.1 | 94% | 0.944 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -23.4 | 173.3 | -67.9 | -175.4 | 166.2 | 0 | 0 | 112 | L401 | L401-E403 PolarHBondContact O-N 3.17Š|
| 404 | T | 38.7 | Very low | 73.9 | Confident | 116 Ų | 116 | 56.1 Ų | 56.1 | 71% | 0.712 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | 53.7 | -177.8 | 54.6 | 0 | 0 | 0 | 0 | 113 | P402 S406 | P402-T404 PolarHBondContact O-N 3.45Å; T404-S406 VanDerWaalsContact C-N 3.3Å; T404-S406 PolarHBondContact O-N 3Å; T404-S406 VanDerWaalsContact O-N 3.1Å |
| 405 | N | 42.6 | Very low | 73.9 | Confident | 53 Ų | 53 | 56.1 Ų | 56.1 | 28% | 0.283 | 34% | 0.335 | S | S | . | . | trans | -69.5 | 102.8 | 145.5 | -82.5 | -42.5 | 0 | 0 | 0 | 106.4 | P402 T407 G408 R409 | P402-N405 PolarHBondContact O-N 3.39Å; N405-T407 PolarHBondContact O-N 3.04Å; N405-G408 PolarHBondContact O-N 2.74Å; N405-G408 VanDerWaalsContact O-N 3.11Å; N405-R409 PolarHBondContact ND2-NH1 3.43Å | ||
| 406 | S | 37.7 | Very low | 73.9 | Confident | 128 Ų | 128 | 56.3 Ų | 56.3 | 90% | 0.895 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 10.6 | 171.8 | 42 | 0 | 0 | 0 | 0 | 114.2 | T404 | T404-S406 VanDerWaalsContact C-N 3.3Å; T404-S406 PolarHBondContact O-N 3Å; T404-S406 VanDerWaalsContact O-N 3.1Å |
| 407 | T | 45.4 | Very low | 73.9 | Confident | 108 Ų | 108 | 57.1 Ų | 57.1 | 66% | 0.663 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | -3.9 | 174.5 | 58.1 | 0 | 0 | 0 | 0 | 114.6 | N405 R409 | N405-T407 PolarHBondContact O-N 3.04Å; T407-R409 PolarHBondContact O-N 3.44Å |
| 408 | G | 44.9 | Very low | 73.9 | Confident | 75 Ų | 75 | 57.2 Ų | 57.2 | 77% | 0.773 | 34% | 0.339 | S | S | * | . | trans | 59 | 44.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | N405 | N405-G408 PolarHBondContact O-N 2.74Å; N405-G408 VanDerWaalsContact O-N 3.11Å | ||
| 409 | R | 55.9 | Low | 74.1 | Confident | 91 Ų | 91 | 54.6 Ų | 54.6 | 34% | 0.343 | 33% | 0.326 | S | S | . | . | trans | -50.8 | 139.3 | -151.5 | -155.9 | 173.2 | -172.2 | 157.7 | -4.5 | 117.6 | N405 T407 S411 | N405-R409 PolarHBondContact ND2-NH1 3.43Å; T407-R409 PolarHBondContact O-N 3.44Å; R409-S411 PolarHBondContact NE-O 3Å | ||
| 410 | S | 66.8 | Low | 74.4 | Confident | 106 Ų | 106 | 55.1 Ų | 55.1 | 74% | 0.741 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -110.6 | -9.3 | 171.7 | 48.3 | 0 | 0 | 0 | 0 | 116.3 | ||
| 411 | S | 88.9 | Confident | 74.7 | Confident | 26 Ų | 26 | 54 Ų | 54 | 18% | 0.182 | 34% | 0.336 | C | S | . | . | trans | -165.5 | 152.8 | 176.9 | 48.1 | 0 | 0 | 0 | 0 | 114.8 | R409 G486 I487 R492 | R409-S411 PolarHBondContact NE-O 3Å; S411-G486 WeakPolarHBondContact CA-O 3.48Å; S411-G486 VanDerWaalsContact CB-O 3.29Å; S411-G486 WeakPolarHBondContact CB-O 3.26Å; S411-I487 CarbonylContact C-O 3.56Å; S411-I487 WeakPolarHBondContact CA-O 3.47Å; S411-R492 VanDerWaalsContact CB-NH2 3.28Å; S411-R492 PolarHBondContact O-NH1 3.19Å; S411-R492 PolarHBondContact O-NH2 2.86Å; S411-R492 PolarHBondContact OG-NH2 3.34Å | ||
| 412 | V | 93.4 | Very high | 75.8 | Confident | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.03 | 33% | 0.325 | C | S | . | . | trans | -121.8 | 154.9 | -179.4 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | M398 P399 L401 T414 A443 I487 T488 | M398-V412 HydrophobicContact CE-CG2 4.1Å; P399-V412 HydrophobicContact CG-CB 4.48Å; P399-V412 HydrophobicContact CG-CG1 4.25Å; P399-V412 HydrophobicContact CG-CG2 4.46Å; L401-V412 HydrophobicContact CD1-CG1 3.92Å; L401-V412 HydrophobicContact CD2-CG1 4.4Å; V412-T414 PolarHBondContact O-OG1 2.85Å; V412-A443 HydrophobicContact CG2-CB 3.68Å; V412-I487 HydrophobicContact CG2-CG2 4.18Å; V412-I487 WeakPolarHBondContact CG2-O 3.19Å; V412-I487 PolarHBondContact N-O 2.86Å; V412-T488 WeakPolarHBondContact O-CA 3.28Å; V412-T488 VanDerWaalsContact O-CB 3.32Å; V412-T488 WeakPolarHBondContact O-CB 3.36Å; V412-T488 PolarHBondContact O-OG1 3.34Å | ||
| 413 | P | 95.9 | Very high | 77.7 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.032 | 32% | 0.318 | C | S | . | . | trans | -62.8 | 143.3 | 169 | 30.1 | -35.4 | 0 | 0 | 0 | 110.1 | G441 Y442 A443 R492 L642 | P413-G441 WeakPolarHBondContact CG-O 3.38Å; P413-Y442 HydrophobicContact CB-CD1 3.7Å; P413-Y442 HydrophobicContact CB-CE1 3.84Å; P413-Y442 HydrophobicContact CG-CD1 3.84Å; P413-Y442 HydrophobicContact CG-CE1 4.05Å; P413-Y442 HydrophobicContact CG-CG 4.47Å; P413-Y442 CarbonylContact O-C 3.59Å; P413-Y442 VanDerWaalsContact O-CA 3.22Å; P413-Y442 WeakPolarHBondContact O-CA 3.19Å; P413-A443 PolarHBondContact O-N 3.41Å; P413-R492 CarbonylContact C-O 3.3Å; P413-R492 WeakPolarHBondContact CA-O 3.39Å; P413-R492 HydrophobicContact CB-CB 4.12Å; P413-L642 HydrophobicContact CB-CB 4Å | ||
| 414 | T | 97.8 | Very high | 80 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 145.8 | -169.4 | -65.4 | 0 | 0 | 0 | 0 | 111.1 | V412 I416 A443 T488 R492 L493 A494 | V412-T414 PolarHBondContact O-OG1 2.85Å; T414-I416 HydrophobicContact CG2-CD1 4.46Å; T414-A443 CarbonylContact C-O 3.56Å; T414-A443 VanDerWaalsContact CA-O 3.25Å; T414-A443 WeakPolarHBondContact CA-O 3.11Å; T414-A443 HydrophobicContact CG2-CB 4.24Å; T414-T488 HydrophobicContact CG2-CG2 4.48Å; T414-T488 WeakPolarHBondContact OG1-CB 3.15Å; T414-R492 PolarHBondContact N-O 3.09Å; T414-L493 HydrophobicContact CG2-CD1 3.82Å; T414-L493 CarbonylContact O-C 3.57Å; T414-L493 WeakPolarHBondContact O-CA 3.23Å; T414-L493 WeakPolarHBondContact O-CD1 3.5Å; T414-A494 PolarHBondContact O-N 2.72Å |
| 415 | I | 98.7 | Very high | 82.8 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 123.1 | 175.8 | -52.3 | 168.9 | 0 | 0 | 0 | 107.9 | W417 F437 Y442 A443 V444 L445 A494 L638 | I415-W417 HydrophobicContact CG2-CE3 3.78Å; I415-W417 HydrophobicContact CG2-CZ3 4.48Å; I415-W417 PolarHBondContact O-N 3.38Å; I415-F437 HydrophobicContact CD1-CB 3.83Å; I415-F437 HydrophobicContact CD1-CD1 3.76Å; I415-F437 HydrophobicContact CD1-CD2 3.65Å; I415-F437 HydrophobicContact CD1-CE1 4.2Å; I415-F437 HydrophobicContact CD1-CE2 4.07Å; I415-F437 HydrophobicContact CD1-CG 3.48Å; I415-F437 VanDerWaalsContact CD1-CG 3.48Å; I415-F437 HydrophobicContact CD1-CZ 4.34Å; I415-Y442 HydrophobicContact CD1-CD1 4.16Å; I415-Y442 HydrophobicContact CD1-CG 4.06Å; I415-Y442 HydrophobicContact CG1-CD1 4.14Å; I415-Y442 HydrophobicContact CG1-CG 4.41Å; I415-A443 PolarHBondContact N-O 3.08Å; I415-V444 WeakPolarHBondContact O-CA 3.38Å; I415-L445 PolarHBondContact O-N 2.82Å; I415-A494 HydrophobicContact CB-CB 4.48Å; I415-A494 HydrophobicContact CG1-CB 4.16Å; I415-A494 HydrophobicContact CG2-CB 4.32Å; I415-L638 HydrophobicContact CD1-CD1 3.61Å; I415-L638 HydrophobicContact CD1-CD2 4.45Å |
| 416 | I | 98.8 | Very high | 85.5 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 107.7 | 164 | -52.7 | -53.7 | 0 | 0 | 0 | 106.9 | T414 V418 L445 I475 A479 L493 A494 I495 G496 Y516 | T414-I416 HydrophobicContact CG2-CD1 4.46Å; I416-V418 HydrophobicContact CG2-CG2 4.28Å; I416-L445 WeakPolarHBondContact CA-O 3.39Å; I416-L445 HydrophobicContact CD1-CB 3.96Å; I416-L445 HydrophobicContact CD1-CD2 3.92Å; I416-L445 HydrophobicContact CD1-CG 4.33Å; I416-I475 HydrophobicContact CG2-CG2 3.83Å; I416-A479 HydrophobicContact CD1-CB 4.36Å; I416-A479 HydrophobicContact CG1-CB 4.05Å; I416-L493 HydrophobicContact CD1-CD1 3.98Å; I416-L493 HydrophobicContact CG1-CD1 3.81Å; I416-L493 HydrophobicContact CG1-CG 4.46Å; I416-A494 PolarHBondContact N-O 3.16Å; I416-I495 HydrophobicContact CB-CG1 4.48Å; I416-I495 WeakPolarHBondContact O-CA 3.4Å; I416-G496 PolarHBondContact O-N 3.12Å; I416-Y516 HydrophobicContact CG1-CE1 4.23Å |
| 417 | W | 98.8 | Very high | 88.3 | Confident | 29 Ų | 29 | 35.3 Ų | 35.3 | 11% | 0.11 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 106.7 | -175.3 | -163.6 | -102.2 | 0 | 0 | 0 | 110.6 | I415 V433 F437 V444 L445 D446 G496 M522 | I415-W417 HydrophobicContact CG2-CE3 3.78Å; I415-W417 HydrophobicContact CG2-CZ3 4.48Å; I415-W417 PolarHBondContact O-N 3.38Å; W417-V433 HydrophobicContact CD2-CG1 4.23Å; W417-V433 HydrophobicContact CH2-CG1 4.07Å; W417-V433 HydrophobicContact CZ2-CG1 3.62Å; W417-F437 AromaticContact CE3-CE2 4Å; W417-F437 HydrophobicContact CE3-CE2 4Å; W417-F437 HydrophobicContact CH2-CE2 4.04Å; W417-F437 HydrophobicContact CH2-CZ 4.48Å; W417-F437 AromaticContact CZ3-CE2 3.66Å; W417-F437 HydrophobicContact CZ3-CE2 3.66Å; W417-F437 HydrophobicContact CZ3-CZ 4.18Å; W417-V444 HydrophobicContact CB-CG1 3.7Å; W417-V444 HydrophobicContact CG-CG1 4.47Å; W417-L445 PolarHBondContact N-O 2.96Å; W417-D446 HydrophobicContact CB-CB 4.46Å; W417-D446 WeakPolarHBondContact O-CA 3.31Å; W417-D446 WeakPolarHBondContact O-CB 3.37Å; W417-G496 CarbonylContact C-O 3.47Å; W417-G496 VanDerWaalsContact CA-O 3.3Å; W417-G496 WeakPolarHBondContact CA-O 3.48Å; W417-M522 HydrophobicContact CH2-SD 3.95Å; W417-M522 HydrophobicContact CZ2-SD 4.12Å |
| 418 | V | 98.8 | Very high | 90.8 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 125.8 | -172.3 | -170.1 | 0 | 0 | 0 | 0 | 110.2 | I416 F449 I475 I495 G496 G497 G501 | I416-V418 HydrophobicContact CG2-CG2 4.28Å; V418-F449 HydrophobicContact CG1-CD1 4.34Å; V418-F449 HydrophobicContact CG1-CE1 3.81Å; V418-I475 HydrophobicContact CG1-CD1 3.98Å; V418-I475 HydrophobicContact CG1-CG1 4.33Å; V418-I475 HydrophobicContact CG2-CD1 4.08Å; V418-I475 HydrophobicContact CG2-CG1 4.3Å; V418-I475 HydrophobicContact CG2-CG2 3.82Å; V418-I495 HydrophobicContact CG2-CD1 4.24Å; V418-I495 HydrophobicContact CG2-CG1 4.2Å; V418-G496 PolarHBondContact N-O 2.97Å; V418-G497 VanDerWaalsContact O-CA 3.31Å; V418-G497 WeakPolarHBondContact O-CA 3.48Å; V418-G501 WeakPolarHBondContact O-CA 3.37Å |
| 419 | H | 98.6 | Very high | 93.2 | Very high | 16 Ų | 16 | 29 Ų | 29 | 7% | 0.074 | 17% | 0.17 | C | C | . | . | trans | -73.9 | 151.3 | 178.2 | 70.8 | 78 | 0 | 0 | 0 | 112.7 | S424 V426 F449 S452 | H419-S424 PolarHBondContact CE1-O 3.42Å; H419-S424 VanDerWaalsContact CE1-O 3.28Å; H419-V426 HydrophobicContact CB-CG1 3.93Å; H419-F449 AromaticContact CD2-CE1 3.68Å; H419-F449 AromaticContact CE1-CE1 3.44Å; H419-F449 VanDerWaalsContact CE1-CE1 3.44Å; H419-F449 WeakPolarHBondContact CE1-CE1 3.36Å; H419-F449 AromaticContact CE1-CZ 3.35Å; H419-F449 WeakPolarHBondContact CE1-CZ 3.15Å; H419-F449 AromaticContact ND1-CE1 3.94Å; H419-F449 AromaticContact ND1-CZ 3.93Å; H419-F449 AromaticContact NE2-CD1 3.79Å; H419-F449 AromaticContact NE2-CE1 3.25Å; H419-F449 VanDerWaalsContact NE2-CE1 3.25Å; H419-F449 WeakPolarHBondContact NE2-CE1 3.36Å; H419-F449 AromaticContact NE2-CZ 3.65Å; H419-S452 PolarHBondContact NE2-OG 2.81Å | ||
| 420 | G | 97.9 | Very high | 95.2 | Very high | 22 Ų | 22 | 26.3 Ų | 26.3 | 23% | 0.227 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -77.3 | -176.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S424 A498 | G420-S424 WeakPolarHBondContact O-CB 3.37Å; G420-A498 WeakPolarHBondContact CA-O 3.32Å; G420-A498 PolarHBondContact N-O 3.31Å |
| 421 | G | 93.7 | Very high | 96.6 | Very high | 35 Ų | 35 | 23.4 Ų | 23.4 | 36% | 0.361 | 14% | 0.137 | S | C | . | . | S | Bend | trans | 38.6 | 86.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | H423 S424 | G421-H423 CarbonylContact O-C 3.31Å; G421-H423 WeakPolarHBondContact O-CA 3.28Å; G421-H423 PolarHBondContact O-N 3.05Å; G421-S424 WeakPolarHBondContact O-CB 3.42Å; G421-S424 PolarHBondContact O-N 3.3Å |
| 422 | P | 93.3 | Very high | 97 | Very high | 12 Ų | 12 | 24.1 Ų | 24.1 | 8% | 0.078 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -56.8 | -26 | -151 | 24.7 | -34.2 | 0 | 0 | 0 | 114.1 | S424 F449 G451 W467 M471 Y500 | P422-S424 PolarHBondContact O-N 3.22Å; P422-S424 VanDerWaalsContact O-N 3.13Å; P422-F449 HydrophobicContact CB-CE2 4Å; P422-F449 HydrophobicContact CB-CZ 4.31Å; P422-G451 CarbonylContact O-C 3.52Å; P422-W467 HydrophobicContact CG-CH2 4.44Å; P422-W467 HydrophobicContact CG-CZ2 3.45Å; P422-W467 VanDerWaalsContact CG-CZ2 3.45Å; P422-M471 HydrophobicContact CB-CE 3.49Å; P422-M471 VanDerWaalsContact CB-CE 3.49Å; P422-M471 HydrophobicContact CG-CE 4.45Å; P422-Y500 HydrophobicContact CB-CD1 3.98Å; P422-Y500 HydrophobicContact CB-CD2 3.76Å; P422-Y500 HydrophobicContact CB-CE1 4.2Å; P422-Y500 HydrophobicContact CB-CE2 3.96Å; P422-Y500 HydrophobicContact CB-CG 3.76Å; P422-Y500 HydrophobicContact CG-CD2 3.91Å; P422-Y500 HydrophobicContact CG-CE2 4.35Å; P422-Y500 HydrophobicContact CG-CG 4.16Å |
| 423 | H | 96.3 | Very high | 97.2 | Very high | 42 Ų | 42 | 24.8 Ų | 24.8 | 19% | 0.194 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -82.4 | 55.5 | 166 | -47.6 | -49.8 | 0 | 0 | 0 | 112 | G421 G451 V453 L460 F464 R549 | G421-H423 CarbonylContact O-C 3.31Å; G421-H423 WeakPolarHBondContact O-CA 3.28Å; G421-H423 PolarHBondContact O-N 3.05Å; H423-G451 WeakPolarHBondContact CA-O 3.27Å; H423-G451 PolarHBondContact ND1-O 2.9Å; H423-V453 VanDerWaalsContact C-CG1 3.48Å; H423-V453 HydrophobicContact CB-CG1 3.9Å; H423-V453 VanDerWaalsContact O-CG1 3.26Å; H423-V453 WeakPolarHBondContact O-CG1 3.32Å; H423-L460 HydrophobicContact CB-CD1 4.14Å; H423-L460 WeakPolarHBondContact ND1-CD1 3.29Å; H423-F464 AromaticContact CE1-CD1 3.96Å; H423-F464 AromaticContact CE1-CE1 3.78Å; H423-R549 WeakPolarHBondContact NE2-CB 3.09Å; H423-R549 WeakPolarHBondContact NE2-CD 3.28Å; H423-R549 WeakPolarHBondContact NE2-CG 3.35Å |
| 424 | S | 97.1 | Very high | 97.3 | Very high | 54 Ų | 54 | 24.7 Ų | 24.7 | 38% | 0.378 | 14% | 0.144 | S | C | . | . | trans | -137.6 | -169.8 | 173.2 | -169.6 | 0 | 0 | 0 | 0 | 106.9 | H419 G420 G421 P422 S452 V453 | H419-S424 PolarHBondContact CE1-O 3.42Å; H419-S424 VanDerWaalsContact CE1-O 3.28Å; G420-S424 WeakPolarHBondContact O-CB 3.37Å; G421-S424 WeakPolarHBondContact O-CB 3.42Å; G421-S424 PolarHBondContact O-N 3.3Å; P422-S424 PolarHBondContact O-N 3.22Å; P422-S424 VanDerWaalsContact O-N 3.13Å; S424-S452 WeakPolarHBondContact O-CA 3.42Å; S424-S452 WeakPolarHBondContact O-CB 3.37Å; S424-V453 PolarHBondContact O-N 3.07Å; S424-V453 VanDerWaalsContact O-N 3.16Å | ||
| 425 | R | 98 | Very high | 97.3 | Very high | 14 Ų | 14 | 24.9 Ų | 24.9 | 5% | 0.053 | 15% | 0.145 | C | C | . | . | trans | -160.6 | 163.1 | 175.2 | 62.1 | -177.2 | -67.2 | -168.8 | -13.2 | 111.8 | N295 Y427 N448 V453 G454 Y455 | N295-R425 PolarHBondContact O-NH1 3.3Å; N295-R425 VanDerWaalsContact O-NH1 3.13Å; N295-R425 PolarHBondContact O-NH2 2.93Å; R425-Y427 WeakPolarHBondContact CD-OH 3.25Å; R425-Y427 HydrophobicContact CG-CD1 4.5Å; R425-Y427 HydrophobicContact CG-CD2 4.12Å; R425-Y427 HydrophobicContact CG-CE1 4Å; R425-Y427 HydrophobicContact CG-CE2 3.5Å; R425-Y427 VanDerWaalsContact CG-CZ 3.48Å; R425-Y427 VanDerWaalsContact CZ-CE1 3.48Å; R425-N448 VanDerWaalsContact CA-OD1 3.22Å; R425-N448 WeakPolarHBondContact CA-OD1 3.41Å; R425-N448 WeakPolarHBondContact CB-OD1 3.48Å; R425-V453 VanDerWaalsContact CD-O 3.32Å; R425-V453 WeakPolarHBondContact CD-O 3.28Å; R425-V453 HydrophobicContact CG-CG2 4.17Å; R425-G454 PolarHBondContact NH1-O 2.88Å; R425-Y455 VanDerWaalsContact CZ-CE2 3.49Å; R425-Y455 PolarHBondContact NH2-OH 3.21Å | ||
| 426 | V | 98.1 | Very high | 97.2 | Very high | 24 Ų | 24 | 24.9 Ų | 24.9 | 15% | 0.145 | 15% | 0.145 | C | C | . | . | trans | -93.2 | 156.4 | 160 | -71.3 | 0 | 0 | 0 | 0 | 110.5 | Y395 H419 D446 N448 | Y395-V426 HydrophobicContact CD2-CB 4.34Å; Y395-V426 HydrophobicContact CD2-CG2 3.8Å; Y395-V426 HydrophobicContact CE2-CB 4.39Å; Y395-V426 HydrophobicContact CE2-CG2 3.94Å; Y395-V426 WeakPolarHBondContact CE2-O 3.17Å; H419-V426 HydrophobicContact CB-CG1 3.93Å; V426-D446 HydrophobicContact CG1-CB 4.27Å; V426-D446 HydrophobicContact CG2-CB 4.17Å; V426-D446 WeakPolarHBondContact CG2-OD1 3.29Å; V426-N448 WeakPolarHBondContact CG2-OD1 3.41Å; V426-N448 PolarHBondContact N-OD1 3.06Å; V426-N448 PolarHBondContact O-ND2 3.14Å; V426-N448 PolarHBondContact O-OD1 2.7Å | ||
| 427 | Y | 97.7 | Very high | 97.1 | Very high | 72 Ų | 72 | 24.7 Ų | 24.7 | 28% | 0.282 | 14% | 0.144 | S | C | . | . | trans | -130.1 | 160.8 | -179.3 | -65.7 | -84 | 0 | 0 | 0 | 111.3 | D278 N295 K379 R425 S429 | D278-Y427 WeakPolarHBondContact OD1-CE1 3.5Å; D278-Y427 PolarHBondContact OD1-OH 3.24Å; N295-Y427 HydrophobicContact CB-CD1 4.46Å; N295-Y427 HydrophobicContact CB-CE1 4.34Å; N295-Y427 WeakPolarHBondContact ND2-CD1 3.38Å; N295-Y427 WeakPolarHBondContact ND2-CE1 3.34Å; K379-Y427 PolarHBondContact NZ-O 3.1Å; R425-Y427 WeakPolarHBondContact CD-OH 3.25Å; R425-Y427 HydrophobicContact CG-CD1 4.5Å; R425-Y427 HydrophobicContact CG-CD2 4.12Å; R425-Y427 HydrophobicContact CG-CE1 4Å; R425-Y427 HydrophobicContact CG-CE2 3.5Å; R425-Y427 VanDerWaalsContact CG-CZ 3.48Å; R425-Y427 VanDerWaalsContact CZ-CE1 3.48Å; Y427-S429 PolarHBondContact O-N 3.39Å; Y427-S429 VanDerWaalsContact O-N 3.1Å | ||
| 428 | W | 97.4 | Very high | 96.9 | Very high | 9 Ų | 9 | 23.4 Ų | 23.4 | 3% | 0.034 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -71.4 | 100.8 | 164.4 | -174 | 81 | 0 | 0 | 0 | 109.4 | L297 K298 L323 D343 K379 Y395 | L297-W428 VanDerWaalsContact O-CB 3.31Å; L297-W428 WeakPolarHBondContact O-CB 3.45Å; K298-W428 HydrophobicContact CD-CD2 3.89Å; K298-W428 HydrophobicContact CD-CE3 4.1Å; K298-W428 HydrophobicContact CD-CG 4.31Å; K298-W428 HydrophobicContact CD-CZ2 4.38Å; K298-W428 HydrophobicContact CD-CZ3 4.46Å; K298-W428 VanDerWaalsContact CE-CE2 3.41Å; K298-W428 HydrophobicContact CG-CB 4.16Å; K298-W428 HydrophobicContact CG-CD2 3.87Å; K298-W428 HydrophobicContact CG-CE3 4.14Å; K298-W428 HydrophobicContact CG-CG 3.86Å; L323-W428 HydrophobicContact CD1-CE3 3.99Å; L323-W428 HydrophobicContact CD1-CH2 4.48Å; L323-W428 HydrophobicContact CD1-CZ3 3.48Å; L323-W428 VanDerWaalsContact CD1-CZ3 3.48Å; L323-W428 HydrophobicContact CG-CH2 4.42Å; L323-W428 HydrophobicContact CG-CZ3 3.79Å; D343-W428 HydrophobicContact CB-CZ2 4.05Å; D343-W428 WeakPolarHBondContact OD1-CZ2 3.46Å; K379-W428 PolarHBondContact O-NE1 3.37Å; Y395-W428 HydrophobicContact CD1-CB 4.15Å; Y395-W428 HydrophobicContact CE1-CB 3.58Å; Y395-W428 HydrophobicContact CE1-CG 4.48Å; Y395-W428 VanDerWaalsContact CZ-N 3.26Å; Y395-W428 PolarHBondContact OH-N 2.93Å |
| 429 | S | 96.1 | Very high | 96.7 | Very high | 40 Ų | 40 | 24.8 Ų | 24.8 | 28% | 0.28 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -168.6 | 173.6 | 175.7 | 58.6 | 0 | 0 | 0 | 0 | 108.6 | S342 Y427 D431 | S342-S429 CarbonylContact O-C 3.57Å; Y427-S429 PolarHBondContact O-N 3.39Å; Y427-S429 VanDerWaalsContact O-N 3.1Å; S429-D431 PolarHBondContact O-N 3.34Å |
| 430 | Y | 96.9 | Very high | 96.4 | Very high | 36 Ų | 36 | 24 Ų | 24 | 14% | 0.141 | 15% | 0.146 | C | C | . | . | trans | -59.6 | 120.1 | 171.4 | 171.2 | -94 | 0 | 0 | 0 | 110 | S342 P346 L371 L376 P432 Q435 | S342-Y430 WeakPolarHBondContact O-CB 3.21Å; S342-Y430 PolarHBondContact O-N 3.06Å; P346-Y430 HydrophobicContact CB-CD1 3.57Å; P346-Y430 HydrophobicContact CB-CD2 4.01Å; P346-Y430 HydrophobicContact CB-CE1 3.72Å; P346-Y430 HydrophobicContact CB-CE2 4.15Å; P346-Y430 HydrophobicContact CB-CG 3.72Å; L371-Y430 HydrophobicContact CD1-CE2 4.22Å; L371-Y430 VanDerWaalsContact CD1-OH 3.27Å; L371-Y430 WeakPolarHBondContact CD1-OH 3.21Å; L376-Y430 HydrophobicContact CD1-CD2 4.02Å; L376-Y430 HydrophobicContact CD1-CE2 3.74Å; Y430-P432 HydrophobicContact CE1-CB 3.95Å; Y430-P432 HydrophobicContact CE1-CG 4.39Å; Y430-Q435 HydrophobicContact CD2-CG 3.93Å; Y430-Q435 HydrophobicContact CE2-CB 4.28Å; Y430-Q435 HydrophobicContact CE2-CG 3.78Å | ||
| 431 | D | 97.3 | Very high | 96.2 | Very high | 45 Ų | 45 | 23.9 Ų | 23.9 | 24% | 0.241 | 15% | 0.145 | C | C | . | . | trans | -117.6 | 118.2 | 170.7 | 179.9 | 77.7 | 0 | 0 | 0 | 109.3 | S429 V433 S434 Q435 | S429-D431 PolarHBondContact O-N 3.34Å; D431-V433 PolarHBondContact O-N 2.66Å; D431-V433 WeakPolarHBondContact OD2-CA 3.49Å; D431-V433 WeakPolarHBondContact OD2-CB 3.04Å; D431-V433 PolarHBondContact OD2-N 2.83Å; D431-S434 PolarHBondContact O-N 3.24Å; D431-S434 PolarHBondContact OD2-N 3.48Å; D431-S434 PolarHBondContact OD2-OG 3.15Å; D431-Q435 WeakPolarHBondContact O-CB 3.18Å; D431-Q435 VanDerWaalsContact O-CG 3.23Å; D431-Q435 WeakPolarHBondContact O-CG 3.46Å; D431-Q435 PolarHBondContact O-N 3.07Å | ||
| 432 | P | 96.4 | Very high | 96.3 | Very high | 41 Ų | 41 | 22.3 Ų | 22.3 | 27% | 0.266 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -65.7 | -27.7 | -174.7 | 26 | -34 | 0 | 0 | 0 | 112.8 | F27 Y430 F436 | F27-P432 HydrophobicContact CE1-CB 4.1Å; Y430-P432 HydrophobicContact CE1-CB 3.95Å; Y430-P432 HydrophobicContact CE1-CG 4.39Å; P432-F436 WeakPolarHBondContact O-CB 3.34Å; P432-F436 PolarHBondContact O-N 3.31Å |
| 433 | V | 97.6 | Very high | 96.4 | Very high | 19 Ų | 19 | 21.7 Ų | 21.7 | 12% | 0.115 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -75.9 | -47.2 | -178.7 | -179.4 | 0 | 0 | 0 | 0 | 110.5 | F27 W417 D431 Q435 F436 F437 F631 | F27-V433 HydrophobicContact CE1-CG2 4.14Å; F27-V433 HydrophobicContact CZ-CG2 4.41Å; W417-V433 HydrophobicContact CD2-CG1 4.23Å; W417-V433 HydrophobicContact CH2-CG1 4.07Å; W417-V433 HydrophobicContact CZ2-CG1 3.62Å; D431-V433 PolarHBondContact O-N 2.66Å; D431-V433 WeakPolarHBondContact OD2-CA 3.49Å; D431-V433 WeakPolarHBondContact OD2-CB 3.04Å; D431-V433 PolarHBondContact OD2-N 2.83Å; V433-Q435 VanDerWaalsContact C-N 3.34Å; V433-Q435 PolarHBondContact O-N 3.04Å; V433-F436 WeakPolarHBondContact O-CB 3.4Å; V433-F436 PolarHBondContact O-N 3.03Å; V433-F437 HydrophobicContact CG1-CD2 3.67Å; V433-F437 HydrophobicContact CG1-CE2 3.32Å; V433-F437 HydrophobicContact CG1-CZ 4.3Å; V433-F437 VanDerWaalsContact O-CD2 3.28Å; V433-F437 WeakPolarHBondContact O-CD2 3.41Å; V433-F437 PolarHBondContact O-N 3.42Å; V433-F631 HydrophobicContact CG1-CE1 3.98Å; V433-F631 HydrophobicContact CG1-CZ 4.22Å; V433-F631 HydrophobicContact CG2-CE1 4.18Å; V433-F631 HydrophobicContact CG2-CE2 4.47Å; V433-F631 HydrophobicContact CG2-CZ 3.62Å |
| 434 | S | 98 | Very high | 96.5 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.014 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.1 | -42.8 | 174.5 | -61.2 | 0 | 0 | 0 | 0 | 111.3 | D431 A438 V444 D446 | D431-S434 PolarHBondContact O-N 3.24Å; D431-S434 PolarHBondContact OD2-N 3.48Å; D431-S434 PolarHBondContact OD2-OG 3.15Å; S434-A438 WeakPolarHBondContact O-CB 3.28Å; S434-A438 PolarHBondContact O-N 2.81Å; S434-V444 WeakPolarHBondContact OG-CG1 3.42Å; S434-D446 PolarHBondContact OG-OD2 2.65Å |
| 435 | Q | 97.1 | Very high | 96.6 | Very high | 4 Ų | 4 | 17.2 Ų | 17.2 | 2% | 0.019 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.4 | -39.6 | 176.2 | -69.5 | -65.4 | -13.2 | 0 | 0 | 112.7 | F26 D343 A377 Y430 D431 V433 A438 S439 | F26-Q435 HydrophobicContact CD1-CB 4.28Å; F26-Q435 HydrophobicContact CE1-CB 3.67Å; F26-Q435 HydrophobicContact CZ-CB 4.49Å; D343-Q435 PolarHBondContact O-NE2 3.06Å; A377-Q435 PolarHBondContact O-NE2 2.84Å; Y430-Q435 HydrophobicContact CD2-CG 3.93Å; Y430-Q435 HydrophobicContact CE2-CB 4.28Å; Y430-Q435 HydrophobicContact CE2-CG 3.78Å; D431-Q435 WeakPolarHBondContact O-CB 3.18Å; D431-Q435 VanDerWaalsContact O-CG 3.23Å; D431-Q435 WeakPolarHBondContact O-CG 3.46Å; D431-Q435 PolarHBondContact O-N 3.07Å; V433-Q435 VanDerWaalsContact C-N 3.34Å; V433-Q435 PolarHBondContact O-N 3.04Å; Q435-A438 PolarHBondContact O-N 2.74Å; Q435-S439 WeakPolarHBondContact O-CB 3.16Å; Q435-S439 PolarHBondContact O-N 2.89Å; Q435-S439 PolarHBondContact O-OG 3.48Å |
| 436 | F | 96.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.5 | -57.6 | 174.9 | 172.1 | -107.5 | 0 | 0 | 0 | 110.8 | R23 F26 F27 P432 V433 A438 S439 R440 F631 E635 | R23-F436 HydrophobicContact CG-CE2 3.46Å; R23-F436 VanDerWaalsContact CG-CE2 3.46Å; R23-F436 HydrophobicContact CG-CZ 3.93Å; F26-F436 HydrophobicContact CD1-CB 4.46Å; F26-F436 HydrophobicContact CD2-CB 4.18Å; F26-F436 AromaticContact CD2-CD2 3.76Å; F26-F436 HydrophobicContact CD2-CD2 3.76Å; F26-F436 HydrophobicContact CD2-CG 4.49Å; F26-F436 HydrophobicContact CE2-CB 4.4Å; F26-F436 HydrophobicContact CE2-CD2 4.1Å; F26-F436 HydrophobicContact CG-CB 4.19Å; F26-F436 HydrophobicContact CG-CD2 4.43Å; F27-F436 HydrophobicContact CD2-CD2 4.4Å; F27-F436 HydrophobicContact CE2-CB 3.81Å; F27-F436 AromaticContact CE2-CD1 3.87Å; F27-F436 HydrophobicContact CE2-CD1 3.87Å; F27-F436 AromaticContact CE2-CD2 3.53Å; F27-F436 HydrophobicContact CE2-CD2 3.53Å; F27-F436 HydrophobicContact CE2-CE1 4.29Å; F27-F436 AromaticContact CE2-CE2 3.94Å; F27-F436 HydrophobicContact CE2-CE2 3.94Å; F27-F436 AromaticContact CE2-CG 3.46Å; F27-F436 HydrophobicContact CE2-CG 3.46Å; F27-F436 VanDerWaalsContact CE2-CG 3.46Å; F27-F436 HydrophobicContact CE2-CZ 4.31Å; F27-F436 HydrophobicContact CZ-CB 3.66Å; F27-F436 HydrophobicContact CZ-CD1 4.12Å; F27-F436 HydrophobicContact CZ-CD2 4.27Å; F27-F436 AromaticContact CZ-CG 3.78Å; F27-F436 HydrophobicContact CZ-CG 3.78Å; P432-F436 WeakPolarHBondContact O-CB 3.34Å; P432-F436 PolarHBondContact O-N 3.31Å; V433-F436 WeakPolarHBondContact O-CB 3.4Å; V433-F436 PolarHBondContact O-N 3.03Å; F436-A438 VanDerWaalsContact C-N 3.34Å; F436-A438 PolarHBondContact O-N 3.46Å; F436-S439 PolarHBondContact O-N 2.94Å; F436-S439 VanDerWaalsContact O-N 3.14Å; F436-S439 PolarHBondContact O-OG 3.3Å; F436-R440 VanDerWaalsContact CD2-CZ 3.44Å; F436-R440 VanDerWaalsContact CE2-NH2 3.31Å; F436-R440 WeakPolarHBondContact O-CD 3.18Å; F436-R440 PolarHBondContact O-N 3.07Å; F436-F631 AromaticContact CD1-CD1 3.88Å; F436-F631 HydrophobicContact CD1-CD1 3.88Å; F436-F631 HydrophobicContact CD1-CE1 4.48Å; F436-F631 HydrophobicContact CE1-CB 4.04Å; F436-F631 AromaticContact CE1-CD1 3.75Å; F436-F631 HydrophobicContact CE1-CD1 3.75Å; F436-F631 HydrophobicContact CE1-CG 4.28Å; F436-F631 HydrophobicContact CZ-CB 3.98Å; F436-E635 HydrophobicContact CE1-CB 4.3Å; F436-E635 HydrophobicContact CZ-CB 3.93Å; F436-E635 HydrophobicContact CZ-CG 4.4Å |
| 437 | F | 97.1 | Very high | 96.6 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 0% | 0.004 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.5 | -36.8 | -179.9 | -66.5 | -50.2 | 0 | 0 | 0 | 112.6 | I415 W417 V433 S439 R440 G441 Y442 V444 F631 L638 | I415-F437 HydrophobicContact CD1-CB 3.83Å; I415-F437 HydrophobicContact CD1-CD1 3.76Å; I415-F437 HydrophobicContact CD1-CD2 3.65Å; I415-F437 HydrophobicContact CD1-CE1 4.2Å; I415-F437 HydrophobicContact CD1-CE2 4.07Å; I415-F437 HydrophobicContact CD1-CG 3.48Å; I415-F437 VanDerWaalsContact CD1-CG 3.48Å; I415-F437 HydrophobicContact CD1-CZ 4.34Å; W417-F437 AromaticContact CE3-CE2 4Å; W417-F437 HydrophobicContact CE3-CE2 4Å; W417-F437 HydrophobicContact CH2-CE2 4.04Å; W417-F437 HydrophobicContact CH2-CZ 4.48Å; W417-F437 AromaticContact CZ3-CE2 3.66Å; W417-F437 HydrophobicContact CZ3-CE2 3.66Å; W417-F437 HydrophobicContact CZ3-CZ 4.18Å; V433-F437 HydrophobicContact CG1-CD2 3.67Å; V433-F437 HydrophobicContact CG1-CE2 3.32Å; V433-F437 HydrophobicContact CG1-CZ 4.3Å; V433-F437 VanDerWaalsContact O-CD2 3.28Å; V433-F437 WeakPolarHBondContact O-CD2 3.41Å; V433-F437 PolarHBondContact O-N 3.42Å; F437-S439 VanDerWaalsContact C-N 3.3Å; F437-S439 PolarHBondContact O-N 2.98Å; F437-R440 CarbonylContact O-C 3.47Å; F437-R440 WeakPolarHBondContact O-CA 2.99Å; F437-R440 WeakPolarHBondContact O-CB 3.39Å; F437-R440 PolarHBondContact O-N 2.95Å; F437-G441 PolarHBondContact O-N 2.88Å; F437-Y442 HydrophobicContact CB-CD2 4.38Å; F437-Y442 WeakPolarHBondContact O-CB 3.35Å; F437-Y442 WeakPolarHBondContact O-CD2 3.49Å; F437-Y442 PolarHBondContact O-N 2.97Å; F437-Y442 VanDerWaalsContact O-N 3.13Å; F437-V444 HydrophobicContact CB-CG2 3.68Å; F437-V444 HydrophobicContact CD2-CG2 4.39Å; F437-F631 HydrophobicContact CE2-CE1 4.42Å; F437-F631 HydrophobicContact CZ-CD1 4.28Å; F437-F631 HydrophobicContact CZ-CE1 4.07Å; F437-L638 HydrophobicContact CD1-CD1 3.78Å; F437-L638 HydrophobicContact CE1-CD1 3.35Å; F437-L638 HydrophobicContact CZ-CD1 3.96Å |
| 438 | A | 95.4 | Very high | 96.7 | Very high | 2 Ų | 2 | 12.2 Ų | 12.2 | 2% | 0.017 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.9 | -38.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A377 T397 P399 S434 Q435 F436 R440 G441 Y442 | A377-A438 HydrophobicContact CB-CB 3.58Å; T397-A438 HydrophobicContact CG2-CB 3.73Å; P399-A438 WeakPolarHBondContact CA-O 3.5Å; P399-A438 WeakPolarHBondContact CB-O 3.39Å; S434-A438 WeakPolarHBondContact O-CB 3.28Å; S434-A438 PolarHBondContact O-N 2.81Å; Q435-A438 PolarHBondContact O-N 2.74Å; F436-A438 VanDerWaalsContact C-N 3.34Å; F436-A438 PolarHBondContact O-N 3.46Å; A438-R440 PolarHBondContact O-N 3.15Å; A438-G441 PolarHBondContact O-N 3.06Å; A438-G441 VanDerWaalsContact O-N 3.15Å; A438-Y442 VanDerWaalsContact CA-O 3.27Å; A438-Y442 WeakPolarHBondContact CA-O 3.26Å |
| 439 | S | 93.9 | Very high | 96.8 | Very high | 30 Ų | 30 | 11.8 Ų | 11.8 | 21% | 0.21 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -67.2 | -17.7 | 174.4 | 74 | 0 | 0 | 0 | 0 | 113.7 | L20 Q435 F436 F437 | L20-S439 WeakPolarHBondContact CD1-O 3.38Å; Q435-S439 WeakPolarHBondContact O-CB 3.16Å; Q435-S439 PolarHBondContact O-N 2.89Å; Q435-S439 PolarHBondContact O-OG 3.48Å; F436-S439 PolarHBondContact O-N 2.94Å; F436-S439 VanDerWaalsContact O-N 3.14Å; F436-S439 PolarHBondContact O-OG 3.3Å; F437-S439 VanDerWaalsContact C-N 3.3Å; F437-S439 PolarHBondContact O-N 2.98Å |
| 440 | R | 93.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | 3.9 | 174.7 | -81.3 | 80.7 | -173.6 | 133 | 9.2 | 114 | L20 I21 F436 F437 A438 Y442 E635 T645 E647 | L20-R440 HydrophobicContact CD1-CG 4.11Å; I21-R440 PolarHBondContact O-NH1 3.34Å; I21-R440 PolarHBondContact O-NH2 2.88Å; F436-R440 VanDerWaalsContact CD2-CZ 3.44Å; F436-R440 VanDerWaalsContact CE2-NH2 3.31Å; F436-R440 WeakPolarHBondContact O-CD 3.18Å; F436-R440 PolarHBondContact O-N 3.07Å; F437-R440 CarbonylContact O-C 3.47Å; F437-R440 WeakPolarHBondContact O-CA 2.99Å; F437-R440 WeakPolarHBondContact O-CB 3.39Å; F437-R440 PolarHBondContact O-N 2.95Å; A438-R440 PolarHBondContact O-N 3.15Å; R440-Y442 HydrophobicContact CB-CD2 3.62Å; R440-Y442 HydrophobicContact CB-CE2 3.64Å; R440-E635 HydrophobicContact CG-CG 4.15Å; R440-E635 WeakPolarHBondContact CG-OE1 3.4Å; R440-E635 IonicContact CZ-OE1 2.69Å; R440-E635 IonicContact CZ-OE2 3.6Å; R440-E635 VanDerWaalsContact NE-CD 3.28Å; R440-E635 IonicContact NE-OE1 3.36Å; R440-E635 PolarHBondContact NE-OE1 3.48Å; R440-E635 IonicContact NE-OE2 2.75Å; R440-E635 IonicContact NH2-OE1 3.7Å; R440-E635 PolarHBondContact NH2-OE1 3.19Å; R440-E635 VanDerWaalsContact NH2-OE1 3.13Å; R440-E635 IonicContact NH2-OE2 3.42Å; R440-E635 PolarHBondContact NH2-OE2 3.39Å; R440-T645 VanDerWaalsContact C-OG1 3.27Å; R440-T645 WeakPolarHBondContact CA-OG1 3.3Å; R440-T645 WeakPolarHBondContact CB-O 3.47Å; R440-T645 WeakPolarHBondContact CG-O 3.41Å; R440-T645 PolarHBondContact O-N 2.97Å; R440-T645 PolarHBondContact O-OG1 3.44Å; R440-E647 IonicContact NH2-OE2 2.88Å |
| 441 | G | 92.4 | Very high | 96.9 | Very high | 20 Ų | 20 | 8.5 Ų | 8.5 | 21% | 0.206 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.5 | 9.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | P413 F437 A438 | P413-G441 WeakPolarHBondContact CG-O 3.38Å; F437-G441 PolarHBondContact O-N 2.88Å; A438-G441 PolarHBondContact O-N 3.06Å; A438-G441 VanDerWaalsContact O-N 3.15Å |
| 442 | Y | 95.5 | Very high | 97 | Very high | 1 Ų | 1 | 6.4 Ų | 6.4 | 0% | 0.004 | 4% | 0.044 | C | C | . | . | trans | -91.6 | 140.9 | 175.9 | -59.7 | -88.2 | 0 | 0 | 0 | 111.5 | P399 P413 I415 F437 A438 R440 L638 H639 L642 G644 | P399-Y442 WeakPolarHBondContact CD-O 3.13Å; P413-Y442 HydrophobicContact CB-CD1 3.7Å; P413-Y442 HydrophobicContact CB-CE1 3.84Å; P413-Y442 HydrophobicContact CG-CD1 3.84Å; P413-Y442 HydrophobicContact CG-CE1 4.05Å; P413-Y442 HydrophobicContact CG-CG 4.47Å; P413-Y442 CarbonylContact O-C 3.59Å; P413-Y442 VanDerWaalsContact O-CA 3.22Å; P413-Y442 WeakPolarHBondContact O-CA 3.19Å; I415-Y442 HydrophobicContact CD1-CD1 4.16Å; I415-Y442 HydrophobicContact CD1-CG 4.06Å; I415-Y442 HydrophobicContact CG1-CD1 4.14Å; I415-Y442 HydrophobicContact CG1-CG 4.41Å; F437-Y442 HydrophobicContact CB-CD2 4.38Å; F437-Y442 WeakPolarHBondContact O-CB 3.35Å; F437-Y442 WeakPolarHBondContact O-CD2 3.49Å; F437-Y442 PolarHBondContact O-N 2.97Å; F437-Y442 VanDerWaalsContact O-N 3.13Å; A438-Y442 VanDerWaalsContact CA-O 3.27Å; A438-Y442 WeakPolarHBondContact CA-O 3.26Å; R440-Y442 HydrophobicContact CB-CD2 3.62Å; R440-Y442 HydrophobicContact CB-CE2 3.64Å; Y442-L638 HydrophobicContact CE1-CB 4.08Å; Y442-L638 HydrophobicContact CE2-CB 4.39Å; Y442-L638 VanDerWaalsContact OH-CB 3.31Å; Y442-L638 WeakPolarHBondContact OH-CB 3.46Å; Y442-L638 PolarHBondContact OH-O 2.9Å; Y442-H639 PolarHBondContact OH-N 2.83Å; Y442-L642 HydrophobicContact CD1-CD1 4.33Å; Y442-L642 HydrophobicContact CE1-CB 3.97Å; Y442-L642 HydrophobicContact CE1-CD1 3.8Å; Y442-L642 HydrophobicContact CE1-CG 4.45Å; Y442-G644 VanDerWaalsContact OH-CA 3.3Å; Y442-G644 WeakPolarHBondContact OH-CA 3.44Å; Y442-G644 PolarHBondContact OH-N 2.96Å | ||
| 443 | A | 96.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 4% | 0.04 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 145.1 | 157.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | L396 T397 M398 V412 P413 T414 I415 I487 | L396-A443 HydrophobicContact CD1-CB 4.23Å; T397-A443 CarbonylContact O-C 3.55Å; T397-A443 VanDerWaalsContact O-CA 3.31Å; T397-A443 WeakPolarHBondContact O-CA 3.42Å; M398-A443 HydrophobicContact SD-CB 3.72Å; V412-A443 HydrophobicContact CG2-CB 3.68Å; P413-A443 PolarHBondContact O-N 3.41Å; T414-A443 CarbonylContact C-O 3.56Å; T414-A443 VanDerWaalsContact CA-O 3.25Å; T414-A443 WeakPolarHBondContact CA-O 3.11Å; T414-A443 HydrophobicContact CG2-CB 4.24Å; I415-A443 PolarHBondContact N-O 3.08Å; A443-I487 HydrophobicContact CB-CG2 4.01Å |
| 444 | V | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 4% | 0.041 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 123.1 | 174.6 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | L396 T397 I415 W417 S434 F437 | L396-V444 WeakPolarHBondContact CA-O 3.48Å; T397-V444 PolarHBondContact N-O 2.94Å; T397-V444 PolarHBondContact O-N 2.95Å; I415-V444 WeakPolarHBondContact O-CA 3.38Å; W417-V444 HydrophobicContact CB-CG1 3.7Å; W417-V444 HydrophobicContact CG-CG1 4.47Å; S434-V444 WeakPolarHBondContact OG-CG1 3.42Å; F437-V444 HydrophobicContact CB-CG2 3.68Å; F437-V444 HydrophobicContact CD2-CG2 4.39Å |
| 445 | L | 98.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 5.6 Ų | 5.6 | 1% | 0.005 | 4% | 0.04 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 109 | 175.2 | -178.8 | 60.8 | 0 | 0 | 0 | 108.5 | I384 C394 Y395 L396 I415 I416 W417 A478 W481 A482 | I384-L445 HydrophobicContact CD1-CD1 4.15Å; I384-L445 HydrophobicContact CD1-CD2 3.96Å; C394-L445 HydrophobicContact CB-CD1 4.02Å; Y395-L445 WeakPolarHBondContact O-CA 3.32Å; L396-L445 HydrophobicContact CB-CD1 4.36Å; L396-L445 HydrophobicContact CD1-CB 4.46Å; I415-L445 PolarHBondContact O-N 2.82Å; I416-L445 WeakPolarHBondContact CA-O 3.39Å; I416-L445 HydrophobicContact CD1-CB 3.96Å; I416-L445 HydrophobicContact CD1-CD2 3.92Å; I416-L445 HydrophobicContact CD1-CG 4.33Å; W417-L445 PolarHBondContact N-O 2.96Å; L445-A478 HydrophobicContact CD2-CB 4.11Å; L445-A478 WeakPolarHBondContact CD2-O 3.2Å; L445-W481 HydrophobicContact CD2-CE3 4.06Å; L445-W481 HydrophobicContact CD2-CZ3 4.35Å; L445-A482 HydrophobicContact CD2-CB 4.26Å |
| 446 | D | 97.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 5.4 Ų | 5.4 | 1% | 0.005 | 4% | 0.04 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 126.3 | 174.4 | 52.4 | 91.8 | 0 | 0 | 0 | 109.9 | K379 C394 Y395 W417 V426 S434 | K379-D446 VanDerWaalsContact CE-OD1 3.3Å; K379-D446 WeakPolarHBondContact CE-OD1 3.43Å; K379-D446 IonicContact NZ-OD1 2.66Å; K379-D446 PolarHBondContact NZ-OD1 3.28Å; K379-D446 IonicContact NZ-OD2 3.16Å; K379-D446 PolarHBondContact NZ-OD2 3.13Å; C394-D446 CarbonylContact C-O 3.19Å; C394-D446 VanDerWaalsContact CA-O 3.29Å; C394-D446 WeakPolarHBondContact CA-O 3.22Å; Y395-D446 WeakPolarHBondContact CB-OD1 3.3Å; Y395-D446 VanDerWaalsContact CD2-OD1 3.31Å; Y395-D446 WeakPolarHBondContact CD2-OD1 3.43Å; Y395-D446 PolarHBondContact N-O 3.16Å; Y395-D446 PolarHBondContact O-N 2.67Å; W417-D446 HydrophobicContact CB-CB 4.46Å; W417-D446 WeakPolarHBondContact O-CA 3.31Å; W417-D446 WeakPolarHBondContact O-CB 3.37Å; V426-D446 HydrophobicContact CG1-CB 4.27Å; V426-D446 HydrophobicContact CG2-CB 4.17Å; V426-D446 WeakPolarHBondContact CG2-OD1 3.29Å; S434-D446 PolarHBondContact OG-OD2 2.65Å |
| 447 | C | 98.7 | Very high | 97.1 | Very high | 4 Ų | 4 | 8 Ų | 8 | 3% | 0.027 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 137.7 | -175.5 | -71.6 | 0 | 0 | 0 | 0 | 111.2 | Q392 C394 F449 | Q392-C447 PolarHBondContact OE1-SG 2.83Å; Q392-C447 VanDerWaalsContact OE1-SG 3.41Å; C394-C447 HydrophobicContact CB-CB 4.04Å; C394-C447 WeakPolarHBondContact CB-SG 3.23Å; C394-C447 WeakPolarHBondContact SG-CB 3.06Å; C394-C447 CovalentContact SG-SG 2.04Å; C394-C447 PolarHBondContact SG-SG 2.83Å; C447-F449 PolarHBondContact O-N 3.18Å |
| 448 | N | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 107.2 | 162.7 | -65 | -40.5 | 0 | 0 | 0 | 106.8 | Q392 V393 R425 V426 S452 Y455 Y459 | Q392-N448 WeakPolarHBondContact CB-O 3.47Å; V393-N448 WeakPolarHBondContact O-CB 3.44Å; V393-N448 PolarHBondContact O-N 3.48Å; R425-N448 VanDerWaalsContact CA-OD1 3.22Å; R425-N448 WeakPolarHBondContact CA-OD1 3.41Å; R425-N448 WeakPolarHBondContact CB-OD1 3.48Å; V426-N448 WeakPolarHBondContact CG2-OD1 3.41Å; V426-N448 PolarHBondContact N-OD1 3.06Å; V426-N448 PolarHBondContact O-ND2 3.14Å; V426-N448 PolarHBondContact O-OD1 2.7Å; N448-S452 WeakPolarHBondContact CA-OG 3.44Å; N448-Y455 HydrophobicContact CB-CE2 3.71Å; N448-Y455 PolarHBondContact ND2-OH 3.02Å; N448-Y459 PolarHBondContact O-OH 3.35Å |
| 449 | F | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 7% | 0.074 | C | C | . | . | trans | -84.8 | 164.7 | 175.8 | 48.3 | -90.1 | 0 | 0 | 0 | 110.3 | V418 H419 P422 C447 G451 S452 Y459 M471 D474 I475 Y500 | V418-F449 HydrophobicContact CG1-CD1 4.34Å; V418-F449 HydrophobicContact CG1-CE1 3.81Å; H419-F449 AromaticContact CD2-CE1 3.68Å; H419-F449 AromaticContact CE1-CE1 3.44Å; H419-F449 VanDerWaalsContact CE1-CE1 3.44Å; H419-F449 WeakPolarHBondContact CE1-CE1 3.36Å; H419-F449 AromaticContact CE1-CZ 3.35Å; H419-F449 WeakPolarHBondContact CE1-CZ 3.15Å; H419-F449 AromaticContact ND1-CE1 3.94Å; H419-F449 AromaticContact ND1-CZ 3.93Å; H419-F449 AromaticContact NE2-CD1 3.79Å; H419-F449 AromaticContact NE2-CE1 3.25Å; H419-F449 VanDerWaalsContact NE2-CE1 3.25Å; H419-F449 WeakPolarHBondContact NE2-CE1 3.36Å; H419-F449 AromaticContact NE2-CZ 3.65Å; P422-F449 HydrophobicContact CB-CE2 4Å; P422-F449 HydrophobicContact CB-CZ 4.31Å; C447-F449 PolarHBondContact O-N 3.18Å; F449-G451 PolarHBondContact O-N 2.81Å; F449-S452 PolarHBondContact N-OG 3.22Å; F449-S452 VanDerWaalsContact O-CB 3.3Å; F449-S452 WeakPolarHBondContact O-CB 3.35Å; F449-S452 PolarHBondContact O-N 2.67Å; F449-S452 PolarHBondContact O-OG 3.49Å; F449-Y459 VanDerWaalsContact O-CE1 3.29Å; F449-Y459 WeakPolarHBondContact O-CE1 3.12Å; F449-M471 HydrophobicContact CD2-CB 4.19Å; F449-M471 HydrophobicContact CD2-CE 3.72Å; F449-M471 HydrophobicContact CD2-CG 4.49Å; F449-M471 HydrophobicContact CE2-CE 3.41Å; F449-M471 VanDerWaalsContact CE2-CE 3.41Å; F449-D474 HydrophobicContact CB-CB 3.75Å; F449-I475 HydrophobicContact CB-CD1 4.08Å; F449-I475 HydrophobicContact CD1-CD1 3.59Å; F449-I475 HydrophobicContact CD1-CG1 4.43Å; F449-I475 HydrophobicContact CE1-CD1 4.43Å; F449-I475 HydrophobicContact CG-CD1 4.12Å; F449-Y500 HydrophobicContact CD2-CE1 4.33Å; F449-Y500 HydrophobicContact CE1-CD1 4.25Å; F449-Y500 AromaticContact CE1-CE1 3.88Å; F449-Y500 HydrophobicContact CE1-CE1 3.88Å; F449-Y500 HydrophobicContact CE2-CD1 4.13Å; F449-Y500 AromaticContact CE2-CE1 3.48Å; F449-Y500 HydrophobicContact CE2-CE1 3.48Å; F449-Y500 VanDerWaalsContact CE2-CE1 3.48Å; F449-Y500 AromaticContact CZ-CD1 3.51Å; F449-Y500 HydrophobicContact CZ-CD1 3.51Å; F449-Y500 AromaticContact CZ-CE1 3.2Å; F449-Y500 HydrophobicContact CZ-CE1 3.2Å | ||
| 450 | R | 98.6 | Very high | 97.5 | Very high | 8 Ų | 8 | 10.7 Ų | 10.7 | 3% | 0.03 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 135.3 | 176.6 | 74.9 | -170.6 | 67.4 | -158.5 | 2.5 | 111 | D388 F390 A462 K470 M471 D474 | D388-R450 VanDerWaalsContact CG-NH2 3.32Å; D388-R450 IonicContact OD1-CZ 3.71Å; D388-R450 IonicContact OD1-NH1 3.63Å; D388-R450 IonicContact OD1-NH2 3.49Å; D388-R450 PolarHBondContact OD1-NH2 2.85Å; D388-R450 IonicContact OD2-CZ 2.74Å; D388-R450 IonicContact OD2-NH1 3.62Å; D388-R450 PolarHBondContact OD2-NH1 2.94Å; D388-R450 IonicContact OD2-NH2 2.7Å; D388-R450 PolarHBondContact OD2-NH2 3.21Å; D388-R450 VanDerWaalsContact OD2-NH2 3.16Å; F390-R450 VanDerWaalsContact CB-NH2 3.33Å; F390-R450 HydrophobicContact CD1-CB 4.05Å; F390-R450 HydrophobicContact CD2-CB 4.35Å; F390-R450 HydrophobicContact CE1-CB 3.51Å; F390-R450 HydrophobicContact CE2-CB 3.84Å; F390-R450 HydrophobicContact CG-CB 4.44Å; F390-R450 HydrophobicContact CZ-CB 3.38Å; R450-A462 HydrophobicContact CB-CB 3.95Å; R450-A462 VanDerWaalsContact CD-O 3.25Å; R450-A462 WeakPolarHBondContact CD-O 3.27Å; R450-A462 HydrophobicContact CG-CB 4.48Å; R450-K470 PolarHBondContact NE-O 3.28Å; R450-M471 HydrophobicContact CG-CG 3.95Å; R450-M471 WeakPolarHBondContact O-CG 3.18Å; R450-D474 VanDerWaalsContact CB-OD2 3.26Å; R450-D474 WeakPolarHBondContact CB-OD2 3.48Å; R450-D474 WeakPolarHBondContact CG-OD2 3.39Å; R450-D474 IonicContact CZ-OD1 3.03Å; R450-D474 IonicContact CZ-OD2 3.51Å; R450-D474 PolarHBondContact N-OD2 3.16Å; R450-D474 VanDerWaalsContact NE-CG 3.33Å; R450-D474 IonicContact NE-OD1 3.88Å; R450-D474 PolarHBondContact NE-OD1 2.79Å; R450-D474 VanDerWaalsContact NE-OD1 3.16Å; R450-D474 IonicContact NE-OD2 2.88Å; R450-D474 PolarHBondContact NE-OD2 2.75Å; R450-D474 IonicContact NH2-OD1 3.97Å; R450-D474 PolarHBondContact NH2-OD1 2.88Å; R450-D474 IonicContact NH2-OD2 3.84Å |
| 451 | G | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99.2 | -15.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115 | P422 H423 F449 Y459 L460 | P422-G451 CarbonylContact O-C 3.52Å; H423-G451 WeakPolarHBondContact CA-O 3.27Å; H423-G451 PolarHBondContact ND1-O 2.9Å; F449-G451 PolarHBondContact O-N 2.81Å; G451-Y459 PolarHBondContact N-O 2.76Å; G451-L460 WeakPolarHBondContact CA-O 3.21Å; G451-L460 VanDerWaalsContact O-CD1 3.24Å; G451-L460 WeakPolarHBondContact O-CD1 3.49Å |
| 452 | S | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | trans | -61.8 | 152.3 | 168.7 | -53.4 | 0 | 0 | 0 | 0 | 111 | H419 S424 N448 F449 Y459 | H419-S452 PolarHBondContact NE2-OG 2.81Å; S424-S452 WeakPolarHBondContact O-CA 3.42Å; S424-S452 WeakPolarHBondContact O-CB 3.37Å; N448-S452 WeakPolarHBondContact CA-OG 3.44Å; F449-S452 PolarHBondContact N-OG 3.22Å; F449-S452 VanDerWaalsContact O-CB 3.3Å; F449-S452 WeakPolarHBondContact O-CB 3.35Å; F449-S452 PolarHBondContact O-N 2.67Å; F449-S452 PolarHBondContact O-OG 3.49Å; S452-Y459 WeakPolarHBondContact O-CD1 3.46Å | ||
| 453 | V | 98.1 | Very high | 98.1 | Very high | 31 Ų | 31 | 16.7 Ų | 16.7 | 19% | 0.188 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -85.3 | 171.5 | -179.6 | -64.8 | 0 | 0 | 0 | 0 | 112 | V229 H423 S424 R425 Y455 L460 | V229-V453 HydrophobicContact CG1-CG1 3.74Å; H423-V453 VanDerWaalsContact C-CG1 3.48Å; H423-V453 HydrophobicContact CB-CG1 3.9Å; H423-V453 VanDerWaalsContact O-CG1 3.26Å; H423-V453 WeakPolarHBondContact O-CG1 3.32Å; S424-V453 PolarHBondContact O-N 3.07Å; S424-V453 VanDerWaalsContact O-N 3.16Å; R425-V453 VanDerWaalsContact CD-O 3.32Å; R425-V453 WeakPolarHBondContact CD-O 3.28Å; R425-V453 HydrophobicContact CG-CG2 4.17Å; V453-Y455 VanDerWaalsContact C-N 3.32Å; V453-Y455 VanDerWaalsContact O-CD2 3.23Å; V453-Y455 WeakPolarHBondContact O-CD2 3.47Å; V453-Y455 PolarHBondContact O-N 2.65Å; V453-L460 HydrophobicContact CG1-CD1 4.24Å |
| 454 | G | 97.8 | Very high | 98.2 | Very high | 12 Ų | 12 | 18.2 Ų | 18.2 | 12% | 0.124 | 10% | 0.099 | C | C | . | . | S | Bend | trans | 82.5 | 0.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | S275 D276 R425 | S275-G454 WeakPolarHBondContact CA-O 3.38Å; S275-G454 VanDerWaalsContact CB-O 3.23Å; S275-G454 WeakPolarHBondContact CB-O 3.45Å; D276-G454 PolarHBondContact N-O 2.99Å; D276-G454 WeakPolarHBondContact OD2-CA 3.32Å; D276-G454 PolarHBondContact OD2-N 2.6Å; R425-G454 PolarHBondContact NH1-O 2.88Å |
| 455 | Y | 97.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.008 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -117.2 | 17.4 | -179.7 | -63.3 | -73.5 | 0 | 0 | 0 | 112.9 | K253 D276 Y296 V393 R425 N448 V453 Y459 | K253-Y455 VanDerWaalsContact CE-O 3.28Å; K253-Y455 WeakPolarHBondContact CE-O 3.39Å; K253-Y455 PolarHBondContact NZ-O 2.8Å; D276-Y455 PolarHBondContact OD2-N 3Å; Y296-Y455 AromaticContact CD2-CD1 3.58Å; Y296-Y455 HydrophobicContact CD2-CD1 3.58Å; Y296-Y455 AromaticContact CD2-CE1 3.5Å; Y296-Y455 HydrophobicContact CD2-CE1 3.5Å; Y296-Y455 AromaticContact CE2-CD1 3.65Å; Y296-Y455 HydrophobicContact CE2-CD1 3.65Å; Y296-Y455 AromaticContact CE2-CE1 3.73Å; Y296-Y455 HydrophobicContact CE2-CE1 3.73Å; Y296-Y455 HydrophobicContact CG-CE1 4.45Å; Y296-Y455 PolarHBondContact O-OH 2.99Å; V393-Y455 HydrophobicContact CB-CE1 4.01Å; V393-Y455 WeakPolarHBondContact CB-OH 3.11Å; V393-Y455 HydrophobicContact CG1-CE1 4.46Å; V393-Y455 WeakPolarHBondContact CG1-OH 3.49Å; V393-Y455 HydrophobicContact CG2-CD1 4.4Å; V393-Y455 HydrophobicContact CG2-CE1 3.61Å; R425-Y455 VanDerWaalsContact CZ-CE2 3.49Å; R425-Y455 PolarHBondContact NH2-OH 3.21Å; N448-Y455 HydrophobicContact CB-CE2 3.71Å; N448-Y455 PolarHBondContact ND2-OH 3.02Å; V453-Y455 VanDerWaalsContact C-N 3.32Å; V453-Y455 VanDerWaalsContact O-CD2 3.23Å; V453-Y455 WeakPolarHBondContact O-CD2 3.47Å; V453-Y455 PolarHBondContact O-N 2.65Å; Y455-Y459 VanDerWaalsContact CB-CD2 3.48Å; Y455-Y459 VanDerWaalsContact CB-CG 3.4Å; Y455-Y459 HydrophobicContact CD2-CD1 4.15Å; Y455-Y459 AromaticContact CD2-CE1 3.93Å; Y455-Y459 HydrophobicContact CD2-CE1 3.93Å; Y455-Y459 HydrophobicContact CD2-CE2 4.34Å; Y455-Y459 HydrophobicContact CD2-CG 4.46Å; Y455-Y459 HydrophobicContact CG-CD1 4.41Å; Y455-Y459 HydrophobicContact CG-CD2 4.15Å; Y455-Y459 HydrophobicContact CG-CE1 4.45Å; Y455-Y459 HydrophobicContact CG-CE2 4.18Å; Y455-Y459 HydrophobicContact CG-CG 4.26Å; Y455-Y459 WeakPolarHBondContact O-CB 3.16Å |
| 456 | G | 97.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | trans | 94.5 | 166.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | D252 D276 S458 Y459 L460 | D252-G456 CarbonylContact O-C 3.54Å; D252-G456 WeakPolarHBondContact O-CA 3.21Å; D276-G456 VanDerWaalsContact OD1-CA 3.29Å; D276-G456 WeakPolarHBondContact OD1-CA 3.36Å; D276-G456 PolarHBondContact OD1-N 3.39Å; D276-G456 PolarHBondContact OD2-N 2.86Å; D276-G456 VanDerWaalsContact OD2-N 3.1Å; G456-S458 PolarHBondContact O-N 2.76Å; G456-Y459 WeakPolarHBondContact O-CB 3.49Å; G456-Y459 PolarHBondContact O-N 2.76Å; G456-L460 PolarHBondContact O-N 3.06Å; G456-L460 VanDerWaalsContact O-N 3.13Å | ||
| 457 | R | 97.2 | Very high | 98.1 | Very high | 53 Ų | 53 | 22 Ų | 22 | 20% | 0.2 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.8 | -41.2 | -176.2 | -66.9 | 175.8 | 68 | 161.9 | 0.4 | 112.8 | S224 E226 S248 R251 D252 Y459 L460 K461 | S224-R457 PolarHBondContact OG-NH2 2.88Å; E226-R457 HydrophobicContact CG-CB 4.1Å; E226-R457 HydrophobicContact CG-CG 4.38Å; E226-R457 IonicContact OE1-CZ 2.76Å; E226-R457 IonicContact OE1-NE 2.67Å; E226-R457 IonicContact OE1-NH2 3.15Å; E226-R457 PolarHBondContact OE1-NH2 3.14Å; S248-R457 WeakPolarHBondContact O-CD 3.46Å; S248-R457 PolarHBondContact O-NH1 3.25Å; S248-R457 WeakPolarHBondContact OG-CD 3.45Å; R251-R457 VanDerWaalsContact O-CD 3.32Å; R251-R457 WeakPolarHBondContact O-CD 3.39Å; D252-R457 PolarHBondContact O-N 3.13Å; D252-R457 PolarHBondContact OD1-N 2.84Å; D252-R457 VanDerWaalsContact OD1-N 3.12Å; R457-Y459 VanDerWaalsContact C-N 3.34Å; R457-L460 PolarHBondContact O-N 3.46Å; R457-K461 WeakPolarHBondContact O-CB 3.49Å; R457-K461 PolarHBondContact O-N 3.13Å |
| 458 | S | 97.1 | Very high | 98 | Very high | 68 Ų | 68 | 22.2 Ų | 22.2 | 48% | 0.476 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -62 | -43.1 | 179.6 | 58.3 | 0 | 0 | 0 | 0 | 111.3 | D252 G456 A462 | D252-S458 VanDerWaalsContact CG-OG 3.25Å; D252-S458 VanDerWaalsContact OD1-CB 3.24Å; D252-S458 WeakPolarHBondContact OD1-CB 3.29Å; D252-S458 PolarHBondContact OD1-N 3.47Å; D252-S458 PolarHBondContact OD1-OG 3.31Å; D252-S458 PolarHBondContact OD2-OG 2.76Å; G456-S458 PolarHBondContact O-N 2.76Å; S458-A462 VanDerWaalsContact O-CB 3.28Å; S458-A462 WeakPolarHBondContact O-CB 3.23Å; S458-A462 PolarHBondContact O-N 3.31Å |
| 459 | Y | 98.2 | Very high | 98 | Very high | 18 Ų | 18 | 22.7 Ų | 22.7 | 7% | 0.071 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.4 | -48.2 | 177.2 | -160.4 | -74.2 | 0 | 0 | 0 | 112.1 | F390 R391 N448 F449 G451 S452 Y455 G456 R457 | F390-Y459 HydrophobicContact CE1-CD2 4.14Å; F390-Y459 HydrophobicContact CE1-CE1 4.11Å; F390-Y459 AromaticContact CE1-CE2 3.56Å; F390-Y459 HydrophobicContact CE1-CE2 3.56Å; F390-Y459 AromaticContact CE1-CZ 3.53Å; F390-Y459 HydrophobicContact CE2-CD2 4.22Å; F390-Y459 HydrophobicContact CE2-CE2 4.43Å; F390-Y459 AromaticContact CZ-CD1 3.98Å; F390-Y459 HydrophobicContact CZ-CD1 3.98Å; F390-Y459 AromaticContact CZ-CD2 3.45Å; F390-Y459 HydrophobicContact CZ-CD2 3.45Å; F390-Y459 VanDerWaalsContact CZ-CD2 3.45Å; F390-Y459 AromaticContact CZ-CE1 3.89Å; F390-Y459 HydrophobicContact CZ-CE1 3.89Å; F390-Y459 AromaticContact CZ-CE2 3.37Å; F390-Y459 HydrophobicContact CZ-CE2 3.37Å; F390-Y459 AromaticContact CZ-CG 3.75Å; F390-Y459 HydrophobicContact CZ-CG 3.75Å; F390-Y459 AromaticContact CZ-CZ 3.58Å; R391-Y459 WeakPolarHBondContact O-CE2 3.36Å; N448-Y459 PolarHBondContact O-OH 3.35Å; F449-Y459 VanDerWaalsContact O-CE1 3.29Å; F449-Y459 WeakPolarHBondContact O-CE1 3.12Å; G451-Y459 PolarHBondContact N-O 2.76Å; S452-Y459 WeakPolarHBondContact O-CD1 3.46Å; Y455-Y459 VanDerWaalsContact CB-CD2 3.48Å; Y455-Y459 VanDerWaalsContact CB-CG 3.4Å; Y455-Y459 HydrophobicContact CD2-CD1 4.15Å; Y455-Y459 AromaticContact CD2-CE1 3.93Å; Y455-Y459 HydrophobicContact CD2-CE1 3.93Å; Y455-Y459 HydrophobicContact CD2-CE2 4.34Å; Y455-Y459 HydrophobicContact CD2-CG 4.46Å; Y455-Y459 HydrophobicContact CG-CD1 4.41Å; Y455-Y459 HydrophobicContact CG-CD2 4.15Å; Y455-Y459 HydrophobicContact CG-CE1 4.45Å; Y455-Y459 HydrophobicContact CG-CE2 4.18Å; Y455-Y459 HydrophobicContact CG-CG 4.26Å; Y455-Y459 WeakPolarHBondContact O-CB 3.16Å; G456-Y459 WeakPolarHBondContact O-CB 3.49Å; G456-Y459 PolarHBondContact O-N 2.76Å; R457-Y459 VanDerWaalsContact C-N 3.34Å |
| 460 | L | 98.1 | Very high | 98 | Very high | 4 Ų | 4 | 26.9 Ų | 26.9 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.3 | -48.8 | 176.7 | 172.5 | 63.2 | 0 | 0 | 0 | 111.9 | E226 V229 H423 G451 V453 G456 R457 A462 G463 F464 | E226-L460 HydrophobicContact CB-CD2 4.02Å; E226-L460 HydrophobicContact CB-CG 4.42Å; V229-L460 HydrophobicContact CB-CD2 3.5Å; V229-L460 HydrophobicContact CG1-CD2 3.71Å; V229-L460 HydrophobicContact CG2-CD2 3.8Å; H423-L460 HydrophobicContact CB-CD1 4.14Å; H423-L460 WeakPolarHBondContact ND1-CD1 3.29Å; G451-L460 WeakPolarHBondContact CA-O 3.21Å; G451-L460 VanDerWaalsContact O-CD1 3.24Å; G451-L460 WeakPolarHBondContact O-CD1 3.49Å; V453-L460 HydrophobicContact CG1-CD1 4.24Å; G456-L460 PolarHBondContact O-N 3.06Å; G456-L460 VanDerWaalsContact O-N 3.13Å; R457-L460 PolarHBondContact O-N 3.46Å; L460-A462 PolarHBondContact O-N 2.84Å; L460-G463 PolarHBondContact O-N 2.86Å; L460-F464 HydrophobicContact CD1-CE1 4.09Å; L460-F464 HydrophobicContact CG-CE1 3.97Å; L460-F464 HydrophobicContact CG-CZ 4.21Å |
| 461 | K | 97.8 | Very high | 98 | Very high | 114 Ų | 114 | 26.5 Ų | 26.5 | 50% | 0.496 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -66.9 | -27.9 | -177.1 | -171.8 | 175.1 | -176.8 | 171.7 | 0 | 112.3 | E226 R457 G463 F464 | E226-K461 HydrophobicContact CB-CB 4.24Å; E226-K461 HydrophobicContact CG-CB 4.3Å; E226-K461 HydrophobicContact CG-CD 4.25Å; R457-K461 WeakPolarHBondContact O-CB 3.49Å; R457-K461 PolarHBondContact O-N 3.13Å; K461-G463 PolarHBondContact O-N 3.38Å; K461-G463 VanDerWaalsContact O-N 3.15Å; K461-F464 HydrophobicContact CG-CD2 4.03Å; K461-F464 HydrophobicContact CG-CE2 4.29Å; K461-F464 WeakPolarHBondContact O-CB 3.3Å; K461-F464 PolarHBondContact O-N 2.51Å |
| 462 | A | 98.3 | Very high | 98 | Very high | 33 Ų | 33 | 26.7 Ų | 26.7 | 27% | 0.273 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -16.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F390 R450 S458 L460 | F390-A462 HydrophobicContact CE2-CB 3.99Å; R450-A462 HydrophobicContact CB-CB 3.95Å; R450-A462 VanDerWaalsContact CD-O 3.25Å; R450-A462 WeakPolarHBondContact CD-O 3.27Å; R450-A462 HydrophobicContact CG-CB 4.48Å; S458-A462 VanDerWaalsContact O-CB 3.28Å; S458-A462 WeakPolarHBondContact O-CB 3.23Å; S458-A462 PolarHBondContact O-N 3.31Å; L460-A462 PolarHBondContact O-N 2.84Å |
| 463 | G | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -5.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | L460 K461 G465 E466 | L460-G463 PolarHBondContact O-N 2.86Å; K461-G463 PolarHBondContact O-N 3.38Å; K461-G463 VanDerWaalsContact O-N 3.15Å; G463-G465 PolarHBondContact O-N 2.67Å; G463-E466 PolarHBondContact O-N 3.44Å |
| 464 | F | 98.1 | Very high | 98.1 | Very high | 33 Ų | 33 | 27.6 Ų | 27.6 | 15% | 0.145 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | 126.1 | -178 | -69.1 | 3.6 | 0 | 0 | 0 | 110.6 | V225 E226 H423 L460 K461 E466 I548 R549 | V225-F464 HydrophobicContact CB-CE2 4Å; V225-F464 HydrophobicContact CB-CZ 4.42Å; V225-F464 HydrophobicContact CG1-CE2 3.67Å; V225-F464 HydrophobicContact CG1-CZ 3.72Å; E226-F464 HydrophobicContact CB-CE2 3.88Å; E226-F464 HydrophobicContact CB-CZ 3.73Å; H423-F464 AromaticContact CE1-CD1 3.96Å; H423-F464 AromaticContact CE1-CE1 3.78Å; L460-F464 HydrophobicContact CD1-CE1 4.09Å; L460-F464 HydrophobicContact CG-CE1 3.97Å; L460-F464 HydrophobicContact CG-CZ 4.21Å; K461-F464 HydrophobicContact CG-CD2 4.03Å; K461-F464 HydrophobicContact CG-CE2 4.29Å; K461-F464 WeakPolarHBondContact O-CB 3.3Å; K461-F464 PolarHBondContact O-N 2.51Å; F464-E466 PolarHBondContact O-N 3.4Å; F464-I548 HydrophobicContact CD2-CG2 4.23Å; F464-R549 WeakPolarHBondContact CA-O 3.46Å; F464-R549 HydrophobicContact CD1-CB 4.35Å; F464-R549 HydrophobicContact CD1-CG 3.93Å; F464-R549 HydrophobicContact CE1-CG 3.65Å; F464-R549 HydrophobicContact CZ-CG 4Å |
| 465 | G | 97.7 | Very high | 98.1 | Very high | 14 Ų | 14 | 27.1 Ų | 27.1 | 14% | 0.144 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 9.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | G463 R549 F562 | G463-G465 PolarHBondContact O-N 2.67Å; G465-R549 PolarHBondContact N-O 3.33Å; G465-F562 WeakPolarHBondContact O-CZ 3.49Å |
| 466 | E | 98.3 | Very high | 98.2 | Very high | 41 Ų | 41 | 27.3 Ų | 27.3 | 19% | 0.192 | 14% | 0.144 | C | C | . | . | trans | -110.9 | 16.7 | -171.9 | -67.2 | -68.4 | 178.8 | 0 | 0 | 113.5 | G463 F464 G468 G469 K470 M471 | G463-E466 PolarHBondContact O-N 3.44Å; F464-E466 PolarHBondContact O-N 3.4Å; E466-G468 PolarHBondContact O-N 2.88Å; E466-G469 CarbonylContact O-C 3.54Å; E466-G469 WeakPolarHBondContact O-CA 3.45Å; E466-G469 PolarHBondContact O-N 2.82Å; E466-K470 HydrophobicContact CB-CB 4.27Å; E466-K470 HydrophobicContact CG-CB 4.16Å; E466-K470 WeakPolarHBondContact OE2-CB 3.41Å; E466-K470 WeakPolarHBondContact OE2-CG 3.35Å; E466-K470 PolarHBondContact OE2-N 2.83Å; E466-M471 HydrophobicContact CB-CG 3.71Å; E466-M471 HydrophobicContact CB-SD 4.11Å; E466-M471 WeakPolarHBondContact O-CB 3.22Å; E466-M471 WeakPolarHBondContact O-CG 3.44Å; E466-M471 PolarHBondContact O-N 3.03Å | ||
| 467 | W | 98 | Very high | 98.2 | Very high | 26 Ų | 26 | 27.6 Ų | 27.6 | 10% | 0.098 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 125.4 | 169.7 | -79.5 | 54.2 | 0 | 0 | 0 | 110.1 | P422 G469 M471 Y500 Y503 P525 L528 L550 R566 | P422-W467 HydrophobicContact CG-CH2 4.44Å; P422-W467 HydrophobicContact CG-CZ2 3.45Å; P422-W467 VanDerWaalsContact CG-CZ2 3.45Å; W467-G469 PolarHBondContact O-N 2.83Å; W467-M471 HydrophobicContact CG-SD 4.46Å; W467-Y500 AromaticContact CD2-CD2 3.82Å; W467-Y500 HydrophobicContact CD2-CD2 3.82Å; W467-Y500 AromaticContact CD2-CE2 3.59Å; W467-Y500 HydrophobicContact CD2-CE2 3.59Å; W467-Y500 AromaticContact CE2-CD2 3.77Å; W467-Y500 AromaticContact CE2-CE2 3.82Å; W467-Y500 AromaticContact CE3-CD2 3.73Å; W467-Y500 HydrophobicContact CE3-CD2 3.73Å; W467-Y500 AromaticContact CE3-CE2 3.79Å; W467-Y500 HydrophobicContact CE3-CE2 3.79Å; W467-Y500 HydrophobicContact CG-CE2 4Å; W467-Y500 AromaticContact CH2-CD2 3.68Å; W467-Y500 HydrophobicContact CH2-CD2 3.68Å; W467-Y500 HydrophobicContact CH2-CE2 4.46Å; W467-Y500 AromaticContact CZ2-CD2 3.75Å; W467-Y500 HydrophobicContact CZ2-CD2 3.75Å; W467-Y500 HydrophobicContact CZ2-CE2 4.29Å; W467-Y500 AromaticContact CZ3-CD2 3.66Å; W467-Y500 HydrophobicContact CZ3-CD2 3.66Å; W467-Y500 HydrophobicContact CZ3-CE2 4.22Å; W467-Y503 HydrophobicContact CB-CE1 4.27Å; W467-Y503 AromaticContact CE3-CD1 3.96Å; W467-Y503 HydrophobicContact CE3-CD1 3.96Å; W467-Y503 HydrophobicContact CE3-CD2 4.27Å; W467-Y503 AromaticContact CE3-CE1 3.87Å; W467-Y503 HydrophobicContact CE3-CE1 3.87Å; W467-Y503 HydrophobicContact CE3-CE2 4.14Å; W467-Y503 HydrophobicContact CE3-CG 4.18Å; W467-Y503 AromaticContact CE3-CZ 3.97Å; W467-Y503 HydrophobicContact CZ3-CD1 4.39Å; W467-Y503 HydrophobicContact CZ3-CD2 4.44Å; W467-Y503 HydrophobicContact CZ3-CG 4.27Å; W467-Y503 PolarHBondContact O-OH 2.69Å; W467-P525 HydrophobicContact CZ3-CG 4.07Å; W467-L528 HydrophobicContact CB-CD1 4.37Å; W467-L528 HydrophobicContact CE3-CD1 4.15Å; W467-L528 HydrophobicContact CE3-CD2 3.64Å; W467-L528 HydrophobicContact CZ3-CD2 3.63Å; W467-L550 HydrophobicContact CD2-CD2 3.79Å; W467-L550 HydrophobicContact CE3-CD2 4.22Å; W467-L550 HydrophobicContact CG-CD2 4.19Å; W467-L550 HydrophobicContact CH2-CD2 4.26Å; W467-L550 HydrophobicContact CZ2-CD2 3.83Å; W467-L550 HydrophobicContact CZ3-CD2 4.45Å; W467-R566 WeakPolarHBondContact O-CD 3.17Å; W467-R566 WeakPolarHBondContact O-CG 3.47Å |
| 468 | G | 97.5 | Very high | 98.3 | Very high | 9 Ų | 9 | 25.1 Ų | 25.1 | 9% | 0.093 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 11.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E466 Y503 R566 | E466-G468 PolarHBondContact O-N 2.88Å; G468-Y503 VanDerWaalsContact CA-OH 3.28Å; G468-Y503 WeakPolarHBondContact CA-OH 3.43Å; G468-Y503 PolarHBondContact N-OH 3.01Å; G468-R566 PolarHBondContact O-NH1 2.98Å |
| 469 | G | 98 | Very high | 98.4 | Very high | 9 Ų | 9 | 21.9 Ų | 21.9 | 9% | 0.093 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -126 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | E466 W467 M471 Q472 D473 R566 | E466-G469 CarbonylContact O-C 3.54Å; E466-G469 WeakPolarHBondContact O-CA 3.45Å; E466-G469 PolarHBondContact O-N 2.82Å; W467-G469 PolarHBondContact O-N 2.83Å; G469-M471 PolarHBondContact O-N 2.92Å; G469-M471 VanDerWaalsContact O-N 3.15Å; G469-Q472 WeakPolarHBondContact O-CA 3.44Å; G469-Q472 WeakPolarHBondContact O-CB 3.16Å; G469-Q472 PolarHBondContact O-N 2.81Å; G469-D473 PolarHBondContact O-N 3.2Å; G469-R566 VanDerWaalsContact CA-NH1 3.29Å |
| 470 | K | 98.5 | Very high | 98.4 | Very high | 88 Ų | 88 | 23.7 Ų | 23.7 | 38% | 0.383 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -62.8 | -25 | -174.7 | -66.2 | -179.1 | -173.9 | -179.9 | 0 | 114.5 | R450 E466 Q472 D473 D474 | R450-K470 PolarHBondContact NE-O 3.28Å; E466-K470 HydrophobicContact CB-CB 4.27Å; E466-K470 HydrophobicContact CG-CB 4.16Å; E466-K470 WeakPolarHBondContact OE2-CB 3.41Å; E466-K470 WeakPolarHBondContact OE2-CG 3.35Å; E466-K470 PolarHBondContact OE2-N 2.83Å; K470-Q472 VanDerWaalsContact C-N 3.28Å; K470-Q472 PolarHBondContact O-N 3.06Å; K470-D473 WeakPolarHBondContact O-CB 3.3Å; K470-D473 PolarHBondContact O-N 2.84Å; K470-D474 PolarHBondContact O-N 3.48Å |
| 471 | M | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64 | -37.7 | 172.1 | -57.6 | 169.4 | 78.1 | 0 | 0 | 111 | P422 F449 R450 E466 W467 G469 D474 I475 Y500 | P422-M471 HydrophobicContact CB-CE 3.49Å; P422-M471 VanDerWaalsContact CB-CE 3.49Å; P422-M471 HydrophobicContact CG-CE 4.45Å; F449-M471 HydrophobicContact CD2-CB 4.19Å; F449-M471 HydrophobicContact CD2-CE 3.72Å; F449-M471 HydrophobicContact CD2-CG 4.49Å; F449-M471 HydrophobicContact CE2-CE 3.41Å; F449-M471 VanDerWaalsContact CE2-CE 3.41Å; R450-M471 HydrophobicContact CG-CG 3.95Å; R450-M471 WeakPolarHBondContact O-CG 3.18Å; E466-M471 HydrophobicContact CB-CG 3.71Å; E466-M471 HydrophobicContact CB-SD 4.11Å; E466-M471 WeakPolarHBondContact O-CB 3.22Å; E466-M471 WeakPolarHBondContact O-CG 3.44Å; E466-M471 PolarHBondContact O-N 3.03Å; W467-M471 HydrophobicContact CG-SD 4.46Å; G469-M471 PolarHBondContact O-N 2.92Å; G469-M471 VanDerWaalsContact O-N 3.15Å; M471-D474 PolarHBondContact O-N 3.32Å; M471-I475 PolarHBondContact O-N 2.64Å; M471-Y500 WeakPolarHBondContact CB-OH 3.48Å; M471-Y500 HydrophobicContact CE-CE1 4.36Å; M471-Y500 HydrophobicContact CE-CE2 4.09Å; M471-Y500 WeakPolarHBondContact CE-OH 3.49Å |
| 472 | Q | 98.8 | Very high | 98.4 | Very high | 5 Ų | 5 | 20.6 Ų | 20.6 | 2% | 0.023 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -74.7 | -31.1 | 174.7 | -169.6 | 63.7 | 28.4 | 0 | 0 | 111.9 | G469 K470 D474 I475 T476 S504 C507 | G469-Q472 WeakPolarHBondContact O-CA 3.44Å; G469-Q472 WeakPolarHBondContact O-CB 3.16Å; G469-Q472 PolarHBondContact O-N 2.81Å; K470-Q472 VanDerWaalsContact C-N 3.28Å; K470-Q472 PolarHBondContact O-N 3.06Å; Q472-D474 VanDerWaalsContact C-N 3.3Å; Q472-I475 PolarHBondContact O-N 3.47Å; Q472-T476 WeakPolarHBondContact O-CB 3.32Å; Q472-T476 PolarHBondContact O-N 3.27Å; Q472-T476 PolarHBondContact O-OG1 2.88Å; Q472-S504 PolarHBondContact NE2-O 2.81Å; Q472-S504 PolarHBondContact OE1-O 3.26Å; Q472-S504 PolarHBondContact OE1-OG 2.82Å; Q472-C507 HydrophobicContact CG-CB 3.97Å |
| 473 | D | 98.7 | Very high | 98.3 | Very high | 50 Ų | 50 | 20.7 Ų | 20.7 | 27% | 0.267 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -61.1 | -40.1 | 171.4 | -72.5 | -34.6 | 0 | 0 | 0 | 111.2 | R387 G469 K470 I475 T476 D477 | R387-D473 IonicContact CZ-OD1 2.94Å; R387-D473 IonicContact NH1-OD1 3.19Å; R387-D473 PolarHBondContact NH1-OD1 3.19Å; R387-D473 IonicContact NH1-OD2 3.84Å; R387-D473 IonicContact NH2-OD1 3.68Å; G469-D473 PolarHBondContact O-N 3.2Å; K470-D473 WeakPolarHBondContact O-CB 3.3Å; K470-D473 PolarHBondContact O-N 2.84Å; D473-I475 PolarHBondContact O-N 3.07Å; D473-T476 CarbonylContact O-C 3.47Å; D473-T476 WeakPolarHBondContact O-CB 3.48Å; D473-T476 PolarHBondContact O-N 3.03Å; D473-D477 WeakPolarHBondContact O-CB 3.33Å; D473-D477 PolarHBondContact O-N 3.32Å |
| 474 | D | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.2 | -46.1 | 175.2 | -67 | -22.8 | 0 | 0 | 0 | 111.9 | S386 Q392 F449 R450 K470 M471 Q472 T476 D477 A478 | S386-D474 VanDerWaalsContact CB-OD1 3.23Å; S386-D474 WeakPolarHBondContact CB-OD1 3.3Å; S386-D474 PolarHBondContact OG-OD1 3.28Å; Q392-D474 PolarHBondContact NE2-O 3.06Å; Q392-D474 PolarHBondContact OE1-O 3.11Å; F449-D474 HydrophobicContact CB-CB 3.75Å; R450-D474 VanDerWaalsContact CB-OD2 3.26Å; R450-D474 WeakPolarHBondContact CB-OD2 3.48Å; R450-D474 WeakPolarHBondContact CG-OD2 3.39Å; R450-D474 IonicContact CZ-OD1 3.03Å; R450-D474 IonicContact CZ-OD2 3.51Å; R450-D474 PolarHBondContact N-OD2 3.16Å; R450-D474 VanDerWaalsContact NE-CG 3.33Å; R450-D474 IonicContact NE-OD1 3.88Å; R450-D474 PolarHBondContact NE-OD1 2.79Å; R450-D474 VanDerWaalsContact NE-OD1 3.16Å; R450-D474 IonicContact NE-OD2 2.88Å; R450-D474 PolarHBondContact NE-OD2 2.75Å; R450-D474 IonicContact NH2-OD1 3.97Å; R450-D474 PolarHBondContact NH2-OD1 2.88Å; R450-D474 IonicContact NH2-OD2 3.84Å; K470-D474 PolarHBondContact O-N 3.48Å; M471-D474 PolarHBondContact O-N 3.32Å; Q472-D474 VanDerWaalsContact C-N 3.3Å; D474-T476 VanDerWaalsContact C-N 3.33Å; D474-T476 PolarHBondContact O-N 3.09Å; D474-D477 PolarHBondContact O-N 3.48Å; D474-A478 PolarHBondContact O-N 3.29Å |
| 475 | I | 98.8 | Very high | 98 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.4 | -42.4 | 176.2 | -59 | -51.9 | 0 | 0 | 0 | 111 | I416 V418 F449 M471 Q472 D473 D477 A478 A479 I495 | I416-I475 HydrophobicContact CG2-CG2 3.83Å; V418-I475 HydrophobicContact CG1-CD1 3.98Å; V418-I475 HydrophobicContact CG1-CG1 4.33Å; V418-I475 HydrophobicContact CG2-CD1 4.08Å; V418-I475 HydrophobicContact CG2-CG1 4.3Å; V418-I475 HydrophobicContact CG2-CG2 3.82Å; F449-I475 HydrophobicContact CB-CD1 4.08Å; F449-I475 HydrophobicContact CD1-CD1 3.59Å; F449-I475 HydrophobicContact CD1-CG1 4.43Å; F449-I475 HydrophobicContact CE1-CD1 4.43Å; F449-I475 HydrophobicContact CG-CD1 4.12Å; M471-I475 PolarHBondContact O-N 2.64Å; Q472-I475 PolarHBondContact O-N 3.47Å; D473-I475 PolarHBondContact O-N 3.07Å; I475-D477 VanDerWaalsContact C-N 3.32Å; I475-D477 PolarHBondContact O-N 2.82Å; I475-A478 WeakPolarHBondContact O-CB 3.49Å; I475-A478 PolarHBondContact O-N 2.69Å; I475-A479 PolarHBondContact O-N 3.4Å; I475-I495 HydrophobicContact CG2-CD1 3.97Å |
| 476 | T | 98.8 | Very high | 97.8 | Very high | 5 Ų | 5 | 30.8 Ų | 30.8 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.6 | -40 | 176.3 | -59.4 | 0 | 0 | 0 | 0 | 111.2 | Q472 D473 D474 A479 L480 T512 L515 | Q472-T476 WeakPolarHBondContact O-CB 3.32Å; Q472-T476 PolarHBondContact O-N 3.27Å; Q472-T476 PolarHBondContact O-OG1 2.88Å; D473-T476 CarbonylContact O-C 3.47Å; D473-T476 WeakPolarHBondContact O-CB 3.48Å; D473-T476 PolarHBondContact O-N 3.03Å; D474-T476 VanDerWaalsContact C-N 3.33Å; D474-T476 PolarHBondContact O-N 3.09Å; T476-A479 WeakPolarHBondContact O-CB 3.39Å; T476-A479 PolarHBondContact O-N 3.25Å; T476-L480 HydrophobicContact CG2-CD1 4.11Å; T476-L480 HydrophobicContact CG2-CG 4.48Å; T476-L480 WeakPolarHBondContact O-CB 3.46Å; T476-L480 VanDerWaalsContact O-CG 3.29Å; T476-L480 WeakPolarHBondContact O-CG 3.41Å; T476-L480 PolarHBondContact O-N 3.12Å; T476-T512 HydrophobicContact CG2-CG2 3.87Å; T476-L515 HydrophobicContact CG2-CD1 3.72Å |
| 477 | D | 98.9 | Very high | 97.6 | Very high | 8 Ų | 8 | 30 Ų | 30 | 4% | 0.043 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -72.4 | -30.7 | -179.7 | -67.5 | -24.8 | 0 | 0 | 0 | 111.9 | S386 R387 D473 D474 I475 W481 | S386-D477 VanDerWaalsContact CA-OD2 3.29Å; S386-D477 WeakPolarHBondContact CA-OD2 3.41Å; S386-D477 WeakPolarHBondContact CB-OD2 3.16Å; R387-D477 WeakPolarHBondContact CB-OD2 3.25Å; R387-D477 WeakPolarHBondContact CG-OD2 3.47Å; R387-D477 IonicContact CZ-OD1 2.69Å; R387-D477 PolarHBondContact N-OD2 2.94Å; R387-D477 IonicContact NE-OD1 3.59Å; R387-D477 PolarHBondContact NE-OD1 2.83Å; R387-D477 IonicContact NE-OD2 3.97Å; R387-D477 PolarHBondContact NE-OD2 2.94Å; R387-D477 IonicContact NH2-OD1 3.8Å; R387-D477 PolarHBondContact NH2-OD1 2.75Å; R387-D477 IonicContact NH2-OD2 2.69Å; D473-D477 WeakPolarHBondContact O-CB 3.33Å; D473-D477 PolarHBondContact O-N 3.32Å; D474-D477 PolarHBondContact O-N 3.48Å; I475-D477 VanDerWaalsContact C-N 3.32Å; I475-D477 PolarHBondContact O-N 2.82Å; D477-W481 VanDerWaalsContact O-CB 3.31Å; D477-W481 WeakPolarHBondContact O-CB 3.03Å; D477-W481 PolarHBondContact O-N 3.28Å |
| 478 | A | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.1 | -44.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I384 L445 D474 I475 W481 A482 | I384-A478 HydrophobicContact CD1-CB 4.32Å; L445-A478 HydrophobicContact CD2-CB 4.11Å; L445-A478 WeakPolarHBondContact CD2-O 3.2Å; D474-A478 PolarHBondContact O-N 3.29Å; I475-A478 WeakPolarHBondContact O-CB 3.49Å; I475-A478 PolarHBondContact O-N 2.69Å; A478-W481 WeakPolarHBondContact O-CB 3.38Å; A478-W481 PolarHBondContact O-N 3.36Å; A478-A482 PolarHBondContact O-N 2.88Å |
| 479 | A | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.9 | -49.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I416 I475 T476 W481 A482 L483 L493 L515 Y516 | I416-A479 HydrophobicContact CD1-CB 4.36Å; I416-A479 HydrophobicContact CG1-CB 4.05Å; I475-A479 PolarHBondContact O-N 3.4Å; T476-A479 WeakPolarHBondContact O-CB 3.39Å; T476-A479 PolarHBondContact O-N 3.25Å; A479-W481 VanDerWaalsContact C-N 3.3Å; A479-W481 PolarHBondContact O-N 2.76Å; A479-A482 PolarHBondContact O-N 2.96Å; A479-L483 WeakPolarHBondContact O-CG 3.43Å; A479-L483 PolarHBondContact O-N 3Å; A479-L483 VanDerWaalsContact O-N 3.14Å; A479-L493 HydrophobicContact CB-CD2 3.91Å; A479-L515 HydrophobicContact CB-CD1 4.25Å; A479-Y516 HydrophobicContact CB-CE1 4.21Å |
| 480 | L | 98.5 | Very high | 96.7 | Very high | 56 Ų | 56 | 33.3 Ų | 33.3 | 29% | 0.293 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -63.3 | -34.8 | 177.3 | -69.6 | 170 | 0 | 0 | 0 | 112.2 | T476 L483 R484 L515 | T476-L480 HydrophobicContact CG2-CD1 4.11Å; T476-L480 HydrophobicContact CG2-CG 4.48Å; T476-L480 WeakPolarHBondContact O-CB 3.46Å; T476-L480 VanDerWaalsContact O-CG 3.29Å; T476-L480 WeakPolarHBondContact O-CG 3.41Å; T476-L480 PolarHBondContact O-N 3.12Å; L480-L483 HydrophobicContact CD2-CD1 4.42Å; L480-L483 PolarHBondContact O-N 3.47Å; L480-R484 VanDerWaalsContact CB-NH1 3.31Å; L480-R484 WeakPolarHBondContact O-CB 3.2Å; L480-R484 VanDerWaalsContact O-CG 3.3Å; L480-R484 WeakPolarHBondContact O-CG 3.47Å; L480-R484 PolarHBondContact O-N 3.26Å; L480-L515 HydrophobicContact CD2-CD1 4.35Å; L480-L515 HydrophobicContact CD2-CD2 3.77Å; L480-L515 HydrophobicContact CG-CD1 4.3Å |
| 481 | W | 98.2 | Very high | 96.5 | Very high | 52 Ų | 52 | 34 Ų | 34 | 20% | 0.197 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.5 | -42.7 | 174.1 | 177.5 | 96.7 | 0 | 0 | 0 | 111.9 | L382 I384 L396 L445 D477 A478 A479 L483 R484 T485 I487 | L382-W481 HydrophobicContact CD1-CH2 3.34Å; L382-W481 HydrophobicContact CD1-CZ2 3.34Å; L382-W481 HydrophobicContact CD1-CZ3 3.94Å; I384-W481 HydrophobicContact CD1-CB 4.12Å; I384-W481 HydrophobicContact CD1-CD2 3.56Å; I384-W481 HydrophobicContact CD1-CE3 3.55Å; I384-W481 HydrophobicContact CD1-CG 3.81Å; I384-W481 HydrophobicContact CD1-CZ3 4.21Å; I384-W481 HydrophobicContact CG1-CD2 3.91Å; I384-W481 HydrophobicContact CG1-CE3 4.34Å; I384-W481 HydrophobicContact CG1-CG 3.98Å; I384-W481 HydrophobicContact CG2-CB 3.78Å; I384-W481 HydrophobicContact CG2-CG 3.87Å; L396-W481 HydrophobicContact CD2-CH2 4.45Å; L445-W481 HydrophobicContact CD2-CE3 4.06Å; L445-W481 HydrophobicContact CD2-CZ3 4.35Å; D477-W481 VanDerWaalsContact O-CB 3.31Å; D477-W481 WeakPolarHBondContact O-CB 3.03Å; D477-W481 PolarHBondContact O-N 3.28Å; A478-W481 WeakPolarHBondContact O-CB 3.38Å; A478-W481 PolarHBondContact O-N 3.36Å; A479-W481 VanDerWaalsContact C-N 3.3Å; A479-W481 PolarHBondContact O-N 2.76Å; W481-L483 VanDerWaalsContact C-N 3.29Å; W481-L483 PolarHBondContact O-N 3.18Å; W481-R484 PolarHBondContact O-N 2.84Å; W481-T485 HydrophobicContact CD2-CG2 4.01Å; W481-T485 HydrophobicContact CG-CG2 4.46Å; W481-T485 HydrophobicContact CH2-CG2 4.28Å; W481-T485 HydrophobicContact CZ2-CG2 3.73Å; W481-T485 WeakPolarHBondContact O-CB 3.38Å; W481-T485 WeakPolarHBondContact O-CG2 3.48Å; W481-T485 PolarHBondContact O-N 3.16Å; W481-T485 PolarHBondContact O-OG1 3.11Å; W481-I487 HydrophobicContact CE3-CD1 4.4Å; W481-I487 HydrophobicContact CH2-CD1 3.63Å; W481-I487 HydrophobicContact CZ3-CD1 3.41Å; W481-I487 VanDerWaalsContact CZ3-CD1 3.41Å |
| 482 | A | 97.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.7 | -36.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L445 A478 A479 T485 I487 T488 | L445-A482 HydrophobicContact CD2-CB 4.26Å; A478-A482 PolarHBondContact O-N 2.88Å; A479-A482 PolarHBondContact O-N 2.96Å; A482-T485 PolarHBondContact O-OG1 2.86Å; A482-I487 PolarHBondContact O-N 2.89Å; A482-I487 VanDerWaalsContact O-N 3.09Å; A482-T488 HydrophobicContact CB-CG2 4.05Å; A482-T488 PolarHBondContact O-N 2.82Å |
| 483 | L | 96.5 | Very high | 96.3 | Very high | 35 Ų | 35 | 36.4 Ų | 36.4 | 18% | 0.183 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.4 | -48.3 | 173.6 | -66 | 171.1 | 0 | 0 | 0 | 112 | A479 L480 W481 T485 G486 T488 P490 L493 L515 | A479-L483 WeakPolarHBondContact O-CG 3.43Å; A479-L483 PolarHBondContact O-N 3Å; A479-L483 VanDerWaalsContact O-N 3.14Å; L480-L483 HydrophobicContact CD2-CD1 4.42Å; L480-L483 PolarHBondContact O-N 3.47Å; W481-L483 VanDerWaalsContact C-N 3.29Å; W481-L483 PolarHBondContact O-N 3.18Å; L483-T485 VanDerWaalsContact C-N 3.32Å; L483-T485 PolarHBondContact O-N 3.14Å; L483-G486 PolarHBondContact O-N 3.49Å; L483-G486 VanDerWaalsContact O-N 3.12Å; L483-T488 HydrophobicContact CD2-CG2 3.79Å; L483-T488 HydrophobicContact CG-CG2 4.35Å; L483-P490 HydrophobicContact CD2-CG 4Å; L483-L493 HydrophobicContact CD1-CD2 4.4Å; L483-L493 HydrophobicContact CD2-CD2 4.48Å; L483-L493 HydrophobicContact CG-CD2 4.32Å; L483-L515 HydrophobicContact CD1-CD2 3.93Å |
| 484 | R | 96 | Very high | 96.3 | Very high | 158 Ų | 158 | 34.1 Ų | 34.1 | 60% | 0.596 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -63.7 | -34.9 | -178.5 | -74.7 | -169.2 | -51.4 | -89.5 | 3 | 113.3 | L480 W481 G486 | L480-R484 VanDerWaalsContact CB-NH1 3.31Å; L480-R484 WeakPolarHBondContact O-CB 3.2Å; L480-R484 VanDerWaalsContact O-CG 3.3Å; L480-R484 WeakPolarHBondContact O-CG 3.47Å; L480-R484 PolarHBondContact O-N 3.26Å; W481-R484 PolarHBondContact O-N 2.84Å; R484-G486 PolarHBondContact O-N 2.88Å |
| 485 | T | 94.8 | Very high | 96.3 | Very high | 71 Ų | 71 | 34.1 Ų | 34.1 | 44% | 0.436 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -6.7 | 178.5 | 52.9 | 0 | 0 | 0 | 0 | 113.2 | W481 A482 L483 I487 | W481-T485 HydrophobicContact CD2-CG2 4.01Å; W481-T485 HydrophobicContact CG-CG2 4.46Å; W481-T485 HydrophobicContact CH2-CG2 4.28Å; W481-T485 HydrophobicContact CZ2-CG2 3.73Å; W481-T485 WeakPolarHBondContact O-CB 3.38Å; W481-T485 WeakPolarHBondContact O-CG2 3.48Å; W481-T485 PolarHBondContact O-N 3.16Å; W481-T485 PolarHBondContact O-OG1 3.11Å; A482-T485 PolarHBondContact O-OG1 2.86Å; L483-T485 VanDerWaalsContact C-N 3.32Å; L483-T485 PolarHBondContact O-N 3.14Å; T485-I487 VanDerWaalsContact C-N 3.26Å; T485-I487 PolarHBondContact O-N 3.39Å; T485-I487 WeakPolarHBondContact OG1-CD1 3.24Å |
| 486 | G | 93.4 | Very high | 96.3 | Very high | 30 Ų | 30 | 34 Ų | 34 | 31% | 0.309 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 10.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | S411 L483 R484 T488 | S411-G486 WeakPolarHBondContact CA-O 3.48Å; S411-G486 VanDerWaalsContact CB-O 3.29Å; S411-G486 WeakPolarHBondContact CB-O 3.26Å; L483-G486 PolarHBondContact O-N 3.49Å; L483-G486 VanDerWaalsContact O-N 3.12Å; R484-G486 PolarHBondContact O-N 2.88Å; G486-T488 PolarHBondContact O-N 2.93Å |
| 487 | I | 93.8 | Very high | 96.3 | Very high | 24 Ų | 24 | 33.8 Ų | 33.8 | 12% | 0.123 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -60.7 | -38.5 | 175.5 | -68.1 | 166.3 | 0 | 0 | 0 | 110 | L396 M398 S411 V412 A443 W481 A482 T485 | L396-I487 HydrophobicContact CD1-CD1 4.31Å; L396-I487 HydrophobicContact CD2-CD1 3.59Å; M398-I487 HydrophobicContact CE-CG2 4.36Å; M398-I487 HydrophobicContact SD-CG2 4.09Å; S411-I487 CarbonylContact C-O 3.56Å; S411-I487 WeakPolarHBondContact CA-O 3.47Å; V412-I487 HydrophobicContact CG2-CG2 4.18Å; V412-I487 WeakPolarHBondContact CG2-O 3.19Å; V412-I487 PolarHBondContact N-O 2.86Å; A443-I487 HydrophobicContact CB-CG2 4.01Å; W481-I487 HydrophobicContact CE3-CD1 4.4Å; W481-I487 HydrophobicContact CH2-CD1 3.63Å; W481-I487 HydrophobicContact CZ3-CD1 3.41Å; W481-I487 VanDerWaalsContact CZ3-CD1 3.41Å; A482-I487 PolarHBondContact O-N 2.89Å; A482-I487 VanDerWaalsContact O-N 3.09Å; T485-I487 VanDerWaalsContact C-N 3.26Å; T485-I487 PolarHBondContact O-N 3.39Å; T485-I487 WeakPolarHBondContact OG1-CD1 3.24Å |
| 488 | T | 95.4 | Very high | 96.2 | Very high | 5 Ų | 5 | 34.6 Ų | 34.6 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | trans | -138.2 | -179.3 | 178.6 | -165.1 | 0 | 0 | 0 | 0 | 111.5 | V412 T414 A482 L483 G486 R492 L493 | V412-T488 WeakPolarHBondContact O-CA 3.28Å; V412-T488 VanDerWaalsContact O-CB 3.32Å; V412-T488 WeakPolarHBondContact O-CB 3.36Å; V412-T488 PolarHBondContact O-OG1 3.34Å; T414-T488 HydrophobicContact CG2-CG2 4.48Å; T414-T488 WeakPolarHBondContact OG1-CB 3.15Å; A482-T488 HydrophobicContact CB-CG2 4.05Å; A482-T488 PolarHBondContact O-N 2.82Å; L483-T488 HydrophobicContact CD2-CG2 3.79Å; L483-T488 HydrophobicContact CG-CG2 4.35Å; G486-T488 PolarHBondContact O-N 2.93Å; T488-R492 PolarHBondContact OG1-O 2.98Å; T488-L493 HydrophobicContact CG2-CB 4.39Å; T488-L493 HydrophobicContact CG2-CD1 4.06Å; T488-L493 HydrophobicContact CG2-CD2 4.46Å | ||
| 489 | D | 92.1 | Very high | 96.2 | Very high | 36 Ų | 36 | 35.7 Ų | 35.7 | 19% | 0.193 | 19% | 0.193 | C | C | . | . | trans | -132 | 164.5 | 170.8 | 69.3 | 79.4 | 0 | 0 | 0 | 110.4 | T491 R492 | D489-T491 PolarHBondContact O-N 3.24Å; D489-T491 VanDerWaalsContact O-N 3.07Å; D489-T491 WeakPolarHBondContact OD1-CA 3.25Å; D489-T491 WeakPolarHBondContact OD1-CB 3.09Å; D489-T491 PolarHBondContact OD1-N 3.4Å; D489-T491 PolarHBondContact OD1-OG1 3.12Å; D489-R492 PolarHBondContact O-N 3.43Å; D489-R492 IonicContact OD2-CZ 3.54Å; D489-R492 IonicContact OD2-NE 3.57Å; D489-R492 PolarHBondContact OD2-NE 3.15Å; D489-R492 IonicContact OD2-NH2 2.7Å; D489-R492 PolarHBondContact OD2-NH2 3.03Å | ||
| 490 | P | 86.7 | Confident | 96.2 | Very high | 73 Ų | 73 | 35.8 Ų | 35.8 | 47% | 0.474 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -59.9 | -23.9 | -172.9 | -25.5 | 35.7 | 0 | 0 | 0 | 114.6 | L483 R492 | L483-P490 HydrophobicContact CD2-CG 4Å; P490-R492 VanDerWaalsContact C-N 3.29Å; P490-R492 PolarHBondContact O-N 2.7Å |
| 491 | T | 94 | Very high | 96.2 | Very high | 102 Ų | 102 | 33.1 Ų | 33.1 | 63% | 0.626 | 18% | 0.18 | S | C | * | . | G | 310 helix | trans | -83.7 | -5.9 | -178.9 | 69.4 | 0 | 0 | 0 | 0 | 113.3 | D489 | D489-T491 PolarHBondContact O-N 3.24Å; D489-T491 VanDerWaalsContact O-N 3.07Å; D489-T491 WeakPolarHBondContact OD1-CA 3.25Å; D489-T491 WeakPolarHBondContact OD1-CB 3.09Å; D489-T491 PolarHBondContact OD1-N 3.4Å; D489-T491 PolarHBondContact OD1-OG1 3.12Å |
| 492 | R | 95.6 | Very high | 96.2 | Very high | 57 Ų | 57 | 30.6 Ų | 30.6 | 22% | 0.215 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -132.3 | 25.3 | -174.7 | -62.2 | -172 | -63.8 | 171.5 | 4 | 113.8 | S411 P413 T414 T488 D489 P490 | S411-R492 VanDerWaalsContact CB-NH2 3.28Å; S411-R492 PolarHBondContact O-NH1 3.19Å; S411-R492 PolarHBondContact O-NH2 2.86Å; S411-R492 PolarHBondContact OG-NH2 3.34Å; P413-R492 CarbonylContact C-O 3.3Å; P413-R492 WeakPolarHBondContact CA-O 3.39Å; P413-R492 HydrophobicContact CB-CB 4.12Å; T414-R492 PolarHBondContact N-O 3.09Å; T488-R492 PolarHBondContact OG1-O 2.98Å; D489-R492 PolarHBondContact O-N 3.43Å; D489-R492 IonicContact OD2-CZ 3.54Å; D489-R492 IonicContact OD2-NE 3.57Å; D489-R492 PolarHBondContact OD2-NE 3.15Å; D489-R492 IonicContact OD2-NH2 2.7Å; D489-R492 PolarHBondContact OD2-NH2 3.03Å; P490-R492 VanDerWaalsContact C-N 3.29Å; P490-R492 PolarHBondContact O-N 2.7Å |
| 493 | L | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 125.9 | 177.3 | -174.6 | 56.5 | 0 | 0 | 0 | 110.9 | T414 I416 A479 L483 T488 L515 Y516 A517 | T414-L493 HydrophobicContact CG2-CD1 3.82Å; T414-L493 CarbonylContact O-C 3.57Å; T414-L493 WeakPolarHBondContact O-CA 3.23Å; T414-L493 WeakPolarHBondContact O-CD1 3.5Å; I416-L493 HydrophobicContact CD1-CD1 3.98Å; I416-L493 HydrophobicContact CG1-CD1 3.81Å; I416-L493 HydrophobicContact CG1-CG 4.46Å; A479-L493 HydrophobicContact CB-CD2 3.91Å; L483-L493 HydrophobicContact CD1-CD2 4.4Å; L483-L493 HydrophobicContact CD2-CD2 4.48Å; L483-L493 HydrophobicContact CG-CD2 4.32Å; T488-L493 HydrophobicContact CG2-CB 4.39Å; T488-L493 HydrophobicContact CG2-CD1 4.06Å; T488-L493 HydrophobicContact CG2-CD2 4.46Å; L493-L515 WeakPolarHBondContact CB-O 3.43Å; L493-L515 WeakPolarHBondContact CD2-O 3.5Å; L493-Y516 HydrophobicContact CD2-CD1 4.4Å; L493-Y516 HydrophobicContact CD2-CE1 4.27Å; L493-Y516 HydrophobicContact CG-CD1 4.04Å; L493-Y516 HydrophobicContact CG-CE1 4.23Å; L493-Y516 CarbonylContact O-C 3.51Å; L493-Y516 WeakPolarHBondContact O-CA 3.29Å; L493-A517 PolarHBondContact O-N 3.16Å |
| 494 | A | 98.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 161.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | T414 I415 I416 C518 L638 L642 | T414-A494 PolarHBondContact O-N 2.72Å; I415-A494 HydrophobicContact CB-CB 4.48Å; I415-A494 HydrophobicContact CG1-CB 4.16Å; I415-A494 HydrophobicContact CG2-CB 4.32Å; I416-A494 PolarHBondContact N-O 3.16Å; A494-C518 WeakPolarHBondContact CA-O 3.33Å; A494-L638 HydrophobicContact CB-CD2 3.88Å; A494-L642 HydrophobicContact CB-CD1 3.92Å |
| 495 | I | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 136 | 162.1 | -172.4 | 167.1 | 0 | 0 | 0 | 109.4 | I416 V418 I475 V505 L509 Y516 C518 G519 I520 | I416-I495 HydrophobicContact CB-CG1 4.48Å; I416-I495 WeakPolarHBondContact O-CA 3.4Å; V418-I495 HydrophobicContact CG2-CD1 4.24Å; V418-I495 HydrophobicContact CG2-CG1 4.2Å; I475-I495 HydrophobicContact CG2-CD1 3.97Å; I495-V505 HydrophobicContact CB-CG2 4.5Å; I495-V505 HydrophobicContact CG1-CG2 3.89Å; I495-V505 HydrophobicContact CG2-CB 4.36Å; I495-V505 HydrophobicContact CG2-CG1 4.12Å; I495-V505 HydrophobicContact CG2-CG2 4.31Å; I495-L509 HydrophobicContact CG2-CD2 4.14Å; I495-L509 HydrophobicContact CG2-CG 4.43Å; I495-Y516 HydrophobicContact CB-CD1 3.74Å; I495-Y516 HydrophobicContact CB-CE1 3.67Å; I495-Y516 HydrophobicContact CB-CG 4.28Å; I495-Y516 HydrophobicContact CD1-CE1 4.32Å; I495-Y516 HydrophobicContact CD1-CE2 4.44Å; I495-Y516 HydrophobicContact CG1-CE1 4.43Å; I495-Y516 HydrophobicContact CG2-CD1 3.96Å; I495-Y516 HydrophobicContact CG2-CD2 4.3Å; I495-Y516 HydrophobicContact CG2-CE1 4.26Å; I495-Y516 HydrophobicContact CG2-CG 3.99Å; I495-C518 PolarHBondContact N-O 3.02Å; I495-G519 CarbonylContact O-C 3.45Å; I495-G519 WeakPolarHBondContact O-CA 3.28Å; I495-I520 PolarHBondContact O-N 3.1Å |
| 496 | G | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 150.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I416 W417 V418 I520 | I416-G496 PolarHBondContact O-N 3.12Å; W417-G496 CarbonylContact C-O 3.47Å; W417-G496 VanDerWaalsContact CA-O 3.3Å; W417-G496 WeakPolarHBondContact CA-O 3.48Å; V418-G496 PolarHBondContact N-O 2.97Å; G496-I520 WeakPolarHBondContact CA-O 3.41Å |
| 497 | G | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.6 | 170.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V418 I520 M522 | V418-G497 VanDerWaalsContact O-CA 3.31Å; V418-G497 WeakPolarHBondContact O-CA 3.48Å; G497-I520 PolarHBondContact N-O 3.1Å; G497-M522 PolarHBondContact O-N 2.88Å |
| 498 | A | 98.2 | Very high | 97.2 | Very high | 25 Ų | 25 | 15.4 Ų | 15.4 | 21% | 0.207 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 146 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112 | G420 Y500 G501 M522 F523 | G420-A498 WeakPolarHBondContact CA-O 3.32Å; G420-A498 PolarHBondContact N-O 3.31Å; A498-Y500 PolarHBondContact O-N 3.35Å; A498-G501 WeakPolarHBondContact O-CA 3.23Å; A498-G501 PolarHBondContact O-N 3.27Å; A498-M522 CarbonylContact C-O 3.51Å; A498-M522 WeakPolarHBondContact CA-O 3.35Å; A498-M522 HydrophobicContact CB-CB 3.86Å; A498-M522 HydrophobicContact CB-SD 4.38Å; A498-F523 HydrophobicContact CB-CE2 3.62Å; A498-F523 HydrophobicContact CB-CZ 3.8Å |
| 499 | S | 97.9 | Very high | 97.4 | Very high | 23 Ų | 23 | 15.2 Ų | 15.2 | 16% | 0.161 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | -122.8 | -177.7 | -169.9 | 0 | 0 | 0 | 0 | 110.4 | G501 G502 Y503 M522 F523 G524 P525 H619 | S499-G501 PolarHBondContact O-N 3.34Å; S499-G501 VanDerWaalsContact O-N 3.12Å; S499-G502 WeakPolarHBondContact O-CA 3.38Å; S499-G502 PolarHBondContact O-N 3.45Å; S499-Y503 PolarHBondContact O-N 2.86Å; S499-Y503 VanDerWaalsContact O-N 3.08Å; S499-M522 PolarHBondContact N-O 3.3Å; S499-F523 WeakPolarHBondContact CA-O 2.94Å; S499-G524 WeakPolarHBondContact O-CA 3.18Å; S499-P525 WeakPolarHBondContact O-CD 3.21Å; S499-H619 VanDerWaalsContact CB-NE2 3.31Å; S499-H619 WeakPolarHBondContact CB-NE2 3.5Å; S499-H619 PolarHBondContact OG-NE2 2.82Å; S499-H619 VanDerWaalsContact OG-NE2 3.07Å |
| 500 | Y | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 13.9 Ų | 13.9 | 1% | 0.008 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -50.2 | -35.5 | 169 | 176.1 | -91.1 | 0 | 0 | 0 | 113.9 | P422 F449 W467 M471 A498 G502 Y503 S504 | P422-Y500 HydrophobicContact CB-CD1 3.98Å; P422-Y500 HydrophobicContact CB-CD2 3.76Å; P422-Y500 HydrophobicContact CB-CE1 4.2Å; P422-Y500 HydrophobicContact CB-CE2 3.96Å; P422-Y500 HydrophobicContact CB-CG 3.76Å; P422-Y500 HydrophobicContact CG-CD2 3.91Å; P422-Y500 HydrophobicContact CG-CE2 4.35Å; P422-Y500 HydrophobicContact CG-CG 4.16Å; F449-Y500 HydrophobicContact CD2-CE1 4.33Å; F449-Y500 HydrophobicContact CE1-CD1 4.25Å; F449-Y500 AromaticContact CE1-CE1 3.88Å; F449-Y500 HydrophobicContact CE1-CE1 3.88Å; F449-Y500 HydrophobicContact CE2-CD1 4.13Å; F449-Y500 AromaticContact CE2-CE1 3.48Å; F449-Y500 HydrophobicContact CE2-CE1 3.48Å; F449-Y500 VanDerWaalsContact CE2-CE1 3.48Å; F449-Y500 AromaticContact CZ-CD1 3.51Å; F449-Y500 HydrophobicContact CZ-CD1 3.51Å; F449-Y500 AromaticContact CZ-CE1 3.2Å; F449-Y500 HydrophobicContact CZ-CE1 3.2Å; W467-Y500 AromaticContact CD2-CD2 3.82Å; W467-Y500 HydrophobicContact CD2-CD2 3.82Å; W467-Y500 AromaticContact CD2-CE2 3.59Å; W467-Y500 HydrophobicContact CD2-CE2 3.59Å; W467-Y500 AromaticContact CE2-CD2 3.77Å; W467-Y500 AromaticContact CE2-CE2 3.82Å; W467-Y500 AromaticContact CE3-CD2 3.73Å; W467-Y500 HydrophobicContact CE3-CD2 3.73Å; W467-Y500 AromaticContact CE3-CE2 3.79Å; W467-Y500 HydrophobicContact CE3-CE2 3.79Å; W467-Y500 HydrophobicContact CG-CE2 4Å; W467-Y500 AromaticContact CH2-CD2 3.68Å; W467-Y500 HydrophobicContact CH2-CD2 3.68Å; W467-Y500 HydrophobicContact CH2-CE2 4.46Å; W467-Y500 AromaticContact CZ2-CD2 3.75Å; W467-Y500 HydrophobicContact CZ2-CD2 3.75Å; W467-Y500 HydrophobicContact CZ2-CE2 4.29Å; W467-Y500 AromaticContact CZ3-CD2 3.66Å; W467-Y500 HydrophobicContact CZ3-CD2 3.66Å; W467-Y500 HydrophobicContact CZ3-CE2 4.22Å; M471-Y500 WeakPolarHBondContact CB-OH 3.48Å; M471-Y500 HydrophobicContact CE-CE1 4.36Å; M471-Y500 HydrophobicContact CE-CE2 4.09Å; M471-Y500 WeakPolarHBondContact CE-OH 3.49Å; A498-Y500 PolarHBondContact O-N 3.35Å; Y500-G502 VanDerWaalsContact C-N 3.27Å; Y500-G502 PolarHBondContact O-N 2.84Å; Y500-Y503 HydrophobicContact CD2-CD1 4.1Å; Y500-Y503 AromaticContact CE2-CD1 3.88Å; Y500-Y503 HydrophobicContact CE2-CD1 3.88Å; Y500-Y503 HydrophobicContact CE2-CE1 4.13Å; Y500-Y503 WeakPolarHBondContact O-CB 3.41Å; Y500-Y503 PolarHBondContact O-N 3.07Å; Y500-S504 PolarHBondContact O-N 2.81Å |
| 501 | G | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.6 | -34.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V418 A498 S499 S504 V505 | V418-G501 WeakPolarHBondContact O-CA 3.37Å; A498-G501 WeakPolarHBondContact O-CA 3.23Å; A498-G501 PolarHBondContact O-N 3.27Å; S499-G501 PolarHBondContact O-N 3.34Å; S499-G501 VanDerWaalsContact O-N 3.12Å; G501-S504 WeakPolarHBondContact O-CB 3.47Å; G501-S504 PolarHBondContact O-N 3.28Å; G501-V505 VanDerWaalsContact O-CG2 3.27Å; G501-V505 WeakPolarHBondContact O-CG2 3.4Å; G501-V505 PolarHBondContact O-N 3.45Å |
| 502 | G | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -67.6 | -42.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S499 Y500 S504 V505 L506 D521 | S499-G502 WeakPolarHBondContact O-CA 3.38Å; S499-G502 PolarHBondContact O-N 3.45Å; Y500-G502 VanDerWaalsContact C-N 3.27Å; Y500-G502 PolarHBondContact O-N 2.84Å; G502-S504 VanDerWaalsContact C-N 3.28Å; G502-S504 PolarHBondContact O-N 2.75Å; G502-V505 WeakPolarHBondContact O-CB 3.48Å; G502-V505 PolarHBondContact O-N 3.32Å; G502-L506 WeakPolarHBondContact O-CG 3.32Å; G502-L506 PolarHBondContact O-N 2.86Å; G502-L506 VanDerWaalsContact O-N 3.13Å; G502-D521 WeakPolarHBondContact CA-OD1 3.47Å |
| 503 | Y | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -57.1 | -42.4 | 168.9 | 164.7 | -86.4 | 0 | 0 | 0 | 112.1 | W467 G468 S499 Y500 V505 L506 C507 P525 L528 R566 P568 | W467-Y503 HydrophobicContact CB-CE1 4.27Å; W467-Y503 AromaticContact CE3-CD1 3.96Å; W467-Y503 HydrophobicContact CE3-CD1 3.96Å; W467-Y503 HydrophobicContact CE3-CD2 4.27Å; W467-Y503 AromaticContact CE3-CE1 3.87Å; W467-Y503 HydrophobicContact CE3-CE1 3.87Å; W467-Y503 HydrophobicContact CE3-CE2 4.14Å; W467-Y503 HydrophobicContact CE3-CG 4.18Å; W467-Y503 AromaticContact CE3-CZ 3.97Å; W467-Y503 HydrophobicContact CZ3-CD1 4.39Å; W467-Y503 HydrophobicContact CZ3-CD2 4.44Å; W467-Y503 HydrophobicContact CZ3-CG 4.27Å; W467-Y503 PolarHBondContact O-OH 2.69Å; G468-Y503 VanDerWaalsContact CA-OH 3.28Å; G468-Y503 WeakPolarHBondContact CA-OH 3.43Å; G468-Y503 PolarHBondContact N-OH 3.01Å; S499-Y503 PolarHBondContact O-N 2.86Å; S499-Y503 VanDerWaalsContact O-N 3.08Å; Y500-Y503 HydrophobicContact CD2-CD1 4.1Å; Y500-Y503 AromaticContact CE2-CD1 3.88Å; Y500-Y503 HydrophobicContact CE2-CD1 3.88Å; Y500-Y503 HydrophobicContact CE2-CE1 4.13Å; Y500-Y503 WeakPolarHBondContact O-CB 3.41Å; Y500-Y503 PolarHBondContact O-N 3.07Å; Y503-V505 PolarHBondContact O-N 2.79Å; Y503-L506 PolarHBondContact O-N 3.08Å; Y503-C507 WeakPolarHBondContact CE1-SG 3.41Å; Y503-C507 PolarHBondContact O-N 2.86Å; Y503-C507 PolarHBondContact O-SG 3.09Å; Y503-P525 WeakPolarHBondContact CD2-O 3.27Å; Y503-P525 HydrophobicContact CG-CG 4.5Å; Y503-L528 HydrophobicContact CD2-CD2 4.03Å; Y503-L528 HydrophobicContact CE2-CD1 3.99Å; Y503-L528 HydrophobicContact CE2-CD2 3.82Å; Y503-L528 HydrophobicContact CE2-CG 4.03Å; Y503-R566 WeakPolarHBondContact CE2-O 3.47Å; Y503-R566 PolarHBondContact OH-O 2.98Å; Y503-P568 HydrophobicContact CD2-CG 3.89Å; Y503-P568 VanDerWaalsContact CE2-CD 3.44Å; Y503-P568 HydrophobicContact CE2-CG 3.98Å |
| 504 | S | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66.1 | -35.2 | 177.9 | -176.1 | 0 | 0 | 0 | 0 | 112.7 | Q472 Y500 G501 G502 C507 G508 | Q472-S504 PolarHBondContact NE2-O 2.81Å; Q472-S504 PolarHBondContact OE1-O 3.26Å; Q472-S504 PolarHBondContact OE1-OG 2.82Å; Y500-S504 PolarHBondContact O-N 2.81Å; G501-S504 WeakPolarHBondContact O-CB 3.47Å; G501-S504 PolarHBondContact O-N 3.28Å; G502-S504 VanDerWaalsContact C-N 3.28Å; G502-S504 PolarHBondContact O-N 2.75Å; S504-C507 PolarHBondContact O-N 3.22Å; S504-G508 PolarHBondContact O-N 3.14Å |
| 505 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -56.6 | -52.8 | 170.6 | 165.6 | 0 | 0 | 0 | 0 | 110 | I495 G501 G502 Y503 C507 G508 L509 I520 D521 L579 | I495-V505 HydrophobicContact CB-CG2 4.5Å; I495-V505 HydrophobicContact CG1-CG2 3.89Å; I495-V505 HydrophobicContact CG2-CB 4.36Å; I495-V505 HydrophobicContact CG2-CG1 4.12Å; I495-V505 HydrophobicContact CG2-CG2 4.31Å; G501-V505 VanDerWaalsContact O-CG2 3.27Å; G501-V505 WeakPolarHBondContact O-CG2 3.4Å; G501-V505 PolarHBondContact O-N 3.45Å; G502-V505 WeakPolarHBondContact O-CB 3.48Å; G502-V505 PolarHBondContact O-N 3.32Å; Y503-V505 PolarHBondContact O-N 2.79Å; V505-C507 PolarHBondContact O-N 3.27Å; V505-G508 PolarHBondContact O-N 2.88Å; V505-G508 VanDerWaalsContact O-N 3.14Å; V505-L509 HydrophobicContact CG1-CD1 4.47Å; V505-L509 WeakPolarHBondContact O-CG 3.16Å; V505-L509 PolarHBondContact O-N 3.3Å; V505-I520 VanDerWaalsContact CG2-O 3.31Å; V505-I520 WeakPolarHBondContact CG2-O 3.41Å; V505-D521 HydrophobicContact CG1-CB 4.17Å; V505-L579 HydrophobicContact CG1-CD1 4.08Å |
| 506 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.6 | -42.4 | 179.8 | -57.8 | 174.7 | 0 | 0 | 0 | 111.7 | G502 Y503 G508 L509 I510 D521 T526 P568 I575 L579 L598 | G502-L506 WeakPolarHBondContact O-CG 3.32Å; G502-L506 PolarHBondContact O-N 2.86Å; G502-L506 VanDerWaalsContact O-N 3.13Å; Y503-L506 PolarHBondContact O-N 3.08Å; L506-G508 VanDerWaalsContact C-N 3.34Å; L506-G508 PolarHBondContact O-N 2.66Å; L506-L509 PolarHBondContact O-N 3.46Å; L506-I510 WeakPolarHBondContact O-CB 3.44Å; L506-I510 WeakPolarHBondContact O-CD1 3.43Å; L506-I510 WeakPolarHBondContact O-CG1 3.23Å; L506-I510 PolarHBondContact O-N 2.69Å; L506-D521 HydrophobicContact CD2-CB 4.4Å; L506-T526 HydrophobicContact CD1-CG2 3.28Å; L506-P568 HydrophobicContact CB-CB 3.67Å; L506-P568 HydrophobicContact CB-CG 3.72Å; L506-P568 HydrophobicContact CD1-CB 3.98Å; L506-P568 HydrophobicContact CD1-CG 4.18Å; L506-P568 HydrophobicContact CG-CB 4.48Å; L506-I575 HydrophobicContact CD2-CD1 4.02Å; L506-L579 HydrophobicContact CD2-CD1 4.41Å; L506-L579 HydrophobicContact CD2-CD2 3.85Å; L506-L598 HydrophobicContact CD1-CD1 4.44Å; L506-L598 HydrophobicContact CD1-CD2 4.08Å; L506-L598 HydrophobicContact CD2-CD1 4.25Å; L506-L598 HydrophobicContact CD2-CD2 3.6Å |
| 507 | C | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.1 | -41.4 | 173.4 | -74 | 0 | 0 | 0 | 0 | 112.6 | Q472 Y503 S504 V505 I510 F511 | Q472-C507 HydrophobicContact CG-CB 3.97Å; Y503-C507 WeakPolarHBondContact CE1-SG 3.41Å; Y503-C507 PolarHBondContact O-N 2.86Å; Y503-C507 PolarHBondContact O-SG 3.09Å; S504-C507 PolarHBondContact O-N 3.22Å; V505-C507 PolarHBondContact O-N 3.27Å; C507-I510 PolarHBondContact O-N 3.35Å; C507-F511 HydrophobicContact CB-CD2 3.87Å; C507-F511 HydrophobicContact CB-CE2 3.96Å; C507-F511 WeakPolarHBondContact O-CB 3.42Å; C507-F511 WeakPolarHBondContact O-CD2 3.25Å; C507-F511 WeakPolarHBondContact O-CG 3.46Å; C507-F511 PolarHBondContact O-N 3.44Å |
| 508 | G | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.1 | -47.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S504 V505 L506 I510 T512 | S504-G508 PolarHBondContact O-N 3.14Å; V505-G508 PolarHBondContact O-N 2.88Å; V505-G508 VanDerWaalsContact O-N 3.14Å; L506-G508 VanDerWaalsContact C-N 3.34Å; L506-G508 PolarHBondContact O-N 2.66Å; G508-I510 VanDerWaalsContact C-N 3.26Å; G508-I510 PolarHBondContact O-N 3.5Å; G508-T512 CarbonylContact O-C 3.59Å; G508-T512 WeakPolarHBondContact O-CA 3.36Å; G508-T512 PolarHBondContact O-N 3.46Å; G508-T512 PolarHBondContact O-OG1 2.94Å |
| 509 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -69.4 | -21.5 | 178.5 | -60 | -173.9 | 0 | 0 | 0 | 113.7 | I495 V505 L506 P513 Y516 I575 Q577 L579 | I495-L509 HydrophobicContact CG2-CD2 4.14Å; I495-L509 HydrophobicContact CG2-CG 4.43Å; V505-L509 HydrophobicContact CG1-CD1 4.47Å; V505-L509 WeakPolarHBondContact O-CG 3.16Å; V505-L509 PolarHBondContact O-N 3.3Å; L506-L509 PolarHBondContact O-N 3.46Å; L509-P513 WeakPolarHBondContact O-CB 3.38Å; L509-Y516 HydrophobicContact CD2-CD2 4.4Å; L509-Y516 HydrophobicContact CD2-CG 4.38Å; L509-I575 HydrophobicContact CB-CG1 4.03Å; L509-I575 HydrophobicContact CB-CG2 4.05Å; L509-I575 HydrophobicContact CD1-CG2 3.88Å; L509-Q577 HydrophobicContact CD1-CB 4.49Å; L509-Q577 HydrophobicContact CD2-CB 4.03Å; L509-Q577 HydrophobicContact CD2-CG 3.96Å; L509-L579 HydrophobicContact CD1-CD1 3.93Å |
| 510 | I | 98.4 | Very high | 98.2 | Very high | 8 Ų | 8 | 15.4 Ų | 15.4 | 4% | 0.041 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -89.5 | -43.3 | 178.3 | -70.2 | 167.8 | 0 | 0 | 0 | 112.2 | L506 C507 G508 P568 K571 N574 I575 | L506-I510 WeakPolarHBondContact O-CB 3.44Å; L506-I510 WeakPolarHBondContact O-CD1 3.43Å; L506-I510 WeakPolarHBondContact O-CG1 3.23Å; L506-I510 PolarHBondContact O-N 2.69Å; C507-I510 PolarHBondContact O-N 3.35Å; G508-I510 VanDerWaalsContact C-N 3.26Å; G508-I510 PolarHBondContact O-N 3.5Å; I510-P568 HydrophobicContact CD1-CB 3.65Å; I510-K571 HydrophobicContact CD1-CB 4.17Å; I510-K571 HydrophobicContact CG2-CB 3.65Å; I510-K571 HydrophobicContact CG2-CD 4.07Å; I510-N574 HydrophobicContact CG2-CB 4.18Å; I510-I575 HydrophobicContact CD1-CD1 4.18Å; I510-I575 HydrophobicContact CD1-CG1 4.2Å; I510-I575 HydrophobicContact CG1-CD1 4.01Å; I510-I575 HydrophobicContact CG1-CG1 3.5Å |
| 511 | F | 96.7 | Very high | 98.2 | Very high | 77 Ų | 77 | 15.3 Ų | 15.3 | 34% | 0.338 | 8% | 0.08 | S | C | . | . | H | α-helix | trans | -100.4 | -27 | -168.5 | -59.2 | -48.7 | 0 | 0 | 0 | 114 | C507 K571 | C507-F511 HydrophobicContact CB-CD2 3.87Å; C507-F511 HydrophobicContact CB-CE2 3.96Å; C507-F511 WeakPolarHBondContact O-CB 3.42Å; C507-F511 WeakPolarHBondContact O-CD2 3.25Å; C507-F511 WeakPolarHBondContact O-CG 3.46Å; C507-F511 PolarHBondContact O-N 3.44Å; F511-K571 HydrophobicContact CE1-CD 3.61Å; F511-K571 HydrophobicContact CZ-CD 3.96Å |
| 512 | T | 97.1 | Very high | 98.2 | Very high | 21 Ų | 21 | 16 Ų | 16 | 13% | 0.129 | 8% | 0.084 | C | C | . | . | trans | -134.6 | 50.4 | 177.1 | 48.9 | 0 | 0 | 0 | 0 | 111.7 | T476 G508 E514 L515 Y516 | T476-T512 HydrophobicContact CG2-CG2 3.87Å; G508-T512 CarbonylContact O-C 3.59Å; G508-T512 WeakPolarHBondContact O-CA 3.36Å; G508-T512 PolarHBondContact O-N 3.46Å; G508-T512 PolarHBondContact O-OG1 2.94Å; T512-E514 PolarHBondContact O-N 3.16Å; T512-E514 VanDerWaalsContact O-N 3.13Å; T512-L515 HydrophobicContact CG2-CD1 4.43Å; T512-L515 PolarHBondContact O-N 3.03Å; T512-L515 VanDerWaalsContact O-N 3.08Å; T512-Y516 WeakPolarHBondContact O-CD2 3.36Å | ||
| 513 | P | 96.6 | Very high | 98.1 | Very high | 37 Ų | 37 | 16.7 Ų | 16.7 | 24% | 0.24 | 9% | 0.087 | C | C | . | . | G | 310 helix | trans | -54.4 | -34.3 | -175.6 | 21.7 | -33.3 | 0 | 0 | 0 | 113.3 | L509 L515 Y516 Q577 | L509-P513 WeakPolarHBondContact O-CB 3.38Å; P513-L515 PolarHBondContact O-N 3.19Å; P513-L515 VanDerWaalsContact O-N 3.12Å; P513-Y516 PolarHBondContact O-N 3.39Å; P513-Q577 PolarHBondContact O-NE2 3.29Å |
| 514 | E | 96.2 | Very high | 98.1 | Very high | 129 Ų | 129 | 16.7 Ų | 16.7 | 60% | 0.603 | 9% | 0.087 | S | C | * | . | G | 310 helix | trans | -63.3 | -16.1 | -178.6 | 68.9 | -76.1 | 176.2 | 0 | 0 | 114.6 | T512 | T512-E514 PolarHBondContact O-N 3.16Å; T512-E514 VanDerWaalsContact O-N 3.13Å |
| 515 | L | 97.7 | Very high | 98.1 | Very high | 14 Ų | 14 | 16.9 Ų | 16.9 | 7% | 0.073 | 9% | 0.088 | C | C | . | . | G | 310 helix | trans | -85.4 | -23.6 | 178.7 | -60.7 | -175.2 | 0 | 0 | 0 | 113.2 | T476 A479 L480 L483 L493 T512 P513 | T476-L515 HydrophobicContact CG2-CD1 3.72Å; A479-L515 HydrophobicContact CB-CD1 4.25Å; L480-L515 HydrophobicContact CD2-CD1 4.35Å; L480-L515 HydrophobicContact CD2-CD2 3.77Å; L480-L515 HydrophobicContact CG-CD1 4.3Å; L483-L515 HydrophobicContact CD1-CD2 3.93Å; L493-L515 WeakPolarHBondContact CB-O 3.43Å; L493-L515 WeakPolarHBondContact CD2-O 3.5Å; T512-L515 HydrophobicContact CG2-CD1 4.43Å; T512-L515 PolarHBondContact O-N 3.03Å; T512-L515 VanDerWaalsContact O-N 3.08Å; P513-L515 PolarHBondContact O-N 3.19Å; P513-L515 VanDerWaalsContact O-N 3.12Å |
| 516 | Y | 98.2 | Very high | 98.1 | Very high | 7 Ų | 7 | 16.9 Ų | 16.9 | 3% | 0.027 | 9% | 0.088 | C | C | . | . | trans | -120.1 | 132.6 | -167 | -54.1 | -70.6 | 0 | 0 | 0 | 111.4 | I416 A479 L493 I495 L509 T512 P513 Q577 | I416-Y516 HydrophobicContact CG1-CE1 4.23Å; A479-Y516 HydrophobicContact CB-CE1 4.21Å; L493-Y516 HydrophobicContact CD2-CD1 4.4Å; L493-Y516 HydrophobicContact CD2-CE1 4.27Å; L493-Y516 HydrophobicContact CG-CD1 4.04Å; L493-Y516 HydrophobicContact CG-CE1 4.23Å; L493-Y516 CarbonylContact O-C 3.51Å; L493-Y516 WeakPolarHBondContact O-CA 3.29Å; I495-Y516 HydrophobicContact CB-CD1 3.74Å; I495-Y516 HydrophobicContact CB-CE1 3.67Å; I495-Y516 HydrophobicContact CB-CG 4.28Å; I495-Y516 HydrophobicContact CD1-CE1 4.32Å; I495-Y516 HydrophobicContact CD1-CE2 4.44Å; I495-Y516 HydrophobicContact CG1-CE1 4.43Å; I495-Y516 HydrophobicContact CG2-CD1 3.96Å; I495-Y516 HydrophobicContact CG2-CD2 4.3Å; I495-Y516 HydrophobicContact CG2-CE1 4.26Å; I495-Y516 HydrophobicContact CG2-CG 3.99Å; L509-Y516 HydrophobicContact CD2-CD2 4.4Å; L509-Y516 HydrophobicContact CD2-CG 4.38Å; T512-Y516 WeakPolarHBondContact O-CD2 3.36Å; P513-Y516 PolarHBondContact O-N 3.39Å; Y516-Q577 WeakPolarHBondContact O-CG 3.44Å | ||
| 517 | A | 97.9 | Very high | 98 | Very high | 28 Ų | 28 | 17.4 Ų | 17.4 | 23% | 0.231 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -82.5 | -26.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L493 P578 L642 | L493-A517 PolarHBondContact O-N 3.16Å; A517-P578 WeakPolarHBondContact O-CD 3.19Å; A517-L642 HydrophobicContact CB-CD2 3.53Å |
| 518 | C | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 167.4 | 178.9 | 61.8 | 0 | 0 | 0 | 0 | 111.9 | A494 I495 P578 F637 C641 | A494-C518 WeakPolarHBondContact CA-O 3.33Å; I495-C518 PolarHBondContact N-O 3.02Å; C518-P578 WeakPolarHBondContact CA-O 3.29Å; C518-P578 HydrophobicContact CB-CB 4.23Å; C518-F637 HydrophobicContact CB-CE1 3.82Å; C518-F637 HydrophobicContact CB-CZ 3.68Å; C518-C641 HydrophobicContact CB-CB 3.79Å; C518-C641 VanDerWaalsContact CB-SG 3.55Å; C518-C641 VanDerWaalsContact SG-CB 3.52Å |
| 519 | G | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 151.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | I495 P578 L579 L580 F637 | I495-G519 CarbonylContact O-C 3.45Å; I495-G519 WeakPolarHBondContact O-CA 3.28Å; G519-P578 PolarHBondContact N-O 2.78Å; G519-L579 WeakPolarHBondContact O-CA 3.44Å; G519-L580 PolarHBondContact O-N 3.43Å; G519-F637 VanDerWaalsContact O-CE1 3.31Å; G519-F637 WeakPolarHBondContact O-CE1 3.21Å; G519-F637 VanDerWaalsContact O-CZ 3.29Å; G519-F637 WeakPolarHBondContact O-CZ 3.25Å |
| 520 | I | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 104.6 | 173.7 | -57.4 | 172.9 | 0 | 0 | 0 | 109.6 | I495 G496 G497 V505 M522 L580 F630 A634 F637 L638 | I495-I520 PolarHBondContact O-N 3.1Å; G496-I520 WeakPolarHBondContact CA-O 3.41Å; G497-I520 PolarHBondContact N-O 3.1Å; V505-I520 VanDerWaalsContact CG2-O 3.31Å; V505-I520 WeakPolarHBondContact CG2-O 3.41Å; I520-M522 HydrophobicContact CG2-CG 4.19Å; I520-L580 CarbonylContact C-O 3.58Å; I520-L580 WeakPolarHBondContact CA-O 3.45Å; I520-L580 HydrophobicContact CG1-CB 4.29Å; I520-L580 HydrophobicContact CG1-CD2 4.33Å; I520-L580 HydrophobicContact CG2-CD2 4.17Å; I520-L580 HydrophobicContact CG2-CG 4.43Å; I520-F630 HydrophobicContact CG2-CZ 3.94Å; I520-A634 HydrophobicContact CD1-CB 4.25Å; I520-F637 HydrophobicContact CD1-CD1 4.33Å; I520-F637 HydrophobicContact CG1-CD1 3.95Å; I520-F637 HydrophobicContact CG1-CE1 3.81Å; I520-L638 HydrophobicContact CD1-CD1 3.81Å; I520-L638 HydrophobicContact CD1-CD2 4.03Å; I520-L638 HydrophobicContact CD1-CG 3.89Å |
| 521 | D | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 117.6 | 175.2 | 175 | 12.9 | 0 | 0 | 0 | 110.5 | G502 V505 L506 G524 L579 L580 V581 L582 | G502-D521 WeakPolarHBondContact CA-OD1 3.47Å; V505-D521 HydrophobicContact CG1-CB 4.17Å; L506-D521 HydrophobicContact CD2-CB 4.4Å; D521-G524 VanDerWaalsContact OD1-CA 3.25Å; D521-G524 WeakPolarHBondContact OD1-CA 3.46Å; D521-G524 PolarHBondContact OD1-N 3.22Å; D521-L579 HydrophobicContact CB-CD1 4.14Å; D521-L580 PolarHBondContact N-O 2.84Å; D521-V581 CarbonylContact O-C 3.59Å; D521-V581 VanDerWaalsContact O-CA 3.32Å; D521-V581 WeakPolarHBondContact O-CA 3.05Å; D521-L582 PolarHBondContact O-N 3.01Å |
| 522 | M | 98.4 | Very high | 97.6 | Very high | 15 Ų | 15 | 16.4 Ų | 16.4 | 7% | 0.074 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 107.1 | 171.6 | -56.6 | 168.6 | 67.1 | 0 | 0 | 109.5 | W417 G497 A498 S499 I520 G524 L582 F630 | W417-M522 HydrophobicContact CH2-SD 3.95Å; W417-M522 HydrophobicContact CZ2-SD 4.12Å; G497-M522 PolarHBondContact O-N 2.88Å; A498-M522 CarbonylContact C-O 3.51Å; A498-M522 WeakPolarHBondContact CA-O 3.35Å; A498-M522 HydrophobicContact CB-CB 3.86Å; A498-M522 HydrophobicContact CB-SD 4.38Å; S499-M522 PolarHBondContact N-O 3.3Å; I520-M522 HydrophobicContact CG2-CG 4.19Å; M522-G524 VanDerWaalsContact C-N 3.27Å; M522-G524 PolarHBondContact O-N 2.86Å; M522-L582 HydrophobicContact CB-CB 4.33Å; M522-L582 HydrophobicContact CB-CD2 4.02Å; M522-L582 HydrophobicContact CE-CD2 3.5Å; M522-L582 HydrophobicContact CG-CB 4.14Å; M522-L582 HydrophobicContact CG-CD2 3.82Å; M522-L582 HydrophobicContact SD-CD2 4.44Å; M522-F630 HydrophobicContact CE-CD1 4.15Å; M522-F630 HydrophobicContact CE-CE1 3.53Å; M522-F630 HydrophobicContact CE-CZ 4.01Å; M522-F630 HydrophobicContact CG-CE1 4.16Å; M522-F630 HydrophobicContact CG-CE2 4.42Å; M522-F630 HydrophobicContact CG-CZ 3.64Å; M522-F630 HydrophobicContact SD-CE1 3.61Å; M522-F630 HydrophobicContact SD-CZ 3.7Å |
| 523 | F | 97.6 | Very high | 97.5 | Very high | 13 Ų | 13 | 21 Ų | 21 | 6% | 0.057 | 11% | 0.111 | C | C | . | . | S | Bend | trans | 45.6 | 48.2 | 177.1 | 40.3 | -98.7 | 0 | 0 | 0 | 113.1 | A498 S499 L582 V590 H619 G620 | A498-F523 HydrophobicContact CB-CE2 3.62Å; A498-F523 HydrophobicContact CB-CZ 3.8Å; S499-F523 WeakPolarHBondContact CA-O 2.94Å; F523-L582 HydrophobicContact CD1-CD2 4.45Å; F523-L582 HydrophobicContact CE1-CD2 4.13Å; F523-L582 PolarHBondContact N-O 3.25Å; F523-V590 WeakPolarHBondContact O-CG1 3.32Å; F523-H619 AromaticContact CD2-CE1 3.32Å; F523-H619 WeakPolarHBondContact CD2-CE1 3.3Å; F523-H619 AromaticContact CD2-ND1 3.62Å; F523-H619 AromaticContact CD2-NE2 3.82Å; F523-H619 AromaticContact CE2-CE1 3.97Å; F523-G620 VanDerWaalsContact CE1-CA 3.48Å |
| 524 | G | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -79.2 | 134.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | S499 D521 M522 T526 | S499-G524 WeakPolarHBondContact O-CA 3.18Å; D521-G524 VanDerWaalsContact OD1-CA 3.25Å; D521-G524 WeakPolarHBondContact OD1-CA 3.46Å; D521-G524 PolarHBondContact OD1-N 3.22Å; M522-G524 VanDerWaalsContact C-N 3.27Å; M522-G524 PolarHBondContact O-N 2.86Å; G524-T526 PolarHBondContact O-N 3.5Å | ||
| 525 | P | 98.2 | Very high | 97.2 | Very high | 4 Ų | 4 | 15.4 Ų | 15.4 | 3% | 0.026 | 9% | 0.086 | C | C | . | . | trans | -65.7 | 131.8 | 171.2 | 25.2 | -29.5 | 0 | 0 | 0 | 109.6 | W467 S499 Y503 T531 V590 | W467-P525 HydrophobicContact CZ3-CG 4.07Å; S499-P525 WeakPolarHBondContact O-CD 3.21Å; Y503-P525 WeakPolarHBondContact CD2-O 3.27Å; Y503-P525 HydrophobicContact CG-CG 4.5Å; P525-T531 HydrophobicContact CB-CG2 3.95Å; P525-T531 WeakPolarHBondContact CB-OG1 3.43Å; P525-V590 HydrophobicContact CB-CG1 4.44Å | ||
| 526 | T | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -108 | -25.1 | -176.8 | 62.9 | 0 | 0 | 0 | 0 | 111.9 | L506 G524 S567 P568 Y569 E594 Q597 L598 | L506-T526 HydrophobicContact CD1-CG2 3.28Å; G524-T526 PolarHBondContact O-N 3.5Å; T526-S567 CarbonylContact O-C 3.49Å; T526-P568 VanDerWaalsContact O-CD 3.24Å; T526-P568 WeakPolarHBondContact O-CD 3.21Å; T526-Y569 VanDerWaalsContact O-CB 3.22Å; T526-Y569 WeakPolarHBondContact O-CB 3.28Å; T526-Y569 PolarHBondContact O-N 3.41Å; T526-E594 VanDerWaalsContact CG2-O 3.27Å; T526-E594 WeakPolarHBondContact CG2-O 3.38Å; T526-E594 PolarHBondContact N-OE2 3.31Å; T526-E594 PolarHBondContact OG1-O 2.67Å; T526-E594 PolarHBondContact OG1-OE2 2.96Å; T526-Q597 WeakPolarHBondContact OG1-CG 3.45Å; T526-Q597 PolarHBondContact OG1-NE2 2.82Å; T526-L598 HydrophobicContact CG2-CB 3.85Å; T526-L598 HydrophobicContact CG2-CD1 4.41Å; T526-L598 HydrophobicContact CG2-CD2 4.17Å; T526-L598 HydrophobicContact CG2-CG 4.36Å |
| 527 | N | 98 | Very high | 96.1 | Very high | 11 Ų | 11 | 18.9 Ų | 18.9 | 6% | 0.059 | 10% | 0.104 | C | C | . | . | trans | -129.2 | 108.3 | 174.6 | 179.8 | 4.8 | 0 | 0 | 0 | 110.4 | V529 T530 T531 Y569 E594 | N527-V529 PolarHBondContact O-N 3.39Å; N527-V529 VanDerWaalsContact OD1-CB 3.27Å; N527-V529 WeakPolarHBondContact OD1-CB 3.36Å; N527-V529 PolarHBondContact OD1-N 3.27Å; N527-T530 VanDerWaalsContact CB-OG1 3.28Å; N527-T530 WeakPolarHBondContact CB-OG1 3.32Å; N527-T530 PolarHBondContact O-N 2.82Å; N527-T530 PolarHBondContact O-OG1 2.99Å; N527-T531 WeakPolarHBondContact O-CB 3.49Å; N527-T531 PolarHBondContact O-N 3.5Å; N527-T531 PolarHBondContact O-OG1 3.09Å; N527-Y569 HydrophobicContact CB-CD1 4.45Å; N527-Y569 HydrophobicContact CB-CG 4.26Å; N527-E594 PolarHBondContact N-OE2 2.78Å | ||
| 528 | L | 97.3 | Very high | 95.3 | Very high | 3 Ų | 3 | 21.7 Ų | 21.7 | 2% | 0.016 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.6 | -20.3 | -178.4 | -57.9 | -175.8 | 0 | 0 | 0 | 112.6 | W467 Y503 F532 L563 R566 S567 | W467-L528 HydrophobicContact CB-CD1 4.37Å; W467-L528 HydrophobicContact CE3-CD1 4.15Å; W467-L528 HydrophobicContact CE3-CD2 3.64Å; W467-L528 HydrophobicContact CZ3-CD2 3.63Å; Y503-L528 HydrophobicContact CD2-CD2 4.03Å; Y503-L528 HydrophobicContact CE2-CD1 3.99Å; Y503-L528 HydrophobicContact CE2-CD2 3.82Å; Y503-L528 HydrophobicContact CE2-CG 4.03Å; L528-F532 VanDerWaalsContact O-CB 3.28Å; L528-F532 WeakPolarHBondContact O-CB 3.46Å; L528-F532 PolarHBondContact O-N 3.02Å; L528-L563 HydrophobicContact CB-CB 4.17Å; L528-L563 HydrophobicContact CB-CD2 3.99Å; L528-L563 HydrophobicContact CD1-CD2 4.44Å; L528-R566 HydrophobicContact CD1-CB 3.74Å; L528-S567 PolarHBondContact N-OG 3.42Å |
| 529 | V | 97.5 | Very high | 94.9 | Very high | 6 Ų | 6 | 26.4 Ų | 26.4 | 4% | 0.036 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.6 | -53.3 | 172.4 | 178 | 0 | 0 | 0 | 0 | 109.9 | N527 F532 Q533 V554 L563 R564 | N527-V529 PolarHBondContact O-N 3.39Å; N527-V529 VanDerWaalsContact OD1-CB 3.27Å; N527-V529 WeakPolarHBondContact OD1-CB 3.36Å; N527-V529 PolarHBondContact OD1-N 3.27Å; V529-F532 PolarHBondContact O-N 2.95Å; V529-Q533 VanDerWaalsContact O-CG 3.28Å; V529-Q533 WeakPolarHBondContact O-CG 3.11Å; V529-Q533 PolarHBondContact O-N 3.25Å; V529-V554 HydrophobicContact CB-CG1 4.27Å; V529-V554 HydrophobicContact CG1-CG1 3.76Å; V529-L563 HydrophobicContact CG2-CB 3.87Å; V529-R564 HydrophobicContact CG2-CG 3.81Å |
| 530 | T | 96.7 | Very high | 94.5 | Very high | 28 Ų | 28 | 28.9 Ų | 28.9 | 17% | 0.172 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.7 | -41.4 | 179.7 | 45 | 0 | 0 | 0 | 0 | 110.9 | N527 F532 Q533 S534 E594 | N527-T530 VanDerWaalsContact CB-OG1 3.28Å; N527-T530 WeakPolarHBondContact CB-OG1 3.32Å; N527-T530 PolarHBondContact O-N 2.82Å; N527-T530 PolarHBondContact O-OG1 2.99Å; T530-F532 VanDerWaalsContact C-N 3.3Å; T530-F532 PolarHBondContact O-N 2.83Å; T530-Q533 CarbonylContact O-C 3.28Å; T530-Q533 PolarHBondContact O-N 2.79Å; T530-S534 WeakPolarHBondContact O-CB 3.29Å; T530-S534 PolarHBondContact O-N 2.57Å; T530-S534 PolarHBondContact O-OG 3.34Å; T530-E594 VanDerWaalsContact CB-OE1 3.31Å; T530-E594 WeakPolarHBondContact CB-OE1 3.11Å; T530-E594 PolarHBondContact OG1-OE1 3.17Å |
| 531 | T | 95.4 | Very high | 94 | Very high | 24 Ų | 24 | 30 Ų | 30 | 15% | 0.147 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -54.6 | -44.2 | 174.6 | -60.5 | 0 | 0 | 0 | 0 | 112 | P525 N527 M535 | P525-T531 HydrophobicContact CB-CG2 3.95Å; P525-T531 WeakPolarHBondContact CB-OG1 3.43Å; N527-T531 WeakPolarHBondContact O-CB 3.49Å; N527-T531 PolarHBondContact O-N 3.5Å; N527-T531 PolarHBondContact O-OG1 3.09Å; T531-M535 PolarHBondContact O-N 3.46Å |
| 532 | F | 95.1 | Very high | 93.7 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.018 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -70.4 | -35.9 | 177 | -174.7 | -98.3 | 0 | 0 | 0 | 112.6 | L528 V529 T530 M535 R543 I546 A547 L550 V554 | L528-F532 VanDerWaalsContact O-CB 3.28Å; L528-F532 WeakPolarHBondContact O-CB 3.46Å; L528-F532 PolarHBondContact O-N 3.02Å; V529-F532 PolarHBondContact O-N 2.95Å; T530-F532 VanDerWaalsContact C-N 3.3Å; T530-F532 PolarHBondContact O-N 2.83Å; F532-M535 HydrophobicContact CD2-CE 3.57Å; F532-M535 HydrophobicContact CE2-CE 3.66Å; F532-M535 HydrophobicContact CG-CE 4.19Å; F532-M535 HydrophobicContact CZ-CE 4.34Å; F532-M535 WeakPolarHBondContact O-CE 3.14Å; F532-R543 HydrophobicContact CE2-CG 4.48Å; F532-R543 HydrophobicContact CZ-CG 4.08Å; F532-I546 HydrophobicContact CD2-CG2 4.43Å; F532-I546 HydrophobicContact CE2-CG2 4.42Å; F532-A547 HydrophobicContact CE2-CB 3.81Å; F532-A547 HydrophobicContact CZ-CB 3.94Å; F532-L550 HydrophobicContact CB-CD1 4.5Å; F532-L550 HydrophobicContact CD2-CD1 3.66Å; F532-L550 HydrophobicContact CE2-CD1 4.4Å; F532-L550 HydrophobicContact CG-CD1 4.5Å; F532-V554 HydrophobicContact CB-CG1 4.42Å; F532-V554 HydrophobicContact CD1-CB 4.4Å; F532-V554 HydrophobicContact CD1-CG1 3.95Å; F532-V554 HydrophobicContact CD1-CG2 3.78Å; F532-V554 HydrophobicContact CE1-CG2 4.06Å |
| 533 | Q | 94.9 | Very high | 93.5 | Very high | 116 Ų | 116 | 36 Ų | 36 | 54% | 0.542 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -71.4 | -33.2 | 178 | -73.5 | 171.4 | -18.4 | 0 | 0 | 112.8 | V529 T530 V554 | V529-Q533 VanDerWaalsContact O-CG 3.28Å; V529-Q533 WeakPolarHBondContact O-CG 3.11Å; V529-Q533 PolarHBondContact O-N 3.25Å; T530-Q533 CarbonylContact O-C 3.28Å; T530-Q533 PolarHBondContact O-N 2.79Å; Q533-V554 HydrophobicContact CG-CG1 4.32Å; Q533-V554 HydrophobicContact CG-CG2 4Å |
| 534 | S | 94.1 | Very high | 93.4 | Very high | 33 Ų | 33 | 38 Ų | 38 | 23% | 0.231 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 19.4 | -173.5 | 73.1 | 0 | 0 | 0 | 0 | 114 | T530 | T530-S534 WeakPolarHBondContact O-CB 3.29Å; T530-S534 PolarHBondContact O-N 2.57Å; T530-S534 PolarHBondContact O-OG 3.34Å |
| 535 | M | 92.1 | Very high | 93.2 | Very high | 17 Ų | 17 | 38.2 Ų | 38.2 | 8% | 0.084 | 20% | 0.199 | C | C | . | . | trans | -57.6 | 144.1 | 178.9 | 61.3 | 175.3 | 57.6 | 0 | 0 | 111.8 | T531 F532 W539 L540 R543 I546 | T531-M535 PolarHBondContact O-N 3.46Å; F532-M535 HydrophobicContact CD2-CE 3.57Å; F532-M535 HydrophobicContact CE2-CE 3.66Å; F532-M535 HydrophobicContact CG-CE 4.19Å; F532-M535 HydrophobicContact CZ-CE 4.34Å; F532-M535 WeakPolarHBondContact O-CE 3.14Å; M535-W539 HydrophobicContact CB-CE3 4.16Å; M535-L540 HydrophobicContact CG-CD2 3.85Å; M535-L540 HydrophobicContact SD-CD2 3.91Å; M535-R543 HydrophobicContact CE-CG 4.19Å; M535-R543 HydrophobicContact SD-CB 4.1Å; M535-R543 HydrophobicContact SD-CG 3.97Å; M535-I546 HydrophobicContact CE-CD1 4.47Å; M535-I546 HydrophobicContact CE-CG2 4.02Å | ||
| 536 | P | 89.6 | Confident | 93.1 | Very high | 12 Ų | 12 | 39.5 Ų | 39.5 | 8% | 0.078 | 21% | 0.206 | C | C | . | . | trans | -51.4 | 147.2 | 176.1 | -23.3 | 24.5 | 0 | 0 | 0 | 113.3 | S538 W539 L540 D588 R589 | P536-S538 PolarHBondContact O-N 3.43Å; P536-S538 VanDerWaalsContact O-N 3.16Å; P536-W539 HydrophobicContact CB-CD2 4.33Å; P536-W539 HydrophobicContact CB-CG 4.18Å; P536-W539 HydrophobicContact CG-CD2 3.76Å; P536-W539 HydrophobicContact CG-CE3 4.08Å; P536-W539 HydrophobicContact CG-CG 4.13Å; P536-W539 HydrophobicContact CG-CH2 4.41Å; P536-W539 HydrophobicContact CG-CZ2 4.15Å; P536-W539 HydrophobicContact CG-CZ3 4.38Å; P536-W539 WeakPolarHBondContact O-CB 3.43Å; P536-W539 PolarHBondContact O-N 3.36Å; P536-L540 PolarHBondContact O-N 2.96Å; P536-D588 WeakPolarHBondContact CG-O 3.34Å; P536-R589 HydrophobicContact CG-CB 4.45Å; P536-R589 HydrophobicContact CG-CG 4.13Å | ||
| 537 | I | 84.1 | Confident | 93.1 | Very high | 81 Ų | 81 | 40.2 Ų | 40.2 | 42% | 0.415 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -53.1 | -39.5 | 175 | -66.7 | 172.1 | 0 | 0 | 0 | 111.1 | E152 W539 L540 | E152-I537 HydrophobicContact CG-CG2 3.9Å; I537-W539 PolarHBondContact O-N 3.22Å; I537-W539 VanDerWaalsContact O-N 3.11Å; I537-L540 HydrophobicContact CG2-CD1 4.49Å; I537-L540 WeakPolarHBondContact O-CB 3.24Å; I537-L540 PolarHBondContact O-N 2.95Å; I537-L540 VanDerWaalsContact O-N 3.14Å |
| 538 | S | 82 | Confident | 93 | Very high | 87 Ų | 87 | 43 Ų | 43 | 61% | 0.608 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -62.2 | -17.6 | 177.7 | 55.5 | 0 | 0 | 0 | 0 | 114.5 | P536 | P536-S538 PolarHBondContact O-N 3.43Å; P536-S538 VanDerWaalsContact O-N 3.16Å |
| 539 | W | 89.4 | Confident | 93 | Very high | 100 Ų | 100 | 44.3 Ų | 44.3 | 38% | 0.379 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -96.7 | -14.6 | 179.4 | -63 | 1.1 | 0 | 0 | 0 | 112.8 | M535 P536 I537 P541 M542 R543 I546 R589 | M535-W539 HydrophobicContact CB-CE3 4.16Å; P536-W539 HydrophobicContact CB-CD2 4.33Å; P536-W539 HydrophobicContact CB-CG 4.18Å; P536-W539 HydrophobicContact CG-CD2 3.76Å; P536-W539 HydrophobicContact CG-CE3 4.08Å; P536-W539 HydrophobicContact CG-CG 4.13Å; P536-W539 HydrophobicContact CG-CH2 4.41Å; P536-W539 HydrophobicContact CG-CZ2 4.15Å; P536-W539 HydrophobicContact CG-CZ3 4.38Å; P536-W539 WeakPolarHBondContact O-CB 3.43Å; P536-W539 PolarHBondContact O-N 3.36Å; I537-W539 PolarHBondContact O-N 3.22Å; I537-W539 VanDerWaalsContact O-N 3.11Å; W539-P541 VanDerWaalsContact C-CD 3.42Å; W539-P541 VanDerWaalsContact C-N 3.3Å; W539-M542 CarbonylContact O-C 3.58Å; W539-M542 WeakPolarHBondContact O-CA 3.35Å; W539-M542 PolarHBondContact O-N 3.03Å; W539-R543 PolarHBondContact O-N 3.28Å; W539-I546 HydrophobicContact CB-CD1 4Å; W539-I546 HydrophobicContact CE3-CD1 4.37Å; W539-R589 HydrophobicContact CH2-CB 4.08Å; W539-R589 HydrophobicContact CH2-CG 4.28Å; W539-R589 HydrophobicContact CZ2-CB 4.28Å; W539-R589 HydrophobicContact CZ2-CG 3.97Å |
| 540 | L | 89.5 | Confident | 92.9 | Very high | 52 Ų | 52 | 44.7 Ų | 44.7 | 27% | 0.272 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -55.5 | -37.4 | 179.8 | -64.1 | 176.8 | 0 | 0 | 0 | 113.5 | E152 M535 P536 I537 M542 R543 | E152-L540 WeakPolarHBondContact OE1-CD1 3.09Å; M535-L540 HydrophobicContact CG-CD2 3.85Å; M535-L540 HydrophobicContact SD-CD2 3.91Å; P536-L540 PolarHBondContact O-N 2.96Å; I537-L540 HydrophobicContact CG2-CD1 4.49Å; I537-L540 WeakPolarHBondContact O-CB 3.24Å; I537-L540 PolarHBondContact O-N 2.95Å; I537-L540 VanDerWaalsContact O-N 3.14Å; L540-M542 PolarHBondContact O-N 3.1Å; L540-M542 VanDerWaalsContact O-N 3.1Å; L540-R543 VanDerWaalsContact O-CB 3.23Å; L540-R543 WeakPolarHBondContact O-CB 3.43Å; L540-R543 PolarHBondContact O-N 2.91Å; L540-R543 VanDerWaalsContact O-N 3.1Å |
| 541 | P | 88.9 | Confident | 92.9 | Very high | 24 Ų | 24 | 45.4 Ų | 45.4 | 16% | 0.156 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -63.7 | -13.7 | 173.9 | -24.5 | 35.9 | 0 | 0 | 0 | 115.1 | E152 H176 E192 W539 | E152-P541 HydrophobicContact CB-CG 4.39Å; H176-P541 HydrophobicContact CB-CB 3.71Å; H176-P541 HydrophobicContact CB-CG 3.99Å; E192-P541 WeakPolarHBondContact CB-O 3.28Å; W539-P541 VanDerWaalsContact C-CD 3.42Å; W539-P541 VanDerWaalsContact C-N 3.3Å |
| 542 | M | 91.7 | Very high | 92.8 | Very high | 75 Ų | 75 | 44.9 Ų | 44.9 | 37% | 0.369 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -114 | 14.4 | 178.1 | -62.7 | 177.3 | 62.1 | 0 | 0 | 112.4 | E192 W539 L540 N544 S545 I546 | E192-M542 WeakPolarHBondContact OE1-CA 3.1Å; E192-M542 VanDerWaalsContact OE2-C 3.23Å; E192-M542 WeakPolarHBondContact OE2-CA 3.39Å; W539-M542 CarbonylContact O-C 3.58Å; W539-M542 WeakPolarHBondContact O-CA 3.35Å; W539-M542 PolarHBondContact O-N 3.03Å; L540-M542 PolarHBondContact O-N 3.1Å; L540-M542 VanDerWaalsContact O-N 3.1Å; M542-N544 VanDerWaalsContact C-N 3.26Å; M542-N544 PolarHBondContact O-N 3.47Å; M542-S545 PolarHBondContact O-N 2.9Å; M542-S545 PolarHBondContact O-OG 2.83Å; M542-I546 HydrophobicContact CB-CD1 4.3Å; M542-I546 VanDerWaalsContact O-CG1 3.3Å; M542-I546 WeakPolarHBondContact O-CG1 3.33Å; M542-I546 PolarHBondContact O-N 3.08Å |
| 543 | R | 94.1 | Very high | 92.7 | Very high | 65 Ų | 65 | 46.3 Ų | 46.3 | 25% | 0.245 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.2 | -37.6 | -172.3 | 179.3 | -178.3 | 179.4 | 102.6 | -2 | 112.6 | E192 F532 M535 W539 L540 I546 A547 | E192-R543 PolarHBondContact OE2-N 3.43Å; F532-R543 HydrophobicContact CE2-CG 4.48Å; F532-R543 HydrophobicContact CZ-CG 4.08Å; M535-R543 HydrophobicContact CE-CG 4.19Å; M535-R543 HydrophobicContact SD-CB 4.1Å; M535-R543 HydrophobicContact SD-CG 3.97Å; W539-R543 PolarHBondContact O-N 3.28Å; L540-R543 VanDerWaalsContact O-CB 3.23Å; L540-R543 WeakPolarHBondContact O-CB 3.43Å; L540-R543 PolarHBondContact O-N 2.91Å; L540-R543 VanDerWaalsContact O-N 3.1Å; R543-I546 PolarHBondContact O-N 3Å; R543-A547 PolarHBondContact O-N 2.8Å |
| 544 | N | 95.5 | Very high | 92.6 | Very high | 57 Ų | 57 | 42.1 Ų | 42.1 | 31% | 0.305 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -76.6 | -39.8 | -175.1 | -56.7 | -47.6 | 0 | 0 | 0 | 111.1 | E192 S193 S194 M542 I546 A547 I548 | E192-N544 WeakPolarHBondContact OE2-CA 3.21Å; E192-N544 VanDerWaalsContact OE2-CB 3.27Å; E192-N544 WeakPolarHBondContact OE2-CB 3.15Å; E192-N544 PolarHBondContact OE2-N 2.91Å; S193-N544 PolarHBondContact O-ND2 2.85Å; S194-N544 WeakPolarHBondContact CA-ND2 3.46Å; M542-N544 VanDerWaalsContact C-N 3.26Å; M542-N544 PolarHBondContact O-N 3.47Å; N544-I546 VanDerWaalsContact C-N 3.33Å; N544-I546 PolarHBondContact O-N 3.42Å; N544-A547 PolarHBondContact O-N 2.78Å; N544-I548 WeakPolarHBondContact O-CG1 3.37Å; N544-I548 PolarHBondContact O-N 2.97Å |
| 545 | S | 96.1 | Very high | 92.5 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.7 | -36.1 | 172 | 61.3 | 0 | 0 | 0 | 0 | 112.2 | E192 M542 I548 R549 | E192-S545 WeakPolarHBondContact OE1-CB 3.45Å; E192-S545 PolarHBondContact OE1-N 2.93Å; E192-S545 PolarHBondContact OE1-OG 3.37Å; E192-S545 PolarHBondContact OE2-N 2.83Å; M542-S545 PolarHBondContact O-N 2.9Å; M542-S545 PolarHBondContact O-OG 2.83Å; S545-I548 PolarHBondContact O-N 3.01Å; S545-R549 WeakPolarHBondContact O-CB 3.4Å; S545-R549 VanDerWaalsContact O-CD 3.3Å; S545-R549 WeakPolarHBondContact O-CD 3.14Å; S545-R549 WeakPolarHBondContact O-CG 3.21Å; S545-R549 PolarHBondContact O-N 3.46Å |
| 546 | I | 96 | Very high | 92.6 | Very high | 32 Ų | 32 | 48.5 Ų | 48.5 | 16% | 0.164 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.3 | -44.8 | 172.2 | -69.1 | 167.3 | 0 | 0 | 0 | 110.8 | F532 M535 W539 M542 R543 N544 I548 R549 L550 | F532-I546 HydrophobicContact CD2-CG2 4.43Å; F532-I546 HydrophobicContact CE2-CG2 4.42Å; M535-I546 HydrophobicContact CE-CD1 4.47Å; M535-I546 HydrophobicContact CE-CG2 4.02Å; W539-I546 HydrophobicContact CB-CD1 4Å; W539-I546 HydrophobicContact CE3-CD1 4.37Å; M542-I546 HydrophobicContact CB-CD1 4.3Å; M542-I546 VanDerWaalsContact O-CG1 3.3Å; M542-I546 WeakPolarHBondContact O-CG1 3.33Å; M542-I546 PolarHBondContact O-N 3.08Å; R543-I546 PolarHBondContact O-N 3Å; N544-I546 VanDerWaalsContact C-N 3.33Å; N544-I546 PolarHBondContact O-N 3.42Å; I546-I548 VanDerWaalsContact C-N 3.33Å; I546-I548 PolarHBondContact O-N 3.39Å; I546-R549 PolarHBondContact O-N 3.3Å; I546-L550 HydrophobicContact CG2-CD1 3.97Å; I546-L550 HydrophobicContact CG2-CG 4.46Å; I546-L550 WeakPolarHBondContact O-CG 3.45Å; I546-L550 PolarHBondContact O-N 2.99Å |
| 547 | A | 96.5 | Very high | 92.9 | Very high | 14 Ų | 14 | 52.2 Ų | 52.2 | 12% | 0.116 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.1 | -42.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F532 R543 N544 L550 G551 A552 | F532-A547 HydrophobicContact CE2-CB 3.81Å; F532-A547 HydrophobicContact CZ-CB 3.94Å; R543-A547 PolarHBondContact O-N 2.8Å; N544-A547 PolarHBondContact O-N 2.78Å; A547-L550 PolarHBondContact O-N 2.82Å; A547-G551 PolarHBondContact O-N 3.06Å; A547-A552 PolarHBondContact O-N 2.86Å; A547-A552 VanDerWaalsContact O-N 3.09Å |
| 548 | I | 96.5 | Very high | 93.5 | Very high | 70 Ų | 70 | 55 Ų | 55 | 36% | 0.359 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 176.4 | -70.7 | 165.4 | 0 | 0 | 0 | 111.3 | D195 V225 F464 N544 S545 I546 G551 | D195-I548 WeakPolarHBondContact O-CD1 3.28Å; V225-I548 HydrophobicContact CB-CG2 4.25Å; V225-I548 HydrophobicContact CG1-CG2 4.27Å; V225-I548 HydrophobicContact CG2-CB 4.08Å; V225-I548 HydrophobicContact CG2-CD1 3.56Å; V225-I548 HydrophobicContact CG2-CG1 4.42Å; V225-I548 HydrophobicContact CG2-CG2 3.93Å; F464-I548 HydrophobicContact CD2-CG2 4.23Å; N544-I548 WeakPolarHBondContact O-CG1 3.37Å; N544-I548 PolarHBondContact O-N 2.97Å; S545-I548 PolarHBondContact O-N 3.01Å; I546-I548 VanDerWaalsContact C-N 3.33Å; I546-I548 PolarHBondContact O-N 3.39Å; I548-G551 PolarHBondContact O-N 3.33Å; I548-G551 VanDerWaalsContact O-N 3.1Å |
| 549 | R | 96.9 | Very high | 94.3 | Very high | 31 Ų | 31 | 51.2 Ų | 51.2 | 12% | 0.117 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.6 | -38.7 | 177.3 | -71.6 | 160.6 | -174.1 | -172 | 11.2 | 112.5 | V225 H423 F464 G465 S545 I546 G551 | V225-R549 HydrophobicContact CG1-CG 3.86Å; H423-R549 WeakPolarHBondContact NE2-CB 3.09Å; H423-R549 WeakPolarHBondContact NE2-CD 3.28Å; H423-R549 WeakPolarHBondContact NE2-CG 3.35Å; F464-R549 WeakPolarHBondContact CA-O 3.46Å; F464-R549 HydrophobicContact CD1-CB 4.35Å; F464-R549 HydrophobicContact CD1-CG 3.93Å; F464-R549 HydrophobicContact CE1-CG 3.65Å; F464-R549 HydrophobicContact CZ-CG 4Å; G465-R549 PolarHBondContact N-O 3.33Å; S545-R549 WeakPolarHBondContact O-CB 3.4Å; S545-R549 VanDerWaalsContact O-CD 3.3Å; S545-R549 WeakPolarHBondContact O-CD 3.14Å; S545-R549 WeakPolarHBondContact O-CG 3.21Å; S545-R549 PolarHBondContact O-N 3.46Å; I546-R549 PolarHBondContact O-N 3.3Å; R549-G551 VanDerWaalsContact C-N 3.25Å |
| 550 | L | 96.3 | Very high | 94.7 | Very high | 13 Ų | 13 | 48.2 Ų | 48.2 | 7% | 0.068 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.7 | -22.5 | 172 | -73.8 | 171.1 | 0 | 0 | 0 | 112.5 | W467 F532 I546 A547 A552 F562 L563 | W467-L550 HydrophobicContact CD2-CD2 3.79Å; W467-L550 HydrophobicContact CE3-CD2 4.22Å; W467-L550 HydrophobicContact CG-CD2 4.19Å; W467-L550 HydrophobicContact CH2-CD2 4.26Å; W467-L550 HydrophobicContact CZ2-CD2 3.83Å; W467-L550 HydrophobicContact CZ3-CD2 4.45Å; F532-L550 HydrophobicContact CB-CD1 4.5Å; F532-L550 HydrophobicContact CD2-CD1 3.66Å; F532-L550 HydrophobicContact CE2-CD1 4.4Å; F532-L550 HydrophobicContact CG-CD1 4.5Å; I546-L550 HydrophobicContact CG2-CD1 3.97Å; I546-L550 HydrophobicContact CG2-CG 4.46Å; I546-L550 WeakPolarHBondContact O-CG 3.45Å; I546-L550 PolarHBondContact O-N 2.99Å; A547-L550 PolarHBondContact O-N 2.82Å; L550-A552 VanDerWaalsContact C-N 3.33Å; L550-F562 WeakPolarHBondContact O-CE1 3.2Å; L550-L563 HydrophobicContact CB-CD2 4.42Å |
| 551 | G | 95.4 | Very high | 95.1 | Very high | 44 Ų | 44 | 49.1 Ų | 49.1 | 45% | 0.454 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | -0 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | A547 I548 R549 | A547-G551 PolarHBondContact O-N 3.06Å; I548-G551 PolarHBondContact O-N 3.33Å; I548-G551 VanDerWaalsContact O-N 3.1Å; R549-G551 VanDerWaalsContact C-N 3.25Å |
| 552 | A | 95.1 | Very high | 95.5 | Very high | 12 Ų | 12 | 50.7 Ų | 50.7 | 10% | 0.099 | 29% | 0.287 | C | S | . | . | trans | -161 | 166.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A547 L550 F562 L563 | A547-A552 PolarHBondContact O-N 2.86Å; A547-A552 VanDerWaalsContact O-N 3.09Å; L550-A552 VanDerWaalsContact C-N 3.33Å; A552-F562 HydrophobicContact CB-CB 4.11Å; A552-F562 HydrophobicContact CB-CD1 3.42Å; A552-F562 VanDerWaalsContact CB-CD1 3.42Å; A552-F562 HydrophobicContact CB-CE1 4.19Å; A552-F562 HydrophobicContact CB-CG 4.07Å; A552-L563 HydrophobicContact CB-CD2 4.01Å; A552-L563 HydrophobicContact CB-CG 3.91Å | ||
| 553 | T | 92.1 | Very high | 95.8 | Very high | 35 Ų | 35 | 47.1 Ų | 47.1 | 22% | 0.215 | 27% | 0.269 | C | S | . | . | trans | -134.9 | 150.8 | 172.4 | 164.4 | 0 | 0 | 0 | 0 | 109.3 | N555 G559 D560 | T553-N555 HydrophobicContact CG2-CB 4.28Å; T553-N555 PolarHBondContact O-N 3.33Å; T553-N555 VanDerWaalsContact O-N 3.16Å; T553-N555 WeakPolarHBondContact OG1-CB 3.46Å; T553-N555 VanDerWaalsContact OG1-CG 3.3Å; T553-N555 PolarHBondContact OG1-N 2.63Å; T553-N555 VanDerWaalsContact OG1-N 3.16Å; T553-N555 PolarHBondContact OG1-ND2 3.13Å; T553-G559 CarbonylContact O-C 3.56Å; T553-G559 VanDerWaalsContact O-C 3.3Å; T553-G559 VanDerWaalsContact O-CA 3.25Å; T553-G559 WeakPolarHBondContact O-CA 3.22Å; T553-D560 PolarHBondContact O-N 2.85Å | ||
| 554 | V | 92.6 | Very high | 96 | Very high | 27 Ų | 27 | 48.8 Ų | 48.8 | 16% | 0.164 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -4.4 | 174.2 | -57.4 | 0 | 0 | 0 | 0 | 113.6 | V529 F532 Q533 T556 L563 | V529-V554 HydrophobicContact CB-CG1 4.27Å; V529-V554 HydrophobicContact CG1-CG1 3.76Å; F532-V554 HydrophobicContact CB-CG1 4.42Å; F532-V554 HydrophobicContact CD1-CB 4.4Å; F532-V554 HydrophobicContact CD1-CG1 3.95Å; F532-V554 HydrophobicContact CD1-CG2 3.78Å; F532-V554 HydrophobicContact CE1-CG2 4.06Å; Q533-V554 HydrophobicContact CG-CG1 4.32Å; Q533-V554 HydrophobicContact CG-CG2 4Å; V554-T556 VanDerWaalsContact C-N 3.29Å; V554-T556 PolarHBondContact O-N 3.1Å; V554-L563 HydrophobicContact CG1-CD1 3.66Å |
| 555 | N | 92.3 | Very high | 96.1 | Very high | 119 Ų | 119 | 48.6 Ų | 48.6 | 64% | 0.636 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -9.6 | -176.4 | -64.2 | -9.1 | 0 | 0 | 0 | 113.6 | T553 | T553-N555 HydrophobicContact CG2-CB 4.28Å; T553-N555 PolarHBondContact O-N 3.33Å; T553-N555 VanDerWaalsContact O-N 3.16Å; T553-N555 WeakPolarHBondContact OG1-CB 3.46Å; T553-N555 VanDerWaalsContact OG1-CG 3.3Å; T553-N555 PolarHBondContact OG1-N 2.63Å; T553-N555 VanDerWaalsContact OG1-N 3.16Å; T553-N555 PolarHBondContact OG1-ND2 3.13Å |
| 556 | T | 94.4 | Very high | 96.1 | Very high | 65 Ų | 65 | 51.4 Ų | 51.4 | 40% | 0.399 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -125.6 | 150.4 | 175.5 | 67.1 | 0 | 0 | 0 | 0 | 110.1 | V554 E558 G559 D560 | V554-T556 VanDerWaalsContact C-N 3.29Å; V554-T556 PolarHBondContact O-N 3.1Å; T556-E558 VanDerWaalsContact C-N 3.27Å; T556-E558 PolarHBondContact O-N 3.46Å; T556-G559 PolarHBondContact O-N 2.9Å; T556-G559 PolarHBondContact OG1-N 3.12Å; T556-D560 PolarHBondContact O-N 3.02Å |
| 557 | S | 96.3 | Very high | 96.2 | Very high | 90 Ų | 90 | 49.9 Ų | 49.9 | 63% | 0.629 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -61.2 | -38.3 | 178 | -57.8 | 0 | 0 | 0 | 0 | 111.9 | S561 | S557-S561 VanDerWaalsContact O-CB 3.3Å; S557-S561 WeakPolarHBondContact O-CB 3.01Å; S557-S561 PolarHBondContact O-N 3.04Å; S557-S561 PolarHBondContact O-OG 2.74Å |
| 558 | E | 97 | Very high | 96.3 | Very high | 141 Ų | 141 | 49.2 Ų | 49.2 | 66% | 0.659 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -66.1 | -41.7 | 176 | -61.5 | 72.9 | -159.3 | 0 | 0 | 111 | T556 S561 F562 | T556-E558 VanDerWaalsContact C-N 3.27Å; T556-E558 PolarHBondContact O-N 3.46Å; E558-S561 PolarHBondContact O-N 2.84Å; E558-F562 WeakPolarHBondContact O-CB 3.41Å; E558-F562 PolarHBondContact O-N 3.23Å |
| 559 | G | 97.3 | Very high | 96.4 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 6% | 0.062 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.1 | -43.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | T553 T556 F562 L563 | T553-G559 CarbonylContact O-C 3.56Å; T553-G559 VanDerWaalsContact O-C 3.3Å; T553-G559 VanDerWaalsContact O-CA 3.25Å; T553-G559 WeakPolarHBondContact O-CA 3.22Å; T556-G559 PolarHBondContact O-N 2.9Å; T556-G559 PolarHBondContact OG1-N 3.12Å; G559-F562 PolarHBondContact O-N 3.32Å; G559-L563 WeakPolarHBondContact O-CG 3.4Å; G559-L563 PolarHBondContact O-N 3.43Å |
| 560 | D | 97.5 | Very high | 96.5 | Very high | 38 Ų | 38 | 52 Ų | 52 | 20% | 0.203 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.5 | -47.8 | 171 | 177.6 | 80 | 0 | 0 | 0 | 110.8 | T553 T556 F562 L563 R564 | T553-D560 PolarHBondContact O-N 2.85Å; T556-D560 PolarHBondContact O-N 3.02Å; D560-F562 VanDerWaalsContact C-N 3.31Å; D560-F562 PolarHBondContact O-N 2.77Å; D560-L563 PolarHBondContact O-N 2.75Å; D560-R564 VanDerWaalsContact O-CG 3.29Å; D560-R564 WeakPolarHBondContact O-CG 3.27Å; D560-R564 PolarHBondContact O-N 2.87Å; D560-R564 IonicContact OD1-CZ 2.73Å; D560-R564 IonicContact OD1-NE 3.55Å; D560-R564 PolarHBondContact OD1-NE 3.36Å; D560-R564 IonicContact OD1-NH2 3.11Å; D560-R564 PolarHBondContact OD1-NH2 2.89Å; D560-R564 WeakPolarHBondContact OD2-CD 3.42Å; D560-R564 IonicContact OD2-CZ 3.13Å; D560-R564 IonicContact OD2-NE 2.67Å; D560-R564 PolarHBondContact OD2-NE 2.85Å; D560-R564 IonicContact OD2-NH2 2.72Å |
| 561 | S | 97.9 | Very high | 96.5 | Very high | 70 Ų | 70 | 54.6 Ų | 54.6 | 49% | 0.49 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.5 | -41.6 | 177.1 | -61.5 | 0 | 0 | 0 | 0 | 112.2 | S557 E558 S565 | S557-S561 VanDerWaalsContact O-CB 3.3Å; S557-S561 WeakPolarHBondContact O-CB 3.01Å; S557-S561 PolarHBondContact O-N 3.04Å; S557-S561 PolarHBondContact O-OG 2.74Å; E558-S561 PolarHBondContact O-N 2.84Å; S561-S565 WeakPolarHBondContact O-CB 3.44Å; S561-S565 PolarHBondContact O-N 3.04Å |
| 562 | F | 98.2 | Very high | 96.6 | Very high | 57 Ų | 57 | 52.6 Ų | 52.6 | 25% | 0.25 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.2 | -50.7 | 175.9 | 178.3 | -90.5 | 0 | 0 | 0 | 111.6 | G465 L550 A552 E558 G559 D560 R564 S565 R566 | G465-F562 WeakPolarHBondContact O-CZ 3.49Å; L550-F562 WeakPolarHBondContact O-CE1 3.2Å; A552-F562 HydrophobicContact CB-CB 4.11Å; A552-F562 HydrophobicContact CB-CD1 3.42Å; A552-F562 VanDerWaalsContact CB-CD1 3.42Å; A552-F562 HydrophobicContact CB-CE1 4.19Å; A552-F562 HydrophobicContact CB-CG 4.07Å; E558-F562 WeakPolarHBondContact O-CB 3.41Å; E558-F562 PolarHBondContact O-N 3.23Å; G559-F562 PolarHBondContact O-N 3.32Å; D560-F562 VanDerWaalsContact C-N 3.31Å; D560-F562 PolarHBondContact O-N 2.77Å; F562-R564 VanDerWaalsContact C-N 3.32Å; F562-R564 PolarHBondContact O-N 2.84Å; F562-S565 WeakPolarHBondContact O-CB 3.4Å; F562-S565 PolarHBondContact O-N 2.86Å; F562-S565 PolarHBondContact O-OG 3Å; F562-R566 HydrophobicContact CD1-CG 4.44Å; F562-R566 HydrophobicContact CE1-CG 4Å; F562-R566 HydrophobicContact CE2-CG 4.47Å; F562-R566 HydrophobicContact CZ-CG 4.02Å; F562-R566 PolarHBondContact O-N 2.54Å; F562-R566 VanDerWaalsContact O-N 3.15Å |
| 563 | L | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.9 | -40.4 | 179.5 | -67.8 | 175.3 | 0 | 0 | 0 | 111.6 | L528 V529 L550 A552 V554 G559 D560 S565 R566 S567 | L528-L563 HydrophobicContact CB-CB 4.17Å; L528-L563 HydrophobicContact CB-CD2 3.99Å; L528-L563 HydrophobicContact CD1-CD2 4.44Å; V529-L563 HydrophobicContact CG2-CB 3.87Å; L550-L563 HydrophobicContact CB-CD2 4.42Å; A552-L563 HydrophobicContact CB-CD2 4.01Å; A552-L563 HydrophobicContact CB-CG 3.91Å; V554-L563 HydrophobicContact CG1-CD1 3.66Å; G559-L563 WeakPolarHBondContact O-CG 3.4Å; G559-L563 PolarHBondContact O-N 3.43Å; D560-L563 PolarHBondContact O-N 2.75Å; L563-S565 VanDerWaalsContact C-N 3.34Å; L563-S565 PolarHBondContact O-N 3.21Å; L563-R566 PolarHBondContact O-N 3.13Å; L563-S567 WeakPolarHBondContact O-CB 3.03Å; L563-S567 PolarHBondContact O-N 3Å; L563-S567 PolarHBondContact O-OG 2.8Å |
| 564 | R | 97.8 | Very high | 96.9 | Very high | 101 Ų | 101 | 62.5 Ų | 62.5 | 38% | 0.381 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 172.8 | -68.7 | 178.5 | -175.5 | -86.9 | -9.3 | 112 | V529 D560 F562 R566 S567 F570 | V529-R564 HydrophobicContact CG2-CG 3.81Å; D560-R564 VanDerWaalsContact O-CG 3.29Å; D560-R564 WeakPolarHBondContact O-CG 3.27Å; D560-R564 PolarHBondContact O-N 2.87Å; D560-R564 IonicContact OD1-CZ 2.73Å; D560-R564 IonicContact OD1-NE 3.55Å; D560-R564 PolarHBondContact OD1-NE 3.36Å; D560-R564 IonicContact OD1-NH2 3.11Å; D560-R564 PolarHBondContact OD1-NH2 2.89Å; D560-R564 WeakPolarHBondContact OD2-CD 3.42Å; D560-R564 IonicContact OD2-CZ 3.13Å; D560-R564 IonicContact OD2-NE 2.67Å; D560-R564 PolarHBondContact OD2-NE 2.85Å; D560-R564 IonicContact OD2-NH2 2.72Å; F562-R564 VanDerWaalsContact C-N 3.32Å; F562-R564 PolarHBondContact O-N 2.84Å; R564-R566 PolarHBondContact O-N 2.91Å; R564-S567 PolarHBondContact O-N 3.22Å; R564-S567 VanDerWaalsContact O-N 3.14Å; R564-F570 HydrophobicContact CB-CD2 3.91Å; R564-F570 HydrophobicContact CB-CE2 3.75Å; R564-F570 HydrophobicContact CB-CZ 4.34Å; R564-F570 HydrophobicContact CG-CD2 4.21Å; R564-F570 HydrophobicContact CG-CE2 3.54Å; R564-F570 HydrophobicContact CG-CZ 3.76Å; R564-F570 VanDerWaalsContact NH1-CE1 3.29Å; R564-F570 WeakPolarHBondContact O-CD2 3.2Å |
| 565 | S | 97.1 | Very high | 97.1 | Very high | 53 Ų | 53 | 61.3 Ų | 61.3 | 37% | 0.371 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.2 | -28.6 | 179 | 82.8 | 0 | 0 | 0 | 0 | 112.9 | S561 F562 L563 K571 | S561-S565 WeakPolarHBondContact O-CB 3.44Å; S561-S565 PolarHBondContact O-N 3.04Å; F562-S565 WeakPolarHBondContact O-CB 3.4Å; F562-S565 PolarHBondContact O-N 2.86Å; F562-S565 PolarHBondContact O-OG 3Å; L563-S565 VanDerWaalsContact C-N 3.34Å; L563-S565 PolarHBondContact O-N 3.21Å; S565-K571 PolarHBondContact O-NZ 2.88Å |
| 566 | R | 97.7 | Very high | 97.3 | Very high | 62 Ų | 62 | 59.6 Ų | 59.6 | 23% | 0.234 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -93.1 | -9.8 | 178 | -60.8 | -50.7 | -168.6 | 167.2 | 2.6 | 113.8 | W467 G468 G469 Y503 L528 F562 L563 R564 P568 | W467-R566 WeakPolarHBondContact O-CD 3.17Å; W467-R566 WeakPolarHBondContact O-CG 3.47Å; G468-R566 PolarHBondContact O-NH1 2.98Å; G469-R566 VanDerWaalsContact CA-NH1 3.29Å; Y503-R566 WeakPolarHBondContact CE2-O 3.47Å; Y503-R566 PolarHBondContact OH-O 2.98Å; L528-R566 HydrophobicContact CD1-CB 3.74Å; F562-R566 HydrophobicContact CD1-CG 4.44Å; F562-R566 HydrophobicContact CE1-CG 4Å; F562-R566 HydrophobicContact CE2-CG 4.47Å; F562-R566 HydrophobicContact CZ-CG 4.02Å; F562-R566 PolarHBondContact O-N 2.54Å; F562-R566 VanDerWaalsContact O-N 3.15Å; L563-R566 PolarHBondContact O-N 3.13Å; R564-R566 PolarHBondContact O-N 2.91Å; R566-P568 WeakPolarHBondContact O-CD 3.31Å |
| 567 | S | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -83.3 | 122.5 | -175.6 | -68.1 | 0 | 0 | 0 | 0 | 112.4 | T526 L528 L563 R564 Y569 F570 | T526-S567 CarbonylContact O-C 3.49Å; L528-S567 PolarHBondContact N-OG 3.42Å; L563-S567 WeakPolarHBondContact O-CB 3.03Å; L563-S567 PolarHBondContact O-N 3Å; L563-S567 PolarHBondContact O-OG 2.8Å; R564-S567 PolarHBondContact O-N 3.22Å; R564-S567 VanDerWaalsContact O-N 3.14Å; S567-Y569 PolarHBondContact O-N 3.15Å; S567-F570 PolarHBondContact O-N 3.43Å | ||
| 568 | P | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -50.9 | -36.9 | 172.1 | -31.8 | 36.1 | 0 | 0 | 0 | 114.6 | Y503 L506 I510 T526 R566 F570 K571 A572 | Y503-P568 HydrophobicContact CD2-CG 3.89Å; Y503-P568 VanDerWaalsContact CE2-CD 3.44Å; Y503-P568 HydrophobicContact CE2-CG 3.98Å; L506-P568 HydrophobicContact CB-CB 3.67Å; L506-P568 HydrophobicContact CB-CG 3.72Å; L506-P568 HydrophobicContact CD1-CB 3.98Å; L506-P568 HydrophobicContact CD1-CG 4.18Å; L506-P568 HydrophobicContact CG-CB 4.48Å; I510-P568 HydrophobicContact CD1-CB 3.65Å; T526-P568 VanDerWaalsContact O-CD 3.24Å; T526-P568 WeakPolarHBondContact O-CD 3.21Å; R566-P568 WeakPolarHBondContact O-CD 3.31Å; P568-F570 VanDerWaalsContact C-N 3.3Å; P568-F570 PolarHBondContact O-N 2.78Å; P568-K571 CarbonylContact O-C 3.5Å; P568-K571 VanDerWaalsContact O-C 3.31Å; P568-K571 WeakPolarHBondContact O-CA 3.42Å; P568-K571 PolarHBondContact O-N 2.67Å; P568-A572 PolarHBondContact O-N 3.39Å |
| 569 | Y | 98.1 | Very high | 97.6 | Very high | 75 Ų | 75 | 48.1 Ų | 48.1 | 29% | 0.294 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -48.9 | -45.5 | -178.6 | 171.2 | -102.7 | 0 | 0 | 0 | 113.3 | T526 N527 S567 K571 A572 Q597 A601 | T526-Y569 VanDerWaalsContact O-CB 3.22Å; T526-Y569 WeakPolarHBondContact O-CB 3.28Å; T526-Y569 PolarHBondContact O-N 3.41Å; N527-Y569 HydrophobicContact CB-CD1 4.45Å; N527-Y569 HydrophobicContact CB-CG 4.26Å; S567-Y569 PolarHBondContact O-N 3.15Å; Y569-K571 PolarHBondContact O-N 3.05Å; Y569-A572 PolarHBondContact O-N 2.69Å; Y569-Q597 HydrophobicContact CD2-CB 4.04Å; Y569-Q597 HydrophobicContact CD2-CG 3.71Å; Y569-Q597 WeakPolarHBondContact CD2-O 3.1Å; Y569-Q597 HydrophobicContact CE2-CB 3.83Å; Y569-Q597 HydrophobicContact CE2-CG 4.03Å; Y569-Q597 WeakPolarHBondContact CE2-O 3.34Å; Y569-A601 HydrophobicContact CD2-CB 3.85Å; Y569-A601 HydrophobicContact CE2-CB 3.81Å |
| 570 | F | 97.7 | Very high | 97.7 | Very high | 84 Ų | 84 | 47.9 Ų | 47.9 | 37% | 0.368 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -75.4 | -4.6 | -178.6 | -60.5 | -76.6 | 0 | 0 | 0 | 114 | R564 S567 P568 | R564-F570 HydrophobicContact CB-CD2 3.91Å; R564-F570 HydrophobicContact CB-CE2 3.75Å; R564-F570 HydrophobicContact CB-CZ 4.34Å; R564-F570 HydrophobicContact CG-CD2 4.21Å; R564-F570 HydrophobicContact CG-CE2 3.54Å; R564-F570 HydrophobicContact CG-CZ 3.76Å; R564-F570 VanDerWaalsContact NH1-CE1 3.29Å; R564-F570 WeakPolarHBondContact O-CD2 3.2Å; S567-F570 PolarHBondContact O-N 3.43Å; P568-F570 VanDerWaalsContact C-N 3.3Å; P568-F570 PolarHBondContact O-N 2.78Å |
| 571 | K | 97.2 | Very high | 97.7 | Very high | 67 Ų | 67 | 46 Ų | 46 | 29% | 0.291 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -130.5 | 13.1 | -178.5 | -61.2 | 173.5 | -177.8 | 155.5 | 0 | 112.1 | I510 F511 S565 P568 Y569 R573 N574 | I510-K571 HydrophobicContact CD1-CB 4.17Å; I510-K571 HydrophobicContact CG2-CB 3.65Å; I510-K571 HydrophobicContact CG2-CD 4.07Å; F511-K571 HydrophobicContact CE1-CD 3.61Å; F511-K571 HydrophobicContact CZ-CD 3.96Å; S565-K571 PolarHBondContact O-NZ 2.88Å; P568-K571 CarbonylContact O-C 3.5Å; P568-K571 VanDerWaalsContact O-C 3.31Å; P568-K571 WeakPolarHBondContact O-CA 3.42Å; P568-K571 PolarHBondContact O-N 2.67Å; Y569-K571 PolarHBondContact O-N 3.05Å; K571-R573 PolarHBondContact O-N 3.18Å; K571-R573 VanDerWaalsContact O-N 3.14Å; K571-N574 WeakPolarHBondContact O-CB 3.5Å; K571-N574 PolarHBondContact O-N 2.85Å |
| 572 | A | 97.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 2% | 0.017 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -56.1 | -35.7 | -173 | 0 | 0 | 0 | 0 | 0 | 112.6 | P568 Y569 N574 I575 L598 A601 L602 | P568-A572 PolarHBondContact O-N 3.39Å; Y569-A572 PolarHBondContact O-N 2.69Å; A572-N574 PolarHBondContact O-N 2.86Å; A572-I575 WeakPolarHBondContact O-CB 3.34Å; A572-I575 WeakPolarHBondContact O-CG1 3.38Å; A572-I575 PolarHBondContact O-N 3.5Å; A572-L598 HydrophobicContact CB-CD1 3.96Å; A572-A601 HydrophobicContact CB-CB 3.75Å; A572-L602 HydrophobicContact CB-CD2 4.27Å; A572-L602 HydrophobicContact CB-CG 4.37Å; A572-L602 WeakPolarHBondContact O-CD2 3.49Å |
| 573 | R | 96.2 | Very high | 97.8 | Very high | 162 Ų | 162 | 40 Ų | 40 | 61% | 0.611 | 19% | 0.19 | S | C | * | . | G | 310 helix | trans | -62.1 | -10.1 | 177.2 | -67.3 | -172.6 | 172.8 | -134.7 | -9.4 | 115 | K571 I575 D604 | K571-R573 PolarHBondContact O-N 3.18Å; K571-R573 VanDerWaalsContact O-N 3.14Å; R573-I575 VanDerWaalsContact C-N 3.33Å; R573-D604 IonicContact NH1-OD1 3.73Å; R573-D604 IonicContact NH2-OD1 3.34Å |
| 574 | N | 96.3 | Very high | 97.7 | Very high | 93 Ų | 93 | 40 Ų | 40 | 50% | 0.497 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -81.2 | -15 | 172.7 | -65.5 | 3.2 | 0 | 0 | 0 | 112.7 | I510 K571 A572 S576 | I510-N574 HydrophobicContact CG2-CB 4.18Å; K571-N574 WeakPolarHBondContact O-CB 3.5Å; K571-N574 PolarHBondContact O-N 2.85Å; A572-N574 PolarHBondContact O-N 2.86Å; N574-S576 PolarHBondContact O-N 2.8Å |
| 575 | I | 97.9 | Very high | 97.6 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | trans | -73.7 | 119.3 | 175.9 | -58.4 | 175.5 | 0 | 0 | 0 | 108.2 | L506 L509 I510 A572 R573 L598 L602 T607 | L506-I575 HydrophobicContact CD2-CD1 4.02Å; L509-I575 HydrophobicContact CB-CG1 4.03Å; L509-I575 HydrophobicContact CB-CG2 4.05Å; L509-I575 HydrophobicContact CD1-CG2 3.88Å; I510-I575 HydrophobicContact CD1-CD1 4.18Å; I510-I575 HydrophobicContact CD1-CG1 4.2Å; I510-I575 HydrophobicContact CG1-CD1 4.01Å; I510-I575 HydrophobicContact CG1-CG1 3.5Å; A572-I575 WeakPolarHBondContact O-CB 3.34Å; A572-I575 WeakPolarHBondContact O-CG1 3.38Å; A572-I575 PolarHBondContact O-N 3.5Å; R573-I575 VanDerWaalsContact C-N 3.33Å; I575-L598 HydrophobicContact CD1-CD1 4.42Å; I575-L602 HydrophobicContact CB-CD2 4.18Å; I575-T607 HydrophobicContact CB-CG2 4.44Å; I575-T607 HydrophobicContact CG2-CG2 3.82Å; I575-T607 WeakPolarHBondContact O-CG2 3.42Å; I575-T607 PolarHBondContact O-OG1 2.9Å | ||
| 576 | S | 95.9 | Very high | 97.5 | Very high | 83 Ų | 83 | 40.1 Ų | 40.1 | 58% | 0.58 | 19% | 0.193 | S | C | * | . | trans | -119.3 | -14.7 | 178.7 | 56.7 | 0 | 0 | 0 | 0 | 113.3 | N574 | N574-S576 PolarHBondContact O-N 2.8Š| ||
| 577 | Q | 97.7 | Very high | 97.4 | Very high | 17 Ų | 17 | 37.4 Ų | 37.4 | 8% | 0.079 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -75.3 | 152.5 | 178.3 | -63.6 | 74.4 | 4.4 | 0 | 0 | 110.9 | L509 P513 Y516 L579 T607 | L509-Q577 HydrophobicContact CD1-CB 4.49Å; L509-Q577 HydrophobicContact CD2-CB 4.03Å; L509-Q577 HydrophobicContact CD2-CG 3.96Å; P513-Q577 PolarHBondContact O-NE2 3.29Å; Y516-Q577 WeakPolarHBondContact O-CG 3.44Å; Q577-L579 PolarHBondContact O-N 2.86Å; Q577-T607 WeakPolarHBondContact O-CG2 3.46Å |
| 578 | P | 98 | Very high | 97.1 | Very high | 39 Ų | 39 | 41.9 Ų | 41.9 | 25% | 0.253 | 21% | 0.208 | S | C | . | . | trans | -50.4 | 133.8 | 162.9 | -25.9 | 34.7 | 0 | 0 | 0 | 112 | A517 C518 G519 P608 F637 | A517-P578 WeakPolarHBondContact O-CD 3.19Å; C518-P578 WeakPolarHBondContact CA-O 3.29Å; C518-P578 HydrophobicContact CB-CB 4.23Å; G519-P578 PolarHBondContact N-O 2.78Å; P578-P608 CarbonylContact C-O 3.53Å; P578-P608 VanDerWaalsContact CA-O 3.3Å; P578-P608 WeakPolarHBondContact CA-O 3.47Å; P578-P608 HydrophobicContact CB-CB 4.42Å; P578-P608 HydrophobicContact CG-CB 4.49Å; P578-P608 HydrophobicContact CG-CG 4.45Å; P578-F637 HydrophobicContact CB-CE2 3.7Å; P578-F637 HydrophobicContact CB-CZ 4Å; P578-F637 WeakPolarHBondContact O-CZ 3.41Å | ||
| 579 | L | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 127.8 | -179.7 | 178.1 | 62.7 | 0 | 0 | 0 | 110.8 | V505 L506 L509 G519 D521 Q577 V581 L598 P608 V609 T610 | V505-L579 HydrophobicContact CG1-CD1 4.08Å; L506-L579 HydrophobicContact CD2-CD1 4.41Å; L506-L579 HydrophobicContact CD2-CD2 3.85Å; L509-L579 HydrophobicContact CD1-CD1 3.93Å; G519-L579 WeakPolarHBondContact O-CA 3.44Å; D521-L579 HydrophobicContact CB-CD1 4.14Å; Q577-L579 PolarHBondContact O-N 2.86Å; L579-V581 HydrophobicContact CD2-CG2 3.81Å; L579-V581 HydrophobicContact CG-CG2 3.78Å; L579-L598 HydrophobicContact CD2-CD2 4.05Å; L579-P608 PolarHBondContact N-O 3.03Å; L579-V609 HydrophobicContact CB-CG2 4.37Å; L579-V609 CarbonylContact O-C 3.51Å; L579-V609 VanDerWaalsContact O-CA 3.27Å; L579-V609 WeakPolarHBondContact O-CA 3.36Å; L579-T610 PolarHBondContact O-N 3.1Å |
| 580 | L | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 124.2 | 167.1 | 176 | 62.3 | 0 | 0 | 0 | 108.8 | G519 I520 D521 T610 L612 F630 V633 A634 F637 | G519-L580 PolarHBondContact O-N 3.43Å; I520-L580 CarbonylContact C-O 3.58Å; I520-L580 WeakPolarHBondContact CA-O 3.45Å; I520-L580 HydrophobicContact CG1-CB 4.29Å; I520-L580 HydrophobicContact CG1-CD2 4.33Å; I520-L580 HydrophobicContact CG2-CD2 4.17Å; I520-L580 HydrophobicContact CG2-CG 4.43Å; D521-L580 PolarHBondContact N-O 2.84Å; L580-T610 CarbonylContact C-O 3.6Å; L580-T610 WeakPolarHBondContact CA-O 3.44Å; L580-T610 HydrophobicContact CD1-CG2 3.82Å; L580-L612 HydrophobicContact CD1-CD1 3.88Å; L580-F630 HydrophobicContact CD2-CE2 3.97Å; L580-F630 HydrophobicContact CD2-CZ 4.43Å; L580-F630 HydrophobicContact CG-CE2 4.35Å; L580-V633 HydrophobicContact CD1-CG1 3.93Å; L580-V633 HydrophobicContact CD2-CG1 4.45Å; L580-A634 HydrophobicContact CD2-CB 3.8Å; L580-F637 HydrophobicContact CB-CD1 4Å; L580-F637 HydrophobicContact CB-CD2 4.15Å; L580-F637 HydrophobicContact CB-CE1 4.01Å; L580-F637 HydrophobicContact CB-CE2 4.15Å; L580-F637 HydrophobicContact CB-CG 4.05Å; L580-F637 HydrophobicContact CB-CZ 4.07Å; L580-F637 HydrophobicContact CD2-CB 4.31Å; L580-F637 HydrophobicContact CD2-CD1 4.39Å; L580-F637 HydrophobicContact CD2-CG 4.38Å |
| 581 | V | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 130 | 177.9 | -175.3 | 0 | 0 | 0 | 0 | 109.2 | D521 L579 L598 I599 V609 T610 Y611 L612 | D521-V581 CarbonylContact O-C 3.59Å; D521-V581 VanDerWaalsContact O-CA 3.32Å; D521-V581 WeakPolarHBondContact O-CA 3.05Å; L579-V581 HydrophobicContact CD2-CG2 3.81Å; L579-V581 HydrophobicContact CG-CG2 3.78Å; V581-L598 HydrophobicContact CG2-CD2 4.25Å; V581-I599 HydrophobicContact CG2-CD1 4.47Å; V581-V609 HydrophobicContact CG2-CG1 3.9Å; V581-T610 PolarHBondContact N-O 3.33Å; V581-Y611 HydrophobicContact CB-CD2 3.87Å; V581-Y611 HydrophobicContact CG1-CD2 3.73Å; V581-Y611 HydrophobicContact CG1-CE2 3.98Å; V581-Y611 WeakPolarHBondContact O-CA 3.33Å; V581-L612 PolarHBondContact O-N 2.85Å |
| 582 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 135.1 | 173 | 166.5 | 71.6 | 0 | 0 | 0 | 110.1 | D521 M522 F523 L612 F614 L621 F630 | D521-L582 PolarHBondContact O-N 3.01Å; M522-L582 HydrophobicContact CB-CB 4.33Å; M522-L582 HydrophobicContact CB-CD2 4.02Å; M522-L582 HydrophobicContact CE-CD2 3.5Å; M522-L582 HydrophobicContact CG-CB 4.14Å; M522-L582 HydrophobicContact CG-CD2 3.82Å; M522-L582 HydrophobicContact SD-CD2 4.44Å; F523-L582 HydrophobicContact CD1-CD2 4.45Å; F523-L582 HydrophobicContact CE1-CD2 4.13Å; F523-L582 PolarHBondContact N-O 3.25Å; L582-L612 CarbonylContact C-O 3.58Å; L582-L612 WeakPolarHBondContact CA-O 3.46Å; L582-L612 HydrophobicContact CD1-CB 4.3Å; L582-F614 HydrophobicContact CD1-CD2 3.36Å; L582-F614 HydrophobicContact CD1-CE2 3.33Å; L582-L621 HydrophobicContact CD1-CD1 4.32Å; L582-L621 HydrophobicContact CD1-CD2 4.26Å; L582-L621 HydrophobicContact CD2-CD1 3.7Å; L582-L621 HydrophobicContact CD2-CD2 4.46Å; L582-L621 HydrophobicContact CD2-CG 3.95Å; L582-F630 HydrophobicContact CB-CD2 3.98Å; L582-F630 HydrophobicContact CB-CE2 3.58Å; L582-F630 HydrophobicContact CB-CZ 4.25Å; L582-F630 HydrophobicContact CD1-CD2 3.87Å; L582-F630 HydrophobicContact CD1-CE2 4.36Å; L582-F630 HydrophobicContact CD1-CG 4.39Å; L582-F630 HydrophobicContact CD2-CD1 4.14Å; L582-F630 HydrophobicContact CD2-CD2 3.78Å; L582-F630 HydrophobicContact CD2-CE1 4.13Å; L582-F630 HydrophobicContact CD2-CE2 3.78Å; L582-F630 HydrophobicContact CD2-CG 3.96Å; L582-F630 HydrophobicContact CD2-CZ 3.94Å; L582-F630 HydrophobicContact CG-CD2 4.09Å; L582-F630 HydrophobicContact CG-CE2 4.1Å |
| 583 | Q | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 144 | 174.1 | -173.3 | 58.5 | 47.9 | 0 | 0 | 111.8 | D587 V590 P592 S595 Y611 L612 L613 F614 | Q583-D587 VanDerWaalsContact NE2-CB 3.31Å; Q583-D587 PolarHBondContact NE2-OD2 2.95Å; Q583-V590 PolarHBondContact NE2-O 3.29Å; Q583-P592 HydrophobicContact CG-CB 4.03Å; Q583-P592 HydrophobicContact CG-CG 4.5Å; Q583-S595 PolarHBondContact OE1-OG 2.86Å; Q583-S595 VanDerWaalsContact OE1-OG 3.07Å; Q583-Y611 HydrophobicContact CB-CE2 3.74Å; Q583-L612 PolarHBondContact N-O 2.78Å; Q583-L613 HydrophobicContact CB-CD1 3.96Å; Q583-L613 HydrophobicContact CG-CD1 3.95Å; Q583-L613 WeakPolarHBondContact O-CA 3.24Å; Q583-F614 PolarHBondContact O-N 2.85Å |
| 584 | G | 97 | Very high | 96.7 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 130.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | L586 D587 E617 | G584-L586 PolarHBondContact O-N 2.82Å; G584-D587 VanDerWaalsContact O-CB 3.25Å; G584-D587 WeakPolarHBondContact O-CB 3.5Å; G584-D587 PolarHBondContact O-N 3.36Å; G584-E617 CarbonylContact C-O 3.57Å; G584-E617 VanDerWaalsContact C-O 3.28Å; G584-E617 VanDerWaalsContact CA-O 3.28Å; G584-E617 WeakPolarHBondContact CA-O 3.46Å |
| 585 | L | 96.4 | Very high | 96.8 | Very high | 77 Ų | 77 | 36.4 Ų | 36.4 | 40% | 0.403 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -22.5 | -178.2 | -175.8 | 58.8 | 0 | 0 | 0 | 113 | P592 L613 F614 P615 E617 | L585-P592 HydrophobicContact CD1-CB 4.33Å; L585-P592 HydrophobicContact CD1-CG 4.13Å; L585-P592 WeakPolarHBondContact O-CG 3.19Å; L585-L613 HydrophobicContact CB-CD1 3.96Å; L585-L613 HydrophobicContact CB-CG 4.49Å; L585-L613 HydrophobicContact CD1-CD1 4.38Å; L585-L613 HydrophobicContact CD1-CD2 4.37Å; L585-F614 PolarHBondContact N-O 2.88Å; L585-P615 HydrophobicContact CD2-CB 4.02Å; L585-E617 PolarHBondContact N-O 3.41Å |
| 586 | L | 95 | Very high | 96.7 | Very high | 79 Ų | 79 | 39 Ų | 39 | 41% | 0.414 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 16.2 | 179.4 | -51.8 | 177.4 | 0 | 0 | 0 | 112.1 | V97 G584 D588 E617 | V97-L586 HydrophobicContact CG1-CB 3.41Å; V97-L586 VanDerWaalsContact CG1-CB 3.41Å; V97-L586 HydrophobicContact CG1-CD1 3.52Å; V97-L586 HydrophobicContact CG1-CG 4.06Å; G584-L586 PolarHBondContact O-N 2.82Å; L586-D588 PolarHBondContact O-N 2.9Å; L586-E617 WeakPolarHBondContact CA-O 3.45Å; L586-E617 WeakPolarHBondContact CB-O 3.3Å; L586-E617 PolarHBondContact N-O 3.02Å |
| 587 | D | 95.2 | Very high | 96.8 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | trans | -66.4 | 119.7 | 176 | -169.2 | -22.5 | 0 | 0 | 0 | 110.4 | Q583 G584 R589 V590 L591 H619 | Q583-D587 VanDerWaalsContact NE2-CB 3.31Å; Q583-D587 PolarHBondContact NE2-OD2 2.95Å; G584-D587 VanDerWaalsContact O-CB 3.25Å; G584-D587 WeakPolarHBondContact O-CB 3.5Å; G584-D587 PolarHBondContact O-N 3.36Å; D587-R589 WeakPolarHBondContact OD1-CA 3.37Å; D587-R589 PolarHBondContact OD1-N 2.82Å; D587-V590 WeakPolarHBondContact CB-O 3.17Å; D587-V590 PolarHBondContact OD1-N 2.64Å; D587-V590 VanDerWaalsContact OD2-O 3.09Å; D587-L591 WeakPolarHBondContact O-CD2 3.2Å; D587-H619 VanDerWaalsContact CG-ND1 3.31Å; D587-H619 VanDerWaalsContact OD1-CB 3.28Å; D587-H619 WeakPolarHBondContact OD1-CB 3.44Å; D587-H619 IonicContact OD1-CG 3.46Å; D587-H619 IonicContact OD1-ND1 3.53Å; D587-H619 PolarHBondContact OD1-ND1 3.46Å; D587-H619 VanDerWaalsContact OD1-ND1 3.17Å; D587-H619 WeakPolarHBondContact OD2-CA 3.32Å; D587-H619 IonicContact OD2-CE1 2.72Å; D587-H619 IonicContact OD2-CG 3.77Å; D587-H619 IonicContact OD2-ND1 3.39Å; D587-H619 PolarHBondContact OD2-ND1 3.28Å | ||
| 588 | D | 91.4 | Very high | 96.8 | Very high | 95 Ų | 95 | 34.6 Ų | 34.6 | 51% | 0.508 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -99.6 | -7.3 | 179.6 | 66.4 | -17.7 | 0 | 0 | 0 | 113.2 | P536 L586 | P536-D588 WeakPolarHBondContact CG-O 3.34Å; L586-D588 PolarHBondContact O-N 2.9Å |
| 589 | R | 92.8 | Very high | 96.6 | Very high | 121 Ų | 121 | 33.7 Ų | 33.7 | 46% | 0.457 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -99.4 | -46 | -178.3 | -60.4 | 179.5 | -172 | 170 | 1.8 | 112 | P536 W539 D587 H619 | P536-R589 HydrophobicContact CG-CB 4.45Å; P536-R589 HydrophobicContact CG-CG 4.13Å; W539-R589 HydrophobicContact CH2-CB 4.08Å; W539-R589 HydrophobicContact CH2-CG 4.28Å; W539-R589 HydrophobicContact CZ2-CB 4.28Å; W539-R589 HydrophobicContact CZ2-CG 3.97Å; D587-R589 WeakPolarHBondContact OD1-CA 3.37Å; D587-R589 PolarHBondContact OD1-N 2.82Å; R589-H619 HydrophobicContact CB-CB 4.17Å; R589-H619 HydrophobicContact CG-CB 4.16Å |
| 590 | V | 96.1 | Very high | 96.4 | Very high | 7 Ų | 7 | 40.3 Ų | 40.3 | 4% | 0.042 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -123.8 | 97.3 | 172.1 | 179.6 | 0 | 0 | 0 | 0 | 106.2 | F523 P525 Q583 D587 E594 H619 | F523-V590 WeakPolarHBondContact O-CG1 3.32Å; P525-V590 HydrophobicContact CB-CG1 4.44Å; Q583-V590 PolarHBondContact NE2-O 3.29Å; D587-V590 WeakPolarHBondContact CB-O 3.17Å; D587-V590 PolarHBondContact OD1-N 2.64Å; D587-V590 VanDerWaalsContact OD2-O 3.09Å; V590-E594 HydrophobicContact CG1-CB 3.83Å; V590-E594 HydrophobicContact CG1-CG 3.84Å; V590-H619 VanDerWaalsContact CG2-CE1 3.49Å; V590-H619 WeakPolarHBondContact CG2-CE1 3.39Å |
| 591 | L | 96.4 | Very high | 96.3 | Very high | 60 Ų | 60 | 41.2 Ų | 41.2 | 31% | 0.314 | 20% | 0.198 | S | C | . | . | trans | -59.3 | 147.8 | -171.8 | -62.3 | -173.7 | 0 | 0 | 0 | 110.9 | D587 R593 E594 | D587-L591 WeakPolarHBondContact O-CD2 3.2Å; L591-R593 PolarHBondContact O-N 3Å; L591-E594 WeakPolarHBondContact O-CB 3.35Å; L591-E594 WeakPolarHBondContact O-CG 3.31Å; L591-E594 PolarHBondContact O-N 2.54Å | ||
| 592 | P | 97.2 | Very high | 96.2 | Very high | 18 Ų | 18 | 41.5 Ų | 41.5 | 12% | 0.117 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -30.9 | 178.2 | -26.3 | 31.6 | 0 | 0 | 0 | 114.3 | Q583 L585 E594 S595 D596 | Q583-P592 HydrophobicContact CG-CB 4.03Å; Q583-P592 HydrophobicContact CG-CG 4.5Å; L585-P592 HydrophobicContact CD1-CB 4.33Å; L585-P592 HydrophobicContact CD1-CG 4.13Å; L585-P592 WeakPolarHBondContact O-CG 3.19Å; P592-E594 PolarHBondContact O-N 3.02Å; P592-S595 PolarHBondContact O-N 2.84Å; P592-D596 VanDerWaalsContact O-CG 3.32Å; P592-D596 PolarHBondContact O-N 2.87Å |
| 593 | R | 97 | Very high | 95.6 | Very high | 159 Ų | 159 | 43.7 Ų | 43.7 | 60% | 0.6 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -51.5 | -29.7 | 173.4 | -174.9 | 176.7 | -178.3 | 85.4 | 9.1 | 113.5 | L591 D596 Q597 | L591-R593 PolarHBondContact O-N 3Å; R593-D596 PolarHBondContact O-N 3.11Å; R593-Q597 VanDerWaalsContact O-CB 3.3Å; R593-Q597 WeakPolarHBondContact O-CB 3.05Å; R593-Q597 WeakPolarHBondContact O-CG 3.34Å; R593-Q597 PolarHBondContact O-N 2.8Å |
| 594 | E | 98.2 | Very high | 95.1 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.009 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 178.2 | -64.7 | -67.3 | 141.5 | 0 | 0 | 111.7 | T526 N527 T530 V590 L591 P592 Q597 L598 | T526-E594 VanDerWaalsContact CG2-O 3.27Å; T526-E594 WeakPolarHBondContact CG2-O 3.38Å; T526-E594 PolarHBondContact N-OE2 3.31Å; T526-E594 PolarHBondContact OG1-O 2.67Å; T526-E594 PolarHBondContact OG1-OE2 2.96Å; N527-E594 PolarHBondContact N-OE2 2.78Å; T530-E594 VanDerWaalsContact CB-OE1 3.31Å; T530-E594 WeakPolarHBondContact CB-OE1 3.11Å; T530-E594 PolarHBondContact OG1-OE1 3.17Å; V590-E594 HydrophobicContact CG1-CB 3.83Å; V590-E594 HydrophobicContact CG1-CG 3.84Å; L591-E594 WeakPolarHBondContact O-CB 3.35Å; L591-E594 WeakPolarHBondContact O-CG 3.31Å; L591-E594 PolarHBondContact O-N 2.54Å; P592-E594 PolarHBondContact O-N 3.02Å; E594-Q597 VanDerWaalsContact CD-NE2 3.27Å; E594-Q597 WeakPolarHBondContact O-CG 3.41Å; E594-Q597 PolarHBondContact OE1-NE2 2.81Å; E594-Q597 PolarHBondContact OE2-NE2 2.97Å; E594-L598 PolarHBondContact O-N 3.32Å |
| 595 | S | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -71.3 | -43.6 | 171.5 | -63 | 0 | 0 | 0 | 0 | 111.4 | Q583 P592 Q597 L598 I599 | Q583-S595 PolarHBondContact OE1-OG 2.86Å; Q583-S595 VanDerWaalsContact OE1-OG 3.07Å; P592-S595 PolarHBondContact O-N 2.84Å; S595-Q597 PolarHBondContact O-N 2.99Å; S595-L598 WeakPolarHBondContact O-CB 3.45Å; S595-L598 PolarHBondContact O-N 3.01Å; S595-L598 VanDerWaalsContact O-N 3.1Å; S595-I599 WeakPolarHBondContact O-CG1 3.36Å; S595-I599 PolarHBondContact O-N 2.88Å; S595-I599 VanDerWaalsContact O-N 3.15Å |
| 596 | D | 96.5 | Very high | 94.6 | Very high | 58 Ų | 58 | 50.6 Ų | 50.6 | 31% | 0.31 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60 | -45.5 | -178.1 | -58.2 | -21.8 | 0 | 0 | 0 | 111.6 | P592 R593 L598 I599 E600 Y611 | P592-D596 VanDerWaalsContact O-CG 3.32Å; P592-D596 PolarHBondContact O-N 2.87Å; R593-D596 PolarHBondContact O-N 3.11Å; D596-L598 VanDerWaalsContact C-N 3.26Å; D596-L598 PolarHBondContact O-N 3.24Å; D596-I599 PolarHBondContact O-N 2.89Å; D596-E600 WeakPolarHBondContact O-CG 3.45Å; D596-E600 PolarHBondContact O-N 3.21Å; D596-Y611 PolarHBondContact OD1-OH 2.47Å |
| 597 | Q | 97.1 | Very high | 94.6 | Very high | 7 Ų | 7 | 47.2 Ų | 47.2 | 3% | 0.033 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.5 | -24.6 | 179 | 76.2 | -170.4 | -8 | 0 | 0 | 112.9 | T526 Y569 R593 E594 S595 A601 | T526-Q597 WeakPolarHBondContact OG1-CG 3.45Å; T526-Q597 PolarHBondContact OG1-NE2 2.82Å; Y569-Q597 HydrophobicContact CD2-CB 4.04Å; Y569-Q597 HydrophobicContact CD2-CG 3.71Å; Y569-Q597 WeakPolarHBondContact CD2-O 3.1Å; Y569-Q597 HydrophobicContact CE2-CB 3.83Å; Y569-Q597 HydrophobicContact CE2-CG 4.03Å; Y569-Q597 WeakPolarHBondContact CE2-O 3.34Å; R593-Q597 VanDerWaalsContact O-CB 3.3Å; R593-Q597 WeakPolarHBondContact O-CB 3.05Å; R593-Q597 WeakPolarHBondContact O-CG 3.34Å; R593-Q597 PolarHBondContact O-N 2.8Å; E594-Q597 VanDerWaalsContact CD-NE2 3.27Å; E594-Q597 WeakPolarHBondContact O-CG 3.41Å; E594-Q597 PolarHBondContact OE1-NE2 2.81Å; E594-Q597 PolarHBondContact OE2-NE2 2.97Å; S595-Q597 PolarHBondContact O-N 2.99Å; Q597-A601 WeakPolarHBondContact O-CB 3.06Å; Q597-A601 PolarHBondContact O-N 3.29Å |
| 598 | L | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.1 | -48.5 | 172.1 | 174.9 | 68.8 | 0 | 0 | 0 | 110.3 | L506 T526 A572 I575 L579 V581 E594 S595 D596 E600 A601 L602 | L506-L598 HydrophobicContact CD1-CD1 4.44Å; L506-L598 HydrophobicContact CD1-CD2 4.08Å; L506-L598 HydrophobicContact CD2-CD1 4.25Å; L506-L598 HydrophobicContact CD2-CD2 3.6Å; T526-L598 HydrophobicContact CG2-CB 3.85Å; T526-L598 HydrophobicContact CG2-CD1 4.41Å; T526-L598 HydrophobicContact CG2-CD2 4.17Å; T526-L598 HydrophobicContact CG2-CG 4.36Å; A572-L598 HydrophobicContact CB-CD1 3.96Å; I575-L598 HydrophobicContact CD1-CD1 4.42Å; L579-L598 HydrophobicContact CD2-CD2 4.05Å; V581-L598 HydrophobicContact CG2-CD2 4.25Å; E594-L598 PolarHBondContact O-N 3.32Å; S595-L598 WeakPolarHBondContact O-CB 3.45Å; S595-L598 PolarHBondContact O-N 3.01Å; S595-L598 VanDerWaalsContact O-N 3.1Å; D596-L598 VanDerWaalsContact C-N 3.26Å; D596-L598 PolarHBondContact O-N 3.24Å; L598-E600 VanDerWaalsContact C-N 3.32Å; L598-E600 PolarHBondContact O-N 3.45Å; L598-A601 PolarHBondContact O-N 3.42Å; L598-L602 HydrophobicContact CG-CD1 4.33Å; L598-L602 WeakPolarHBondContact O-CG 3.2Å; L598-L602 PolarHBondContact O-N 3.15Å |
| 599 | I | 95.4 | Very high | 94.9 | Very high | 19 Ų | 19 | 45.5 Ų | 45.5 | 10% | 0.097 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.6 | -45.2 | 177.1 | -58 | -54.3 | 0 | 0 | 0 | 110.2 | V581 S595 D596 A601 L602 G603 V609 Y611 F663 | V581-I599 HydrophobicContact CG2-CD1 4.47Å; S595-I599 WeakPolarHBondContact O-CG1 3.36Å; S595-I599 PolarHBondContact O-N 2.88Å; S595-I599 VanDerWaalsContact O-N 3.15Å; D596-I599 PolarHBondContact O-N 2.89Å; I599-A601 PolarHBondContact O-N 3.27Å; I599-L602 PolarHBondContact O-N 3.49Å; I599-G603 PolarHBondContact O-N 2.92Å; I599-G603 VanDerWaalsContact O-N 3.15Å; I599-V609 HydrophobicContact CD1-CB 4.41Å; I599-V609 HydrophobicContact CD1-CG1 3.59Å; I599-Y611 HydrophobicContact CG1-CD1 4.15Å; I599-Y611 HydrophobicContact CG1-CG 4.43Å; I599-F663 HydrophobicContact CD1-CD2 4.5Å; I599-F663 HydrophobicContact CD1-CE2 4.43Å; I599-F663 HydrophobicContact CG2-CD1 4.16Å; I599-F663 HydrophobicContact CG2-CD2 4.05Å; I599-F663 HydrophobicContact CG2-CE1 3.66Å; I599-F663 HydrophobicContact CG2-CE2 3.55Å; I599-F663 HydrophobicContact CG2-CG 4.34Å; I599-F663 HydrophobicContact CG2-CZ 3.34Å |
| 600 | E | 94.9 | Very high | 95.1 | Very high | 139 Ų | 139 | 41.1 Ų | 41.1 | 65% | 0.65 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -59.3 | -42.7 | 174.6 | -70.3 | 176.2 | -176.1 | 0 | 0 | 112.5 | D596 L598 G603 | D596-E600 WeakPolarHBondContact O-CG 3.45Å; D596-E600 PolarHBondContact O-N 3.21Å; L598-E600 VanDerWaalsContact C-N 3.32Å; L598-E600 PolarHBondContact O-N 3.45Å; E600-G603 PolarHBondContact O-N 2.95Å |
| 601 | A | 96.1 | Very high | 95.2 | Very high | 20 Ų | 20 | 41.1 Ų | 41.1 | 17% | 0.165 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.3 | -32.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y569 A572 Q597 L598 I599 | Y569-A601 HydrophobicContact CD2-CB 3.85Å; Y569-A601 HydrophobicContact CE2-CB 3.81Å; A572-A601 HydrophobicContact CB-CB 3.75Å; Q597-A601 WeakPolarHBondContact O-CB 3.06Å; Q597-A601 PolarHBondContact O-N 3.29Å; L598-A601 PolarHBondContact O-N 3.42Å; I599-A601 PolarHBondContact O-N 3.27Å |
| 602 | L | 95.5 | Very high | 95.3 | Very high | 6 Ų | 6 | 38.2 Ų | 38.2 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.3 | -45.5 | 171.2 | -72 | 168.9 | 0 | 0 | 0 | 110.5 | A572 I575 L598 I599 D604 S605 T607 V609 | A572-L602 HydrophobicContact CB-CD2 4.27Å; A572-L602 HydrophobicContact CB-CG 4.37Å; A572-L602 WeakPolarHBondContact O-CD2 3.49Å; I575-L602 HydrophobicContact CB-CD2 4.18Å; L598-L602 HydrophobicContact CG-CD1 4.33Å; L598-L602 WeakPolarHBondContact O-CG 3.2Å; L598-L602 PolarHBondContact O-N 3.15Å; I599-L602 PolarHBondContact O-N 3.49Å; L602-D604 PolarHBondContact O-N 3.15Å; L602-S605 VanDerWaalsContact O-CB 3.26Å; L602-S605 WeakPolarHBondContact O-CB 3.34Å; L602-S605 PolarHBondContact O-N 2.83Å; L602-S605 VanDerWaalsContact O-N 3.08Å; L602-S605 PolarHBondContact O-OG 3.2Å; L602-T607 HydrophobicContact CD2-CG2 4.3Å; L602-V609 HydrophobicContact CD1-CG2 3.62Å |
| 603 | G | 87 | Confident | 95.3 | Very high | 45 Ų | 45 | 38.1 Ų | 38.1 | 46% | 0.464 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | -121.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | I599 E600 | I599-G603 PolarHBondContact O-N 2.92Å; I599-G603 VanDerWaalsContact O-N 3.15Å; E600-G603 PolarHBondContact O-N 2.95Å |
| 604 | D | 86.2 | Confident | 95.3 | Very high | 132 Ų | 132 | 30.6 Ų | 30.6 | 71% | 0.706 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93 | 16.5 | -179.2 | 68.4 | -30 | 0 | 0 | 0 | 114.2 | R573 L602 G606 | R573-D604 IonicContact NH1-OD1 3.73Å; R573-D604 IonicContact NH2-OD1 3.34Å; L602-D604 PolarHBondContact O-N 3.15Å; D604-G606 PolarHBondContact O-N 3.06Å |
| 605 | S | 91.2 | Very high | 95.1 | Very high | 49 Ų | 49 | 31.1 Ų | 31.1 | 34% | 0.343 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -56.2 | -16.6 | -178.7 | 63.2 | 0 | 0 | 0 | 0 | 114.4 | L602 T607 | L602-S605 VanDerWaalsContact O-CB 3.26Å; L602-S605 WeakPolarHBondContact O-CB 3.34Å; L602-S605 PolarHBondContact O-N 2.83Å; L602-S605 VanDerWaalsContact O-N 3.08Å; L602-S605 PolarHBondContact O-OG 3.2Å; S605-T607 PolarHBondContact O-N 3.37Å; S605-T607 WeakPolarHBondContact OG-CB 3.19Å; S605-T607 PolarHBondContact OG-N 2.98Å; S605-T607 PolarHBondContact OG-OG1 3.22Å |
| 606 | G | 92.2 | Very high | 94.9 | Very high | 43 Ų | 43 | 38.8 Ų | 38.8 | 44% | 0.443 | 22% | 0.224 | S | C | . | . | trans | 78.2 | 4.9 | -175 | 0 | 0 | 0 | 0 | 0 | 113.4 | D604 P608 | D604-G606 PolarHBondContact O-N 3.06Å; G606-P608 WeakPolarHBondContact O-CD 3.26Å | ||
| 607 | T | 95 | Very high | 94.8 | Very high | 7 Ų | 7 | 36.2 Ų | 36.2 | 4% | 0.043 | 21% | 0.21 | C | C | . | . | trans | -61.5 | 122.7 | 177 | -50.9 | 0 | 0 | 0 | 0 | 109.7 | I575 Q577 L602 S605 V609 | I575-T607 HydrophobicContact CB-CG2 4.44Å; I575-T607 HydrophobicContact CG2-CG2 3.82Å; I575-T607 WeakPolarHBondContact O-CG2 3.42Å; I575-T607 PolarHBondContact O-OG1 2.9Å; Q577-T607 WeakPolarHBondContact O-CG2 3.46Å; L602-T607 HydrophobicContact CD2-CG2 4.3Å; S605-T607 PolarHBondContact O-N 3.37Å; S605-T607 WeakPolarHBondContact OG-CB 3.19Å; S605-T607 PolarHBondContact OG-N 2.98Å; S605-T607 PolarHBondContact OG-OG1 3.22Å; T607-V609 HydrophobicContact CG2-CG2 4.1Å; T607-V609 PolarHBondContact O-N 2.85Å | ||
| 608 | P | 96.2 | Very high | 94.6 | Very high | 60 Ų | 60 | 36.3 Ų | 36.3 | 39% | 0.39 | 21% | 0.213 | S | C | . | . | trans | -68.1 | 113.9 | 175.6 | -18.6 | 32.3 | 0 | 0 | 0 | 110.3 | P578 L579 G606 F663 | P578-P608 CarbonylContact C-O 3.53Å; P578-P608 VanDerWaalsContact CA-O 3.3Å; P578-P608 WeakPolarHBondContact CA-O 3.47Å; P578-P608 HydrophobicContact CB-CB 4.42Å; P578-P608 HydrophobicContact CG-CB 4.49Å; P578-P608 HydrophobicContact CG-CG 4.45Å; L579-P608 PolarHBondContact N-O 3.03Å; G606-P608 WeakPolarHBondContact O-CD 3.26Å; P608-F663 CarbonylContact C-O 3.48Å; P608-F663 VanDerWaalsContact CA-O 3.27Å; P608-F663 WeakPolarHBondContact CA-O 3.4Å | ||
| 609 | V | 97.6 | Very high | 94.4 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 136.6 | 177.3 | -172.2 | 0 | 0 | 0 | 0 | 110.7 | L579 V581 I599 L602 T607 T662 F663 | L579-V609 HydrophobicContact CB-CG2 4.37Å; L579-V609 CarbonylContact O-C 3.51Å; L579-V609 VanDerWaalsContact O-CA 3.27Å; L579-V609 WeakPolarHBondContact O-CA 3.36Å; V581-V609 HydrophobicContact CG2-CG1 3.9Å; I599-V609 HydrophobicContact CD1-CB 4.41Å; I599-V609 HydrophobicContact CD1-CG1 3.59Å; L602-V609 HydrophobicContact CD1-CG2 3.62Å; T607-V609 HydrophobicContact CG2-CG2 4.1Å; T607-V609 PolarHBondContact O-N 2.85Å; V609-T662 CarbonylContact O-C 3.13Å; V609-T662 VanDerWaalsContact O-CA 3.23Å; V609-T662 WeakPolarHBondContact O-CA 3.05Å; V609-F663 HydrophobicContact CB-CB 4.09Å; V609-F663 HydrophobicContact CB-CD2 4.16Å; V609-F663 PolarHBondContact N-O 2.69Å; V609-F663 PolarHBondContact O-N 3.32Å |
| 610 | T | 97.4 | Very high | 94.2 | Very high | 29 Ų | 29 | 38.1 Ų | 38.1 | 18% | 0.178 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 120.5 | 165.9 | -58.1 | 0 | 0 | 0 | 0 | 107.9 | L579 L580 V581 L612 V633 F660 E661 T662 | L579-T610 PolarHBondContact O-N 3.1Å; L580-T610 CarbonylContact C-O 3.6Å; L580-T610 WeakPolarHBondContact CA-O 3.44Å; L580-T610 HydrophobicContact CD1-CG2 3.82Å; V581-T610 PolarHBondContact N-O 3.33Å; T610-L612 HydrophobicContact CG2-CD1 3.62Å; T610-V633 HydrophobicContact CG2-CG1 4.3Å; T610-F660 HydrophobicContact CG2-CE1 4.24Å; T610-F660 HydrophobicContact CG2-CE2 3.81Å; T610-F660 HydrophobicContact CG2-CZ 3.56Å; T610-E661 WeakPolarHBondContact CA-O 3.47Å; T610-T662 HydrophobicContact CG2-CG2 4.28Å |
| 611 | Y | 97.5 | Very high | 94.1 | Very high | 7 Ų | 7 | 32.5 Ų | 32.5 | 3% | 0.027 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 121.1 | -178.3 | 179.4 | -149.4 | 0 | 0 | 0 | 110.6 | V581 Q583 D596 I599 L613 F660 E661 | V581-Y611 HydrophobicContact CB-CD2 3.87Å; V581-Y611 HydrophobicContact CG1-CD2 3.73Å; V581-Y611 HydrophobicContact CG1-CE2 3.98Å; V581-Y611 WeakPolarHBondContact O-CA 3.33Å; Q583-Y611 HydrophobicContact CB-CE2 3.74Å; D596-Y611 PolarHBondContact OD1-OH 2.47Å; I599-Y611 HydrophobicContact CG1-CD1 4.15Å; I599-Y611 HydrophobicContact CG1-CG 4.43Å; Y611-L613 HydrophobicContact CE1-CB 4.42Å; Y611-L613 HydrophobicContact CE2-CB 4.22Å; Y611-F660 WeakPolarHBondContact O-CA 3.27Å; Y611-E661 PolarHBondContact N-O 3.15Å; Y611-E661 PolarHBondContact O-N 2.67Å |
| 612 | L | 97.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 113.5 | 175.6 | -82.5 | 66.5 | 0 | 0 | 0 | 109.5 | L580 V581 L582 Q583 T610 F614 F630 V633 V658 I659 F660 | L580-L612 HydrophobicContact CD1-CD1 3.88Å; V581-L612 PolarHBondContact O-N 2.85Å; L582-L612 CarbonylContact C-O 3.58Å; L582-L612 WeakPolarHBondContact CA-O 3.46Å; L582-L612 HydrophobicContact CD1-CB 4.3Å; Q583-L612 PolarHBondContact N-O 2.78Å; T610-L612 HydrophobicContact CG2-CD1 3.62Å; L612-F614 HydrophobicContact CB-CE2 4.04Å; L612-F614 HydrophobicContact CD2-CE2 4.17Å; L612-F614 HydrophobicContact CD2-CZ 4.42Å; L612-F630 HydrophobicContact CD2-CD2 4.24Å; L612-V633 HydrophobicContact CD1-CG1 4.05Å; L612-V633 HydrophobicContact CD2-CB 4.06Å; L612-V633 HydrophobicContact CD2-CG1 4.17Å; L612-V633 HydrophobicContact CD2-CG2 4.02Å; L612-V658 HydrophobicContact CB-CG2 4.08Å; L612-V658 HydrophobicContact CG-CG2 4.1Å; L612-I659 WeakPolarHBondContact CA-O 3.46Å; L612-F660 HydrophobicContact CD1-CD2 3.62Å; L612-F660 HydrophobicContact CD1-CE2 3.66Å; L612-F660 HydrophobicContact CG-CD2 3.92Å; L612-F660 HydrophobicContact CG-CE2 4.34Å |
| 613 | L | 97.6 | Very high | 93.2 | Very high | 16 Ų | 16 | 40.8 Ų | 40.8 | 8% | 0.084 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 117.5 | 174.8 | 174.1 | 65.4 | 0 | 0 | 0 | 109.8 | Q583 L585 Y611 P615 I659 | Q583-L613 HydrophobicContact CB-CD1 3.96Å; Q583-L613 HydrophobicContact CG-CD1 3.95Å; Q583-L613 WeakPolarHBondContact O-CA 3.24Å; L585-L613 HydrophobicContact CB-CD1 3.96Å; L585-L613 HydrophobicContact CB-CG 4.49Å; L585-L613 HydrophobicContact CD1-CD1 4.38Å; L585-L613 HydrophobicContact CD1-CD2 4.37Å; Y611-L613 HydrophobicContact CE1-CB 4.42Å; Y611-L613 HydrophobicContact CE2-CB 4.22Å; L613-P615 WeakPolarHBondContact O-CD 2.94Å; L613-I659 HydrophobicContact CB-CB 4.17Å; L613-I659 HydrophobicContact CD2-CD1 3.97Å; L613-I659 HydrophobicContact CG-CD1 4.42Å; L613-I659 PolarHBondContact N-O 2.71Å; L613-I659 PolarHBondContact O-N 3.13Å |
| 614 | F | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 110.6 | 179.8 | -75.1 | -93.3 | 0 | 0 | 0 | 110.9 | L582 Q583 L585 L612 Y616 E617 L621 N626 F630 V656 V658 | L582-F614 HydrophobicContact CD1-CD2 3.36Å; L582-F614 HydrophobicContact CD1-CE2 3.33Å; Q583-F614 PolarHBondContact O-N 2.85Å; L585-F614 PolarHBondContact N-O 2.88Å; L612-F614 HydrophobicContact CB-CE2 4.04Å; L612-F614 HydrophobicContact CD2-CE2 4.17Å; L612-F614 HydrophobicContact CD2-CZ 4.42Å; F614-Y616 PolarHBondContact O-N 2.82Å; F614-Y616 VanDerWaalsContact O-N 3.1Å; F614-E617 HydrophobicContact CB-CB 3.78Å; F614-E617 HydrophobicContact CB-CG 3.66Å; F614-E617 HydrophobicContact CD1-CG 4.46Å; F614-E617 HydrophobicContact CG-CG 4.23Å; F614-E617 PolarHBondContact O-N 2.76Å; F614-L621 HydrophobicContact CD2-CD2 4.01Å; F614-L621 HydrophobicContact CE2-CD2 4.3Å; F614-L621 HydrophobicContact CG-CD2 4.17Å; F614-N626 HydrophobicContact CD1-CB 3.76Å; F614-N626 HydrophobicContact CE1-CB 3.55Å; F614-N626 HydrophobicContact CZ-CB 4.35Å; F614-F630 HydrophobicContact CE2-CB 4.4Å; F614-F630 HydrophobicContact CZ-CB 4.32Å; F614-V656 HydrophobicContact CD1-CG1 4.27Å; F614-V656 HydrophobicContact CE1-CG1 3.56Å; F614-V656 HydrophobicContact CZ-CG1 4.49Å; F614-V658 HydrophobicContact CD1-CB 4.17Å; F614-V658 HydrophobicContact CD1-CG2 4.29Å; F614-V658 HydrophobicContact CD2-CG2 4.17Å; F614-V658 HydrophobicContact CE1-CB 3.97Å; F614-V658 HydrophobicContact CE1-CG2 4.09Å; F614-V658 HydrophobicContact CE2-CG2 3.94Å; F614-V658 HydrophobicContact CG-CG2 4.36Å; F614-V658 HydrophobicContact CZ-CB 4.25Å; F614-V658 HydrophobicContact CZ-CG2 3.91Å |
| 615 | P | 95.3 | Very high | 93.6 | Very high | 14 Ų | 14 | 36.3 Ų | 36.3 | 9% | 0.091 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -16.6 | -171.2 | -29.1 | 41.9 | 0 | 0 | 0 | 115.9 | L585 L613 F657 I659 | L585-P615 HydrophobicContact CD2-CB 4.02Å; L613-P615 WeakPolarHBondContact O-CD 2.94Å; P615-F657 HydrophobicContact CB-CD1 3.94Å; P615-F657 HydrophobicContact CB-CE1 4.08Å; P615-F657 VanDerWaalsContact CD-O 3.22Å; P615-F657 WeakPolarHBondContact CD-O 3.48Å; P615-F657 HydrophobicContact CG-CD1 3.58Å; P615-F657 HydrophobicContact CG-CE1 3.75Å; P615-I659 HydrophobicContact CG-CD1 4.11Å; P615-I659 HydrophobicContact CG-CG1 4.29Å |
| 616 | Y | 92 | Very high | 93.8 | Very high | 160 Ų | 160 | 34.6 Ų | 34.6 | 63% | 0.627 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -119.1 | 11.8 | -175.8 | -56.2 | -63.9 | 0 | 0 | 0 | 113.6 | F614 F657 | F614-Y616 PolarHBondContact O-N 2.82Å; F614-Y616 VanDerWaalsContact O-N 3.1Å; Y616-F657 HydrophobicContact CD2-CB 4.37Å; Y616-F657 HydrophobicContact CD2-CD1 4.19Å; Y616-F657 HydrophobicContact CE2-CB 4.18Å; Y616-F657 AromaticContact CE2-CD1 3.58Å; Y616-F657 HydrophobicContact CE2-CD1 3.58Å; Y616-F657 HydrophobicContact CE2-CE1 4.21Å; Y616-F657 AromaticContact CE2-CG 3.99Å; Y616-F657 HydrophobicContact CE2-CG 3.99Å |
| 617 | E | 94.9 | Very high | 93.9 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.019 | 18% | 0.184 | C | C | . | . | trans | -106.6 | 150.9 | 176.6 | -66.1 | -72.8 | 176 | 0 | 0 | 110.9 | G584 L585 L586 F614 L621 M622 T623 N626 | G584-E617 CarbonylContact C-O 3.57Å; G584-E617 VanDerWaalsContact C-O 3.28Å; G584-E617 VanDerWaalsContact CA-O 3.28Å; G584-E617 WeakPolarHBondContact CA-O 3.46Å; L585-E617 PolarHBondContact N-O 3.41Å; L586-E617 WeakPolarHBondContact CA-O 3.45Å; L586-E617 WeakPolarHBondContact CB-O 3.3Å; L586-E617 PolarHBondContact N-O 3.02Å; F614-E617 HydrophobicContact CB-CB 3.78Å; F614-E617 HydrophobicContact CB-CG 3.66Å; F614-E617 HydrophobicContact CD1-CG 4.46Å; F614-E617 HydrophobicContact CG-CG 4.23Å; F614-E617 PolarHBondContact O-N 2.76Å; E617-L621 HydrophobicContact CB-CD2 4.15Å; E617-L621 HydrophobicContact CG-CD2 3.7Å; E617-M622 PolarHBondContact OE2-N 3.47Å; E617-T623 WeakPolarHBondContact OE1-CA 3.32Å; E617-T623 WeakPolarHBondContact OE1-CB 3.38Å; E617-T623 PolarHBondContact OE1-N 2.88Å; E617-T623 PolarHBondContact OE1-OG1 3.39Å; E617-N626 HydrophobicContact CG-CB 4.48Å; E617-N626 WeakPolarHBondContact CG-ND2 3.33Å; E617-N626 PolarHBondContact OE1-ND2 3.12Å | ||
| 618 | G | 92.7 | Very high | 94 | Very high | 9 Ų | 9 | 35.8 Ų | 35.8 | 9% | 0.093 | 18% | 0.184 | C | C | . | . | trans | -101.9 | -142.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G620 | G618-G620 PolarHBondContact O-N 2.99Š| ||
| 619 | H | 94 | Very high | 94 | Very high | 43 Ų | 43 | 33 Ų | 33 | 20% | 0.199 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -72.1 | 89.2 | 172.7 | -158.8 | 68.8 | 0 | 0 | 0 | 111.5 | S499 F523 D587 R589 V590 | S499-H619 VanDerWaalsContact CB-NE2 3.31Å; S499-H619 WeakPolarHBondContact CB-NE2 3.5Å; S499-H619 PolarHBondContact OG-NE2 2.82Å; S499-H619 VanDerWaalsContact OG-NE2 3.07Å; F523-H619 AromaticContact CD2-CE1 3.32Å; F523-H619 WeakPolarHBondContact CD2-CE1 3.3Å; F523-H619 AromaticContact CD2-ND1 3.62Å; F523-H619 AromaticContact CD2-NE2 3.82Å; F523-H619 AromaticContact CE2-CE1 3.97Å; D587-H619 VanDerWaalsContact CG-ND1 3.31Å; D587-H619 VanDerWaalsContact OD1-CB 3.28Å; D587-H619 WeakPolarHBondContact OD1-CB 3.44Å; D587-H619 IonicContact OD1-CG 3.46Å; D587-H619 IonicContact OD1-ND1 3.53Å; D587-H619 PolarHBondContact OD1-ND1 3.46Å; D587-H619 VanDerWaalsContact OD1-ND1 3.17Å; D587-H619 WeakPolarHBondContact OD2-CA 3.32Å; D587-H619 IonicContact OD2-CE1 2.72Å; D587-H619 IonicContact OD2-CG 3.77Å; D587-H619 IonicContact OD2-ND1 3.39Å; D587-H619 PolarHBondContact OD2-ND1 3.28Å; R589-H619 HydrophobicContact CB-CB 4.17Å; R589-H619 HydrophobicContact CG-CB 4.16Å; V590-H619 VanDerWaalsContact CG2-CE1 3.49Å; V590-H619 WeakPolarHBondContact CG2-CE1 3.39Å |
| 620 | G | 91.7 | Very high | 94 | Very high | 15 Ų | 15 | 32.9 Ų | 32.9 | 16% | 0.155 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 120.6 | 179.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F523 G618 | F523-G620 VanDerWaalsContact CE1-CA 3.48Å; G618-G620 PolarHBondContact O-N 2.99Å |
| 621 | L | 91 | Very high | 94 | Very high | 21 Ų | 21 | 31.9 Ų | 31.9 | 11% | 0.11 | 16% | 0.159 | C | C | . | . | trans | -116.3 | 100 | 173.7 | -69.1 | 179.8 | 0 | 0 | 0 | 109.7 | L582 F614 E617 N626 R627 F630 | L582-L621 HydrophobicContact CD1-CD1 4.32Å; L582-L621 HydrophobicContact CD1-CD2 4.26Å; L582-L621 HydrophobicContact CD2-CD1 3.7Å; L582-L621 HydrophobicContact CD2-CD2 4.46Å; L582-L621 HydrophobicContact CD2-CG 3.95Å; F614-L621 HydrophobicContact CD2-CD2 4.01Å; F614-L621 HydrophobicContact CE2-CD2 4.3Å; F614-L621 HydrophobicContact CG-CD2 4.17Å; E617-L621 HydrophobicContact CB-CD2 4.15Å; E617-L621 HydrophobicContact CG-CD2 3.7Å; L621-N626 HydrophobicContact CD2-CB 4.33Å; L621-R627 HydrophobicContact CB-CG 3.53Å; L621-R627 HydrophobicContact CD1-CG 4.47Å; L621-R627 VanDerWaalsContact O-CD 3.22Å; L621-R627 WeakPolarHBondContact O-CD 3.09Å; L621-R627 VanDerWaalsContact O-CG 3.27Å; L621-R627 WeakPolarHBondContact O-CG 3.23Å; L621-F630 HydrophobicContact CD1-CB 3.46Å; L621-F630 VanDerWaalsContact CD1-CB 3.46Å; L621-F630 HydrophobicContact CD1-CD1 3.89Å; L621-F630 HydrophobicContact CD1-CG 3.75Å | ||
| 622 | M | 85.3 | Confident | 94 | Very high | 142 Ų | 142 | 31.7 Ų | 31.7 | 70% | 0.7 | 16% | 0.158 | S | C | * | . | trans | -87 | -31.7 | -178.3 | -68 | -58.2 | -61 | 0 | 0 | 112 | E617 P624 | E617-M622 PolarHBondContact OE2-N 3.47Å; M622-P624 WeakPolarHBondContact O-CD 3.3Å | ||
| 623 | T | 88.6 | Confident | 94 | Very high | 58 Ų | 58 | 32.1 Ų | 32.1 | 36% | 0.356 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -78.4 | 123.1 | -177.8 | -47.8 | 0 | 0 | 0 | 0 | 110.3 | E617 I625 N626 R627 | E617-T623 WeakPolarHBondContact OE1-CA 3.32Å; E617-T623 WeakPolarHBondContact OE1-CB 3.38Å; E617-T623 PolarHBondContact OE1-N 2.88Å; E617-T623 PolarHBondContact OE1-OG1 3.39Å; T623-I625 VanDerWaalsContact C-N 3.31Å; T623-I625 HydrophobicContact CG2-CG2 3.91Å; T623-I625 PolarHBondContact O-N 3.05Å; T623-N626 PolarHBondContact O-N 3.3Å; T623-N626 VanDerWaalsContact O-N 3.1Å; T623-R627 PolarHBondContact O-N 2.88Å |
| 624 | P | 89.8 | Confident | 94 | Very high | 21 Ų | 21 | 31.3 Ų | 31.3 | 14% | 0.136 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.5 | -37.6 | -176.1 | -29.9 | 37.5 | 0 | 0 | 0 | 115 | R29 M622 R627 V628 | R29-P624 HydrophobicContact CG-CB 3.83Å; R29-P624 HydrophobicContact CG-CG 4Å; M622-P624 WeakPolarHBondContact O-CD 3.3Å; P624-R627 PolarHBondContact O-N 2.76Å; P624-V628 WeakPolarHBondContact O-CG2 3.38Å; P624-V628 PolarHBondContact O-N 3.46Å |
| 625 | I | 92.1 | Very high | 94 | Very high | 61 Ų | 61 | 31.5 Ų | 31.5 | 31% | 0.313 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -68.9 | -37.3 | 178.9 | -160.1 | 173.2 | 0 | 0 | 0 | 111.7 | T623 R627 V628 A629 D655 V656 | T623-I625 VanDerWaalsContact C-N 3.31Å; T623-I625 HydrophobicContact CG2-CG2 3.91Å; T623-I625 PolarHBondContact O-N 3.05Å; I625-R627 VanDerWaalsContact C-N 3.33Å; I625-R627 PolarHBondContact O-N 3.46Å; I625-V628 PolarHBondContact O-N 3.35Å; I625-A629 WeakPolarHBondContact O-CB 3.35Å; I625-A629 PolarHBondContact O-N 2.85Å; I625-D655 HydrophobicContact CD1-CB 3.7Å; I625-V656 HydrophobicContact CB-CG2 4.38Å; I625-V656 HydrophobicContact CD1-CG2 3.99Å; I625-V656 HydrophobicContact CG1-CG2 3.67Å; I625-V656 HydrophobicContact CG2-CG2 4.11Å |
| 626 | N | 94.7 | Very high | 94.1 | Very high | 14 Ų | 14 | 34 Ų | 34 | 8% | 0.075 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.1 | -36.7 | 175.1 | -64.6 | -4.1 | 0 | 0 | 0 | 111.2 | F614 E617 L621 T623 F630 V656 | F614-N626 HydrophobicContact CD1-CB 3.76Å; F614-N626 HydrophobicContact CE1-CB 3.55Å; F614-N626 HydrophobicContact CZ-CB 4.35Å; E617-N626 HydrophobicContact CG-CB 4.48Å; E617-N626 WeakPolarHBondContact CG-ND2 3.33Å; E617-N626 PolarHBondContact OE1-ND2 3.12Å; L621-N626 HydrophobicContact CD2-CB 4.33Å; T623-N626 PolarHBondContact O-N 3.3Å; T623-N626 VanDerWaalsContact O-N 3.1Å; N626-F630 WeakPolarHBondContact O-CB 3.4Å; N626-F630 PolarHBondContact O-N 3.43Å; N626-V656 WeakPolarHBondContact OD1-CG1 3.41Å |
| 627 | R | 95.4 | Very high | 94.3 | Very high | 66 Ų | 66 | 27.2 Ų | 27.2 | 25% | 0.249 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.4 | -48.7 | 171.4 | -66 | -171.7 | -61.7 | -153.4 | 5.4 | 111.9 | F27 L621 T623 P624 I625 A629 F630 F631 | F27-R627 HydrophobicContact CB-CB 3.88Å; F27-R627 PolarHBondContact O-NE 2.82Å; F27-R627 PolarHBondContact O-NH2 3.25Å; L621-R627 HydrophobicContact CB-CG 3.53Å; L621-R627 HydrophobicContact CD1-CG 4.47Å; L621-R627 VanDerWaalsContact O-CD 3.22Å; L621-R627 WeakPolarHBondContact O-CD 3.09Å; L621-R627 VanDerWaalsContact O-CG 3.27Å; L621-R627 WeakPolarHBondContact O-CG 3.23Å; T623-R627 PolarHBondContact O-N 2.88Å; P624-R627 PolarHBondContact O-N 2.76Å; I625-R627 VanDerWaalsContact C-N 3.33Å; I625-R627 PolarHBondContact O-N 3.46Å; R627-A629 VanDerWaalsContact C-N 3.33Å; R627-A629 PolarHBondContact O-N 3.47Å; R627-F630 PolarHBondContact O-N 3.12Å; R627-F631 WeakPolarHBondContact O-CB 3.39Å; R627-F631 VanDerWaalsContact O-CD2 3.26Å; R627-F631 WeakPolarHBondContact O-CD2 3.25Å; R627-F631 PolarHBondContact O-N 3.28Å |
| 628 | V | 95.8 | Very high | 94.5 | Very high | 9 Ų | 9 | 27 Ų | 27 | 6% | 0.055 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.4 | -46.6 | 177.6 | 169.7 | 0 | 0 | 0 | 0 | 110.6 | R23 F27 P624 I625 F631 A632 E652 | R23-V628 HydrophobicContact CB-CG1 4.14Å; F27-V628 HydrophobicContact CB-CG2 4.01Å; P624-V628 WeakPolarHBondContact O-CG2 3.38Å; P624-V628 PolarHBondContact O-N 3.46Å; I625-V628 PolarHBondContact O-N 3.35Å; V628-F631 PolarHBondContact O-N 2.67Å; V628-A632 WeakPolarHBondContact O-CB 3.25Å; V628-A632 PolarHBondContact O-N 2.58Å; V628-E652 HydrophobicContact CG1-CG 4.04Å |
| 629 | A | 96.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.7 | -50.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | I625 R627 F631 A632 V633 E652 L653 V656 | I625-A629 WeakPolarHBondContact O-CB 3.35Å; I625-A629 PolarHBondContact O-N 2.85Å; R627-A629 VanDerWaalsContact C-N 3.33Å; R627-A629 PolarHBondContact O-N 3.47Å; A629-F631 PolarHBondContact O-N 2.97Å; A629-A632 WeakPolarHBondContact O-CB 3.4Å; A629-A632 PolarHBondContact O-N 2.99Å; A629-V633 PolarHBondContact O-N 3.42Å; A629-V633 VanDerWaalsContact O-N 3.12Å; A629-E652 WeakPolarHBondContact CB-O 3.28Å; A629-L653 HydrophobicContact CB-CD2 3.99Å; A629-V656 HydrophobicContact CB-CB 4.31Å; A629-V656 HydrophobicContact CB-CG1 4.04Å; A629-V656 HydrophobicContact CB-CG2 3.9Å |
| 630 | F | 97.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.9 | -47 | 177.6 | 169.4 | -104.9 | 0 | 0 | 0 | 111.6 | I520 M522 L580 L582 L612 F614 L621 N626 R627 A632 V633 A634 | I520-F630 HydrophobicContact CG2-CZ 3.94Å; M522-F630 HydrophobicContact CE-CD1 4.15Å; M522-F630 HydrophobicContact CE-CE1 3.53Å; M522-F630 HydrophobicContact CE-CZ 4.01Å; M522-F630 HydrophobicContact CG-CE1 4.16Å; M522-F630 HydrophobicContact CG-CE2 4.42Å; M522-F630 HydrophobicContact CG-CZ 3.64Å; M522-F630 HydrophobicContact SD-CE1 3.61Å; M522-F630 HydrophobicContact SD-CZ 3.7Å; L580-F630 HydrophobicContact CD2-CE2 3.97Å; L580-F630 HydrophobicContact CD2-CZ 4.43Å; L580-F630 HydrophobicContact CG-CE2 4.35Å; L582-F630 HydrophobicContact CB-CD2 3.98Å; L582-F630 HydrophobicContact CB-CE2 3.58Å; L582-F630 HydrophobicContact CB-CZ 4.25Å; L582-F630 HydrophobicContact CD1-CD2 3.87Å; L582-F630 HydrophobicContact CD1-CE2 4.36Å; L582-F630 HydrophobicContact CD1-CG 4.39Å; L582-F630 HydrophobicContact CD2-CD1 4.14Å; L582-F630 HydrophobicContact CD2-CD2 3.78Å; L582-F630 HydrophobicContact CD2-CE1 4.13Å; L582-F630 HydrophobicContact CD2-CE2 3.78Å; L582-F630 HydrophobicContact CD2-CG 3.96Å; L582-F630 HydrophobicContact CD2-CZ 3.94Å; L582-F630 HydrophobicContact CG-CD2 4.09Å; L582-F630 HydrophobicContact CG-CE2 4.1Å; L612-F630 HydrophobicContact CD2-CD2 4.24Å; F614-F630 HydrophobicContact CE2-CB 4.4Å; F614-F630 HydrophobicContact CZ-CB 4.32Å; L621-F630 HydrophobicContact CD1-CB 3.46Å; L621-F630 VanDerWaalsContact CD1-CB 3.46Å; L621-F630 HydrophobicContact CD1-CD1 3.89Å; L621-F630 HydrophobicContact CD1-CG 3.75Å; N626-F630 WeakPolarHBondContact O-CB 3.4Å; N626-F630 PolarHBondContact O-N 3.43Å; R627-F630 PolarHBondContact O-N 3.12Å; F630-A632 VanDerWaalsContact C-N 3.28Å; F630-A632 PolarHBondContact O-N 3.5Å; F630-V633 PolarHBondContact O-N 2.91Å; F630-V633 VanDerWaalsContact O-N 3.14Å; F630-A634 HydrophobicContact CE1-CB 4.4Å; F630-A634 HydrophobicContact CZ-CB 4.28Å; F630-A634 WeakPolarHBondContact O-CB 3.41Å; F630-A634 PolarHBondContact O-N 2.86Å |
| 631 | F | 97.1 | Very high | 95 | Very high | 9 Ų | 9 | 32.7 Ų | 32.7 | 4% | 0.039 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.9 | -23.9 | -179.7 | -80.6 | -71.2 | 0 | 0 | 0 | 113.2 | F27 V433 F436 F437 R627 V628 A629 E635 | F27-F631 AromaticContact CD1-CD2 3.75Å; F27-F631 HydrophobicContact CD1-CD2 3.75Å; F27-F631 AromaticContact CD1-CE2 3.74Å; F27-F631 HydrophobicContact CD1-CE2 3.74Å; F27-F631 HydrophobicContact CD2-CB 3.76Å; F27-F631 AromaticContact CD2-CD2 3.51Å; F27-F631 HydrophobicContact CD2-CD2 3.51Å; F27-F631 HydrophobicContact CD2-CE2 4.3Å; F27-F631 AromaticContact CD2-CG 3.72Å; F27-F631 HydrophobicContact CD2-CG 3.72Å; F27-F631 AromaticContact CE1-CD2 3.66Å; F27-F631 HydrophobicContact CE1-CD2 3.66Å; F27-F631 HydrophobicContact CE1-CE1 4.42Å; F27-F631 AromaticContact CE1-CE2 3.41Å; F27-F631 HydrophobicContact CE1-CE2 3.41Å; F27-F631 VanDerWaalsContact CE1-CE2 3.41Å; F27-F631 HydrophobicContact CE1-CG 4.29Å; F27-F631 AromaticContact CE1-CZ 3.84Å; F27-F631 HydrophobicContact CE1-CZ 3.84Å; F27-F631 HydrophobicContact CE2-CB 3.61Å; F27-F631 AromaticContact CE2-CD1 3.77Å; F27-F631 HydrophobicContact CE2-CD1 3.77Å; F27-F631 AromaticContact CE2-CD2 3.39Å; F27-F631 HydrophobicContact CE2-CD2 3.39Å; F27-F631 HydrophobicContact CE2-CE1 4.31Å; F27-F631 AromaticContact CE2-CE2 3.98Å; F27-F631 HydrophobicContact CE2-CE2 3.98Å; F27-F631 AromaticContact CE2-CG 3.29Å; F27-F631 HydrophobicContact CE2-CG 3.29Å; F27-F631 HydrophobicContact CE2-CZ 4.41Å; F27-F631 AromaticContact CG-CD2 3.68Å; F27-F631 HydrophobicContact CG-CD2 3.68Å; F27-F631 HydrophobicContact CG-CE2 4.18Å; F27-F631 HydrophobicContact CG-CG 4.35Å; F27-F631 HydrophobicContact CZ-CB 4.43Å; F27-F631 AromaticContact CZ-CD1 3.79Å; F27-F631 HydrophobicContact CZ-CD1 3.79Å; F27-F631 AromaticContact CZ-CD2 3.47Å; F27-F631 HydrophobicContact CZ-CD2 3.47Å; F27-F631 VanDerWaalsContact CZ-CD2 3.47Å; F27-F631 AromaticContact CZ-CE1 3.84Å; F27-F631 HydrophobicContact CZ-CE1 3.84Å; F27-F631 AromaticContact CZ-CE2 3.54Å; F27-F631 HydrophobicContact CZ-CE2 3.54Å; F27-F631 AromaticContact CZ-CG 3.62Å; F27-F631 HydrophobicContact CZ-CG 3.62Å; F27-F631 AromaticContact CZ-CZ 3.73Å; F27-F631 HydrophobicContact CZ-CZ 3.73Å; V433-F631 HydrophobicContact CG1-CE1 3.98Å; V433-F631 HydrophobicContact CG1-CZ 4.22Å; V433-F631 HydrophobicContact CG2-CE1 4.18Å; V433-F631 HydrophobicContact CG2-CE2 4.47Å; V433-F631 HydrophobicContact CG2-CZ 3.62Å; F436-F631 AromaticContact CD1-CD1 3.88Å; F436-F631 HydrophobicContact CD1-CD1 3.88Å; F436-F631 HydrophobicContact CD1-CE1 4.48Å; F436-F631 HydrophobicContact CE1-CB 4.04Å; F436-F631 AromaticContact CE1-CD1 3.75Å; F436-F631 HydrophobicContact CE1-CD1 3.75Å; F436-F631 HydrophobicContact CE1-CG 4.28Å; F436-F631 HydrophobicContact CZ-CB 3.98Å; F437-F631 HydrophobicContact CE2-CE1 4.42Å; F437-F631 HydrophobicContact CZ-CD1 4.28Å; F437-F631 HydrophobicContact CZ-CE1 4.07Å; R627-F631 WeakPolarHBondContact O-CB 3.39Å; R627-F631 VanDerWaalsContact O-CD2 3.26Å; R627-F631 WeakPolarHBondContact O-CD2 3.25Å; R627-F631 PolarHBondContact O-N 3.28Å; V628-F631 PolarHBondContact O-N 2.67Å; A629-F631 PolarHBondContact O-N 2.97Å; F631-E635 WeakPolarHBondContact O-CB 3.29Å; F631-E635 PolarHBondContact O-N 3.02Å |
| 632 | A | 97.2 | Very high | 95.2 | Very high | 2 Ų | 2 | 32 Ų | 32 | 2% | 0.017 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.2 | -45 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | R23 V628 A629 F630 E635 K636 M649 E652 | R23-A632 VanDerWaalsContact CD-CA 3.49Å; V628-A632 WeakPolarHBondContact O-CB 3.25Å; V628-A632 PolarHBondContact O-N 2.58Å; A629-A632 WeakPolarHBondContact O-CB 3.4Å; A629-A632 PolarHBondContact O-N 2.99Å; F630-A632 VanDerWaalsContact C-N 3.28Å; F630-A632 PolarHBondContact O-N 3.5Å; A632-E635 PolarHBondContact O-N 2.88Å; A632-K636 WeakPolarHBondContact O-CB 3.26Å; A632-K636 PolarHBondContact O-N 2.86Å; A632-M649 HydrophobicContact CB-CG 4.13Å; A632-M649 HydrophobicContact CB-SD 4.2Å; A632-E652 HydrophobicContact CB-CB 3.96Å; A632-E652 HydrophobicContact CB-CG 4.01Å |
| 633 | V | 97.4 | Very high | 95.4 | Very high | 9 Ų | 9 | 31.8 Ų | 31.8 | 6% | 0.055 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.8 | -42.4 | 176.3 | 176.9 | 0 | 0 | 0 | 0 | 111.5 | L580 T610 L612 A629 F630 E635 K636 F637 M649 L653 F660 | L580-V633 HydrophobicContact CD1-CG1 3.93Å; L580-V633 HydrophobicContact CD2-CG1 4.45Å; T610-V633 HydrophobicContact CG2-CG1 4.3Å; L612-V633 HydrophobicContact CD1-CG1 4.05Å; L612-V633 HydrophobicContact CD2-CB 4.06Å; L612-V633 HydrophobicContact CD2-CG1 4.17Å; L612-V633 HydrophobicContact CD2-CG2 4.02Å; A629-V633 PolarHBondContact O-N 3.42Å; A629-V633 VanDerWaalsContact O-N 3.12Å; F630-V633 PolarHBondContact O-N 2.91Å; F630-V633 VanDerWaalsContact O-N 3.14Å; V633-E635 VanDerWaalsContact C-N 3.34Å; V633-E635 PolarHBondContact O-N 2.91Å; V633-K636 PolarHBondContact O-N 2.91Å; V633-F637 VanDerWaalsContact O-CB 3.24Å; V633-F637 WeakPolarHBondContact O-CB 3.48Å; V633-F637 PolarHBondContact O-N 2.85Å; V633-M649 HydrophobicContact CG2-SD 4.12Å; V633-L653 HydrophobicContact CG2-CD1 4.25Å; V633-L653 HydrophobicContact CG2-CD2 4.14Å; V633-F660 HydrophobicContact CG1-CE2 4.16Å; V633-F660 HydrophobicContact CG2-CE2 4.18Å |
| 634 | A | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.5 | -40.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I520 L580 F630 F637 L638 | I520-A634 HydrophobicContact CD1-CB 4.25Å; L580-A634 HydrophobicContact CD2-CB 3.8Å; F630-A634 HydrophobicContact CE1-CB 4.4Å; F630-A634 HydrophobicContact CZ-CB 4.28Å; F630-A634 WeakPolarHBondContact O-CB 3.41Å; F630-A634 PolarHBondContact O-N 2.86Å; A634-F637 PolarHBondContact O-N 3.23Å; A634-L638 WeakPolarHBondContact O-CB 3.34Å; A634-L638 VanDerWaalsContact O-CG 3.31Å; A634-L638 WeakPolarHBondContact O-CG 3.34Å; A634-L638 PolarHBondContact O-N 2.92Å |
| 635 | E | 97 | Very high | 95.2 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 1% | 0.014 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63 | -46.8 | 174 | 176 | 175.3 | -156.8 | 0 | 0 | 111.8 | R23 F436 R440 F631 A632 V633 F637 L638 H639 M646 E647 | R23-E635 IonicContact CZ-OE2 2.65Å; R23-E635 IonicContact NE-OE2 3.31Å; R23-E635 IonicContact NH1-OE1 3.55Å; R23-E635 IonicContact NH1-OE2 3.24Å; R23-E635 PolarHBondContact NH1-OE2 3.35Å; F436-E635 HydrophobicContact CE1-CB 4.3Å; F436-E635 HydrophobicContact CZ-CB 3.93Å; F436-E635 HydrophobicContact CZ-CG 4.4Å; R440-E635 HydrophobicContact CG-CG 4.15Å; R440-E635 WeakPolarHBondContact CG-OE1 3.4Å; R440-E635 IonicContact CZ-OE1 2.69Å; R440-E635 IonicContact CZ-OE2 3.6Å; R440-E635 VanDerWaalsContact NE-CD 3.28Å; R440-E635 IonicContact NE-OE1 3.36Å; R440-E635 PolarHBondContact NE-OE1 3.48Å; R440-E635 IonicContact NE-OE2 2.75Å; R440-E635 IonicContact NH2-OE1 3.7Å; R440-E635 PolarHBondContact NH2-OE1 3.19Å; R440-E635 VanDerWaalsContact NH2-OE1 3.13Å; R440-E635 IonicContact NH2-OE2 3.42Å; R440-E635 PolarHBondContact NH2-OE2 3.39Å; F631-E635 WeakPolarHBondContact O-CB 3.29Å; F631-E635 PolarHBondContact O-N 3.02Å; A632-E635 PolarHBondContact O-N 2.88Å; V633-E635 VanDerWaalsContact C-N 3.34Å; V633-E635 PolarHBondContact O-N 2.91Å; E635-F637 PolarHBondContact O-N 2.77Å; E635-L638 PolarHBondContact O-N 2.73Å; E635-H639 VanDerWaalsContact O-CB 3.31Å; E635-H639 WeakPolarHBondContact O-CB 3.14Å; E635-H639 PolarHBondContact O-N 3.42Å; E635-M646 HydrophobicContact CG-CB 3.64Å; E635-M646 VanDerWaalsContact OE1-CA 3.24Å; E635-M646 WeakPolarHBondContact OE1-CA 3.45Å; E635-E647 PolarHBondContact OE1-N 3.26Å |
| 636 | K | 96.8 | Very high | 95.2 | Very high | 67 Ų | 67 | 32.3 Ų | 32.3 | 29% | 0.291 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -61.2 | -44.2 | 175.3 | -179.6 | 61.3 | 171.2 | 75.1 | 0 | 112 | A632 V633 H639 D640 M646 | A632-K636 WeakPolarHBondContact O-CB 3.26Å; A632-K636 PolarHBondContact O-N 2.86Å; V633-K636 PolarHBondContact O-N 2.91Å; K636-H639 WeakPolarHBondContact O-CB 3.24Å; K636-H639 PolarHBondContact O-N 2.75Å; K636-D640 IonicContact NZ-OD1 3.79Å; K636-D640 PolarHBondContact NZ-OD1 3.09Å; K636-D640 IonicContact NZ-OD2 3.15Å; K636-D640 PolarHBondContact NZ-OD2 3.19Å; K636-D640 VanDerWaalsContact O-CG 3.27Å; K636-D640 PolarHBondContact O-N 3.16Å; K636-M646 HydrophobicContact CD-CE 4.05Å; K636-M646 HydrophobicContact CD-SD 3.49Å; K636-M646 WeakPolarHBondContact CD-SD 3.41Å |
| 637 | F | 97.8 | Very high | 95.1 | Very high | 17 Ų | 17 | 34 Ų | 34 | 8% | 0.075 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.7 | -48 | 177.8 | 171.6 | -100 | 0 | 0 | 0 | 111.9 | C518 G519 I520 P578 L580 V633 A634 E635 D640 C641 | C518-F637 HydrophobicContact CB-CE1 3.82Å; C518-F637 HydrophobicContact CB-CZ 3.68Å; G519-F637 VanDerWaalsContact O-CE1 3.31Å; G519-F637 WeakPolarHBondContact O-CE1 3.21Å; G519-F637 VanDerWaalsContact O-CZ 3.29Å; G519-F637 WeakPolarHBondContact O-CZ 3.25Å; I520-F637 HydrophobicContact CD1-CD1 4.33Å; I520-F637 HydrophobicContact CG1-CD1 3.95Å; I520-F637 HydrophobicContact CG1-CE1 3.81Å; P578-F637 HydrophobicContact CB-CE2 3.7Å; P578-F637 HydrophobicContact CB-CZ 4Å; P578-F637 WeakPolarHBondContact O-CZ 3.41Å; L580-F637 HydrophobicContact CB-CD1 4Å; L580-F637 HydrophobicContact CB-CD2 4.15Å; L580-F637 HydrophobicContact CB-CE1 4.01Å; L580-F637 HydrophobicContact CB-CE2 4.15Å; L580-F637 HydrophobicContact CB-CG 4.05Å; L580-F637 HydrophobicContact CB-CZ 4.07Å; L580-F637 HydrophobicContact CD2-CB 4.31Å; L580-F637 HydrophobicContact CD2-CD1 4.39Å; L580-F637 HydrophobicContact CD2-CG 4.38Å; V633-F637 VanDerWaalsContact O-CB 3.24Å; V633-F637 WeakPolarHBondContact O-CB 3.48Å; V633-F637 PolarHBondContact O-N 2.85Å; A634-F637 PolarHBondContact O-N 3.23Å; E635-F637 PolarHBondContact O-N 2.77Å; F637-D640 PolarHBondContact O-N 2.95Å; F637-C641 PolarHBondContact O-N 3.23Å; F637-C641 VanDerWaalsContact O-N 3.07Å; F637-C641 PolarHBondContact O-SG 2.85Å |
| 638 | L | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.1 | -31.5 | 177.2 | -69.2 | 168.2 | 0 | 0 | 0 | 112.5 | I415 F437 Y442 A494 I520 A634 E635 L642 | I415-L638 HydrophobicContact CD1-CD1 3.61Å; I415-L638 HydrophobicContact CD1-CD2 4.45Å; F437-L638 HydrophobicContact CD1-CD1 3.78Å; F437-L638 HydrophobicContact CE1-CD1 3.35Å; F437-L638 HydrophobicContact CZ-CD1 3.96Å; Y442-L638 HydrophobicContact CE1-CB 4.08Å; Y442-L638 HydrophobicContact CE2-CB 4.39Å; Y442-L638 VanDerWaalsContact OH-CB 3.31Å; Y442-L638 WeakPolarHBondContact OH-CB 3.46Å; Y442-L638 PolarHBondContact OH-O 2.9Å; A494-L638 HydrophobicContact CB-CD2 3.88Å; I520-L638 HydrophobicContact CD1-CD1 3.81Å; I520-L638 HydrophobicContact CD1-CD2 4.03Å; I520-L638 HydrophobicContact CD1-CG 3.89Å; A634-L638 WeakPolarHBondContact O-CB 3.34Å; A634-L638 VanDerWaalsContact O-CG 3.31Å; A634-L638 WeakPolarHBondContact O-CG 3.34Å; A634-L638 PolarHBondContact O-N 2.92Å; E635-L638 PolarHBondContact O-N 2.73Å; L638-L642 HydrophobicContact CD2-CD1 3.95Å; L638-L642 WeakPolarHBondContact O-CB 3.34Å; L638-L642 PolarHBondContact O-N 3.21Å |
| 639 | H | 95.9 | Very high | 94.6 | Very high | 49 Ų | 49 | 38.1 Ų | 38.1 | 23% | 0.227 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61 | -48.5 | 172.3 | 170.7 | 76.1 | 0 | 0 | 0 | 110.3 | Y442 E635 K636 C641 N643 G644 M646 | Y442-H639 PolarHBondContact OH-N 2.83Å; E635-H639 VanDerWaalsContact O-CB 3.31Å; E635-H639 WeakPolarHBondContact O-CB 3.14Å; E635-H639 PolarHBondContact O-N 3.42Å; K636-H639 WeakPolarHBondContact O-CB 3.24Å; K636-H639 PolarHBondContact O-N 2.75Å; H639-C641 VanDerWaalsContact C-N 3.32Å; H639-C641 PolarHBondContact O-N 2.91Å; H639-N643 WeakPolarHBondContact O-CA 3.21Å; H639-N643 PolarHBondContact O-N 3.11Å; H639-G644 PolarHBondContact ND1-O 2.96Å; H639-M646 HydrophobicContact CB-CB 4.24Å; H639-M646 HydrophobicContact CB-CG 4.31Å; H639-M646 HydrophobicContact CB-SD 3.9Å; H639-M646 VanDerWaalsContact CD2-SD 3.52Å |
| 640 | D | 96.2 | Very high | 93.8 | Very high | 101 Ų | 101 | 44.2 Ų | 44.2 | 54% | 0.54 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64 | -37.3 | 179.7 | -67.3 | -20 | 0 | 0 | 0 | 112.4 | K636 F637 | K636-D640 IonicContact NZ-OD1 3.79Å; K636-D640 PolarHBondContact NZ-OD1 3.09Å; K636-D640 IonicContact NZ-OD2 3.15Å; K636-D640 PolarHBondContact NZ-OD2 3.19Å; K636-D640 VanDerWaalsContact O-CG 3.27Å; K636-D640 PolarHBondContact O-N 3.16Å; F637-D640 PolarHBondContact O-N 2.95Å |
| 641 | C | 97.1 | Very high | 93.1 | Very high | 36 Ų | 36 | 50.6 Ų | 50.6 | 24% | 0.243 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -81.2 | -35.8 | -177.9 | -62.8 | 0 | 0 | 0 | 0 | 113.3 | C518 F637 H639 | C518-C641 HydrophobicContact CB-CB 3.79Å; C518-C641 VanDerWaalsContact CB-SG 3.55Å; C518-C641 VanDerWaalsContact SG-CB 3.52Å; F637-C641 PolarHBondContact O-N 3.23Å; F637-C641 VanDerWaalsContact O-N 3.07Å; F637-C641 PolarHBondContact O-SG 2.85Å; H639-C641 VanDerWaalsContact C-N 3.32Å; H639-C641 PolarHBondContact O-N 2.91Å |
| 642 | L | 95.9 | Very high | 92.7 | Very high | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.037 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -131.1 | -0.8 | -164.2 | -46.1 | 177.7 | 0 | 0 | 0 | 114.4 | P413 Y442 A494 A517 L638 G644 | P413-L642 HydrophobicContact CB-CB 4Å; Y442-L642 HydrophobicContact CD1-CD1 4.33Å; Y442-L642 HydrophobicContact CE1-CB 3.97Å; Y442-L642 HydrophobicContact CE1-CD1 3.8Å; Y442-L642 HydrophobicContact CE1-CG 4.45Å; A494-L642 HydrophobicContact CB-CD1 3.92Å; A517-L642 HydrophobicContact CB-CD2 3.53Å; L638-L642 HydrophobicContact CD2-CD1 3.95Å; L638-L642 WeakPolarHBondContact O-CB 3.34Å; L638-L642 PolarHBondContact O-N 3.21Å; L642-G644 PolarHBondContact O-N 2.68Å |
| 643 | N | 88.2 | Confident | 92.2 | Very high | 137 Ų | 137 | 54 Ų | 54 | 73% | 0.733 | 28% | 0.282 | S | S | * | . | trans | 59 | 39.3 | 177.8 | -164.8 | 34.6 | 0 | 0 | 0 | 114.1 | H639 | H639-N643 WeakPolarHBondContact O-CA 3.21Å; H639-N643 PolarHBondContact O-N 3.11Å | ||
| 644 | G | 84.8 | Confident | 91.7 | Very high | 6 Ų | 6 | 59.7 Ų | 59.7 | 6% | 0.062 | 31% | 0.309 | C | S | . | . | trans | -75.1 | 167.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y442 H639 L642 | Y442-G644 VanDerWaalsContact OH-CA 3.3Å; Y442-G644 WeakPolarHBondContact OH-CA 3.44Å; Y442-G644 PolarHBondContact OH-N 2.96Å; H639-G644 PolarHBondContact ND1-O 2.96Å; L642-G644 PolarHBondContact O-N 2.68Å | ||
| 645 | T | 90.3 | Very high | 91.1 | Very high | 80 Ų | 80 | 66.2 Ų | 66.2 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | trans | -75 | 146.4 | 174.7 | 54.4 | 0 | 0 | 0 | 0 | 110.2 | R440 | R440-T645 VanDerWaalsContact C-OG1 3.27Å; R440-T645 WeakPolarHBondContact CA-OG1 3.3Å; R440-T645 WeakPolarHBondContact CB-O 3.47Å; R440-T645 WeakPolarHBondContact CG-O 3.41Å; R440-T645 PolarHBondContact O-N 2.97Å; R440-T645 PolarHBondContact O-OG1 3.44Å | ||
| 646 | M | 92.1 | Very high | 90.8 | Very high | 66 Ų | 66 | 66.8 Ų | 66.8 | 33% | 0.325 | 35% | 0.347 | S | S | . | . | trans | -131.9 | 150.7 | 173.4 | 67 | 177.7 | -179.9 | 0 | 0 | 111.4 | L20 E635 K636 H639 | L20-M646 VanDerWaalsContact CD2-C 3.48Å; E635-M646 HydrophobicContact CG-CB 3.64Å; E635-M646 VanDerWaalsContact OE1-CA 3.24Å; E635-M646 WeakPolarHBondContact OE1-CA 3.45Å; K636-M646 HydrophobicContact CD-CE 4.05Å; K636-M646 HydrophobicContact CD-SD 3.49Å; K636-M646 WeakPolarHBondContact CD-SD 3.41Å; H639-M646 HydrophobicContact CB-CB 4.24Å; H639-M646 HydrophobicContact CB-CG 4.31Å; H639-M646 HydrophobicContact CB-SD 3.9Å; H639-M646 VanDerWaalsContact CD2-SD 3.52Å | ||
| 647 | E | 93.2 | Very high | 90.6 | Very high | 48 Ų | 48 | 69.8 Ų | 69.8 | 22% | 0.224 | 36% | 0.36 | C | S | . | . | trans | -73.9 | 144.1 | 159.8 | -154.5 | 173.3 | 158 | 0 | 0 | 107.7 | L20 P22 R23 R440 E635 M649 | L20-E647 VanDerWaalsContact CD2-CA 3.47Å; L20-E647 HydrophobicContact CD2-CB 3.53Å; L20-E647 HydrophobicContact CD2-CG 4.21Å; P22-E647 WeakPolarHBondContact CA-OE2 3.4Å; R23-E647 IonicContact CZ-OE2 2.63Å; R23-E647 VanDerWaalsContact CZ-OE2 3.24Å; R23-E647 PolarHBondContact N-OE2 2.92Å; R23-E647 VanDerWaalsContact NH1-CD 3.31Å; R23-E647 IonicContact NH1-OE2 3.64Å; R23-E647 PolarHBondContact NH1-OE2 2.63Å; R23-E647 IonicContact NH2-OE1 2.69Å; R23-E647 IonicContact NH2-OE2 3.57Å; R23-E647 PolarHBondContact NH2-OE2 2.65Å; R440-E647 IonicContact NH2-OE2 2.88Å; E635-E647 PolarHBondContact OE1-N 3.26Å; E647-M649 PolarHBondContact O-N 3.32Å | ||
| 648 | P | 91.1 | Very high | 90.5 | Very high | 83 Ų | 83 | 70.4 Ų | 70.4 | 54% | 0.539 | 37% | 0.365 | S | S | . | . | trans | -52.8 | 134.7 | 169.4 | -25.4 | 35.3 | 0 | 0 | 0 | 111 | R23 | R23-P648 PolarHBondContact NH2-O 3.23Š| ||
| 649 | M | 87.7 | Confident | 90.4 | Very high | 80 Ų | 80 | 73.8 Ų | 73.8 | 39% | 0.394 | 38% | 0.383 | S | S | . | . | trans | -94.1 | 103 | 170.9 | -173.4 | -179.4 | 78.3 | 0 | 0 | 107.1 | A632 V633 E647 E652 L653 | A632-M649 HydrophobicContact CB-CG 4.13Å; A632-M649 HydrophobicContact CB-SD 4.2Å; V633-M649 HydrophobicContact CG2-SD 4.12Å; E647-M649 PolarHBondContact O-N 3.32Å; M649-E652 WeakPolarHBondContact CA-OE2 3.42Å; M649-L653 HydrophobicContact CE-CD1 4.29Å; M649-L653 HydrophobicContact SD-CD1 4.41Å | ||
| 650 | D | 79.7 | Confident | 90.2 | Very high | 128 Ų | 128 | 76 Ų | 76 | 68% | 0.684 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -107 | -51.8 | -174.2 | -69.4 | -26.6 | 0 | 0 | 0 | 111.3 | E652 | D650-E652 PolarHBondContact N-OE2 2.88Š|
| 651 | K | 84 | Confident | 90.1 | Very high | 135 Ų | 135 | 75.1 Ų | 75.1 | 59% | 0.587 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -137.8 | 1.6 | -166 | -61.9 | -167.2 | 168 | -164.8 | 0 | 115 | L653 E654 | K651-L653 PolarHBondContact O-N 3.11Å; K651-E654 HydrophobicContact CB-CG 4.22Å; K651-E654 VanDerWaalsContact CD-OE2 3.29Å; K651-E654 WeakPolarHBondContact CD-OE2 3.19Å; K651-E654 HydrophobicContact CG-CG 4.48Å; K651-E654 WeakPolarHBondContact CG-OE2 3.34Å; K651-E654 WeakPolarHBondContact O-CB 3.5Å; K651-E654 PolarHBondContact O-N 3.07Å |
| 652 | E | 88.1 | Confident | 89.9 | Confident | 28 Ų | 28 | 76 Ų | 76 | 13% | 0.131 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -20.6 | -171.8 | -69 | 83.6 | 165 | 0 | 0 | 112.9 | R23 V628 A629 A632 M649 D650 V656 | R23-E652 IonicContact CZ-OE1 2.67Å; R23-E652 IonicContact NE-OE1 2.83Å; R23-E652 IonicContact NH2-OE1 3.82Å; R23-E652 PolarHBondContact NH2-OE1 3.29Å; V628-E652 HydrophobicContact CG1-CG 4.04Å; A629-E652 WeakPolarHBondContact CB-O 3.28Å; A632-E652 HydrophobicContact CB-CB 3.96Å; A632-E652 HydrophobicContact CB-CG 4.01Å; M649-E652 WeakPolarHBondContact CA-OE2 3.42Å; D650-E652 PolarHBondContact N-OE2 2.88Å; E652-V656 WeakPolarHBondContact O-CG2 3.29Å |
| 653 | L | 86.5 | Confident | 89.7 | Confident | 53 Ų | 53 | 77.7 Ų | 77.7 | 28% | 0.277 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -11.6 | 174.8 | -58.5 | 178.9 | 0 | 0 | 0 | 113.7 | A629 V633 M649 K651 V658 | A629-L653 HydrophobicContact CB-CD2 3.99Å; V633-L653 HydrophobicContact CG2-CD1 4.25Å; V633-L653 HydrophobicContact CG2-CD2 4.14Å; M649-L653 HydrophobicContact CE-CD1 4.29Å; M649-L653 HydrophobicContact SD-CD1 4.41Å; K651-L653 PolarHBondContact O-N 3.11Å; L653-V658 HydrophobicContact CD2-CG1 4.29Å |
| 654 | E | 87.7 | Confident | 89.6 | Confident | 130 Ų | 130 | 74.8 Ų | 74.8 | 61% | 0.607 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -39.5 | -175.2 | -70.3 | -176.3 | 168.9 | 0 | 0 | 112.4 | K651 | K651-E654 HydrophobicContact CB-CG 4.22Å; K651-E654 VanDerWaalsContact CD-OE2 3.29Å; K651-E654 WeakPolarHBondContact CD-OE2 3.19Å; K651-E654 HydrophobicContact CG-CG 4.48Å; K651-E654 WeakPolarHBondContact CG-OE2 3.34Å; K651-E654 WeakPolarHBondContact O-CB 3.5Å; K651-E654 PolarHBondContact O-N 3.07Å |
| 655 | D | 85.3 | Confident | 89.2 | Confident | 137 Ų | 137 | 80.1 Ų | 80.1 | 73% | 0.733 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 13.7 | -175.9 | -73.9 | -35.8 | 0 | 0 | 0 | 113.2 | I625 | I625-D655 HydrophobicContact CD1-CB 3.7Š|
| 656 | V | 91.1 | Very high | 88 | Confident | 15 Ų | 15 | 84.7 Ų | 84.7 | 9% | 0.091 | 42% | 0.424 | C | S | . | . | trans | -119.6 | 127.9 | -171 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | F614 I625 N626 A629 E652 V658 | F614-V656 HydrophobicContact CD1-CG1 4.27Å; F614-V656 HydrophobicContact CE1-CG1 3.56Å; F614-V656 HydrophobicContact CZ-CG1 4.49Å; I625-V656 HydrophobicContact CB-CG2 4.38Å; I625-V656 HydrophobicContact CD1-CG2 3.99Å; I625-V656 HydrophobicContact CG1-CG2 3.67Å; I625-V656 HydrophobicContact CG2-CG2 4.11Å; N626-V656 WeakPolarHBondContact OD1-CG1 3.41Å; A629-V656 HydrophobicContact CB-CB 4.31Å; A629-V656 HydrophobicContact CB-CG1 4.04Å; A629-V656 HydrophobicContact CB-CG2 3.9Å; E652-V656 WeakPolarHBondContact O-CG2 3.29Å; V656-V658 HydrophobicContact CG1-CB 4.13Å; V656-V658 HydrophobicContact CG1-CG1 4.1Å; V656-V658 PolarHBondContact O-N 2.98Å | ||
| 657 | F | 92.1 | Very high | 86.2 | Confident | 129 Ų | 129 | 88.7 Ų | 88.7 | 57% | 0.566 | 45% | 0.447 | S | S | * | . | trans | -84.5 | 96.7 | 173.9 | -154.7 | -99 | 0 | 0 | 0 | 109.2 | P615 Y616 | P615-F657 HydrophobicContact CB-CD1 3.94Å; P615-F657 HydrophobicContact CB-CE1 4.08Å; P615-F657 VanDerWaalsContact CD-O 3.22Å; P615-F657 WeakPolarHBondContact CD-O 3.48Å; P615-F657 HydrophobicContact CG-CD1 3.58Å; P615-F657 HydrophobicContact CG-CE1 3.75Å; Y616-F657 HydrophobicContact CD2-CB 4.37Å; Y616-F657 HydrophobicContact CD2-CD1 4.19Å; Y616-F657 HydrophobicContact CE2-CB 4.18Å; Y616-F657 AromaticContact CE2-CD1 3.58Å; Y616-F657 HydrophobicContact CE2-CD1 3.58Å; Y616-F657 HydrophobicContact CE2-CE1 4.21Å; Y616-F657 AromaticContact CE2-CG 3.99Å; Y616-F657 HydrophobicContact CE2-CG 3.99Å | ||
| 658 | V | 95.2 | Very high | 83.9 | Confident | 30 Ų | 30 | 93.3 Ų | 93.3 | 18% | 0.182 | 47% | 0.473 | C | S | . | . | trans | -136.1 | 138.6 | 179.5 | 60.6 | 0 | 0 | 0 | 0 | 109.5 | L612 F614 L653 V656 | L612-V658 HydrophobicContact CB-CG2 4.08Å; L612-V658 HydrophobicContact CG-CG2 4.1Å; F614-V658 HydrophobicContact CD1-CB 4.17Å; F614-V658 HydrophobicContact CD1-CG2 4.29Å; F614-V658 HydrophobicContact CD2-CG2 4.17Å; F614-V658 HydrophobicContact CE1-CB 3.97Å; F614-V658 HydrophobicContact CE1-CG2 4.09Å; F614-V658 HydrophobicContact CE2-CG2 3.94Å; F614-V658 HydrophobicContact CG-CG2 4.36Å; F614-V658 HydrophobicContact CZ-CB 4.25Å; F614-V658 HydrophobicContact CZ-CG2 3.91Å; L653-V658 HydrophobicContact CD2-CG1 4.29Å; V656-V658 HydrophobicContact CG1-CB 4.13Å; V656-V658 HydrophobicContact CG1-CG1 4.1Å; V656-V658 PolarHBondContact O-N 2.98Å | ||
| 659 | I | 95.2 | Very high | 81.3 | Confident | 72 Ų | 72 | 93.5 Ų | 93.5 | 37% | 0.369 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 119 | 167.1 | -61.9 | 164.1 | 0 | 0 | 0 | 106 | L612 L613 P615 E661 | L612-I659 WeakPolarHBondContact CA-O 3.46Å; L613-I659 HydrophobicContact CB-CB 4.17Å; L613-I659 HydrophobicContact CD2-CD1 3.97Å; L613-I659 HydrophobicContact CG-CD1 4.42Å; L613-I659 PolarHBondContact N-O 2.71Å; L613-I659 PolarHBondContact O-N 3.13Å; P615-I659 HydrophobicContact CG-CD1 4.11Å; P615-I659 HydrophobicContact CG-CG1 4.29Å; I659-E661 HydrophobicContact CG2-CG 4.33Å |
| 660 | F | 93.3 | Very high | 78.9 | Confident | 94 Ų | 94 | 97.6 Ų | 97.6 | 41% | 0.412 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 117.4 | -174.3 | -174.1 | -77.6 | 0 | 0 | 0 | 109.3 | T610 Y611 L612 V633 T662 | T610-F660 HydrophobicContact CG2-CE1 4.24Å; T610-F660 HydrophobicContact CG2-CE2 3.81Å; T610-F660 HydrophobicContact CG2-CZ 3.56Å; Y611-F660 WeakPolarHBondContact O-CA 3.27Å; L612-F660 HydrophobicContact CD1-CD2 3.62Å; L612-F660 HydrophobicContact CD1-CE2 3.66Å; L612-F660 HydrophobicContact CG-CD2 3.92Å; L612-F660 HydrophobicContact CG-CE2 4.34Å; V633-F660 HydrophobicContact CG1-CE2 4.16Å; V633-F660 HydrophobicContact CG2-CE2 4.18Å; F660-T662 HydrophobicContact CD1-CG2 4.42Å; F660-T662 HydrophobicContact CE1-CG2 3.62Å; F660-T662 HydrophobicContact CZ-CG2 4.27Å |
| 661 | E | 93.5 | Very high | 76.8 | Confident | 83 Ų | 83 | 99.6 Ų | 99.6 | 39% | 0.388 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 148.1 | -179.7 | -62.7 | -176 | 159 | 0 | 0 | 110.9 | T610 Y611 I659 F663 | T610-E661 WeakPolarHBondContact CA-O 3.47Å; Y611-E661 PolarHBondContact N-O 3.15Å; Y611-E661 PolarHBondContact O-N 2.67Å; I659-E661 HydrophobicContact CG2-CG 4.33Å; E661-F663 HydrophobicContact CB-CE2 3.73Å; E661-F663 HydrophobicContact CB-CZ 4.09Å; E661-F663 WeakPolarHBondContact OE2-CZ 3.36Å |
| 662 | T | 93.1 | Very high | 74.4 | Confident | 55 Ų | 55 | 96.2 Ų | 96.2 | 34% | 0.337 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 138.5 | 175.6 | 52.4 | 0 | 0 | 0 | 0 | 111 | V609 T610 F660 | V609-T662 CarbonylContact O-C 3.13Å; V609-T662 VanDerWaalsContact O-CA 3.23Å; V609-T662 WeakPolarHBondContact O-CA 3.05Å; T610-T662 HydrophobicContact CG2-CG2 4.28Å; F660-T662 HydrophobicContact CD1-CG2 4.42Å; F660-T662 HydrophobicContact CE1-CG2 3.62Å; F660-T662 HydrophobicContact CZ-CG2 4.27Å |
| 663 | F | 91.7 | Very high | 71.7 | Confident | 42 Ų | 42 | 105 Ų | 105 | 18% | 0.184 | 56% | 0.563 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.8 | 148.9 | -177.4 | -58.6 | -90.9 | 0 | 0 | 0 | 111 | I599 P608 V609 E661 L665 | I599-F663 HydrophobicContact CD1-CD2 4.5Å; I599-F663 HydrophobicContact CD1-CE2 4.43Å; I599-F663 HydrophobicContact CG2-CD1 4.16Å; I599-F663 HydrophobicContact CG2-CD2 4.05Å; I599-F663 HydrophobicContact CG2-CE1 3.66Å; I599-F663 HydrophobicContact CG2-CE2 3.55Å; I599-F663 HydrophobicContact CG2-CG 4.34Å; I599-F663 HydrophobicContact CG2-CZ 3.34Å; P608-F663 CarbonylContact C-O 3.48Å; P608-F663 VanDerWaalsContact CA-O 3.27Å; P608-F663 WeakPolarHBondContact CA-O 3.4Å; V609-F663 HydrophobicContact CB-CB 4.09Å; V609-F663 HydrophobicContact CB-CD2 4.16Å; V609-F663 PolarHBondContact N-O 2.69Å; V609-F663 PolarHBondContact O-N 3.32Å; E661-F663 HydrophobicContact CB-CE2 3.73Å; E661-F663 HydrophobicContact CB-CZ 4.09Å; E661-F663 WeakPolarHBondContact OE2-CZ 3.36Å; F663-L665 HydrophobicContact CD1-CD2 4.43Å; F663-L665 HydrophobicContact CD1-CG 4.08Å; F663-L665 HydrophobicContact CE1-CD1 4.47Å; F663-L665 HydrophobicContact CE1-CD2 4.14Å; F663-L665 HydrophobicContact CE1-CG 4.02Å |
| 664 | P | 85.1 | Confident | 71 | Confident | 76 Ų | 76 | 107.6 Ų | 107.6 | 49% | 0.494 | 58% | 0.577 | S | S | . | * | S | Bend | cis | -57.8 | 142.1 | -10.6 | 28 | -34.9 | 0 | 0 | 0 | 109.6 | K666 | P664-K666 PolarHBondContact O-N 2.91Å; P664-K666 VanDerWaalsContact O-N 3.1Å |
| 665 | L | 76.4 | Confident | 70.1 | Confident | 118 Ų | 118 | 106.4 Ų | 106.4 | 62% | 0.618 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 127.1 | 178.7 | -72 | 169.4 | 0 | 0 | 0 | 106.6 | F663 N667 | F663-L665 HydrophobicContact CD1-CD2 4.43Å; F663-L665 HydrophobicContact CD1-CG 4.08Å; F663-L665 HydrophobicContact CE1-CD1 4.47Å; F663-L665 HydrophobicContact CE1-CD2 4.14Å; F663-L665 HydrophobicContact CE1-CG 4.02Å; L665-N667 PolarHBondContact O-N 3.4Å |
| 666 | K | 66.1 | Low | 69.3 | Low | 176 Ų | 176 | 104.7 Ų | 104.7 | 77% | 0.765 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 117.6 | 167.8 | -73.1 | -177.9 | -179.3 | 176.6 | 0 | 104.8 | P664 D668 | P664-K666 PolarHBondContact O-N 2.91Å; P664-K666 VanDerWaalsContact O-N 3.1Å; K666-D668 PolarHBondContact O-N 3.35Å |
| 667 | N | 53.4 | Low | 68 | Low | 151 Ų | 151 | 110 Ų | 110 | 81% | 0.807 | 59% | 0.594 | S | S | * | * | trans | -58 | 100.8 | 160.7 | -84.2 | -16.9 | 0 | 0 | 0 | 103.5 | L665 S669 | L665-N667 PolarHBondContact O-N 3.4Å; N667-S669 PolarHBondContact O-N 3.05Å | ||
| 668 | D | 44.9 | Very low | 66.5 | Low | 145 Ų | 145 | 108.8 Ų | 108.8 | 78% | 0.775 | 60% | 0.596 | S | S | * | * | trans | -60.1 | 83.6 | 149.1 | -76.7 | -16.3 | 0 | 0 | 0 | 103.2 | K666 I670 | K666-D668 PolarHBondContact O-N 3.35Å; D668-I670 VanDerWaalsContact C-N 3.28Å; D668-I670 PolarHBondContact O-N 2.46Å | ||
| 669 | S | 37.1 | Very low | 64.6 | Low | 86 Ų | 86 | 114.1 Ų | 114.1 | 60% | 0.601 | 62% | 0.624 | S | S | * | * | trans | -48.8 | 113.6 | 155.4 | 45.2 | 0 | 0 | 0 | 0 | 103 | N667 E671 | N667-S669 PolarHBondContact O-N 3.05Å; S669-E671 PolarHBondContact O-N 2.8Å | ||
| 670 | I | 37.6 | Very low | 62.4 | Low | 166 Ų | 166 | 117.1 Ų | 117.1 | 85% | 0.851 | 64% | 0.642 | S | S | * | * | trans | -53.7 | 82.7 | 163.1 | -59.4 | 169.9 | 0 | 0 | 0 | 104.6 | D668 G672 | D668-I670 VanDerWaalsContact C-N 3.28Å; D668-I670 PolarHBondContact O-N 2.46Å; I670-G672 PolarHBondContact O-N 3.07Å | ||
| 671 | E | 35.5 | Very low | 60 | Low | 171 Ų | 171 | 118.8 Ų | 118.8 | 80% | 0.799 | 66% | 0.66 | S | S | * | * | trans | -70.9 | 86.6 | 160.9 | -81.6 | -165.2 | 160.6 | 0 | 0 | 103.6 | S669 T673 | S669-E671 PolarHBondContact O-N 2.8Å; E671-T673 PolarHBondContact O-N 3.26Å; E671-T673 VanDerWaalsContact O-N 3.1Å | ||
| 672 | G | 33 | Very low | 57.2 | Low | 63 Ų | 63 | 121.8 Ų | 121.8 | 65% | 0.649 | 68% | 0.682 | S | S | * | * | trans | -61.1 | 109 | 162.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | I670 | I670-G672 PolarHBondContact O-N 3.07Š| ||
| 673 | T | 32.6 | Very low | 53.9 | Low | 213 Ų | 213 | 127.9 Ų | 127.9 | 100% | 1.307 | 71% | 0.714 | S | S | * | * | trans | -159.6 | 0 | 136.5 | 28.7 | 0 | 0 | 0 | 0 | 109.3 | E671 | E671-T673 PolarHBondContact O-N 3.26Å; E671-T673 VanDerWaalsContact O-N 3.1Å |
Retrieved 673 of 673 residues in 339.6 ms
(Link to these results)