| 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 | 44.9 | Very low | 48.6 | Very low | 246 Ų | 246 | 153.2 Ų | 153.2 | 100% | 1.212 | 78% | 0.784 | S | S | * | * | 0 | 114.1 | 0 | -146.7 | 177.2 | -61.7 | 0 | 0 | 106.9 | |||||
| 2 | K | 46.3 | Very low | 49 | Very low | 192 Ų | 192 | 151.3 Ų | 151.3 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | trans | -69.3 | 128.4 | 179 | -69.4 | 174.8 | 175 | 178.2 | 0 | 108.5 | ||||
| 3 | S | 49.8 | Very low | 49.6 | Very low | 112 Ų | 112 | 145.5 Ų | 145.5 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | trans | -123.4 | 98.7 | 160.9 | -154.9 | 0 | 0 | 0 | 0 | 107.7 | V5 | S3-V5 PolarHBondContact O-N 3.02Š| ||
| 4 | F | 47.5 | Very low | 50.6 | Low | 147 Ų | 147 | 149.5 Ų | 149.5 | 65% | 0.645 | 77% | 0.772 | S | S | * | * | trans | -73.6 | 100.4 | 170.4 | -97.7 | -103.7 | 0 | 0 | 0 | 107.3 | Y6 | F4-Y6 HydrophobicContact CB-CD2 4.21Å; F4-Y6 HydrophobicContact CB-CE2 4.14Å; F4-Y6 HydrophobicContact CD1-CD2 4.25Å; F4-Y6 AromaticContact CD1-CE2 3.64Å; F4-Y6 HydrophobicContact CD1-CE2 3.64Å; F4-Y6 HydrophobicContact CE1-CE2 4.47Å; F4-Y6 HydrophobicContact CG-CE2 4.27Å; F4-Y6 PolarHBondContact O-N 3.1Å | ||
| 5 | V | 54.8 | Low | 51.7 | Low | 114 Ų | 114 | 148.1 Ų | 148.1 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | trans | -87.1 | 95.7 | 163.3 | -177.2 | 0 | 0 | 0 | 0 | 106.5 | S3 I7 | S3-V5 PolarHBondContact O-N 3.02Å; V5-I7 HydrophobicContact CG1-CG1 3.92Å; V5-I7 PolarHBondContact O-N 3.11Å | ||
| 6 | Y | 45.9 | Very low | 53.2 | Low | 184 Ų | 184 | 144.2 Ų | 144.2 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | -65.4 | 88.8 | 163.7 | -81.3 | -89.9 | 0 | 0 | 0 | 107.7 | F4 L8 | F4-Y6 HydrophobicContact CB-CD2 4.21Å; F4-Y6 HydrophobicContact CB-CE2 4.14Å; F4-Y6 HydrophobicContact CD1-CD2 4.25Å; F4-Y6 AromaticContact CD1-CE2 3.64Å; F4-Y6 HydrophobicContact CD1-CE2 3.64Å; F4-Y6 HydrophobicContact CE1-CE2 4.47Å; F4-Y6 HydrophobicContact CG-CE2 4.27Å; F4-Y6 PolarHBondContact O-N 3.1Å; Y6-L8 VanDerWaalsContact C-N 3.27Å; Y6-L8 PolarHBondContact O-N 2.73Å | ||
| 7 | I | 50.7 | Low | 54.7 | Low | 133 Ų | 133 | 140.4 Ų | 140.4 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | trans | -68.9 | 99.7 | 160.2 | -59.6 | 179.8 | 0 | 0 | 0 | 104.6 | V5 L9 | V5-I7 HydrophobicContact CG1-CG1 3.92Å; V5-I7 PolarHBondContact O-N 3.11Å; I7-L9 HydrophobicContact CG2-CG 4.28Å; I7-L9 PolarHBondContact O-N 2.83Å | ||
| 8 | L | 47.1 | Very low | 56.7 | Low | 156 Ų | 156 | 141.7 Ų | 141.7 | 82% | 0.817 | 77% | 0.767 | S | S | * | * | trans | -58.9 | 85 | 161.6 | -125.4 | 91.7 | 0 | 0 | 0 | 106 | Y6 S10 | Y6-L8 VanDerWaalsContact C-N 3.27Å; Y6-L8 PolarHBondContact O-N 2.73Å; L8-S10 PolarHBondContact O-N 2.87Å | ||
| 9 | L | 48.7 | Very low | 58.6 | Low | 149 Ų | 149 | 137.4 Ų | 137.4 | 78% | 0.78 | 74% | 0.743 | S | S | * | * | trans | -63.8 | 88.9 | 158.3 | -85.9 | 158.2 | 0 | 0 | 0 | 104.1 | I7 L11 | I7-L9 HydrophobicContact CG2-CG 4.28Å; I7-L9 PolarHBondContact O-N 2.83Å; L9-L11 VanDerWaalsContact C-N 3.3Å; L9-L11 PolarHBondContact O-N 3.07Å | ||
| 10 | S | 49.5 | Very low | 60.3 | Low | 81 Ų | 81 | 134.6 Ų | 134.6 | 57% | 0.566 | 73% | 0.731 | S | S | * | * | trans | -49.7 | 107.4 | 161.9 | 52.2 | 0 | 0 | 0 | 0 | 105.3 | L8 I12 | L8-S10 PolarHBondContact O-N 2.87Å; S10-I12 PolarHBondContact O-N 3.26Å | ||
| 11 | L | 49.4 | Very low | 61.8 | Low | 171 Ų | 171 | 137.7 Ų | 137.7 | 90% | 0.895 | 73% | 0.732 | S | S | * | * | trans | -58.6 | 76.2 | 159.6 | -84.2 | 131.3 | 0 | 0 | 0 | 106 | L9 A13 | L9-L11 VanDerWaalsContact C-N 3.3Å; L9-L11 PolarHBondContact O-N 3.07Å; L11-A13 PolarHBondContact O-N 3.02Å | ||
| 12 | I | 53.7 | Low | 64.1 | Low | 130 Ų | 130 | 131.5 Ų | 131.5 | 67% | 0.667 | 70% | 0.695 | S | S | * | * | trans | -65.4 | 92 | 152.9 | -58.2 | 175.8 | 0 | 0 | 0 | 101.4 | S10 F14 | S10-I12 PolarHBondContact O-N 3.26Å; I12-F14 VanDerWaalsContact C-N 3.33Å; I12-F14 PolarHBondContact O-N 3.16Å | ||
| 13 | A | 57.2 | Low | 66.3 | Low | 76 Ų | 76 | 124.5 Ų | 124.5 | 63% | 0.628 | 67% | 0.666 | S | S | * | * | trans | -49.9 | 109.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 104.7 | L11 T15 | L11-A13 PolarHBondContact O-N 3.02Å; A13-T15 VanDerWaalsContact C-N 3.26Å; A13-T15 PolarHBondContact O-N 3.3Å | ||
| 14 | F | 62.3 | Low | 68.5 | Low | 202 Ų | 202 | 124.5 Ų | 124.5 | 89% | 0.886 | 65% | 0.654 | S | S | * | * | trans | -57.4 | 102.4 | 171 | -86.5 | -91 | 0 | 0 | 0 | 104.9 | I12 A16 | I12-F14 VanDerWaalsContact C-N 3.33Å; I12-F14 PolarHBondContact O-N 3.16Å; F14-A16 PolarHBondContact O-N 2.85Å | ||
| 15 | T | 67.4 | Low | 70.6 | Confident | 129 Ų | 129 | 120.7 Ų | 120.7 | 79% | 0.791 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 125.4 | 167 | 47.8 | 0 | 0 | 0 | 0 | 105.5 | A13 A17 | A13-T15 VanDerWaalsContact C-N 3.26Å; A13-T15 PolarHBondContact O-N 3.3Å; T15-A17 PolarHBondContact O-N 2.79Å |
| 16 | A | 76.7 | Confident | 72.1 | Confident | 85 Ų | 85 | 123.4 Ų | 123.4 | 70% | 0.702 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 137.6 | 178 | 0 | 0 | 0 | 0 | 0 | 109.4 | F14 I18 | F14-A16 PolarHBondContact O-N 2.85Å; A16-I18 PolarHBondContact O-N 2.79Å |
| 17 | A | 77.3 | Confident | 74.4 | Confident | 80 Ų | 80 | 118.6 Ų | 118.6 | 66% | 0.661 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 136.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | T15 | T15-A17 PolarHBondContact O-N 2.79Š|
| 18 | I | 91 | Very high | 76.6 | Confident | 163 Ų | 163 | 116.3 Ų | 116.3 | 84% | 0.836 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 116.3 | 176.4 | -59.4 | 174.4 | 0 | 0 | 0 | 107.3 | A16 | A16-I18 PolarHBondContact O-N 2.79Š|
| 19 | D | 92.4 | Very high | 78.9 | Confident | 60 Ų | 60 | 112.2 Ų | 112.2 | 32% | 0.321 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -66.7 | 138.4 | 177.8 | -67.2 | -24.6 | 0 | 0 | 0 | 111 | R21 D282 S283 | D19-R21 PolarHBondContact O-N 3.18Å; D19-D282 WeakPolarHBondContact OD1-CA 3.38Å; D19-S283 PolarHBondContact OD1-N 2.94Å; D19-S283 WeakPolarHBondContact OD2-CB 3.3Å; D19-S283 PolarHBondContact OD2-OG 3.42Å |
| 20 | V | 93.8 | Very high | 81.1 | Confident | 82 Ų | 82 | 107.2 Ų | 107.2 | 50% | 0.497 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -69 | 116.4 | 171.6 | 176.3 | 0 | 0 | 0 | 0 | 108.8 | R22 L278 R286 | V20-R22 PolarHBondContact O-N 2.75Å; V20-R22 VanDerWaalsContact O-N 3.09Å; V20-L278 HydrophobicContact CG2-CD2 3.9Å; V20-R286 PolarHBondContact O-NH2 2.8Å |
| 21 | R | 92.6 | Very high | 83.3 | Confident | 199 Ų | 199 | 107 Ų | 107 | 75% | 0.751 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 117.8 | 176.1 | -177.7 | 177.9 | 176.8 | 177.3 | -0.3 | 109.9 | D19 E24 | D19-R21 PolarHBondContact O-N 3.18Å; R21-E24 IonicContact CZ-OE1 3.88Å; R21-E24 IonicContact NH2-OE1 2.73Å; R21-E24 PolarHBondContact NH2-OE1 3.03Å |
| 22 | R | 91.4 | Very high | 85.6 | Confident | 117 Ų | 117 | 100.9 Ų | 100.9 | 44% | 0.442 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 149.3 | 173.8 | 76.6 | -174.7 | -167.1 | 89.6 | -4.2 | 110.8 | V20 D25 | V20-R22 PolarHBondContact O-N 2.75Å; V20-R22 VanDerWaalsContact O-N 3.09Å; R22-D25 IonicContact CZ-OD1 2.94Å; R22-D25 IonicContact NH1-OD1 3.4Å; R22-D25 PolarHBondContact NH1-OD1 3.36Å; R22-D25 IonicContact NH2-OD1 2.75Å; R22-D25 PolarHBondContact NH2-OD1 3.19Å |
| 23 | L | 94 | Very high | 87.7 | Confident | 44 Ų | 44 | 95.2 Ų | 95.2 | 23% | 0.23 | 50% | 0.501 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 138.5 | 170.3 | -168.8 | 72 | 0 | 0 | 0 | 110.2 | H27 W291 E292 | L23-H27 HydrophobicContact CD1-CB 3.95Å; L23-H27 HydrophobicContact CD2-CB 4.39Å; L23-H27 HydrophobicContact CG-CB 4.02Å; L23-W291 WeakPolarHBondContact CD2-O 3.28Å; L23-E292 HydrophobicContact CB-CG 3.75Å |
| 24 | E | 94.3 | Very high | 89.6 | Confident | 112 Ų | 112 | 93.8 Ų | 93.8 | 52% | 0.523 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 135.3 | 172.5 | -68.7 | 178.3 | -167.1 | 0 | 0 | 110.7 | R21 K26 H27 | R21-E24 IonicContact CZ-OE1 3.88Å; R21-E24 IonicContact NH2-OE1 2.73Å; R21-E24 PolarHBondContact NH2-OE1 3.03Å; E24-K26 PolarHBondContact O-N 3.38Å; E24-H27 HydrophobicContact CB-CB 4.48Å; E24-H27 VanDerWaalsContact O-CB 3.29Å; E24-H27 WeakPolarHBondContact O-CB 3.09Å; E24-H27 PolarHBondContact O-N 3.21Å |
| 25 | D | 92 | Very high | 91.3 | Very high | 67 Ų | 67 | 86.9 Ų | 86.9 | 36% | 0.358 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -28.5 | -176.8 | -67 | 36.8 | 0 | 0 | 0 | 113.9 | R22 W291 | R22-D25 IonicContact CZ-OD1 2.94Å; R22-D25 IonicContact NH1-OD1 3.4Å; R22-D25 PolarHBondContact NH1-OD1 3.36Å; R22-D25 IonicContact NH2-OD1 2.75Å; R22-D25 PolarHBondContact NH2-OD1 3.19Å; D25-W291 VanDerWaalsContact CA-CD1 3.48Å; D25-W291 HydrophobicContact CB-CD2 4.38Å; D25-W291 HydrophobicContact CB-CG 4.15Å; D25-W291 VanDerWaalsContact CB-NE1 3.34Å; D25-W291 PolarHBondContact OD2-NE1 3.44Å |
| 26 | K | 87.4 | Confident | 92.8 | Very high | 172 Ų | 172 | 84.6 Ų | 84.6 | 75% | 0.748 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | 5.7 | -178.7 | -62.4 | -176.1 | -179.4 | 179.1 | 0 | 113.7 | E24 F28 | E24-K26 PolarHBondContact O-N 3.38Å; K26-F28 VanDerWaalsContact O-CD1 3.31Å; K26-F28 WeakPolarHBondContact O-CD1 3.4Å; K26-F28 PolarHBondContact O-N 2.89Å |
| 27 | H | 94.3 | Very high | 93.8 | Very high | 83 Ų | 83 | 81 Ų | 81 | 38% | 0.384 | 42% | 0.423 | S | S | . | . | trans | -69.8 | 131.7 | -179.6 | 177.7 | 82.8 | 0 | 0 | 0 | 111.5 | L23 E24 R54 | L23-H27 HydrophobicContact CD1-CB 3.95Å; L23-H27 HydrophobicContact CD2-CB 4.39Å; L23-H27 HydrophobicContact CG-CB 4.02Å; E24-H27 HydrophobicContact CB-CB 4.48Å; E24-H27 VanDerWaalsContact O-CB 3.29Å; E24-H27 WeakPolarHBondContact O-CB 3.09Å; E24-H27 PolarHBondContact O-N 3.21Å; H27-R54 PolarHBondContact CD2-NH2 2.82Å; H27-R54 PolarHBondContact O-NE 3.4Å | ||
| 28 | F | 96.2 | Very high | 94.8 | Very high | 84 Ų | 84 | 77.3 Ų | 77.3 | 37% | 0.368 | 39% | 0.392 | S | S | . | . | trans | -150.9 | 160.8 | 174.5 | 67.8 | -92.6 | 0 | 0 | 0 | 110.8 | K26 R54 Y57 E58 | K26-F28 VanDerWaalsContact O-CD1 3.31Å; K26-F28 WeakPolarHBondContact O-CD1 3.4Å; K26-F28 PolarHBondContact O-N 2.89Å; F28-R54 HydrophobicContact CB-CG 4.28Å; F28-Y57 HydrophobicContact CD1-CD1 4.02Å; F28-Y57 AromaticContact CD1-CG 3.91Å; F28-Y57 HydrophobicContact CD1-CG 3.91Å; F28-Y57 AromaticContact CE1-CD1 3.82Å; F28-Y57 HydrophobicContact CE1-CD1 3.82Å; F28-Y57 HydrophobicContact CE1-CE1 4.42Å; F28-Y57 HydrophobicContact CE1-CG 4.2Å; F28-Y57 HydrophobicContact CG-CG 4.21Å; F28-Y57 HydrophobicContact CZ-CD1 4.19Å; F28-E58 HydrophobicContact CB-CG 3.93Å | ||
| 29 | I | 95.7 | Very high | 95.2 | Very high | 70 Ų | 70 | 69.6 Ų | 69.6 | 36% | 0.359 | 35% | 0.352 | S | S | . | . | trans | -105.4 | 108.6 | 172 | -57.8 | 175.2 | 0 | 0 | 0 | 108.6 | R32 E58 | I29-R32 HydrophobicContact CB-CB 4.41Å; I29-R32 HydrophobicContact CG2-CB 4.21Å; I29-E58 PolarHBondContact N-OE1 3.18Å; I29-E58 WeakPolarHBondContact O-CB 3.44Å; I29-E58 WeakPolarHBondContact O-CG 3.33Å | ||
| 30 | G | 94.3 | Very high | 95.5 | Very high | 45 Ų | 45 | 66.7 Ų | 66.7 | 46% | 0.464 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | 139.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R32 | G30-R32 PolarHBondContact O-N 3.28Š|
| 31 | Q | 95.3 | Very high | 95.8 | Very high | 76 Ų | 76 | 63 Ų | 63 | 36% | 0.355 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 7.4 | 173.4 | -53.2 | -61.1 | -35.4 | 0 | 0 | 116.7 | F33 A34 E58 | Q31-F33 PolarHBondContact O-N 3.21Å; Q31-F33 VanDerWaalsContact O-N 3.11Å; Q31-A34 HydrophobicContact CB-CB 4.21Å; Q31-A34 WeakPolarHBondContact O-CB 3.33Å; Q31-A34 PolarHBondContact O-N 2.96Å; Q31-A34 VanDerWaalsContact O-N 3.1Å; Q31-E58 CarbonylContact C-O 3.54Å; Q31-E58 WeakPolarHBondContact CA-O 3.46Å |
| 32 | R | 97.3 | Very high | 96 | Very high | 43 Ų | 43 | 54 Ų | 54 | 16% | 0.162 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -26.3 | -179.9 | -167.7 | -178 | -171.5 | -157.5 | 2.6 | 113.6 | I29 G30 E58 L298 F299 S302 E304 | I29-R32 HydrophobicContact CB-CB 4.41Å; I29-R32 HydrophobicContact CG2-CB 4.21Å; G30-R32 PolarHBondContact O-N 3.28Å; R32-E58 HydrophobicContact CB-CB 4.36Å; R32-E58 VanDerWaalsContact CD-OE2 3.27Å; R32-E58 WeakPolarHBondContact CD-OE2 3.35Å; R32-E58 PolarHBondContact N-O 3.28Å; R32-L298 PolarHBondContact NH1-O 3.16Å; R32-F299 VanDerWaalsContact NH2-CA 3.34Å; R32-S302 PolarHBondContact NE-OG 3.49Å; R32-S302 PolarHBondContact NH2-OG 3.5Å; R32-E304 IonicContact CZ-OE1 3.34Å; R32-E304 IonicContact CZ-OE2 3Å; R32-E304 IonicContact NE-OE1 3.49Å; R32-E304 PolarHBondContact NE-OE1 3Å; R32-E304 IonicContact NH2-OE1 2.66Å; R32-E304 PolarHBondContact NH2-OE1 2.92Å; R32-E304 IonicContact NH2-OE2 3.45Å; R32-E304 PolarHBondContact NH2-OE2 3.41Å |
| 33 | F | 98.4 | Very high | 96.4 | Very high | 10 Ų | 10 | 48.4 Ų | 48.4 | 4% | 0.044 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119 | 20 | 178.9 | -68.6 | -87.6 | 0 | 0 | 0 | 112.7 | Q31 G35 K36 V38 L55 E58 G59 A60 L298 L301 | Q31-F33 PolarHBondContact O-N 3.21Å; Q31-F33 VanDerWaalsContact O-N 3.11Å; F33-G35 PolarHBondContact O-N 2.82Å; F33-K36 HydrophobicContact CB-CB 4.24Å; F33-K36 HydrophobicContact CD1-CB 4.26Å; F33-K36 HydrophobicContact CD1-CG 4.48Å; F33-K36 WeakPolarHBondContact O-CB 3.38Å; F33-K36 PolarHBondContact O-N 3.48Å; F33-V38 HydrophobicContact CD1-CG2 4.43Å; F33-L55 HydrophobicContact CB-CD2 4.2Å; F33-L55 HydrophobicContact CD1-CD2 3.79Å; F33-L55 HydrophobicContact CD2-CD2 3.63Å; F33-L55 HydrophobicContact CE1-CD2 4.03Å; F33-L55 HydrophobicContact CE2-CD2 3.87Å; F33-L55 HydrophobicContact CG-CD2 3.58Å; F33-L55 HydrophobicContact CZ-CD2 4.07Å; F33-E58 CarbonylContact C-O 3.57Å; F33-E58 WeakPolarHBondContact CA-O 3.27Å; F33-E58 HydrophobicContact CD2-CB 3.85Å; F33-E58 WeakPolarHBondContact CE2-OE2 3.43Å; F33-E58 PolarHBondContact N-O 3.03Å; F33-G59 CarbonylContact O-C 3.32Å; F33-A60 HydrophobicContact CB-CB 3.71Å; F33-A60 WeakPolarHBondContact O-CA 3.46Å; F33-L298 HydrophobicContact CD2-CD2 4.29Å; F33-L298 HydrophobicContact CE2-CB 3.92Å; F33-L298 HydrophobicContact CE2-CD2 3.82Å; F33-L298 HydrophobicContact CE2-CG 3.82Å; F33-L298 HydrophobicContact CZ-CB 4.17Å; F33-L298 HydrophobicContact CZ-CG 4.18Å; F33-L298 WeakPolarHBondContact CZ-O 3.35Å; F33-L301 HydrophobicContact CE1-CB 3.77Å; F33-L301 HydrophobicContact CZ-CB 3.76Å |
| 34 | A | 97.8 | Very high | 96.6 | Very high | 47 Ų | 47 | 46.5 Ų | 46.5 | 39% | 0.388 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 128.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q31 K36 | Q31-A34 HydrophobicContact CB-CB 4.21Å; Q31-A34 WeakPolarHBondContact O-CB 3.33Å; Q31-A34 PolarHBondContact O-N 2.96Å; Q31-A34 VanDerWaalsContact O-N 3.1Å; A34-K36 PolarHBondContact O-N 3.08Å |
| 35 | G | 97.2 | Very high | 96.7 | Very high | 56 Ų | 56 | 45.2 Ų | 45.2 | 58% | 0.577 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | -4.2 | -177 | 0 | 0 | 0 | 0 | 0 | 115.3 | F33 | F33-G35 PolarHBondContact O-N 2.82Š|
| 36 | K | 98.4 | Very high | 96.9 | Very high | 82 Ų | 82 | 43.1 Ų | 43.1 | 36% | 0.357 | 24% | 0.238 | S | C | . | . | trans | -88.2 | 140.1 | 178.1 | -59.2 | -60.4 | -171.3 | 179 | 0 | 111.5 | F33 A34 N61 D121 | F33-K36 HydrophobicContact CB-CB 4.24Å; F33-K36 HydrophobicContact CD1-CB 4.26Å; F33-K36 HydrophobicContact CD1-CG 4.48Å; F33-K36 WeakPolarHBondContact O-CB 3.38Å; F33-K36 PolarHBondContact O-N 3.48Å; A34-K36 PolarHBondContact O-N 3.08Å; K36-N61 PolarHBondContact O-N 2.97Å; K36-D121 WeakPolarHBondContact CA-OD2 3.36Å; K36-D121 HydrophobicContact CB-CB 4.17Å; K36-D121 HydrophobicContact CD-CB 3.78Å; K36-D121 VanDerWaalsContact CD-CG 3.4Å; K36-D121 VanDerWaalsContact CD-OD1 3.22Å; K36-D121 WeakPolarHBondContact CD-OD1 3.39Å; K36-D121 IonicContact NZ-OD1 3.67Å; K36-D121 PolarHBondContact NZ-OD1 3.25Å | ||
| 37 | T | 98.8 | Very high | 97.4 | Very high | 9 Ų | 9 | 36.1 Ų | 36.1 | 6% | 0.055 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 121.2 | 176.3 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | N61 I63 F116 I120 D121 G122 | T37-N61 WeakPolarHBondContact CA-O 3.39Å; T37-N61 HydrophobicContact CG2-CB 4.1Å; T37-N61 WeakPolarHBondContact OG1-CB 3.49Å; T37-I63 HydrophobicContact CG2-CD1 3.9Å; T37-I63 HydrophobicContact CG2-CG1 4.17Å; T37-F116 HydrophobicContact CG2-CB 4.35Å; T37-F116 HydrophobicContact CG2-CD1 3.62Å; T37-F116 HydrophobicContact CG2-CE1 4.09Å; T37-F116 HydrophobicContact CG2-CG 4Å; T37-I120 HydrophobicContact CG2-CG2 4.1Å; T37-D121 PolarHBondContact N-OD2 2.78Å; T37-D121 PolarHBondContact O-N 2.92Å; T37-G122 PolarHBondContact O-N 3.31Å |
| 38 | V | 98.9 | Very high | 97.6 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 127.4 | -177.3 | -174.6 | 0 | 0 | 0 | 0 | 111.5 | F33 I40 L55 N61 L62 I63 G122 V124 L301 | F33-V38 HydrophobicContact CD1-CG2 4.43Å; V38-I40 HydrophobicContact CG1-CG1 4.12Å; V38-L55 HydrophobicContact CB-CD1 4.1Å; V38-L55 HydrophobicContact CG1-CD1 3.79Å; V38-L55 HydrophobicContact CG2-CD1 4.4Å; V38-L55 HydrophobicContact CG2-CD2 4.12Å; V38-N61 PolarHBondContact N-O 3.3Å; V38-L62 HydrophobicContact CB-CD2 4.27Å; V38-I63 PolarHBondContact O-N 3.18Å; V38-G122 WeakPolarHBondContact CA-O 3.48Å; V38-V124 HydrophobicContact CG1-CG2 4.37Å; V38-L301 HydrophobicContact CG1-CD1 4.26Å |
| 39 | L | 98.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 130.6 | 173.1 | -170.8 | 157.8 | 0 | 0 | 0 | 111 | T41 I63 V65 L108 V112 I120 G122 A123 V124 | L39-T41 HydrophobicContact CD2-CG2 3.84Å; L39-I63 HydrophobicContact CB-CB 4.17Å; L39-I63 HydrophobicContact CB-CD1 4.49Å; L39-I63 HydrophobicContact CD1-CG2 4.18Å; L39-I63 HydrophobicContact CG-CB 4.11Å; L39-I63 HydrophobicContact CG-CG2 4.01Å; L39-V65 HydrophobicContact CD2-CG2 4.07Å; L39-V65 HydrophobicContact CG-CG2 4.18Å; L39-L108 HydrophobicContact CD1-CD2 4.46Å; L39-V112 HydrophobicContact CD1-CG2 4.19Å; L39-I120 HydrophobicContact CB-CD1 4.38Å; L39-G122 PolarHBondContact N-O 3.42Å; L39-A123 HydrophobicContact CB-CB 4.43Å; L39-A123 CarbonylContact O-C 3.48Å; L39-A123 WeakPolarHBondContact O-CA 3.43Å; L39-V124 PolarHBondContact O-N 3.22Å |
| 40 | I | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 115.5 | -177.7 | -54.3 | 171.4 | 0 | 0 | 0 | 108.9 | V38 A43 A52 L55 L62 I63 V65 V124 | V38-I40 HydrophobicContact CG1-CG1 4.12Å; I40-A43 HydrophobicContact CB-CB 4.21Å; I40-A43 HydrophobicContact CG2-CB 3.96Å; I40-A52 HydrophobicContact CD1-CB 3.68Å; I40-L55 HydrophobicContact CD1-CD1 3.71Å; I40-L55 HydrophobicContact CG1-CD1 4.44Å; I40-L62 HydrophobicContact CD1-CD2 3.91Å; I40-I63 PolarHBondContact N-O 3.46Å; I40-V65 WeakPolarHBondContact O-CA 3.29Å; I40-V65 WeakPolarHBondContact O-CB 3.1Å; I40-V65 PolarHBondContact O-N 2.92Å; I40-V124 WeakPolarHBondContact CA-O 3.32Å; I40-V124 HydrophobicContact CG1-CB 4.26Å; I40-V124 HydrophobicContact CG1-CG2 4.4Å; I40-V124 HydrophobicContact CG2-CB 4.22Å |
| 41 | T | 98.8 | Very high | 98 | Very high | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.018 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 146.1 | 166.6 | 70 | 0 | 0 | 0 | 0 | 110.2 | L39 A43 V65 V99 V124 N125 A126 A127 | L39-T41 HydrophobicContact CD2-CG2 3.84Å; T41-A43 VanDerWaalsContact C-N 3.33Å; T41-V65 CarbonylContact C-O 3.22Å; T41-V65 VanDerWaalsContact CA-O 3.3Å; T41-V65 WeakPolarHBondContact CA-O 3.37Å; T41-V65 HydrophobicContact CG2-CB 4.21Å; T41-V65 HydrophobicContact CG2-CG1 4.27Å; T41-V99 HydrophobicContact CG2-CG1 4.2Å; T41-V124 PolarHBondContact N-O 2.86Å; T41-N125 WeakPolarHBondContact OG1-CA 3.5Å; T41-N125 PolarHBondContact OG1-OD1 2.89Å; T41-A126 WeakPolarHBondContact O-CA 3.39Å; T41-A126 VanDerWaalsContact O-CB 3.27Å; T41-A126 WeakPolarHBondContact O-CB 3.48Å; T41-A126 PolarHBondContact O-N 3.46Å; T41-A126 VanDerWaalsContact O-N 3.12Å; T41-A126 PolarHBondContact OG1-N 2.97Å; T41-A127 PolarHBondContact O-N 3.44Å |
| 42 | G | 98.3 | Very high | 98.2 | Very high | 10 Ų | 10 | 21.7 Ų | 21.7 | 10% | 0.103 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 24.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A44 G48 V65 D66 | G42-A44 VanDerWaalsContact C-N 3.26Å; G42-A44 PolarHBondContact O-N 3.43Å; G42-G48 WeakPolarHBondContact O-CA 3.31Å; G42-V65 PolarHBondContact N-O 2.92Å; G42-D66 WeakPolarHBondContact CA-OD2 3.41Å |
| 43 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -12.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | I40 T41 R45 K49 L64 V65 D66 T75 | I40-A43 HydrophobicContact CB-CB 4.21Å; I40-A43 HydrophobicContact CG2-CB 3.96Å; T41-A43 VanDerWaalsContact C-N 3.33Å; A43-R45 PolarHBondContact O-N 3.04Å; A43-K49 WeakPolarHBondContact O-CA 3.33Å; A43-L64 HydrophobicContact CB-CB 3.86Å; A43-L64 HydrophobicContact CB-CD2 4.02Å; A43-L64 HydrophobicContact CB-CG 4.5Å; A43-V65 PolarHBondContact N-O 3.12Å; A43-D66 PolarHBondContact N-OD2 2.94Å; A43-D66 VanDerWaalsContact N-OD2 3.11Å; A43-T75 WeakPolarHBondContact O-CG2 3.46Å |
| 44 | A | 98.1 | Very high | 98.2 | Very high | 4 Ų | 4 | 20.1 Ų | 20.1 | 3% | 0.033 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -26.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | G42 D66 F68 E71 T75 | G42-A44 VanDerWaalsContact C-N 3.26Å; G42-A44 PolarHBondContact O-N 3.43Å; A44-D66 HydrophobicContact CB-CB 3.63Å; A44-D66 WeakPolarHBondContact CB-OD2 3.48Å; A44-D66 PolarHBondContact N-OD2 3.03Å; A44-F68 HydrophobicContact CB-CB 3.88Å; A44-E71 HydrophobicContact CB-CB 3.71Å; A44-T75 PolarHBondContact O-OG1 3.25Å |
| 45 | R | 96.8 | Very high | 98.3 | Very high | 86 Ų | 86 | 17.9 Ų | 17.9 | 33% | 0.325 | 10% | 0.104 | S | C | . | . | S | Bend | trans | -153 | 169.5 | -174 | 64.5 | -174.8 | -172.4 | -177.9 | 1.5 | 112.8 | A43 I47 K49 F68 | A43-R45 PolarHBondContact O-N 3.04Å; R45-I47 PolarHBondContact O-N 3.19Å; R45-K49 PolarHBondContact O-N 3.22Å; R45-F68 VanDerWaalsContact CZ-CZ 3.42Å; R45-F68 VanDerWaalsContact NH1-CZ 3.28Å |
| 46 | G | 96.3 | Very high | 98.3 | Very high | 23 Ų | 23 | 15.2 Ų | 15.2 | 24% | 0.237 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | 56.8 | -133.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | K49 A50 | G46-K49 PolarHBondContact O-N 3.32Å; G46-A50 PolarHBondContact O-N 2.72Å |
| 47 | I | 97.6 | Very high | 98.3 | Very high | 24 Ų | 24 | 14.4 Ų | 14.4 | 12% | 0.123 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -63.1 | -44.8 | -173.6 | -63.4 | 140.9 | 0 | 0 | 0 | 112 | R45 K49 A50 A51 I197 M242 V245 T247 V290 I297 | R45-I47 PolarHBondContact O-N 3.19Å; I47-K49 PolarHBondContact O-N 3.4Å; I47-A50 PolarHBondContact O-N 3.04Å; I47-A51 WeakPolarHBondContact O-CB 3.12Å; I47-A51 PolarHBondContact O-N 2.91Å; I47-I197 HydrophobicContact CG2-CD1 4.29Å; I47-M242 HydrophobicContact CD1-CE 3.96Å; I47-M242 HydrophobicContact CD1-SD 3.26Å; I47-M242 WeakPolarHBondContact CD1-SD 3.41Å; I47-M242 HydrophobicContact CG1-CE 4.45Å; I47-M242 HydrophobicContact CG1-SD 4.15Å; I47-M242 HydrophobicContact CG2-CE 4.38Å; I47-V245 HydrophobicContact CD1-CG2 4.47Å; I47-V245 HydrophobicContact CG1-CG1 4.33Å; I47-T247 HydrophobicContact CD1-CG2 4.39Å; I47-T247 HydrophobicContact CG1-CG2 4.29Å; I47-V290 HydrophobicContact CG1-CG1 4.44Å; I47-I297 HydrophobicContact CG2-CD1 3.42Å; I47-I297 VanDerWaalsContact CG2-CD1 3.42Å |
| 48 | G | 98.4 | Very high | 98.3 | Very high | 2 Ų | 2 | 14 Ų | 14 | 2% | 0.021 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.4 | -40.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | G42 A51 A52 | G42-G48 WeakPolarHBondContact O-CA 3.31Å; G48-A51 PolarHBondContact O-N 3.36Å; G48-A52 WeakPolarHBondContact O-CB 3.32Å; G48-A52 PolarHBondContact O-N 3.25Å |
| 49 | K | 98.4 | Very high | 98.2 | Very high | 53 Ų | 53 | 13.9 Ų | 13.9 | 23% | 0.23 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60.2 | -47.3 | 171.5 | 178.2 | 174.2 | -177.5 | 179.4 | 0 | 111.8 | A43 R45 G46 I47 A51 A52 I53 T75 E78 | A43-K49 WeakPolarHBondContact O-CA 3.33Å; R45-K49 PolarHBondContact O-N 3.22Å; G46-K49 PolarHBondContact O-N 3.32Å; I47-K49 PolarHBondContact O-N 3.4Å; K49-A51 VanDerWaalsContact C-N 3.35Å; K49-A51 PolarHBondContact O-N 2.99Å; K49-A52 WeakPolarHBondContact O-CB 3.26Å; K49-A52 PolarHBondContact O-N 2.91Å; K49-I53 HydrophobicContact CG-CG1 4.29Å; K49-I53 WeakPolarHBondContact O-CG1 3.32Å; K49-I53 PolarHBondContact O-N 3.1Å; K49-T75 HydrophobicContact CB-CG2 4.46Å; K49-T75 HydrophobicContact CD-CG2 4.47Å; K49-T75 WeakPolarHBondContact CD-OG1 3.31Å; K49-T75 HydrophobicContact CG-CG2 3.88Å; K49-E78 WeakPolarHBondContact CE-OE2 3.25Å; K49-E78 IonicContact NZ-OE1 3.4Å; K49-E78 PolarHBondContact NZ-OE1 3.44Å; K49-E78 IonicContact NZ-OE2 2.79Å; K49-E78 PolarHBondContact NZ-OE2 2.66Å |
| 50 | A | 98.1 | Very high | 98.2 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.008 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -63 | -41 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G46 I47 I53 R54 V290 W291 A294 | G46-A50 PolarHBondContact O-N 2.72Å; I47-A50 PolarHBondContact O-N 3.04Å; A50-I53 PolarHBondContact O-N 2.97Å; A50-R54 WeakPolarHBondContact O-CB 3.49Å; A50-R54 PolarHBondContact O-N 3.21Å; A50-V290 HydrophobicContact CB-CB 3.59Å; A50-V290 HydrophobicContact CB-CG2 3.62Å; A50-W291 HydrophobicContact CB-CE3 3.89Å; A50-W291 HydrophobicContact CB-CH2 4.42Å; A50-W291 HydrophobicContact CB-CZ3 3.84Å; A50-A294 HydrophobicContact CB-CB 4.23Å |
| 51 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.6 | -44.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | I47 G48 K49 R54 L55 L298 | I47-A51 WeakPolarHBondContact O-CB 3.12Å; I47-A51 PolarHBondContact O-N 2.91Å; G48-A51 PolarHBondContact O-N 3.36Å; K49-A51 VanDerWaalsContact C-N 3.35Å; K49-A51 PolarHBondContact O-N 2.99Å; A51-R54 PolarHBondContact O-N 2.92Å; A51-L55 VanDerWaalsContact O-CB 3.27Å; A51-L55 WeakPolarHBondContact O-CB 3.44Å; A51-L55 WeakPolarHBondContact O-CD1 3.42Å; A51-L55 WeakPolarHBondContact O-CG 3.47Å; A51-L55 PolarHBondContact O-N 3.09Å; A51-L298 HydrophobicContact CB-CD1 4.41Å |
| 52 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61.4 | -47.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I40 G48 K49 R54 L55 A56 L62 L64 T75 V79 | I40-A52 HydrophobicContact CD1-CB 3.68Å; G48-A52 WeakPolarHBondContact O-CB 3.32Å; G48-A52 PolarHBondContact O-N 3.25Å; K49-A52 WeakPolarHBondContact O-CB 3.26Å; K49-A52 PolarHBondContact O-N 2.91Å; A52-R54 VanDerWaalsContact C-N 3.34Å; A52-R54 PolarHBondContact O-N 3.11Å; A52-L55 PolarHBondContact O-N 2.9Å; A52-A56 WeakPolarHBondContact O-CB 3.28Å; A52-A56 PolarHBondContact O-N 3.26Å; A52-L62 VanDerWaalsContact O-CD1 3.25Å; A52-L62 WeakPolarHBondContact O-CD1 3.45Å; A52-L64 HydrophobicContact CB-CD2 3.6Å; A52-T75 HydrophobicContact CB-CG2 4.39Å; A52-V79 HydrophobicContact CB-CG2 4.26Å |
| 53 | I | 98.5 | Very high | 98.2 | Very high | 13 Ų | 13 | 14.6 Ų | 14.6 | 7% | 0.067 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -60.8 | -45.2 | 177.7 | -68.1 | -63.5 | 0 | 0 | 0 | 110.7 | K49 A50 A56 Y57 E78 V79 I82 W291 | K49-I53 HydrophobicContact CG-CG1 4.29Å; K49-I53 WeakPolarHBondContact O-CG1 3.32Å; K49-I53 PolarHBondContact O-N 3.1Å; A50-I53 PolarHBondContact O-N 2.97Å; I53-A56 WeakPolarHBondContact O-CB 3.49Å; I53-A56 PolarHBondContact O-N 3.26Å; I53-Y57 HydrophobicContact CG2-CD2 4.21Å; I53-Y57 HydrophobicContact CG2-CE2 4.04Å; I53-Y57 WeakPolarHBondContact O-CD2 3.22Å; I53-Y57 PolarHBondContact O-N 3.34Å; I53-E78 HydrophobicContact CD1-CB 3.62Å; I53-V79 HydrophobicContact CD1-CG2 4.04Å; I53-I82 HydrophobicContact CD1-CD1 3.83Å; I53-I82 HydrophobicContact CG2-CD1 3.82Å; I53-W291 HydrophobicContact CB-CH2 4.26Å; I53-W291 HydrophobicContact CB-CZ3 4.13Å; I53-W291 HydrophobicContact CG2-CH2 3.92Å; I53-W291 HydrophobicContact CG2-CZ3 3.92Å |
| 54 | R | 98.1 | Very high | 98.3 | Very high | 6 Ų | 6 | 14.6 Ų | 14.6 | 2% | 0.023 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -67.8 | -45 | 179.4 | -167.6 | 170.7 | 169.6 | 161.5 | -4.9 | 111.9 | H27 F28 A50 A51 A52 A56 Y57 E58 S295 L298 | H27-R54 PolarHBondContact CD2-NH2 2.82Å; H27-R54 PolarHBondContact O-NE 3.4Å; F28-R54 HydrophobicContact CB-CG 4.28Å; A50-R54 WeakPolarHBondContact O-CB 3.49Å; A50-R54 PolarHBondContact O-N 3.21Å; A51-R54 PolarHBondContact O-N 2.92Å; A52-R54 VanDerWaalsContact C-N 3.34Å; A52-R54 PolarHBondContact O-N 3.11Å; R54-A56 PolarHBondContact O-N 2.76Å; R54-Y57 WeakPolarHBondContact O-CB 3.19Å; R54-Y57 PolarHBondContact O-N 2.69Å; R54-E58 HydrophobicContact CG-CG 4.32Å; R54-E58 IonicContact CZ-OE1 2.93Å; R54-E58 IonicContact NE-OE1 3.22Å; R54-E58 PolarHBondContact NE-OE1 3.33Å; R54-E58 IonicContact NH2-OE1 2.79Å; R54-E58 PolarHBondContact NH2-OE1 2.85Å; R54-E58 WeakPolarHBondContact O-CG 3.09Å; R54-E58 PolarHBondContact O-N 2.86Å; R54-S295 PolarHBondContact NH1-OG 3.49Å; R54-S295 PolarHBondContact NH2-OG 3.18Å; R54-L298 HydrophobicContact CB-CD2 4.11Å; R54-L298 HydrophobicContact CG-CD2 3.68Å |
| 55 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -58.3 | -33.2 | 175.1 | -80.5 | 162.1 | 0 | 0 | 0 | 112.6 | F33 V38 I40 A51 A52 E58 G59 A60 L62 L298 L301 | F33-L55 HydrophobicContact CB-CD2 4.2Å; F33-L55 HydrophobicContact CD1-CD2 3.79Å; F33-L55 HydrophobicContact CD2-CD2 3.63Å; F33-L55 HydrophobicContact CE1-CD2 4.03Å; F33-L55 HydrophobicContact CE2-CD2 3.87Å; F33-L55 HydrophobicContact CG-CD2 3.58Å; F33-L55 HydrophobicContact CZ-CD2 4.07Å; V38-L55 HydrophobicContact CB-CD1 4.1Å; V38-L55 HydrophobicContact CG1-CD1 3.79Å; V38-L55 HydrophobicContact CG2-CD1 4.4Å; V38-L55 HydrophobicContact CG2-CD2 4.12Å; I40-L55 HydrophobicContact CD1-CD1 3.71Å; I40-L55 HydrophobicContact CG1-CD1 4.44Å; A51-L55 VanDerWaalsContact O-CB 3.27Å; A51-L55 WeakPolarHBondContact O-CB 3.44Å; A51-L55 WeakPolarHBondContact O-CD1 3.42Å; A51-L55 WeakPolarHBondContact O-CG 3.47Å; A51-L55 PolarHBondContact O-N 3.09Å; A52-L55 PolarHBondContact O-N 2.9Å; L55-E58 CarbonylContact O-C 3.6Å; L55-E58 PolarHBondContact O-N 3.22Å; L55-G59 PolarHBondContact O-N 3.45Å; L55-G59 VanDerWaalsContact O-N 3.08Å; L55-A60 HydrophobicContact CB-CB 3.93Å; L55-A60 HydrophobicContact CD2-CB 3.99Å; L55-A60 WeakPolarHBondContact O-CB 3.42Å; L55-A60 PolarHBondContact O-N 3.01Å; L55-L62 HydrophobicContact CB-CD1 4.33Å; L55-L62 HydrophobicContact CB-CD2 3.77Å; L55-L62 HydrophobicContact CD1-CD2 4.04Å; L55-L62 HydrophobicContact CG-CD2 4.49Å; L55-L298 HydrophobicContact CD1-CD1 4.45Å; L55-L298 HydrophobicContact CD2-CD1 4.48Å; L55-L298 HydrophobicContact CD2-CD2 3.99Å; L55-L298 HydrophobicContact CD2-CG 3.96Å; L55-L298 HydrophobicContact CG-CD1 4.02Å; L55-L298 HydrophobicContact CG-CD2 3.97Å; L55-L298 HydrophobicContact CG-CG 4.01Å; L55-L301 HydrophobicContact CD1-CD1 4.37Å |
| 56 | A | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -63.5 | -45.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A52 I53 R54 E58 G59 L62 V79 I82 Q83 | A52-A56 WeakPolarHBondContact O-CB 3.28Å; A52-A56 PolarHBondContact O-N 3.26Å; I53-A56 WeakPolarHBondContact O-CB 3.49Å; I53-A56 PolarHBondContact O-N 3.26Å; R54-A56 PolarHBondContact O-N 2.76Å; A56-E58 VanDerWaalsContact C-N 3.28Å; A56-E58 PolarHBondContact O-N 2.96Å; A56-G59 PolarHBondContact O-N 3.17Å; A56-L62 HydrophobicContact CB-CD1 3.99Å; A56-V79 HydrophobicContact CB-CB 4.46Å; A56-V79 HydrophobicContact CB-CG1 3.95Å; A56-V79 HydrophobicContact CB-CG2 4.39Å; A56-I82 HydrophobicContact CB-CB 4.02Å; A56-I82 HydrophobicContact CB-CD1 4.35Å; A56-I82 HydrophobicContact CB-CG2 3.73Å; A56-Q83 HydrophobicContact CB-CG 4.24Å |
| 57 | Y | 98.1 | Very high | 98.4 | Very high | 65 Ų | 65 | 15.5 Ų | 15.5 | 26% | 0.255 | 7% | 0.067 | S | C | . | . | H | α-helix | trans | -64.9 | -31.9 | 173.9 | -79.6 | -69.4 | 0 | 0 | 0 | 113 | F28 I53 R54 G59 I82 V86 | F28-Y57 HydrophobicContact CD1-CD1 4.02Å; F28-Y57 AromaticContact CD1-CG 3.91Å; F28-Y57 HydrophobicContact CD1-CG 3.91Å; F28-Y57 AromaticContact CE1-CD1 3.82Å; F28-Y57 HydrophobicContact CE1-CD1 3.82Å; F28-Y57 HydrophobicContact CE1-CE1 4.42Å; F28-Y57 HydrophobicContact CE1-CG 4.2Å; F28-Y57 HydrophobicContact CG-CG 4.21Å; F28-Y57 HydrophobicContact CZ-CD1 4.19Å; I53-Y57 HydrophobicContact CG2-CD2 4.21Å; I53-Y57 HydrophobicContact CG2-CE2 4.04Å; I53-Y57 WeakPolarHBondContact O-CD2 3.22Å; I53-Y57 PolarHBondContact O-N 3.34Å; R54-Y57 WeakPolarHBondContact O-CB 3.19Å; R54-Y57 PolarHBondContact O-N 2.69Å; Y57-G59 VanDerWaalsContact C-N 3.27Å; Y57-G59 PolarHBondContact O-N 3.02Å; Y57-I82 HydrophobicContact CD1-CG2 3.55Å; Y57-I82 HydrophobicContact CD2-CD1 3.97Å; Y57-I82 HydrophobicContact CD2-CG1 4.43Å; Y57-I82 HydrophobicContact CD2-CG2 3.93Å; Y57-I82 HydrophobicContact CE1-CG1 4.23Å; Y57-I82 HydrophobicContact CE1-CG2 3.73Å; Y57-I82 HydrophobicContact CE2-CD1 3.49Å; Y57-I82 VanDerWaalsContact CE2-CD1 3.49Å; Y57-I82 HydrophobicContact CE2-CG1 3.84Å; Y57-I82 HydrophobicContact CE2-CG2 4.09Å; Y57-I82 HydrophobicContact CG-CG2 3.64Å; Y57-V86 HydrophobicContact CD1-CG2 4.3Å |
| 58 | E | 98.2 | Very high | 98.4 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 6.4 | 178.5 | -55.4 | -163.2 | -170.7 | 0 | 0 | 113.2 | F28 I29 Q31 R32 F33 R54 L55 A56 L298 | F28-E58 HydrophobicContact CB-CG 3.93Å; I29-E58 PolarHBondContact N-OE1 3.18Å; I29-E58 WeakPolarHBondContact O-CB 3.44Å; I29-E58 WeakPolarHBondContact O-CG 3.33Å; Q31-E58 CarbonylContact C-O 3.54Å; Q31-E58 WeakPolarHBondContact CA-O 3.46Å; R32-E58 HydrophobicContact CB-CB 4.36Å; R32-E58 VanDerWaalsContact CD-OE2 3.27Å; R32-E58 WeakPolarHBondContact CD-OE2 3.35Å; R32-E58 PolarHBondContact N-O 3.28Å; F33-E58 CarbonylContact C-O 3.57Å; F33-E58 WeakPolarHBondContact CA-O 3.27Å; F33-E58 HydrophobicContact CD2-CB 3.85Å; F33-E58 WeakPolarHBondContact CE2-OE2 3.43Å; F33-E58 PolarHBondContact N-O 3.03Å; R54-E58 HydrophobicContact CG-CG 4.32Å; R54-E58 IonicContact CZ-OE1 2.93Å; R54-E58 IonicContact NE-OE1 3.22Å; R54-E58 PolarHBondContact NE-OE1 3.33Å; R54-E58 IonicContact NH2-OE1 2.79Å; R54-E58 PolarHBondContact NH2-OE1 2.85Å; R54-E58 WeakPolarHBondContact O-CG 3.09Å; R54-E58 PolarHBondContact O-N 2.86Å; L55-E58 CarbonylContact O-C 3.6Å; L55-E58 PolarHBondContact O-N 3.22Å; A56-E58 VanDerWaalsContact C-N 3.28Å; A56-E58 PolarHBondContact O-N 2.96Å; E58-L298 VanDerWaalsContact CD-CD2 3.42Å; E58-L298 HydrophobicContact CG-CD2 4.14Å; E58-L298 WeakPolarHBondContact OE2-CD2 3.43Å |
| 59 | G | 98.2 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.3 | 12.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | F33 L55 A56 Y57 S88 S90 | F33-G59 CarbonylContact O-C 3.32Å; L55-G59 PolarHBondContact O-N 3.45Å; L55-G59 VanDerWaalsContact O-N 3.08Å; A56-G59 PolarHBondContact O-N 3.17Å; Y57-G59 VanDerWaalsContact C-N 3.27Å; Y57-G59 PolarHBondContact O-N 3.02Å; G59-S88 WeakPolarHBondContact CA-OG 3.4Å; G59-S88 PolarHBondContact O-OG 3.39Å; G59-S90 WeakPolarHBondContact O-CB 3.41Å |
| 60 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -76.4 | 145.9 | -175 | 0 | 0 | 0 | 0 | 0 | 114 | F33 L55 L62 Q83 S90 | F33-A60 HydrophobicContact CB-CB 3.71Å; F33-A60 WeakPolarHBondContact O-CA 3.46Å; L55-A60 HydrophobicContact CB-CB 3.93Å; L55-A60 HydrophobicContact CD2-CB 3.99Å; L55-A60 WeakPolarHBondContact O-CB 3.42Å; L55-A60 PolarHBondContact O-N 3.01Å; A60-L62 HydrophobicContact CB-CD2 4.2Å; A60-L62 HydrophobicContact CB-CG 4.38Å; A60-Q83 PolarHBondContact O-NE2 3.42Å; A60-S90 VanDerWaalsContact O-CB 3.25Å; A60-S90 WeakPolarHBondContact O-CB 3.46Å | ||
| 61 | N | 98.7 | Very high | 98.3 | Very high | 29 Ų | 29 | 28.6 Ų | 28.6 | 16% | 0.155 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 137 | 155.9 | -67.1 | -60.4 | 0 | 0 | 0 | 109.7 | K36 T37 V38 S90 S91 F116 | K36-N61 PolarHBondContact O-N 2.97Å; T37-N61 WeakPolarHBondContact CA-O 3.39Å; T37-N61 HydrophobicContact CG2-CB 4.1Å; T37-N61 WeakPolarHBondContact OG1-CB 3.49Å; V38-N61 PolarHBondContact N-O 3.3Å; N61-S90 WeakPolarHBondContact OD1-CA 3.43Å; N61-S91 CarbonylContact C-O 3.59Å; N61-S91 VanDerWaalsContact CA-O 3.28Å; N61-S91 WeakPolarHBondContact CA-O 3.48Å; N61-S91 PolarHBondContact OD1-N 2.95Å; N61-S91 PolarHBondContact OD1-OG 3.47Å; N61-F116 HydrophobicContact CB-CE1 4.11Å |
| 62 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 134.2 | -169.2 | -72 | 176.9 | 0 | 0 | 0 | 113.9 | V38 I40 A52 L55 A56 A60 L64 V79 S91 V92 R93 | V38-L62 HydrophobicContact CB-CD2 4.27Å; I40-L62 HydrophobicContact CD1-CD2 3.91Å; A52-L62 VanDerWaalsContact O-CD1 3.25Å; A52-L62 WeakPolarHBondContact O-CD1 3.45Å; L55-L62 HydrophobicContact CB-CD1 4.33Å; L55-L62 HydrophobicContact CB-CD2 3.77Å; L55-L62 HydrophobicContact CD1-CD2 4.04Å; L55-L62 HydrophobicContact CG-CD2 4.49Å; A56-L62 HydrophobicContact CB-CD1 3.99Å; A60-L62 HydrophobicContact CB-CD2 4.2Å; A60-L62 HydrophobicContact CB-CG 4.38Å; L62-L64 HydrophobicContact CB-CD2 4.26Å; L62-V79 HydrophobicContact CD1-CG1 3.63Å; L62-V79 HydrophobicContact CD1-CG2 4.2Å; L62-S91 PolarHBondContact N-O 3.36Å; L62-V92 HydrophobicContact CB-CB 4.22Å; L62-V92 HydrophobicContact CB-CG2 3.9Å; L62-V92 CarbonylContact O-C 3.51Å; L62-V92 VanDerWaalsContact O-CA 3.29Å; L62-V92 WeakPolarHBondContact O-CA 3.41Å; L62-R93 PolarHBondContact O-N 3.35Å |
| 63 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 100 | 172.2 | -51.8 | 176.3 | 0 | 0 | 0 | 107.7 | T37 V38 L39 I40 V65 F95 V112 F116 I120 | T37-I63 HydrophobicContact CG2-CD1 3.9Å; T37-I63 HydrophobicContact CG2-CG1 4.17Å; V38-I63 PolarHBondContact O-N 3.18Å; L39-I63 HydrophobicContact CB-CB 4.17Å; L39-I63 HydrophobicContact CB-CD1 4.49Å; L39-I63 HydrophobicContact CD1-CG2 4.18Å; L39-I63 HydrophobicContact CG-CB 4.11Å; L39-I63 HydrophobicContact CG-CG2 4.01Å; I40-I63 PolarHBondContact N-O 3.46Å; I63-V65 HydrophobicContact CG2-CG2 4.04Å; I63-F95 HydrophobicContact CG2-CD2 3.8Å; I63-F95 HydrophobicContact CG2-CE2 3.82Å; I63-V112 HydrophobicContact CD1-CB 4.33Å; I63-V112 HydrophobicContact CD1-CG1 3.55Å; I63-V112 HydrophobicContact CD1-CG2 3.96Å; I63-V112 HydrophobicContact CG2-CG2 4.03Å; I63-F116 HydrophobicContact CD1-CD2 3.57Å; I63-F116 HydrophobicContact CD1-CE2 3.81Å; I63-F116 HydrophobicContact CD1-CG 4.06Å; I63-F116 HydrophobicContact CD1-CZ 4.46Å; I63-F116 HydrophobicContact CG1-CD2 3.81Å; I63-F116 HydrophobicContact CG1-CE1 4.46Å; I63-F116 HydrophobicContact CG1-CE2 3.47Å; I63-F116 VanDerWaalsContact CG1-CE2 3.47Å; I63-F116 HydrophobicContact CG1-CG 4.43Å; I63-F116 HydrophobicContact CG1-CZ 3.83Å; I63-I120 HydrophobicContact CD1-CG2 3.75Å |
| 64 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 119.6 | -178.2 | -51.5 | -179.4 | 0 | 0 | 0 | 109.7 | A43 A52 L62 T72 T75 V79 V92 R93 A94 F95 | A43-L64 HydrophobicContact CB-CB 3.86Å; A43-L64 HydrophobicContact CB-CD2 4.02Å; A43-L64 HydrophobicContact CB-CG 4.5Å; A52-L64 HydrophobicContact CB-CD2 3.6Å; L62-L64 HydrophobicContact CB-CD2 4.26Å; L64-T72 HydrophobicContact CB-CG2 4.49Å; L64-T75 HydrophobicContact CD1-CG2 4.12Å; L64-V79 HydrophobicContact CD1-CG2 4.35Å; L64-V92 HydrophobicContact CD1-CG2 3.74Å; L64-V92 HydrophobicContact CG-CG2 3.84Å; L64-R93 PolarHBondContact N-O 2.83Å; L64-A94 HydrophobicContact CB-CB 4.22Å; L64-A94 CarbonylContact O-C 3.58Å; L64-A94 VanDerWaalsContact O-CA 3.29Å; L64-A94 WeakPolarHBondContact O-CA 3.32Å; L64-F95 PolarHBondContact O-N 3.41Å |
| 65 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 124 | -177.7 | -175.1 | 0 | 0 | 0 | 0 | 109.4 | L39 I40 T41 G42 A43 I63 F95 V97 L108 | L39-V65 HydrophobicContact CD2-CG2 4.07Å; L39-V65 HydrophobicContact CG-CG2 4.18Å; I40-V65 WeakPolarHBondContact O-CA 3.29Å; I40-V65 WeakPolarHBondContact O-CB 3.1Å; I40-V65 PolarHBondContact O-N 2.92Å; T41-V65 CarbonylContact C-O 3.22Å; T41-V65 VanDerWaalsContact CA-O 3.3Å; T41-V65 WeakPolarHBondContact CA-O 3.37Å; T41-V65 HydrophobicContact CG2-CB 4.21Å; T41-V65 HydrophobicContact CG2-CG1 4.27Å; G42-V65 PolarHBondContact N-O 2.92Å; A43-V65 PolarHBondContact N-O 3.12Å; I63-V65 HydrophobicContact CG2-CG2 4.04Å; V65-F95 WeakPolarHBondContact CA-O 3.28Å; V65-V97 HydrophobicContact CG1-CB 3.63Å; V65-V97 HydrophobicContact CG1-CG1 4.25Å; V65-V97 HydrophobicContact CG1-CG2 3.84Å; V65-L108 HydrophobicContact CG1-CD2 3.99Å; V65-L108 HydrophobicContact CG2-CD1 3.9Å; V65-L108 HydrophobicContact CG2-CD2 3.91Å |
| 66 | D | 98.6 | Very high | 98.3 | Very high | 14 Ų | 14 | 42.5 Ų | 42.5 | 8% | 0.075 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 171.8 | 175.2 | -152.3 | -71.8 | 0 | 0 | 0 | 110.9 | G42 A43 A44 F68 T72 F95 I96 V97 | G42-D66 WeakPolarHBondContact CA-OD2 3.41Å; A43-D66 PolarHBondContact N-OD2 2.94Å; A43-D66 VanDerWaalsContact N-OD2 3.11Å; A44-D66 HydrophobicContact CB-CB 3.63Å; A44-D66 WeakPolarHBondContact CB-OD2 3.48Å; A44-D66 PolarHBondContact N-OD2 3.03Å; D66-F68 VanDerWaalsContact OD1-CD2 3.25Å; D66-F68 WeakPolarHBondContact OD1-CD2 3.27Å; D66-F68 PolarHBondContact OD1-N 3.29Å; D66-T72 WeakPolarHBondContact CB-OG1 3.36Å; D66-F95 PolarHBondContact N-O 2.89Å; D66-I96 CarbonylContact O-C 3.59Å; D66-I96 WeakPolarHBondContact O-CA 3.44Å; D66-V97 CarbonylContact C-O 3.55Å; D66-V97 PolarHBondContact O-N 2.97Å |
| 67 | W | 96.9 | Very high | 98.3 | Very high | 119 Ų | 119 | 43.8 Ų | 43.8 | 45% | 0.451 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -89.2 | -32.6 | 172.1 | 176.7 | -101.4 | 0 | 0 | 0 | 112.2 | R69 I96 D98 E136 | W67-R69 PolarHBondContact O-N 2.94Å; W67-R69 VanDerWaalsContact O-N 3.08Å; W67-I96 WeakPolarHBondContact O-CG2 3.42Å; W67-D98 HydrophobicContact CE3-CB 3.66Å; W67-D98 HydrophobicContact CZ3-CB 3.67Å; W67-E136 PolarHBondContact NE1-OE1 3.38Å |
| 68 | F | 96.9 | Very high | 98.3 | Very high | 23 Ų | 23 | 44.3 Ų | 44.3 | 10% | 0.101 | 20% | 0.204 | C | C | . | . | trans | -75.3 | 98 | -176.6 | -69.5 | -73.3 | 0 | 0 | 0 | 112.7 | A44 R45 D66 N70 E71 T72 T135 E136 | A44-F68 HydrophobicContact CB-CB 3.88Å; R45-F68 VanDerWaalsContact CZ-CZ 3.42Å; R45-F68 VanDerWaalsContact NH1-CZ 3.28Å; D66-F68 VanDerWaalsContact OD1-CD2 3.25Å; D66-F68 WeakPolarHBondContact OD1-CD2 3.27Å; D66-F68 PolarHBondContact OD1-N 3.29Å; F68-N70 PolarHBondContact O-N 2.99Å; F68-E71 HydrophobicContact CB-CB 3.94Å; F68-E71 HydrophobicContact CB-CG 4.32Å; F68-T72 VanDerWaalsContact O-CB 3.29Å; F68-T72 WeakPolarHBondContact O-CB 3.25Å; F68-T72 PolarHBondContact O-N 2.82Å; F68-T72 PolarHBondContact O-OG1 2.82Å; F68-T135 VanDerWaalsContact CE1-O 3.27Å; F68-T135 WeakPolarHBondContact CE1-O 3.44Å; F68-T135 VanDerWaalsContact CZ-O 3.23Å; F68-T135 WeakPolarHBondContact CZ-O 3.34Å; F68-E136 HydrophobicContact CD1-CG 4.31Å; F68-E136 HydrophobicContact CE1-CG 4.07Å | ||
| 69 | R | 97.4 | Very high | 98.3 | Very high | 163 Ų | 163 | 44.3 Ų | 44.3 | 62% | 0.615 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -55.4 | -53.8 | -174 | -173.1 | -179.6 | -166.7 | 92.8 | 0.3 | 113.8 | W67 T72 I73 I96 | W67-R69 PolarHBondContact O-N 2.94Å; W67-R69 VanDerWaalsContact O-N 3.08Å; R69-T72 PolarHBondContact O-N 3.12Å; R69-I73 HydrophobicContact CG-CD1 4.04Å; R69-I73 VanDerWaalsContact O-CG1 3.31Å; R69-I73 WeakPolarHBondContact O-CG1 3.46Å; R69-I73 PolarHBondContact O-N 3.38Å; R69-I73 VanDerWaalsContact O-N 3.07Å; R69-I96 HydrophobicContact CB-CD1 4.32Å; R69-I96 HydrophobicContact CB-CG1 4.36Å; R69-I96 HydrophobicContact CG-CD1 4.4Å; R69-I96 HydrophobicContact CG-CG1 4.21Å |
| 70 | N | 97.6 | Very high | 98.4 | Very high | 103 Ų | 103 | 48 Ų | 48 | 55% | 0.551 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -69.7 | -41.4 | -171.6 | -67.5 | -23.8 | 0 | 0 | 0 | 111.4 | F68 I73 K74 | F68-N70 PolarHBondContact O-N 2.99Å; N70-I73 PolarHBondContact O-N 3.09Å; N70-K74 WeakPolarHBondContact O-CG 3.28Å; N70-K74 PolarHBondContact O-N 2.94Å |
| 71 | E | 97.8 | Very high | 98.3 | Very high | 65 Ų | 65 | 55.2 Ų | 55.2 | 30% | 0.304 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.1 | -36 | 178.8 | -68.5 | 63.9 | -142.8 | 0 | 0 | 111.4 | A44 F68 K74 T75 | A44-E71 HydrophobicContact CB-CB 3.71Å; F68-E71 HydrophobicContact CB-CB 3.94Å; F68-E71 HydrophobicContact CB-CG 4.32Å; E71-K74 PolarHBondContact O-N 3.34Å; E71-T75 PolarHBondContact O-N 3Å; E71-T75 PolarHBondContact O-OG1 3.44Å |
| 72 | T | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65 | -43.4 | 172.5 | -54.1 | 0 | 0 | 0 | 0 | 111.2 | L64 D66 F68 R69 K74 T75 Y76 A94 I96 | L64-T72 HydrophobicContact CB-CG2 4.49Å; D66-T72 WeakPolarHBondContact CB-OG1 3.36Å; F68-T72 VanDerWaalsContact O-CB 3.29Å; F68-T72 WeakPolarHBondContact O-CB 3.25Å; F68-T72 PolarHBondContact O-N 2.82Å; F68-T72 PolarHBondContact O-OG1 2.82Å; R69-T72 PolarHBondContact O-N 3.12Å; T72-K74 VanDerWaalsContact C-N 3.32Å; T72-K74 PolarHBondContact O-N 2.58Å; T72-T75 PolarHBondContact O-N 3.38Å; T72-Y76 WeakPolarHBondContact O-CB 3.41Å; T72-Y76 PolarHBondContact O-N 3.24Å; T72-A94 HydrophobicContact CG2-CB 3.83Å; T72-I96 HydrophobicContact CG2-CD1 4.01Å |
| 73 | I | 98.6 | Very high | 98.2 | Very high | 97 Ų | 97 | 54.9 Ų | 54.9 | 50% | 0.497 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62 | -41.6 | 176.3 | -69.5 | 165.2 | 0 | 0 | 0 | 110.8 | R69 N70 Y76 G77 | R69-I73 HydrophobicContact CG-CD1 4.04Å; R69-I73 VanDerWaalsContact O-CG1 3.31Å; R69-I73 WeakPolarHBondContact O-CG1 3.46Å; R69-I73 PolarHBondContact O-N 3.38Å; R69-I73 VanDerWaalsContact O-N 3.07Å; N70-I73 PolarHBondContact O-N 3.09Å; I73-Y76 WeakPolarHBondContact O-CB 3.48Å; I73-Y76 PolarHBondContact O-N 3.02Å; I73-G77 PolarHBondContact O-N 2.8Å |
| 74 | K | 98.6 | Very high | 98.1 | Very high | 129 Ų | 129 | 59.9 Ų | 59.9 | 56% | 0.561 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -60.3 | -49.1 | 174.8 | -71.2 | 171.1 | -175.6 | 172.5 | 0 | 111.3 | N70 E71 T72 Y76 G77 E78 | N70-K74 WeakPolarHBondContact O-CG 3.28Å; N70-K74 PolarHBondContact O-N 2.94Å; E71-K74 PolarHBondContact O-N 3.34Å; T72-K74 VanDerWaalsContact C-N 3.32Å; T72-K74 PolarHBondContact O-N 2.58Å; K74-Y76 VanDerWaalsContact C-N 3.35Å; K74-Y76 PolarHBondContact O-N 2.86Å; K74-G77 PolarHBondContact O-N 2.99Å; K74-G77 VanDerWaalsContact O-N 3.16Å; K74-E78 PolarHBondContact O-N 3.01Å |
| 75 | T | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.006 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 178.4 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | A43 A44 K49 A52 L64 E71 T72 G77 E78 V79 | A43-T75 WeakPolarHBondContact O-CG2 3.46Å; A44-T75 PolarHBondContact O-OG1 3.25Å; K49-T75 HydrophobicContact CB-CG2 4.46Å; K49-T75 HydrophobicContact CD-CG2 4.47Å; K49-T75 WeakPolarHBondContact CD-OG1 3.31Å; K49-T75 HydrophobicContact CG-CG2 3.88Å; A52-T75 HydrophobicContact CB-CG2 4.39Å; L64-T75 HydrophobicContact CD1-CG2 4.12Å; E71-T75 PolarHBondContact O-N 3Å; E71-T75 PolarHBondContact O-OG1 3.44Å; T72-T75 PolarHBondContact O-N 3.38Å; T75-G77 VanDerWaalsContact C-N 3.33Å; T75-G77 PolarHBondContact O-N 2.84Å; T75-E78 PolarHBondContact O-N 2.83Å; T75-V79 HydrophobicContact CG2-CG2 4.31Å; T75-V79 WeakPolarHBondContact O-CB 3.43Å; T75-V79 WeakPolarHBondContact O-CG2 3.39Å; T75-V79 PolarHBondContact O-N 3.47Å |
| 76 | Y | 98.8 | Very high | 97.7 | Very high | 83 Ų | 83 | 66.8 Ų | 66.8 | 33% | 0.325 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -56 | -46.3 | 173 | 172.2 | -85.9 | 0 | 0 | 0 | 111.7 | T72 I73 K74 V79 K80 V92 A94 | T72-Y76 WeakPolarHBondContact O-CB 3.41Å; T72-Y76 PolarHBondContact O-N 3.24Å; I73-Y76 WeakPolarHBondContact O-CB 3.48Å; I73-Y76 PolarHBondContact O-N 3.02Å; K74-Y76 VanDerWaalsContact C-N 3.35Å; K74-Y76 PolarHBondContact O-N 2.86Å; Y76-V79 PolarHBondContact O-N 3.34Å; Y76-K80 WeakPolarHBondContact O-CB 3.47Å; Y76-K80 PolarHBondContact O-N 2.97Å; Y76-V92 HydrophobicContact CD2-CB 4.49Å; Y76-V92 HydrophobicContact CD2-CG1 3.89Å; Y76-V92 HydrophobicContact CD2-CG2 3.91Å; Y76-V92 HydrophobicContact CE2-CB 4.4Å; Y76-V92 HydrophobicContact CE2-CG1 3.61Å; Y76-V92 HydrophobicContact CE2-CG2 4.27Å; Y76-V92 WeakPolarHBondContact CE2-O 3.33Å; Y76-A94 HydrophobicContact CD2-CB 3.94Å; Y76-A94 HydrophobicContact CG-CB 4.42Å |
| 77 | G | 98.6 | Very high | 97.3 | Very high | 28 Ų | 28 | 71.7 Ų | 71.7 | 29% | 0.289 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.4 | -39.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | I73 K74 T75 K81 | I73-G77 PolarHBondContact O-N 2.8Å; K74-G77 PolarHBondContact O-N 2.99Å; K74-G77 VanDerWaalsContact O-N 3.16Å; T75-G77 VanDerWaalsContact C-N 3.33Å; T75-G77 PolarHBondContact O-N 2.84Å; G77-K81 WeakPolarHBondContact O-CG 3.33Å; G77-K81 PolarHBondContact O-N 2.94Å |
| 78 | E | 98.5 | Very high | 97 | Very high | 76 Ų | 76 | 67.2 Ų | 67.2 | 36% | 0.355 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.4 | -47.7 | 174.5 | -71 | 172 | -142.8 | 0 | 0 | 111.6 | K49 I53 K74 T75 K80 K81 I82 | K49-E78 WeakPolarHBondContact CE-OE2 3.25Å; K49-E78 IonicContact NZ-OE1 3.4Å; K49-E78 PolarHBondContact NZ-OE1 3.44Å; K49-E78 IonicContact NZ-OE2 2.79Å; K49-E78 PolarHBondContact NZ-OE2 2.66Å; I53-E78 HydrophobicContact CD1-CB 3.62Å; K74-E78 PolarHBondContact O-N 3.01Å; T75-E78 PolarHBondContact O-N 2.83Å; E78-K80 VanDerWaalsContact C-N 3.32Å; E78-K80 PolarHBondContact O-N 3.34Å; E78-K81 PolarHBondContact O-N 2.92Å; E78-I82 WeakPolarHBondContact O-CG1 3.46Å; E78-I82 PolarHBondContact O-N 3.42Å |
| 79 | V | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -57.9 | -45.7 | 175.5 | 165.7 | 0 | 0 | 0 | 0 | 110.8 | A52 I53 A56 L62 L64 T75 Y76 K81 I82 Q83 V92 | A52-V79 HydrophobicContact CB-CG2 4.26Å; I53-V79 HydrophobicContact CD1-CG2 4.04Å; A56-V79 HydrophobicContact CB-CB 4.46Å; A56-V79 HydrophobicContact CB-CG1 3.95Å; A56-V79 HydrophobicContact CB-CG2 4.39Å; L62-V79 HydrophobicContact CD1-CG1 3.63Å; L62-V79 HydrophobicContact CD1-CG2 4.2Å; L64-V79 HydrophobicContact CD1-CG2 4.35Å; T75-V79 HydrophobicContact CG2-CG2 4.31Å; T75-V79 WeakPolarHBondContact O-CB 3.43Å; T75-V79 WeakPolarHBondContact O-CG2 3.39Å; T75-V79 PolarHBondContact O-N 3.47Å; Y76-V79 PolarHBondContact O-N 3.34Å; V79-K81 PolarHBondContact O-N 2.91Å; V79-I82 WeakPolarHBondContact O-CB 3.35Å; V79-I82 PolarHBondContact O-N 3.36Å; V79-I82 VanDerWaalsContact O-N 3.1Å; V79-Q83 HydrophobicContact CG1-CG 4.17Å; V79-Q83 WeakPolarHBondContact O-CG 3.45Å; V79-Q83 PolarHBondContact O-N 2.87Å; V79-V92 HydrophobicContact CB-CG2 4.45Å; V79-V92 HydrophobicContact CG1-CB 3.76Å; V79-V92 HydrophobicContact CG1-CG1 3.95Å; V79-V92 HydrophobicContact CG1-CG2 3.74Å |
| 80 | K | 98.3 | Very high | 96.7 | Very high | 76 Ų | 76 | 66.5 Ų | 66.5 | 33% | 0.33 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.9 | -44.1 | -178.2 | -175.2 | 56.5 | 178.9 | 141.9 | 0 | 111.9 | Y76 E78 I82 Q83 D84 V92 | Y76-K80 WeakPolarHBondContact O-CB 3.47Å; Y76-K80 PolarHBondContact O-N 2.97Å; E78-K80 VanDerWaalsContact C-N 3.32Å; E78-K80 PolarHBondContact O-N 3.34Å; K80-I82 VanDerWaalsContact C-N 3.26Å; K80-I82 PolarHBondContact O-N 3.43Å; K80-Q83 PolarHBondContact O-N 3.29Å; K80-D84 WeakPolarHBondContact CE-OD1 3.13Å; K80-D84 IonicContact NZ-OD1 2.73Å; K80-D84 PolarHBondContact NZ-OD1 3.26Å; K80-D84 PolarHBondContact O-N 3.17Å; K80-V92 HydrophobicContact CB-CG1 4.32Å; K80-V92 HydrophobicContact CD-CG1 4.32Å |
| 81 | K | 98.1 | Very high | 96.7 | Very high | 153 Ų | 153 | 64 Ų | 64 | 67% | 0.665 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -59.2 | -36.1 | 175.2 | -72.1 | 173.8 | -177 | -178.2 | 0 | 112.8 | G77 E78 V79 | G77-K81 WeakPolarHBondContact O-CG 3.33Å; G77-K81 PolarHBondContact O-N 2.94Å; E78-K81 PolarHBondContact O-N 2.92Å; V79-K81 PolarHBondContact O-N 2.91Å |
| 82 | I | 97.7 | Very high | 96.7 | Very high | 12 Ų | 12 | 61.2 Ų | 61.2 | 6% | 0.062 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.6 | -47.3 | 176.5 | -64.5 | 161.5 | 0 | 0 | 0 | 110.2 | I53 A56 Y57 E78 V79 K80 D84 I85 V86 | I53-I82 HydrophobicContact CD1-CD1 3.83Å; I53-I82 HydrophobicContact CG2-CD1 3.82Å; A56-I82 HydrophobicContact CB-CB 4.02Å; A56-I82 HydrophobicContact CB-CD1 4.35Å; A56-I82 HydrophobicContact CB-CG2 3.73Å; Y57-I82 HydrophobicContact CD1-CG2 3.55Å; Y57-I82 HydrophobicContact CD2-CD1 3.97Å; Y57-I82 HydrophobicContact CD2-CG1 4.43Å; Y57-I82 HydrophobicContact CD2-CG2 3.93Å; Y57-I82 HydrophobicContact CE1-CG1 4.23Å; Y57-I82 HydrophobicContact CE1-CG2 3.73Å; Y57-I82 HydrophobicContact CE2-CD1 3.49Å; Y57-I82 VanDerWaalsContact CE2-CD1 3.49Å; Y57-I82 HydrophobicContact CE2-CG1 3.84Å; Y57-I82 HydrophobicContact CE2-CG2 4.09Å; Y57-I82 HydrophobicContact CG-CG2 3.64Å; E78-I82 WeakPolarHBondContact O-CG1 3.46Å; E78-I82 PolarHBondContact O-N 3.42Å; V79-I82 WeakPolarHBondContact O-CB 3.35Å; V79-I82 PolarHBondContact O-N 3.36Å; V79-I82 VanDerWaalsContact O-N 3.1Å; K80-I82 VanDerWaalsContact C-N 3.26Å; K80-I82 PolarHBondContact O-N 3.43Å; I82-D84 PolarHBondContact O-N 3.41Å; I82-I85 WeakPolarHBondContact O-CG1 3.15Å; I82-I85 PolarHBondContact O-N 3.19Å; I82-V86 HydrophobicContact CG2-CG2 3.93Å; I82-V86 WeakPolarHBondContact O-CG2 3.29Å; I82-V86 PolarHBondContact O-N 3.1Å |
| 83 | Q | 97.5 | Very high | 96.7 | Very high | 9 Ų | 9 | 66.5 Ų | 66.5 | 4% | 0.042 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.9 | -27.8 | 179.5 | -68 | -175.9 | -38.2 | 0 | 0 | 112.8 | A56 A60 V79 K80 I85 S90 S91 V92 | A56-Q83 HydrophobicContact CB-CG 4.24Å; A60-Q83 PolarHBondContact O-NE2 3.42Å; V79-Q83 HydrophobicContact CG1-CG 4.17Å; V79-Q83 WeakPolarHBondContact O-CG 3.45Å; V79-Q83 PolarHBondContact O-N 2.87Å; K80-Q83 PolarHBondContact O-N 3.29Å; Q83-I85 VanDerWaalsContact C-N 3.27Å; Q83-I85 PolarHBondContact O-N 3.03Å; Q83-S90 VanDerWaalsContact CG-OG 3.26Å; Q83-S90 WeakPolarHBondContact CG-OG 3.26Å; Q83-S90 PolarHBondContact NE2-OG 3.28Å; Q83-S91 VanDerWaalsContact NE2-C 3.34Å; Q83-S91 PolarHBondContact NE2-O 3.44Å; Q83-S91 VanDerWaalsContact OE1-C 3.28Å; Q83-V92 VanDerWaalsContact OE1-CG1 3.23Å |
| 84 | D | 96.7 | Very high | 96.7 | Very high | 105 Ų | 105 | 63.7 Ų | 63.7 | 56% | 0.561 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -20 | 175.7 | -65.4 | -20.9 | 0 | 0 | 0 | 113.1 | K80 I82 | K80-D84 WeakPolarHBondContact CE-OD1 3.13Å; K80-D84 IonicContact NZ-OD1 2.73Å; K80-D84 PolarHBondContact NZ-OD1 3.26Å; K80-D84 PolarHBondContact O-N 3.17Å; I82-D84 PolarHBondContact O-N 3.41Å |
| 85 | I | 95.9 | Very high | 96.7 | Very high | 127 Ų | 127 | 59 Ų | 59 | 65% | 0.651 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | -13.3 | 178.5 | 65.6 | 167.6 | 0 | 0 | 0 | 113.9 | I82 Q83 | I82-I85 WeakPolarHBondContact O-CG1 3.15Å; I82-I85 PolarHBondContact O-N 3.19Å; Q83-I85 VanDerWaalsContact C-N 3.27Å; Q83-I85 PolarHBondContact O-N 3.03Å |
| 86 | V | 94.4 | Very high | 96.7 | Very high | 18 Ų | 18 | 61.7 Ų | 61.7 | 11% | 0.109 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -93.8 | 126.3 | 179.1 | 173.9 | 0 | 0 | 0 | 0 | 109.6 | Y57 I82 S88 | Y57-V86 HydrophobicContact CD1-CG2 4.3Å; I82-V86 HydrophobicContact CG2-CG2 3.93Å; I82-V86 WeakPolarHBondContact O-CG2 3.29Å; I82-V86 PolarHBondContact O-N 3.1Å; V86-S88 PolarHBondContact O-N 3.38Å |
| 87 | P | 88.4 | Confident | 96.7 | Very high | 118 Ų | 118 | 58.1 Ų | 58.1 | 77% | 0.766 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | 56.2 | -173.8 | 34.4 | -37.7 | 0 | 0 | 0 | 112.7 | ||
| 88 | S | 90.5 | Very high | 96.7 | Very high | 25 Ų | 25 | 59.1 Ų | 59.1 | 18% | 0.175 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | -7 | 178.9 | 61.8 | 0 | 0 | 0 | 0 | 114 | G59 V86 S90 | G59-S88 WeakPolarHBondContact CA-OG 3.4Å; G59-S88 PolarHBondContact O-OG 3.39Å; V86-S88 PolarHBondContact O-N 3.38Å; S88-S90 PolarHBondContact O-N 3Å; S88-S90 VanDerWaalsContact O-N 3.12Å; S88-S90 VanDerWaalsContact OG-CB 3.31Å; S88-S90 WeakPolarHBondContact OG-CB 3.46Å; S88-S90 PolarHBondContact OG-N 2.85Å; S88-S90 PolarHBondContact OG-OG 2.86Å |
| 89 | N | 91.4 | Very high | 96.7 | Very high | 161 Ų | 161 | 56 Ų | 56 | 86% | 0.861 | 30% | 0.297 | S | S | * | . | trans | 50.9 | 29.9 | -169.7 | -163.5 | 33.3 | 0 | 0 | 0 | 113.2 | ||||
| 90 | S | 97.5 | Very high | 96.7 | Very high | 10 Ų | 10 | 57.3 Ų | 57.3 | 7% | 0.07 | 31% | 0.306 | C | S | . | . | trans | -73.9 | 155.1 | -179.8 | 64 | 0 | 0 | 0 | 0 | 112.6 | G59 A60 N61 Q83 S88 | G59-S90 WeakPolarHBondContact O-CB 3.41Å; A60-S90 VanDerWaalsContact O-CB 3.25Å; A60-S90 WeakPolarHBondContact O-CB 3.46Å; N61-S90 WeakPolarHBondContact OD1-CA 3.43Å; Q83-S90 VanDerWaalsContact CG-OG 3.26Å; Q83-S90 WeakPolarHBondContact CG-OG 3.26Å; Q83-S90 PolarHBondContact NE2-OG 3.28Å; S88-S90 PolarHBondContact O-N 3Å; S88-S90 VanDerWaalsContact O-N 3.12Å; S88-S90 VanDerWaalsContact OG-CB 3.31Å; S88-S90 WeakPolarHBondContact OG-CB 3.46Å; S88-S90 PolarHBondContact OG-N 2.85Å; S88-S90 PolarHBondContact OG-OG 2.86Å | ||
| 91 | S | 97.7 | Very high | 96.7 | Very high | 49 Ų | 49 | 55.6 Ų | 55.6 | 34% | 0.343 | 30% | 0.303 | S | S | . | . | trans | -123.9 | 162.4 | -178.5 | 66.6 | 0 | 0 | 0 | 0 | 111.9 | N61 L62 Q83 | N61-S91 CarbonylContact C-O 3.59Å; N61-S91 VanDerWaalsContact CA-O 3.28Å; N61-S91 WeakPolarHBondContact CA-O 3.48Å; N61-S91 PolarHBondContact OD1-N 2.95Å; N61-S91 PolarHBondContact OD1-OG 3.47Å; L62-S91 PolarHBondContact N-O 3.36Å; Q83-S91 VanDerWaalsContact NE2-C 3.34Å; Q83-S91 PolarHBondContact NE2-O 3.44Å; Q83-S91 VanDerWaalsContact OE1-C 3.28Å | ||
| 92 | V | 98.7 | Very high | 96.7 | Very high | 8 Ų | 8 | 51.2 Ų | 51.2 | 5% | 0.048 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 141.8 | 176.3 | 59.8 | 0 | 0 | 0 | 0 | 110.6 | L62 L64 Y76 V79 K80 Q83 | L62-V92 HydrophobicContact CB-CB 4.22Å; L62-V92 HydrophobicContact CB-CG2 3.9Å; L62-V92 CarbonylContact O-C 3.51Å; L62-V92 VanDerWaalsContact O-CA 3.29Å; L62-V92 WeakPolarHBondContact O-CA 3.41Å; L64-V92 HydrophobicContact CD1-CG2 3.74Å; L64-V92 HydrophobicContact CG-CG2 3.84Å; Y76-V92 HydrophobicContact CD2-CB 4.49Å; Y76-V92 HydrophobicContact CD2-CG1 3.89Å; Y76-V92 HydrophobicContact CD2-CG2 3.91Å; Y76-V92 HydrophobicContact CE2-CB 4.4Å; Y76-V92 HydrophobicContact CE2-CG1 3.61Å; Y76-V92 HydrophobicContact CE2-CG2 4.27Å; Y76-V92 WeakPolarHBondContact CE2-O 3.33Å; V79-V92 HydrophobicContact CB-CG2 4.45Å; V79-V92 HydrophobicContact CG1-CB 3.76Å; V79-V92 HydrophobicContact CG1-CG1 3.95Å; V79-V92 HydrophobicContact CG1-CG2 3.74Å; K80-V92 HydrophobicContact CB-CG1 4.32Å; K80-V92 HydrophobicContact CD-CG1 4.32Å; Q83-V92 VanDerWaalsContact OE1-CG1 3.23Å |
| 93 | R | 98.5 | Very high | 96.7 | Very high | 111 Ų | 111 | 59.1 Ų | 59.1 | 42% | 0.419 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 149.7 | 168.2 | -63.7 | -67.3 | -174.5 | 176.3 | -0.6 | 109.5 | L62 L64 F95 Y115 F116 | L62-R93 PolarHBondContact O-N 3.35Å; L64-R93 PolarHBondContact N-O 2.83Å; R93-F95 HydrophobicContact CB-CE2 3.82Å; R93-F95 HydrophobicContact CB-CZ 4.08Å; R93-Y115 HydrophobicContact CG-CG 4.28Å; R93-F116 HydrophobicContact CB-CE2 3.93Å; R93-F116 HydrophobicContact CB-CZ 4.12Å; R93-F116 HydrophobicContact CG-CE2 3.65Å; R93-F116 HydrophobicContact CG-CZ 3.72Å |
| 94 | A | 98.7 | Very high | 96.8 | Very high | 39 Ų | 39 | 59.7 Ų | 59.7 | 32% | 0.322 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 139.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L64 T72 Y76 | L64-A94 HydrophobicContact CB-CB 4.22Å; L64-A94 CarbonylContact O-C 3.58Å; L64-A94 VanDerWaalsContact O-CA 3.29Å; L64-A94 WeakPolarHBondContact O-CA 3.32Å; T72-A94 HydrophobicContact CG2-CB 3.83Å; Y76-A94 HydrophobicContact CD2-CB 3.94Å; Y76-A94 HydrophobicContact CG-CB 4.42Å |
| 95 | F | 98.6 | Very high | 96.9 | Very high | 29 Ų | 29 | 54.9 Ų | 54.9 | 13% | 0.127 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 133 | -178.9 | -60.1 | -77.9 | 0 | 0 | 0 | 111 | I63 L64 V65 D66 R93 V97 L108 K111 Y115 | I63-F95 HydrophobicContact CG2-CD2 3.8Å; I63-F95 HydrophobicContact CG2-CE2 3.82Å; L64-F95 PolarHBondContact O-N 3.41Å; V65-F95 WeakPolarHBondContact CA-O 3.28Å; D66-F95 PolarHBondContact N-O 2.89Å; R93-F95 HydrophobicContact CB-CE2 3.82Å; R93-F95 HydrophobicContact CB-CZ 4.08Å; F95-V97 HydrophobicContact CB-CG2 3.94Å; F95-L108 HydrophobicContact CB-CD1 3.84Å; F95-L108 HydrophobicContact CD1-CD1 4.46Å; F95-L108 HydrophobicContact CD2-CD1 3.63Å; F95-L108 HydrophobicContact CE2-CD1 4.34Å; F95-L108 HydrophobicContact CG-CD1 3.71Å; F95-K111 HydrophobicContact CD1-CB 4.32Å; F95-K111 HydrophobicContact CE1-CB 3.57Å; F95-K111 HydrophobicContact CE1-CG 4.07Å; F95-K111 HydrophobicContact CZ-CB 3.9Å; F95-Y115 HydrophobicContact CE1-CD2 4.33Å; F95-Y115 HydrophobicContact CE1-CE2 4.17Å; F95-Y115 AromaticContact CZ-CD2 3.76Å; F95-Y115 HydrophobicContact CZ-CD2 3.76Å; F95-Y115 HydrophobicContact CZ-CE2 4.04Å |
| 96 | I | 98.3 | Very high | 97 | Very high | 58 Ų | 58 | 55.1 Ų | 55.1 | 30% | 0.297 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 113.4 | 173.3 | -51.2 | -50 | 0 | 0 | 0 | 109.2 | D66 W67 R69 T72 | D66-I96 CarbonylContact O-C 3.59Å; D66-I96 WeakPolarHBondContact O-CA 3.44Å; W67-I96 WeakPolarHBondContact O-CG2 3.42Å; R69-I96 HydrophobicContact CB-CD1 4.32Å; R69-I96 HydrophobicContact CB-CG1 4.36Å; R69-I96 HydrophobicContact CG-CD1 4.4Å; R69-I96 HydrophobicContact CG-CG1 4.21Å; T72-I96 HydrophobicContact CG2-CD1 4.01Å |
| 97 | V | 98.4 | Very high | 97.1 | Very high | 9 Ų | 9 | 61.7 Ų | 61.7 | 6% | 0.055 | 32% | 0.323 | C | S | . | . | trans | -143.1 | 126.7 | -169.5 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | V65 D66 F95 V99 A104 L108 | V65-V97 HydrophobicContact CG1-CB 3.63Å; V65-V97 HydrophobicContact CG1-CG1 4.25Å; V65-V97 HydrophobicContact CG1-CG2 3.84Å; D66-V97 CarbonylContact C-O 3.55Å; D66-V97 PolarHBondContact O-N 2.97Å; F95-V97 HydrophobicContact CB-CG2 3.94Å; V97-V99 PolarHBondContact O-N 3.24Å; V97-A104 HydrophobicContact CG1-CB 3.86Å; V97-L108 HydrophobicContact CG2-CB 4.24Å; V97-L108 HydrophobicContact CG2-CD1 4.34Å; V97-L108 HydrophobicContact CG2-CD2 4.38Å | ||
| 98 | D | 98.1 | Very high | 97.6 | Very high | 48 Ų | 48 | 56.2 Ų | 56.2 | 26% | 0.257 | 29% | 0.287 | S | S | . | . | trans | -75.8 | 109.6 | 158.8 | 177.4 | -1.2 | 0 | 0 | 0 | 108.4 | W67 S100 S101 | W67-D98 HydrophobicContact CE3-CB 3.66Å; W67-D98 HydrophobicContact CZ3-CB 3.67Å; D98-S100 PolarHBondContact O-N 3.39Å; D98-S100 WeakPolarHBondContact OD1-CA 3.34Å; D98-S100 VanDerWaalsContact OD1-CB 3.28Å; D98-S100 WeakPolarHBondContact OD1-CB 3.38Å; D98-S100 PolarHBondContact OD1-N 3.15Å; D98-S100 PolarHBondContact OD1-OG 2.98Å; D98-S100 PolarHBondContact OD2-OG 3.45Å; D98-S101 WeakPolarHBondContact O-CB 3.39Å; D98-S101 PolarHBondContact O-N 3.06Å | ||
| 99 | V | 98.5 | Very high | 98 | Very high | 11 Ų | 11 | 55.7 Ų | 55.7 | 7% | 0.067 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -26.1 | -179.2 | -66 | 0 | 0 | 0 | 0 | 112.6 | T41 V97 S101 Q105 A127 I169 G173 | T41-V99 HydrophobicContact CG2-CG1 4.2Å; V97-V99 PolarHBondContact O-N 3.24Å; V99-S101 VanDerWaalsContact C-N 3.25Å; V99-S101 PolarHBondContact O-N 2.94Å; V99-Q105 PolarHBondContact O-NE2 3.46Å; V99-Q105 VanDerWaalsContact O-NE2 3.12Å; V99-A127 HydrophobicContact CG1-CB 4.04Å; V99-A127 HydrophobicContact CG2-CB 3.99Å; V99-I169 HydrophobicContact CG2-CG2 4.36Å; V99-G173 WeakPolarHBondContact O-CA 3.33Å |
| 100 | S | 98.3 | Very high | 98.3 | Very high | 27 Ų | 27 | 55.5 Ų | 55.5 | 19% | 0.189 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -16.7 | 178 | 80 | 0 | 0 | 0 | 0 | 112.7 | D98 A168 K176 | D98-S100 PolarHBondContact O-N 3.39Å; D98-S100 WeakPolarHBondContact OD1-CA 3.34Å; D98-S100 VanDerWaalsContact OD1-CB 3.28Å; D98-S100 WeakPolarHBondContact OD1-CB 3.38Å; D98-S100 PolarHBondContact OD1-N 3.15Å; D98-S100 PolarHBondContact OD1-OG 2.98Å; D98-S100 PolarHBondContact OD2-OG 3.45Å; S100-A168 VanDerWaalsContact CB-O 3.3Å; S100-A168 WeakPolarHBondContact CB-O 3.43Å; S100-K176 VanDerWaalsContact O-CD 3.3Å; S100-K176 WeakPolarHBondContact O-CD 3.26Å; S100-K176 WeakPolarHBondContact O-CE 3.44Å; S100-K176 PolarHBondContact O-NZ 3.04Å |
| 101 | S | 98.5 | Very high | 98.3 | Very high | 40 Ų | 40 | 58 Ų | 58 | 28% | 0.28 | 28% | 0.281 | S | S | . | . | trans | -91.1 | 112.3 | -176.2 | 179.4 | 0 | 0 | 0 | 0 | 113.2 | D98 V99 K103 A104 Q105 | D98-S101 WeakPolarHBondContact O-CB 3.39Å; D98-S101 PolarHBondContact O-N 3.06Å; V99-S101 VanDerWaalsContact C-N 3.25Å; V99-S101 PolarHBondContact O-N 2.94Å; S101-K103 VanDerWaalsContact C-N 3.26Å; S101-K103 PolarHBondContact O-N 3.25Å; S101-A104 PolarHBondContact O-N 2.88Å; S101-A104 VanDerWaalsContact O-N 3.15Å; S101-A104 PolarHBondContact OG-N 2.97Å; S101-Q105 VanDerWaalsContact O-CG 3.27Å; S101-Q105 WeakPolarHBondContact O-CG 3.1Å; S101-Q105 PolarHBondContact O-N 3.16Å | ||
| 102 | T | 98.4 | Very high | 98.3 | Very high | 61 Ų | 61 | 55.7 Ų | 55.7 | 37% | 0.374 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -56.4 | -39.2 | 174.2 | -54 | 0 | 0 | 0 | 0 | 112.2 | Q105 K106 K176 | T102-Q105 PolarHBondContact O-N 2.92Å; T102-K106 WeakPolarHBondContact O-CG 3.19Å; T102-K106 PolarHBondContact O-N 3.37Å; T102-K176 VanDerWaalsContact OG1-CE 3.32Å; T102-K176 WeakPolarHBondContact OG1-CE 3.45Å |
| 103 | K | 98.5 | Very high | 98.3 | Very high | 179 Ų | 179 | 57.5 Ų | 57.5 | 78% | 0.778 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -65 | -42.9 | 179.1 | -177.3 | 179.6 | 177.5 | -179.6 | 0 | 111 | S101 R107 | S101-K103 VanDerWaalsContact C-N 3.26Å; S101-K103 PolarHBondContact O-N 3.25Å; K103-R107 PolarHBondContact O-N 3.19Å; K103-R107 VanDerWaalsContact O-N 3.17Å |
| 104 | A | 98.3 | Very high | 98.2 | Very high | 21 Ų | 21 | 57.5 Ų | 57.5 | 17% | 0.174 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.2 | -43.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V97 S101 K106 R107 L108 | V97-A104 HydrophobicContact CG1-CB 3.86Å; S101-A104 PolarHBondContact O-N 2.88Å; S101-A104 VanDerWaalsContact O-N 3.15Å; S101-A104 PolarHBondContact OG-N 2.97Å; A104-K106 PolarHBondContact O-N 2.95Å; A104-R107 WeakPolarHBondContact O-CB 2.95Å; A104-R107 PolarHBondContact O-N 3.19Å; A104-R107 VanDerWaalsContact O-N 3.12Å; A104-L108 PolarHBondContact O-N 2.84Å |
| 105 | Q | 98.5 | Very high | 98.2 | Very high | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.019 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 176.9 | -68.5 | -80.6 | 27 | 0 | 0 | 112.6 | V99 S101 T102 R107 L108 A109 K176 S177 V180 | V99-Q105 PolarHBondContact O-NE2 3.46Å; V99-Q105 VanDerWaalsContact O-NE2 3.12Å; S101-Q105 VanDerWaalsContact O-CG 3.27Å; S101-Q105 WeakPolarHBondContact O-CG 3.1Å; S101-Q105 PolarHBondContact O-N 3.16Å; T102-Q105 PolarHBondContact O-N 2.92Å; Q105-R107 VanDerWaalsContact C-N 3.3Å; Q105-R107 PolarHBondContact O-N 3.19Å; Q105-L108 WeakPolarHBondContact O-CB 3.41Å; Q105-L108 PolarHBondContact O-N 2.96Å; Q105-A109 PolarHBondContact O-N 2.89Å; Q105-K176 HydrophobicContact CG-CB 3.87Å; Q105-S177 PolarHBondContact NE2-OG 3.16Å; Q105-V180 HydrophobicContact CB-CG2 3.94Å |
| 106 | K | 97.9 | Very high | 98.1 | Very high | 131 Ų | 131 | 58.9 Ų | 58.9 | 57% | 0.57 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -62.2 | -35.8 | 173.5 | -74.6 | -177.8 | 178.6 | -174.2 | 0 | 112.8 | T102 A104 R110 | T102-K106 WeakPolarHBondContact O-CG 3.19Å; T102-K106 PolarHBondContact O-N 3.37Å; A104-K106 PolarHBondContact O-N 2.95Å; K106-R110 PolarHBondContact O-N 3.46Å; K106-R110 PolarHBondContact O-NH1 3.36Å |
| 107 | R | 98.3 | Very high | 98.1 | Very high | 156 Ų | 156 | 60.4 Ų | 60.4 | 59% | 0.589 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -70.4 | -40.9 | 175.7 | 176.2 | 179.1 | 162.7 | -135.4 | -1.4 | 111.1 | K103 A104 Q105 R110 K111 | K103-R107 PolarHBondContact O-N 3.19Å; K103-R107 VanDerWaalsContact O-N 3.17Å; A104-R107 WeakPolarHBondContact O-CB 2.95Å; A104-R107 PolarHBondContact O-N 3.19Å; A104-R107 VanDerWaalsContact O-N 3.12Å; Q105-R107 VanDerWaalsContact C-N 3.3Å; Q105-R107 PolarHBondContact O-N 3.19Å; R107-R110 PolarHBondContact O-N 3.46Å; R107-K111 PolarHBondContact O-N 3Å; R107-K111 VanDerWaalsContact O-N 3.14Å |
| 108 | L | 98.5 | Very high | 98 | Very high | 4 Ų | 4 | 65.3 Ų | 65.3 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56.5 | -51.9 | 172.8 | 175.8 | 64.6 | 0 | 0 | 0 | 110.2 | L39 V65 F95 V97 A104 Q105 R110 K111 V112 | L39-L108 HydrophobicContact CD1-CD2 4.46Å; V65-L108 HydrophobicContact CG1-CD2 3.99Å; V65-L108 HydrophobicContact CG2-CD1 3.9Å; V65-L108 HydrophobicContact CG2-CD2 3.91Å; F95-L108 HydrophobicContact CB-CD1 3.84Å; F95-L108 HydrophobicContact CD1-CD1 4.46Å; F95-L108 HydrophobicContact CD2-CD1 3.63Å; F95-L108 HydrophobicContact CE2-CD1 4.34Å; F95-L108 HydrophobicContact CG-CD1 3.71Å; V97-L108 HydrophobicContact CG2-CB 4.24Å; V97-L108 HydrophobicContact CG2-CD1 4.34Å; V97-L108 HydrophobicContact CG2-CD2 4.38Å; A104-L108 PolarHBondContact O-N 2.84Å; Q105-L108 WeakPolarHBondContact O-CB 3.41Å; Q105-L108 PolarHBondContact O-N 2.96Å; L108-R110 VanDerWaalsContact C-N 3.31Å; L108-R110 PolarHBondContact O-N 3.39Å; L108-K111 CarbonylContact O-C 3.54Å; L108-K111 WeakPolarHBondContact O-CA 3.23Å; L108-K111 PolarHBondContact O-N 2.88Å; L108-V112 HydrophobicContact CD1-CG2 3.87Å; L108-V112 HydrophobicContact CG-CG2 4.13Å; L108-V112 WeakPolarHBondContact O-CG2 3.29Å; L108-V112 PolarHBondContact O-N 3.5Å |
| 109 | A | 97.9 | Very high | 97.9 | Very high | 13 Ų | 13 | 63.1 Ų | 63.1 | 11% | 0.107 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -53.1 | -44.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q105 V112 N113 V180 | Q105-A109 PolarHBondContact O-N 2.89Å; A109-V112 PolarHBondContact O-N 3.16Å; A109-N113 PolarHBondContact O-N 2.94Å; A109-N113 VanDerWaalsContact O-N 3.08Å; A109-N113 PolarHBondContact O-ND2 2.96Å; A109-V180 HydrophobicContact CB-CG1 3.67Å; A109-V180 HydrophobicContact CB-CG2 4.17Å |
| 110 | R | 98.1 | Very high | 97.9 | Very high | 158 Ų | 158 | 63 Ų | 63 | 60% | 0.596 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -62.3 | -43.5 | 176 | -70.4 | -166.7 | -56.9 | -81.3 | 5.6 | 112.2 | K106 R107 L108 N113 E114 | K106-R110 PolarHBondContact O-N 3.46Å; K106-R110 PolarHBondContact O-NH1 3.36Å; R107-R110 PolarHBondContact O-N 3.46Å; L108-R110 VanDerWaalsContact C-N 3.31Å; L108-R110 PolarHBondContact O-N 3.39Å; R110-N113 PolarHBondContact O-N 3.19Å; R110-E114 WeakPolarHBondContact O-CB 3.34Å; R110-E114 PolarHBondContact O-N 3.03Å; R110-E114 VanDerWaalsContact O-N 3.08Å |
| 111 | K | 98.3 | Very high | 98 | Very high | 62 Ų | 62 | 63.6 Ų | 63.6 | 27% | 0.27 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69.7 | -37.5 | 179.3 | -73.5 | -52.4 | -164.3 | 177.9 | 0 | 112.8 | F95 R107 L108 E114 Y115 | F95-K111 HydrophobicContact CD1-CB 4.32Å; F95-K111 HydrophobicContact CE1-CB 3.57Å; F95-K111 HydrophobicContact CE1-CG 4.07Å; F95-K111 HydrophobicContact CZ-CB 3.9Å; R107-K111 PolarHBondContact O-N 3Å; R107-K111 VanDerWaalsContact O-N 3.14Å; L108-K111 CarbonylContact O-C 3.54Å; L108-K111 WeakPolarHBondContact O-CA 3.23Å; L108-K111 PolarHBondContact O-N 2.88Å; K111-E114 VanDerWaalsContact CD-OE2 3.25Å; K111-E114 WeakPolarHBondContact CD-OE2 3.48Å; K111-E114 IonicContact NZ-OE1 3.1Å; K111-E114 PolarHBondContact NZ-OE1 3.28Å; K111-E114 IonicContact NZ-OE2 2.66Å; K111-E114 PolarHBondContact NZ-OE2 2.89Å; K111-E114 PolarHBondContact O-N 2.8Å; K111-Y115 HydrophobicContact CB-CD2 4.39Å; K111-Y115 HydrophobicContact CB-CE2 4.4Å; K111-Y115 HydrophobicContact CD-CE2 4.01Å; K111-Y115 WeakPolarHBondContact O-CD2 3.24Å; K111-Y115 PolarHBondContact O-N 2.85Å |
| 112 | V | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.1 | -49.7 | 173.4 | 173.5 | 0 | 0 | 0 | 0 | 110.1 | L39 I63 L108 A109 E114 Y115 F116 I120 I184 | L39-V112 HydrophobicContact CD1-CG2 4.19Å; I63-V112 HydrophobicContact CD1-CB 4.33Å; I63-V112 HydrophobicContact CD1-CG1 3.55Å; I63-V112 HydrophobicContact CD1-CG2 3.96Å; I63-V112 HydrophobicContact CG2-CG2 4.03Å; L108-V112 HydrophobicContact CD1-CG2 3.87Å; L108-V112 HydrophobicContact CG-CG2 4.13Å; L108-V112 WeakPolarHBondContact O-CG2 3.29Å; L108-V112 PolarHBondContact O-N 3.5Å; A109-V112 PolarHBondContact O-N 3.16Å; V112-E114 PolarHBondContact O-N 3.04Å; V112-Y115 PolarHBondContact O-N 3.09Å; V112-F116 WeakPolarHBondContact O-CA 3.42Å; V112-F116 WeakPolarHBondContact O-CB 3.5Å; V112-F116 PolarHBondContact O-N 3.16Å; V112-I120 HydrophobicContact CG1-CG2 3.95Å; V112-I184 HydrophobicContact CB-CD1 4Å; V112-I184 HydrophobicContact CG1-CD1 3.7Å |
| 113 | N | 97.3 | Very high | 98 | Very high | 47 Ų | 47 | 59 Ų | 59 | 25% | 0.251 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.9 | -28.9 | 176.9 | -74.5 | -47.2 | 0 | 0 | 0 | 113.9 | A109 R110 | A109-N113 PolarHBondContact O-N 2.94Å; A109-N113 VanDerWaalsContact O-N 3.08Å; A109-N113 PolarHBondContact O-ND2 2.96Å; R110-N113 PolarHBondContact O-N 3.19Å |
| 114 | E | 97.7 | Very high | 98 | Very high | 110 Ų | 110 | 50.4 Ų | 50.4 | 51% | 0.514 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -75.2 | -44 | 177.5 | -179 | -173.9 | 141.9 | 0 | 0 | 112.1 | R110 K111 V112 | R110-E114 WeakPolarHBondContact O-CB 3.34Å; R110-E114 PolarHBondContact O-N 3.03Å; R110-E114 VanDerWaalsContact O-N 3.08Å; K111-E114 VanDerWaalsContact CD-OE2 3.25Å; K111-E114 WeakPolarHBondContact CD-OE2 3.48Å; K111-E114 IonicContact NZ-OE1 3.1Å; K111-E114 PolarHBondContact NZ-OE1 3.28Å; K111-E114 IonicContact NZ-OE2 2.66Å; K111-E114 PolarHBondContact NZ-OE2 2.89Å; K111-E114 PolarHBondContact O-N 2.8Å; V112-E114 PolarHBondContact O-N 3.04Å |
| 115 | Y | 97.7 | Very high | 98.1 | Very high | 87 Ų | 87 | 49.5 Ų | 49.5 | 34% | 0.341 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -89.8 | -23.7 | -175.8 | -69.1 | -64.7 | 0 | 0 | 0 | 114.1 | R93 F95 K111 V112 | R93-Y115 HydrophobicContact CG-CG 4.28Å; F95-Y115 HydrophobicContact CE1-CD2 4.33Å; F95-Y115 HydrophobicContact CE1-CE2 4.17Å; F95-Y115 AromaticContact CZ-CD2 3.76Å; F95-Y115 HydrophobicContact CZ-CD2 3.76Å; F95-Y115 HydrophobicContact CZ-CE2 4.04Å; K111-Y115 HydrophobicContact CB-CD2 4.39Å; K111-Y115 HydrophobicContact CB-CE2 4.4Å; K111-Y115 HydrophobicContact CD-CE2 4.01Å; K111-Y115 WeakPolarHBondContact O-CD2 3.24Å; K111-Y115 PolarHBondContact O-N 2.85Å; V112-Y115 PolarHBondContact O-N 3.09Å |
| 116 | F | 97.3 | Very high | 98.1 | Very high | 11 Ų | 11 | 50.4 Ų | 50.4 | 5% | 0.048 | 24% | 0.238 | C | C | . | . | trans | -129.8 | 73.3 | -178.4 | -57.9 | -86.6 | 0 | 0 | 0 | 108.5 | T37 N61 I63 R93 V112 D118 G119 | T37-F116 HydrophobicContact CG2-CB 4.35Å; T37-F116 HydrophobicContact CG2-CD1 3.62Å; T37-F116 HydrophobicContact CG2-CE1 4.09Å; T37-F116 HydrophobicContact CG2-CG 4Å; N61-F116 HydrophobicContact CB-CE1 4.11Å; I63-F116 HydrophobicContact CD1-CD2 3.57Å; I63-F116 HydrophobicContact CD1-CE2 3.81Å; I63-F116 HydrophobicContact CD1-CG 4.06Å; I63-F116 HydrophobicContact CD1-CZ 4.46Å; I63-F116 HydrophobicContact CG1-CD2 3.81Å; I63-F116 HydrophobicContact CG1-CE1 4.46Å; I63-F116 HydrophobicContact CG1-CE2 3.47Å; I63-F116 VanDerWaalsContact CG1-CE2 3.47Å; I63-F116 HydrophobicContact CG1-CG 4.43Å; I63-F116 HydrophobicContact CG1-CZ 3.83Å; R93-F116 HydrophobicContact CB-CE2 3.93Å; R93-F116 HydrophobicContact CB-CZ 4.12Å; R93-F116 HydrophobicContact CG-CE2 3.65Å; R93-F116 HydrophobicContact CG-CZ 3.72Å; V112-F116 WeakPolarHBondContact O-CA 3.42Å; V112-F116 WeakPolarHBondContact O-CB 3.5Å; V112-F116 PolarHBondContact O-N 3.16Å; F116-D118 PolarHBondContact O-N 3.49Å; F116-D118 VanDerWaalsContact O-N 3.12Å; F116-G119 PolarHBondContact O-N 3.22Å | ||
| 117 | P | 96.6 | Very high | 98.1 | Very high | 90 Ų | 90 | 45.3 Ų | 45.3 | 58% | 0.584 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -13.8 | -174.8 | 28 | -36.4 | 0 | 0 | 0 | 113.5 | G119 H188 | P117-G119 VanDerWaalsContact C-N 3.34Å; P117-H188 PolarHBondContact O-CE1 3.11Å |
| 118 | D | 96.5 | Very high | 98 | Very high | 112 Ų | 112 | 39 Ų | 39 | 60% | 0.599 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -4.6 | 174.9 | -75.3 | -55.9 | 0 | 0 | 0 | 114.4 | F116 K190 | F116-D118 PolarHBondContact O-N 3.49Å; F116-D118 VanDerWaalsContact O-N 3.12Å; D118-K190 PolarHBondContact O-NZ 2.96Å; D118-K190 IonicContact OD1-NZ 3.16Å; D118-K190 PolarHBondContact OD1-NZ 3.24Å |
| 119 | G | 97.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | trans | 94.2 | -157.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | F116 P117 H188 | F116-G119 PolarHBondContact O-N 3.22Å; P117-G119 VanDerWaalsContact C-N 3.34Å; G119-H188 WeakPolarHBondContact CA-CD2 3.29Å; G119-H188 WeakPolarHBondContact CA-NE2 3.25Å; G119-H188 PolarHBondContact N-NE2 3.21Å | ||
| 120 | I | 98.7 | Very high | 97.8 | Very high | 8 Ų | 8 | 39.8 Ų | 39.8 | 4% | 0.041 | 21% | 0.206 | C | C | . | . | trans | -123.8 | 142.4 | 173.1 | 64.8 | 175.2 | 0 | 0 | 0 | 109 | T37 L39 I63 V112 E181 I184 M185 | T37-I120 HydrophobicContact CG2-CG2 4.1Å; L39-I120 HydrophobicContact CB-CD1 4.38Å; I63-I120 HydrophobicContact CD1-CG2 3.75Å; V112-I120 HydrophobicContact CG1-CG2 3.95Å; I120-E181 HydrophobicContact CD1-CB 3.93Å; I120-E181 HydrophobicContact CD1-CG 3.99Å; I120-I184 HydrophobicContact CG1-CB 4.38Å; I120-I184 HydrophobicContact CG1-CG2 3.97Å; I120-I184 HydrophobicContact CG2-CG2 4.42Å; I120-M185 HydrophobicContact CD1-CE 4.04Å; I120-M185 HydrophobicContact CD1-CG 4.46Å; I120-M185 HydrophobicContact CG1-CE 3.93Å; I120-M185 HydrophobicContact CG1-CG 3.93Å | ||
| 121 | D | 98.8 | Very high | 97.6 | Very high | 41 Ų | 41 | 32.4 Ų | 32.4 | 22% | 0.219 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -95.4 | -21 | 175.5 | -61.1 | -99 | 0 | 0 | 0 | 111.8 | K36 T37 G192 S193 | K36-D121 WeakPolarHBondContact CA-OD2 3.36Å; K36-D121 HydrophobicContact CB-CB 4.17Å; K36-D121 HydrophobicContact CD-CB 3.78Å; K36-D121 VanDerWaalsContact CD-CG 3.4Å; K36-D121 VanDerWaalsContact CD-OD1 3.22Å; K36-D121 WeakPolarHBondContact CD-OD1 3.39Å; K36-D121 IonicContact NZ-OD1 3.67Å; K36-D121 PolarHBondContact NZ-OD1 3.25Å; T37-D121 PolarHBondContact N-OD2 2.78Å; T37-D121 PolarHBondContact O-N 2.92Å; D121-G192 CarbonylContact O-C 3.58Å; D121-G192 WeakPolarHBondContact O-CA 3.29Å; D121-S193 PolarHBondContact O-N 3.04Å |
| 122 | G | 98.8 | Very high | 97.6 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 168.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115 | T37 V38 L39 S193 | T37-G122 PolarHBondContact O-N 3.31Å; V38-G122 WeakPolarHBondContact CA-O 3.48Å; L39-G122 PolarHBondContact N-O 3.42Å; G122-S193 CarbonylContact C-O 3.59Å; G122-S193 WeakPolarHBondContact CA-O 3.36Å |
| 123 | A | 99 | Very high | 97.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 148.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L39 E181 S193 I194 V195 | L39-A123 HydrophobicContact CB-CB 4.43Å; L39-A123 CarbonylContact O-C 3.48Å; L39-A123 WeakPolarHBondContact O-CA 3.43Å; A123-E181 HydrophobicContact CB-CB 4.35Å; A123-E181 HydrophobicContact CB-CG 3.69Å; A123-S193 PolarHBondContact N-O 2.94Å; A123-I194 HydrophobicContact CB-CG1 4.14Å; A123-I194 HydrophobicContact CB-CG2 4.22Å; A123-I194 CarbonylContact O-C 3.45Å; A123-I194 WeakPolarHBondContact O-CA 3.31Å; A123-V195 PolarHBondContact O-N 3.3Å |
| 124 | V | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 113 | 173 | -175.7 | 0 | 0 | 0 | 0 | 108.9 | V38 L39 I40 T41 A126 V195 I197 I297 L301 | V38-V124 HydrophobicContact CG1-CG2 4.37Å; L39-V124 PolarHBondContact O-N 3.22Å; I40-V124 WeakPolarHBondContact CA-O 3.32Å; I40-V124 HydrophobicContact CG1-CB 4.26Å; I40-V124 HydrophobicContact CG1-CG2 4.4Å; I40-V124 HydrophobicContact CG2-CB 4.22Å; T41-V124 PolarHBondContact N-O 2.86Å; V124-A126 HydrophobicContact CG1-CB 4.32Å; V124-A126 PolarHBondContact O-N 3.45Å; V124-V195 WeakPolarHBondContact CA-O 3.39Å; V124-I197 HydrophobicContact CG1-CD1 4.32Å; V124-I197 HydrophobicContact CG1-CG1 4.35Å; V124-I297 HydrophobicContact CG1-CG2 4.05Å; V124-I297 HydrophobicContact CG2-CG2 3.68Å; V124-L301 HydrophobicContact CG2-CD1 3.69Å; V124-L301 HydrophobicContact CG2-CD2 4.41Å; V124-L301 HydrophobicContact CG2-CG 4.44Å |
| 125 | N | 98.9 | Very high | 97 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.011 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 85.3 | 178.8 | -74.3 | -52 | 0 | 0 | 0 | 111 | T41 M174 S177 E181 V195 N196 I197 | T41-N125 WeakPolarHBondContact OG1-CA 3.5Å; T41-N125 PolarHBondContact OG1-OD1 2.89Å; N125-M174 HydrophobicContact CB-CE 4.01Å; N125-M174 HydrophobicContact CB-CG 4.24Å; N125-S177 WeakPolarHBondContact OD1-CB 3.4Å; N125-E181 PolarHBondContact ND2-OE2 3.17Å; N125-E181 PolarHBondContact OD1-OE1 2.82Å; N125-V195 PolarHBondContact N-O 2.93Å; N125-N196 WeakPolarHBondContact CB-OD1 3.45Å; N125-N196 PolarHBondContact ND2-OD1 3.39Å; N125-I197 WeakPolarHBondContact O-CB 3.33Å; N125-I197 WeakPolarHBondContact O-CG1 3.3Å; N125-I197 PolarHBondContact O-N 3.07Å |
| 126 | A | 98.5 | Very high | 96.5 | Very high | 23 Ų | 23 | 28.2 Ų | 28.2 | 19% | 0.19 | 17% | 0.17 | C | C | . | . | trans | -106.8 | -7.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115 | T41 V124 G128 I197 | T41-A126 WeakPolarHBondContact O-CA 3.39Å; T41-A126 VanDerWaalsContact O-CB 3.27Å; T41-A126 WeakPolarHBondContact O-CB 3.48Å; T41-A126 PolarHBondContact O-N 3.46Å; T41-A126 VanDerWaalsContact O-N 3.12Å; T41-A126 PolarHBondContact OG1-N 2.97Å; V124-A126 HydrophobicContact CG1-CB 4.32Å; V124-A126 PolarHBondContact O-N 3.45Å; A126-G128 PolarHBondContact O-N 3.46Å; A126-I197 HydrophobicContact CB-CB 4.35Å; A126-I197 HydrophobicContact CB-CG1 3.6Å | ||
| 127 | A | 97.8 | Very high | 96.3 | Very high | 23 Ų | 23 | 30.2 Ų | 30.2 | 19% | 0.19 | 18% | 0.18 | C | C | . | . | trans | -61.9 | 131.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | T41 V99 | T41-A127 PolarHBondContact O-N 3.44Å; V99-A127 HydrophobicContact CG1-CB 4.04Å; V99-A127 HydrophobicContact CG2-CB 3.99Å | ||
| 128 | G | 97 | Very high | 96 | Very high | 25 Ų | 25 | 27.9 Ų | 27.9 | 26% | 0.258 | 17% | 0.166 | S | C | . | . | trans | -177.8 | 162.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A126 N170 | A126-G128 PolarHBondContact O-N 3.46Å; G128-N170 WeakPolarHBondContact CA-OD1 3.37Å | ||
| 129 | V | 96.7 | Very high | 95.8 | Very high | 10 Ų | 10 | 24.5 Ų | 24.5 | 6% | 0.061 | 15% | 0.148 | C | C | . | . | trans | -136.2 | 161.6 | -178.6 | -64.1 | 0 | 0 | 0 | 0 | 110.5 | T135 V166 I169 N170 Y212 | V129-T135 HydrophobicContact CG1-CG2 3.66Å; V129-V166 HydrophobicContact CG2-CG2 4.29Å; V129-I169 HydrophobicContact CG1-CD1 4.18Å; V129-I169 HydrophobicContact CG1-CG2 4.28Å; V129-I169 HydrophobicContact CG2-CB 4.04Å; V129-I169 HydrophobicContact CG2-CD1 3.95Å; V129-I169 HydrophobicContact CG2-CG2 4.08Å; V129-N170 PolarHBondContact N-OD1 2.76Å; V129-N170 PolarHBondContact O-ND2 3.11Å; V129-N170 PolarHBondContact O-OD1 2.83Å; V129-Y212 VanDerWaalsContact O-CD2 3.3Å; V129-Y212 WeakPolarHBondContact O-CD2 3.34Å; V129-Y212 WeakPolarHBondContact O-CE2 3.15Å | ||
| 130 | M | 94.8 | Very high | 95.6 | Very high | 22 Ų | 22 | 31.1 Ų | 31.1 | 11% | 0.108 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -107.8 | -20.1 | 175.4 | -73.3 | -177.7 | 171.2 | 0 | 0 | 113.3 | M152 Y162 M209 Y212 L249 T253 | M130-M152 VanDerWaalsContact O-CG 3.27Å; M130-M152 WeakPolarHBondContact O-CG 3.45Å; M130-Y162 WeakPolarHBondContact O-CE2 3.44Å; M130-M209 HydrophobicContact CB-CE 4.19Å; M130-M209 HydrophobicContact CG-CE 4.09Å; M130-M209 HydrophobicContact SD-CE 4Å; M130-Y212 HydrophobicContact CB-CD2 4.34Å; M130-Y212 HydrophobicContact CE-CE1 4.16Å; M130-Y212 HydrophobicContact CE-CE2 4.2Å; M130-Y212 HydrophobicContact CG-CD2 3.77Å; M130-Y212 HydrophobicContact CG-CE2 3.58Å; M130-Y212 HydrophobicContact CG-CG 4.39Å; M130-L249 HydrophobicContact CE-CD2 4.04Å; M130-L249 HydrophobicContact CE-CG 4.31Å; M130-L249 HydrophobicContact CG-CD1 4.24Å; M130-L249 HydrophobicContact CG-CD2 4.28Å; M130-L249 HydrophobicContact CG-CG 4.34Å; M130-L249 HydrophobicContact SD-CD1 4.48Å; M130-L249 HydrophobicContact SD-CD2 4.37Å; M130-L249 HydrophobicContact SD-CG 4.14Å; M130-T253 HydrophobicContact SD-CG2 3.62Å; M130-T253 PolarHBondContact SD-OG1 2.95Å |
| 131 | D | 95.4 | Very high | 95.4 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -138.9 | 176.4 | -177.4 | 50.1 | 84.7 | 0 | 0 | 0 | 110.6 | I133 L150 M152 R252 L256 | D131-I133 WeakPolarHBondContact OD1-CB 3.47Å; D131-I133 PolarHBondContact OD1-N 3.19Å; D131-L150 WeakPolarHBondContact CB-O 3.47Å; D131-M152 HydrophobicContact CB-SD 3.66Å; D131-R252 VanDerWaalsContact CG-NH1 3.26Å; D131-R252 IonicContact OD1-CZ 3.56Å; D131-R252 IonicContact OD1-NH1 3.44Å; D131-R252 PolarHBondContact OD1-NH1 3.04Å; D131-R252 VanDerWaalsContact OD1-NH1 3.1Å; D131-R252 IonicContact OD1-NH2 3.47Å; D131-R252 PolarHBondContact OD1-NH2 3.33Å; D131-R252 IonicContact OD2-CZ 2.82Å; D131-R252 IonicContact OD2-NH1 2.94Å; D131-R252 PolarHBondContact OD2-NH1 2.91Å; D131-R252 IonicContact OD2-NH2 2.72Å; D131-L256 HydrophobicContact CB-CD2 4.36Å |
| 132 | A | 97.2 | Very high | 95.1 | Very high | 8 Ų | 8 | 34.1 Ų | 34.1 | 7% | 0.066 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -101.3 | 2.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L150 K165 | A132-L150 HydrophobicContact CB-CB 4.1Å; A132-L150 HydrophobicContact CB-CD2 3.91Å; A132-L150 PolarHBondContact N-O 3.39Å; A132-K165 HydrophobicContact CB-CB 3.47Å; A132-K165 VanDerWaalsContact CB-CB 3.47Å; A132-K165 HydrophobicContact CB-CG 3.69Å |
| 133 | I | 96.3 | Very high | 94.9 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -64 | 139.1 | 176.8 | -64.4 | 170.8 | 0 | 0 | 0 | 108.5 | D131 T135 M137 I142 L150 V151 L256 | D131-I133 WeakPolarHBondContact OD1-CB 3.47Å; D131-I133 PolarHBondContact OD1-N 3.19Å; I133-T135 PolarHBondContact O-N 2.96Å; I133-M137 HydrophobicContact CG2-CB 4.21Å; I133-M137 HydrophobicContact CG2-SD 4Å; I133-I142 HydrophobicContact CD1-CD1 4Å; I133-I142 HydrophobicContact CD1-CG1 4.26Å; I133-I142 HydrophobicContact CD1-CG2 3.71Å; I133-I142 HydrophobicContact CG2-CD1 3.95Å; I133-I142 HydrophobicContact CG2-CG1 3.93Å; I133-L150 HydrophobicContact CG1-CB 3.67Å; I133-L150 HydrophobicContact CG1-CD1 4.49Å; I133-V151 HydrophobicContact CD1-CG1 3.68Å; I133-V151 HydrophobicContact CG1-CG1 4.41Å; I133-L256 HydrophobicContact CD1-CD1 4.01Å; I133-L256 HydrophobicContact CD1-CD2 4.05Å |
| 134 | P | 93.6 | Very high | 94.7 | Very high | 63 Ų | 63 | 37.7 Ų | 37.7 | 41% | 0.409 | 21% | 0.213 | S | C | . | . | trans | -46.4 | 127.6 | 174.1 | -29.5 | 36.1 | 0 | 0 | 0 | 112 | E136 M137 | P134-E136 PolarHBondContact O-N 2.81Å; P134-M137 WeakPolarHBondContact O-CB 3.45Å; P134-M137 PolarHBondContact O-N 3.28Å | ||
| 135 | T | 90.5 | Very high | 94.5 | Very high | 30 Ų | 30 | 42.1 Ų | 42.1 | 18% | 0.184 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -17.3 | -164.8 | 55.9 | 0 | 0 | 0 | 0 | 112.9 | F68 V129 I133 | F68-T135 VanDerWaalsContact CE1-O 3.27Å; F68-T135 WeakPolarHBondContact CE1-O 3.44Å; F68-T135 VanDerWaalsContact CZ-O 3.23Å; F68-T135 WeakPolarHBondContact CZ-O 3.34Å; V129-T135 HydrophobicContact CG1-CG2 3.66Å; I133-T135 PolarHBondContact O-N 2.96Å |
| 136 | E | 88.6 | Confident | 94.4 | Very high | 114 Ų | 114 | 49 Ų | 49 | 53% | 0.533 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -14.4 | 172.6 | -53.1 | 94.8 | 146.1 | 0 | 0 | 114 | W67 F68 P134 S138 | W67-E136 PolarHBondContact NE1-OE1 3.38Å; F68-E136 HydrophobicContact CD1-CG 4.31Å; F68-E136 HydrophobicContact CE1-CG 4.07Å; P134-E136 PolarHBondContact O-N 2.81Å; E136-S138 PolarHBondContact O-N 3.01Å |
| 137 | M | 92.1 | Very high | 94.2 | Very high | 53 Ų | 53 | 48.9 Ų | 48.9 | 26% | 0.261 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -69.3 | 127 | 178.4 | -168.4 | 177.2 | -74.2 | 0 | 0 | 109.9 | I133 P134 D141 I142 | I133-M137 HydrophobicContact CG2-CB 4.21Å; I133-M137 HydrophobicContact CG2-SD 4Å; P134-M137 WeakPolarHBondContact O-CB 3.45Å; P134-M137 PolarHBondContact O-N 3.28Å; M137-D141 HydrophobicContact CG-CB 3.89Å; M137-I142 HydrophobicContact CG-CG1 3.89Å; M137-I142 HydrophobicContact SD-CB 4.43Å; M137-I142 HydrophobicContact SD-CG1 3.64Å |
| 138 | S | 91.2 | Very high | 94 | Very high | 41 Ų | 41 | 53.1 Ų | 53.1 | 29% | 0.287 | 28% | 0.275 | S | S | . | . | trans | -65.6 | 158.2 | 175.6 | 79.2 | 0 | 0 | 0 | 0 | 110.5 | E136 E140 D141 I142 | E136-S138 PolarHBondContact O-N 3.01Å; S138-E140 WeakPolarHBondContact CB-OE2 3.37Å; S138-E140 PolarHBondContact O-N 2.83Å; S138-E140 PolarHBondContact OG-OE2 2.93Å; S138-D141 PolarHBondContact O-N 2.73Å; S138-D141 PolarHBondContact OG-N 3.28Å; S138-D141 PolarHBondContact OG-OD2 3.45Å; S138-I142 WeakPolarHBondContact O-CG1 3.48Å; S138-I142 PolarHBondContact O-N 3.23Å | ||
| 139 | L | 91.4 | Very high | 94 | Very high | 41 Ų | 41 | 57.9 Ų | 57.9 | 22% | 0.215 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -33.5 | 178.8 | 176.2 | 63.8 | 0 | 0 | 0 | 111.2 | I142 L256 K259 | L139-I142 HydrophobicContact CD1-CD1 4.48Å; L139-I142 PolarHBondContact O-N 2.97Å; L139-L256 HydrophobicContact CD1-CB 4.46Å; L139-K259 HydrophobicContact CD1-CD 4.26Å; L139-K259 WeakPolarHBondContact O-CE 3.4Å; L139-K259 PolarHBondContact O-NZ 2.9Å |
| 140 | E | 92.7 | Very high | 94 | Very high | 141 Ų | 141 | 59.5 Ų | 59.5 | 66% | 0.659 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -41 | -178.6 | -64.4 | 68.4 | -150.3 | 0 | 0 | 111.3 | S138 I142 K259 | S138-E140 WeakPolarHBondContact CB-OE2 3.37Å; S138-E140 PolarHBondContact O-N 2.83Å; S138-E140 PolarHBondContact OG-OE2 2.93Å; E140-I142 VanDerWaalsContact C-N 3.31Å; E140-I142 PolarHBondContact O-N 2.89Å; E140-K259 PolarHBondContact O-NZ 3.17Å |
| 141 | D | 94.3 | Very high | 94 | Very high | 109 Ų | 109 | 58.6 Ų | 58.6 | 58% | 0.583 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -11.5 | -177.8 | -60.3 | -40.6 | 0 | 0 | 0 | 114.2 | M137 S138 D143 R146 | M137-D141 HydrophobicContact CG-CB 3.89Å; S138-D141 PolarHBondContact O-N 2.73Å; S138-D141 PolarHBondContact OG-N 3.28Å; S138-D141 PolarHBondContact OG-OD2 3.45Å; D141-D143 PolarHBondContact O-N 2.84Å; D141-R146 PolarHBondContact O-NH2 3.02Å |
| 142 | I | 94 | Very high | 93.9 | Very high | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.015 | 29% | 0.291 | C | S | . | . | trans | -73.8 | 121.7 | 177.4 | -66.7 | 166.6 | 0 | 0 | 0 | 109.7 | I133 M137 S138 L139 E140 V144 L256 K259 | I133-I142 HydrophobicContact CD1-CD1 4Å; I133-I142 HydrophobicContact CD1-CG1 4.26Å; I133-I142 HydrophobicContact CD1-CG2 3.71Å; I133-I142 HydrophobicContact CG2-CD1 3.95Å; I133-I142 HydrophobicContact CG2-CG1 3.93Å; M137-I142 HydrophobicContact CG-CG1 3.89Å; M137-I142 HydrophobicContact SD-CB 4.43Å; M137-I142 HydrophobicContact SD-CG1 3.64Å; S138-I142 WeakPolarHBondContact O-CG1 3.48Å; S138-I142 PolarHBondContact O-N 3.23Å; L139-I142 HydrophobicContact CD1-CD1 4.48Å; L139-I142 PolarHBondContact O-N 2.97Å; E140-I142 VanDerWaalsContact C-N 3.31Å; E140-I142 PolarHBondContact O-N 2.89Å; I142-V144 HydrophobicContact CG2-CG1 4.04Å; I142-L256 HydrophobicContact CG2-CD1 3.84Å; I142-K259 PolarHBondContact O-NZ 3.49Å | ||
| 143 | D | 94.9 | Very high | 93.7 | Very high | 69 Ų | 69 | 58.7 Ų | 58.7 | 37% | 0.369 | 29% | 0.293 | S | S | . | . | trans | -105.1 | 105.7 | 166.9 | 178.3 | -9.8 | 0 | 0 | 0 | 108.3 | D141 N145 R146 D147 | D141-D143 PolarHBondContact O-N 2.84Å; D143-N145 VanDerWaalsContact C-N 3.25Å; D143-N145 PolarHBondContact O-N 3.42Å; D143-N145 PolarHBondContact OD1-N 2.99Å; D143-R146 HydrophobicContact CB-CB 3.98Å; D143-R146 PolarHBondContact O-N 3.16Å; D143-R146 PolarHBondContact OD1-N 3.39Å; D143-D147 VanDerWaalsContact O-CB 3.26Å; D143-D147 WeakPolarHBondContact O-CB 3.29Å; D143-D147 VanDerWaalsContact O-CG 3.31Å; D143-D147 PolarHBondContact O-N 3.41Å | ||
| 144 | V | 94.6 | Very high | 93.5 | Very high | 8 Ų | 8 | 60.8 Ų | 60.8 | 5% | 0.048 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -22.2 | -175.2 | -64.5 | 0 | 0 | 0 | 0 | 113.7 | I142 E148 L256 K259 M260 A263 L265 | I142-V144 HydrophobicContact CG2-CG1 4.04Å; V144-E148 WeakPolarHBondContact O-CA 2.98Å; V144-E148 PolarHBondContact O-N 3.28Å; V144-L256 HydrophobicContact CG1-CD1 3.59Å; V144-K259 HydrophobicContact CG1-CB 3.77Å; V144-K259 HydrophobicContact CG2-CB 4.32Å; V144-M260 HydrophobicContact CB-CG 4.34Å; V144-M260 HydrophobicContact CG1-CG 4.04Å; V144-A263 HydrophobicContact CG2-CB 3.65Å; V144-L265 HydrophobicContact CB-CD1 3.9Å; V144-L265 HydrophobicContact CG2-CD1 3.85Å; V144-L265 VanDerWaalsContact O-CD1 3.23Å; V144-L265 WeakPolarHBondContact O-CD1 3.42Å |
| 145 | N | 94.3 | Very high | 93.6 | Very high | 94 Ų | 94 | 64.4 Ų | 64.4 | 50% | 0.503 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -43.3 | 176.5 | -66.7 | -56.3 | 0 | 0 | 0 | 110.5 | D143 D147 | D143-N145 VanDerWaalsContact C-N 3.25Å; D143-N145 PolarHBondContact O-N 3.42Å; D143-N145 PolarHBondContact OD1-N 2.99Å; N145-D147 VanDerWaalsContact C-N 3.35Å |
| 146 | R | 95.7 | Very high | 93.8 | Very high | 147 Ų | 147 | 70.3 Ų | 70.3 | 56% | 0.555 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -42 | 173.7 | -177.7 | -168.2 | 66.5 | -138.7 | -2.3 | 111.4 | D141 D143 | D141-R146 PolarHBondContact O-NH2 3.02Å; D143-R146 HydrophobicContact CB-CB 3.98Å; D143-R146 PolarHBondContact O-N 3.16Å; D143-R146 PolarHBondContact OD1-N 3.39Å |
| 147 | D | 94.5 | Very high | 94.1 | Very high | 20 Ų | 20 | 70.3 Ų | 70.3 | 11% | 0.107 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 22.3 | -172.6 | -53.5 | -34.7 | 0 | 0 | 0 | 112.2 | D143 N145 K149 L150 | D143-D147 VanDerWaalsContact O-CB 3.26Å; D143-D147 WeakPolarHBondContact O-CB 3.29Å; D143-D147 VanDerWaalsContact O-CG 3.31Å; D143-D147 PolarHBondContact O-N 3.41Å; N145-D147 VanDerWaalsContact C-N 3.35Å; D147-K149 PolarHBondContact O-N 3.12Å; D147-K149 VanDerWaalsContact O-N 3.14Å; D147-L150 HydrophobicContact CB-CD1 4.33Å; D147-L150 WeakPolarHBondContact O-CA 3.37Å; D147-L150 WeakPolarHBondContact O-CB 3.49Å; D147-L150 PolarHBondContact O-N 2.78Å |
| 148 | E | 94.6 | Very high | 94.2 | Very high | 111 Ų | 111 | 69.1 Ų | 69.1 | 52% | 0.519 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -53.4 | -39.1 | -174.9 | -175.6 | -174.4 | 178.5 | 0 | 0 | 112 | V144 L150 V151 L265 | V144-E148 WeakPolarHBondContact O-CA 2.98Å; V144-E148 PolarHBondContact O-N 3.28Å; E148-L150 PolarHBondContact O-N 3.25Å; E148-L150 VanDerWaalsContact O-N 3.08Å; E148-V151 WeakPolarHBondContact O-CG2 3.38Å; E148-V151 PolarHBondContact O-N 3.06Å; E148-L265 HydrophobicContact CG-CD1 4.38Å; E148-L265 HydrophobicContact CG-CD2 4.21Å |
| 149 | K | 96.5 | Very high | 94.6 | Very high | 126 Ų | 126 | 68.2 Ų | 68.2 | 55% | 0.548 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -68.9 | -3.2 | 177.1 | -60.9 | -167.3 | 178.1 | -170.4 | 0 | 114.4 | D147 S159 E161 Y162 | D147-K149 PolarHBondContact O-N 3.12Å; D147-K149 VanDerWaalsContact O-N 3.14Å; K149-S159 VanDerWaalsContact C-OG 3.3Å; K149-S159 PolarHBondContact O-OG 3.1Å; K149-E161 WeakPolarHBondContact CD-OE1 3.12Å; K149-E161 IonicContact NZ-OE1 3.46Å; K149-E161 PolarHBondContact NZ-OE1 2.59Å; K149-Y162 PolarHBondContact O-N 2.94Å |
| 150 | L | 96.8 | Very high | 94.9 | Very high | 43 Ų | 43 | 71.8 Ų | 71.8 | 23% | 0.225 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -111.6 | -10.4 | -178.2 | -55.5 | -179.7 | 0 | 0 | 0 | 112.6 | D131 A132 I133 D147 E148 E161 | D131-L150 WeakPolarHBondContact CB-O 3.47Å; A132-L150 HydrophobicContact CB-CB 4.1Å; A132-L150 HydrophobicContact CB-CD2 3.91Å; A132-L150 PolarHBondContact N-O 3.39Å; I133-L150 HydrophobicContact CG1-CB 3.67Å; I133-L150 HydrophobicContact CG1-CD1 4.49Å; D147-L150 HydrophobicContact CB-CD1 4.33Å; D147-L150 WeakPolarHBondContact O-CA 3.37Å; D147-L150 WeakPolarHBondContact O-CB 3.49Å; D147-L150 PolarHBondContact O-N 2.78Å; E148-L150 PolarHBondContact O-N 3.25Å; E148-L150 VanDerWaalsContact O-N 3.08Å; L150-E161 HydrophobicContact CD2-CB 4Å |
| 151 | V | 95.3 | Very high | 95.2 | Very high | 4 Ų | 4 | 68.9 Ų | 68.9 | 2% | 0.024 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -93.4 | 167.4 | -177 | -60.3 | 0 | 0 | 0 | 0 | 112.9 | I133 E148 L256 M260 | I133-V151 HydrophobicContact CD1-CG1 3.68Å; I133-V151 HydrophobicContact CG1-CG1 4.41Å; E148-V151 WeakPolarHBondContact O-CG2 3.38Å; E148-V151 PolarHBondContact O-N 3.06Å; V151-L256 HydrophobicContact CG1-CD1 3.95Å; V151-L256 HydrophobicContact CG1-CD2 4.13Å; V151-L256 HydrophobicContact CG1-CG 4.35Å; V151-M260 HydrophobicContact CB-CE 3.97Å; V151-M260 HydrophobicContact CB-SD 3.85Å; V151-M260 HydrophobicContact CG1-SD 4.43Å; V151-M260 HydrophobicContact CG2-CE 3.5Å; V151-M260 VanDerWaalsContact CG2-CE 3.5Å; V151-M260 HydrophobicContact CG2-SD 3.98Å |
| 152 | M | 92.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | trans | -77.7 | 122.5 | -179.4 | -49.1 | 81.5 | 65.5 | 0 | 0 | 112.4 | M130 D131 Y162 G208 M209 T253 L256 Y257 M260 R266 | M130-M152 VanDerWaalsContact O-CG 3.27Å; M130-M152 WeakPolarHBondContact O-CG 3.45Å; D131-M152 HydrophobicContact CB-SD 3.66Å; M152-Y162 HydrophobicContact CB-CE2 4.31Å; M152-Y162 HydrophobicContact CG-CE2 3.88Å; M152-G208 CarbonylContact C-O 3.55Å; M152-G208 VanDerWaalsContact CB-O 3.29Å; M152-G208 WeakPolarHBondContact CB-O 3.5Å; M152-M209 HydrophobicContact CB-CG 4.33Å; M152-M209 HydrophobicContact CG-CG 4.43Å; M152-T253 HydrophobicContact CE-CG2 3.8Å; M152-L256 HydrophobicContact CE-CD2 4.13Å; M152-L256 HydrophobicContact SD-CD2 3.91Å; M152-Y257 HydrophobicContact CE-CD1 3.92Å; M152-Y257 HydrophobicContact CE-CD2 4.36Å; M152-Y257 HydrophobicContact CE-CE1 3.27Å; M152-Y257 HydrophobicContact CE-CE2 3.84Å; M152-Y257 HydrophobicContact CE-CG 4.4Å; M152-Y257 WeakPolarHBondContact CE-OH 3.29Å; M152-M260 WeakPolarHBondContact O-CE 3.38Å; M152-R266 PolarHBondContact O-NH1 3.29Å | ||
| 153 | A | 92.8 | Very high | 95.6 | Very high | 13 Ų | 13 | 68.6 Ų | 68.6 | 11% | 0.107 | 34% | 0.335 | C | S | . | . | trans | -131.1 | 162.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q157 G208 P210 | A153-Q157 HydrophobicContact CB-CB 3.93Å; A153-G208 CarbonylContact O-C 3.6Å; A153-P210 WeakPolarHBondContact O-CD 3.36Å; A153-P210 WeakPolarHBondContact O-CG 3.45Å | ||
| 154 | P | 92.6 | Very high | 95.8 | Very high | 47 Ų | 47 | 71.4 Ų | 71.4 | 31% | 0.305 | 35% | 0.346 | S | S | . | . | trans | -56.8 | 156.4 | 167.3 | -22.5 | 34.1 | 0 | 0 | 0 | 112.3 | H156 Q157 A158 | P154-H156 VanDerWaalsContact C-N 3.33Å; P154-H156 PolarHBondContact O-N 3.37Å; P154-H156 VanDerWaalsContact O-N 3.13Å; P154-Q157 CarbonylContact O-C 3.51Å; P154-Q157 WeakPolarHBondContact O-CA 3.26Å; P154-Q157 PolarHBondContact O-N 3.12Å; P154-A158 PolarHBondContact O-N 2.91Å | ||
| 155 | I | 95.4 | Very high | 95.9 | Very high | 139 Ų | 139 | 75.6 Ų | 75.6 | 71% | 0.713 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | -46.2 | -170.1 | -68.2 | 173.1 | 0 | 0 | 0 | 113.9 | Q157 A158 P210 | I155-Q157 PolarHBondContact O-N 3.45Å; I155-A158 PolarHBondContact O-N 3.36Å; I155-P210 HydrophobicContact CD1-CB 4.33Å; I155-P210 HydrophobicContact CG1-CB 3.59Å; I155-P210 HydrophobicContact CG1-CG 3.99Å |
| 156 | H | 94.9 | Very high | 96.1 | Very high | 154 Ų | 154 | 71.1 Ų | 71.1 | 71% | 0.713 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -8.8 | -179 | 71.4 | -64.7 | 0 | 0 | 0 | 115.2 | P154 | P154-H156 VanDerWaalsContact C-N 3.33Å; P154-H156 PolarHBondContact O-N 3.37Å; P154-H156 VanDerWaalsContact O-N 3.13Å |
| 157 | Q | 94.3 | Very high | 96.3 | Very high | 114 Ų | 114 | 66.2 Ų | 66.2 | 53% | 0.533 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120 | -14.1 | 178.8 | -70.1 | 171.6 | -14.6 | 0 | 0 | 112.3 | A153 P154 I155 S159 | A153-Q157 HydrophobicContact CB-CB 3.93Å; P154-Q157 CarbonylContact O-C 3.51Å; P154-Q157 WeakPolarHBondContact O-CA 3.26Å; P154-Q157 PolarHBondContact O-N 3.12Å; I155-Q157 PolarHBondContact O-N 3.45Å; Q157-S159 PolarHBondContact O-N 3.09Å |
| 158 | A | 95.8 | Very high | 96.5 | Very high | 27 Ų | 27 | 67.1 Ų | 67.1 | 22% | 0.223 | 33% | 0.334 | C | S | . | . | trans | -66 | 128.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | P154 I155 Y162 P210 | P154-A158 PolarHBondContact O-N 2.91Å; I155-A158 PolarHBondContact O-N 3.36Å; A158-Y162 HydrophobicContact CB-CD1 4.07Å; A158-Y162 HydrophobicContact CB-CE1 4.42Å; A158-P210 HydrophobicContact CB-CG 3.97Å | ||
| 159 | S | 97.9 | Very high | 96.7 | Very high | 22 Ų | 22 | 62.8 Ų | 62.8 | 15% | 0.154 | 31% | 0.314 | C | S | . | . | trans | -79.9 | 160.5 | 177.8 | 63.2 | 0 | 0 | 0 | 0 | 112 | K149 Q157 E161 Y162 W163 | K149-S159 VanDerWaalsContact C-OG 3.3Å; K149-S159 PolarHBondContact O-OG 3.1Å; Q157-S159 PolarHBondContact O-N 3.09Å; S159-E161 VanDerWaalsContact C-N 3.32Å; S159-E161 WeakPolarHBondContact CB-OE2 3.4Å; S159-Y162 PolarHBondContact O-N 3.36Å; S159-Y162 VanDerWaalsContact OG-CB 3.23Å; S159-Y162 WeakPolarHBondContact OG-CB 3.19Å; S159-Y162 PolarHBondContact OG-N 3.41Å; S159-Y162 VanDerWaalsContact OG-N 3.12Å; S159-W163 PolarHBondContact O-N 2.81Å; S159-W163 VanDerWaalsContact O-N 3.12Å | ||
| 160 | D | 98.6 | Very high | 96.8 | Very high | 117 Ų | 117 | 56.8 Ų | 56.8 | 63% | 0.626 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -64.9 | -38.2 | 171.6 | -67.3 | -29.8 | 0 | 0 | 0 | 110.9 | Y162 W163 E164 | D160-Y162 VanDerWaalsContact C-N 3.33Å; D160-Y162 PolarHBondContact O-N 3.21Å; D160-W163 PolarHBondContact O-N 3.26Å; D160-W163 VanDerWaalsContact O-N 3.16Å; D160-E164 WeakPolarHBondContact O-CB 3.5Å; D160-E164 VanDerWaalsContact O-CG 3.28Å; D160-E164 WeakPolarHBondContact O-CG 3.43Å; D160-E164 PolarHBondContact O-N 3.09Å |
| 161 | E | 98.4 | Very high | 96.9 | Very high | 80 Ų | 80 | 56 Ų | 56 | 37% | 0.374 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.1 | -40.4 | 179.5 | -61 | 90.7 | 155.2 | 0 | 0 | 112.1 | K149 L150 S159 K165 | K149-E161 WeakPolarHBondContact CD-OE1 3.12Å; K149-E161 IonicContact NZ-OE1 3.46Å; K149-E161 PolarHBondContact NZ-OE1 2.59Å; L150-E161 HydrophobicContact CD2-CB 4Å; S159-E161 VanDerWaalsContact C-N 3.32Å; S159-E161 WeakPolarHBondContact CB-OE2 3.4Å; E161-K165 VanDerWaalsContact O-CB 3.29Å; E161-K165 WeakPolarHBondContact O-CB 3.4Å; E161-K165 PolarHBondContact O-N 2.89Å |
| 162 | Y | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.5 | -52 | 171.9 | 164.5 | -116.1 | 0 | 0 | 0 | 111 | M130 K149 M152 A158 S159 D160 V166 P210 A211 | M130-Y162 WeakPolarHBondContact O-CE2 3.44Å; K149-Y162 PolarHBondContact O-N 2.94Å; M152-Y162 HydrophobicContact CB-CE2 4.31Å; M152-Y162 HydrophobicContact CG-CE2 3.88Å; A158-Y162 HydrophobicContact CB-CD1 4.07Å; A158-Y162 HydrophobicContact CB-CE1 4.42Å; S159-Y162 PolarHBondContact O-N 3.36Å; S159-Y162 VanDerWaalsContact OG-CB 3.23Å; S159-Y162 WeakPolarHBondContact OG-CB 3.19Å; S159-Y162 PolarHBondContact OG-N 3.41Å; S159-Y162 VanDerWaalsContact OG-N 3.12Å; D160-Y162 VanDerWaalsContact C-N 3.33Å; D160-Y162 PolarHBondContact O-N 3.21Å; Y162-V166 HydrophobicContact CD2-CG2 3.91Å; Y162-V166 HydrophobicContact CE2-CG2 3.64Å; Y162-V166 WeakPolarHBondContact O-CG2 3.49Å; Y162-V166 PolarHBondContact O-N 2.94Å; Y162-P210 HydrophobicContact CE1-CG 4.15Å; Y162-A211 HydrophobicContact CD1-CB 4.23Å; Y162-A211 HydrophobicContact CE1-CB 3.61Å; Y162-A211 HydrophobicContact CE2-CB 4.36Å |
| 163 | W | 98.7 | Very high | 97.3 | Very high | 105 Ų | 105 | 56.6 Ų | 56.6 | 40% | 0.398 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.6 | -55.4 | -176.9 | 174.6 | -94.8 | 0 | 0 | 0 | 112.1 | S159 D160 K165 V166 M167 A211 A214 | S159-W163 PolarHBondContact O-N 2.81Å; S159-W163 VanDerWaalsContact O-N 3.12Å; D160-W163 PolarHBondContact O-N 3.26Å; D160-W163 VanDerWaalsContact O-N 3.16Å; W163-K165 PolarHBondContact O-N 2.89Å; W163-V166 PolarHBondContact O-N 3Å; W163-M167 HydrophobicContact CD2-CG 4.14Å; W163-M167 HydrophobicContact CG-CG 4.46Å; W163-M167 HydrophobicContact CZ2-CE 4.4Å; W163-M167 HydrophobicContact CZ2-CG 4.14Å; W163-M167 HydrophobicContact CZ2-SD 4.39Å; W163-M167 WeakPolarHBondContact O-CB 3.29Å; W163-M167 VanDerWaalsContact O-CG 3.24Å; W163-M167 WeakPolarHBondContact O-CG 3.16Å; W163-M167 PolarHBondContact O-N 3.36Å; W163-A211 HydrophobicContact CD2-CB 4.29Å; W163-A211 HydrophobicContact CE3-CB 3.64Å; W163-A211 HydrophobicContact CZ3-CB 4.21Å; W163-A214 HydrophobicContact CH2-CB 3.76Å; W163-A214 HydrophobicContact CZ3-CB 4.04Å |
| 164 | E | 98.6 | Very high | 97.6 | Very high | 128 Ų | 128 | 56.4 Ų | 56.4 | 60% | 0.598 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -60.8 | -44.3 | -174.3 | -72 | -178 | 170 | 0 | 0 | 111.7 | D160 M167 A168 | D160-E164 WeakPolarHBondContact O-CB 3.5Å; D160-E164 VanDerWaalsContact O-CG 3.28Å; D160-E164 WeakPolarHBondContact O-CG 3.43Å; D160-E164 PolarHBondContact O-N 3.09Å; E164-M167 PolarHBondContact O-N 2.83Å; E164-A168 WeakPolarHBondContact O-CB 3.39Å; E164-A168 PolarHBondContact O-N 3.07Å |
| 165 | K | 98.5 | Very high | 97.9 | Very high | 96 Ų | 96 | 58.6 Ų | 58.6 | 42% | 0.417 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66 | -46.1 | -178 | -172.9 | 65 | 165.5 | -175.6 | 0 | 112 | A132 E161 W163 A168 I169 | A132-K165 HydrophobicContact CB-CB 3.47Å; A132-K165 VanDerWaalsContact CB-CB 3.47Å; A132-K165 HydrophobicContact CB-CG 3.69Å; E161-K165 VanDerWaalsContact O-CB 3.29Å; E161-K165 WeakPolarHBondContact O-CB 3.4Å; E161-K165 PolarHBondContact O-N 2.89Å; W163-K165 PolarHBondContact O-N 2.89Å; K165-A168 PolarHBondContact O-N 3.38Å; K165-I169 HydrophobicContact CD-CD1 4.02Å; K165-I169 HydrophobicContact CG-CD1 4.2Å; K165-I169 WeakPolarHBondContact O-CG1 3.17Å; K165-I169 PolarHBondContact O-N 2.97Å; K165-I169 VanDerWaalsContact O-N 3.13Å |
| 166 | V | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 179.1 | 173.2 | 0 | 0 | 0 | 0 | 110.4 | V129 Y162 W163 I169 N170 A211 | V129-V166 HydrophobicContact CG2-CG2 4.29Å; Y162-V166 HydrophobicContact CD2-CG2 3.91Å; Y162-V166 HydrophobicContact CE2-CG2 3.64Å; Y162-V166 WeakPolarHBondContact O-CG2 3.49Å; Y162-V166 PolarHBondContact O-N 2.94Å; W163-V166 PolarHBondContact O-N 3Å; V166-I169 PolarHBondContact O-N 3.11Å; V166-N170 VanDerWaalsContact O-CB 3.28Å; V166-N170 WeakPolarHBondContact O-CB 3.39Å; V166-N170 PolarHBondContact O-N 3.2Å; V166-A211 HydrophobicContact CB-CB 3.84Å; V166-A211 HydrophobicContact CG1-CB 3.88Å; V166-A211 HydrophobicContact CG2-CB 4.42Å |
| 167 | M | 98.8 | Very high | 98.3 | Very high | 44 Ų | 44 | 46.5 Ų | 46.5 | 22% | 0.217 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.7 | -43 | 177.6 | -68.5 | -59.8 | -72 | 0 | 0 | 112 | W163 E164 I169 I171 G172 A214 | W163-M167 HydrophobicContact CD2-CG 4.14Å; W163-M167 HydrophobicContact CG-CG 4.46Å; W163-M167 HydrophobicContact CZ2-CE 4.4Å; W163-M167 HydrophobicContact CZ2-CG 4.14Å; W163-M167 HydrophobicContact CZ2-SD 4.39Å; W163-M167 WeakPolarHBondContact O-CB 3.29Å; W163-M167 VanDerWaalsContact O-CG 3.24Å; W163-M167 WeakPolarHBondContact O-CG 3.16Å; W163-M167 PolarHBondContact O-N 3.36Å; E164-M167 PolarHBondContact O-N 2.83Å; M167-I169 VanDerWaalsContact C-N 3.3Å; M167-I169 PolarHBondContact O-N 2.91Å; M167-I171 HydrophobicContact CE-CG2 3.72Å; M167-I171 VanDerWaalsContact O-CG2 3.25Å; M167-I171 WeakPolarHBondContact O-CG2 3.44Å; M167-I171 PolarHBondContact O-N 2.99Å; M167-I171 HydrophobicContact SD-CG2 4.29Å; M167-G172 PolarHBondContact O-N 2.86Å; M167-A214 HydrophobicContact SD-CB 4.35Å |
| 168 | A | 98.6 | Very high | 98.5 | Very high | 40 Ų | 40 | 41.3 Ų | 41.3 | 33% | 0.331 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.3 | -36.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S100 E164 K165 G172 G173 | S100-A168 VanDerWaalsContact CB-O 3.3Å; S100-A168 WeakPolarHBondContact CB-O 3.43Å; E164-A168 WeakPolarHBondContact O-CB 3.39Å; E164-A168 PolarHBondContact O-N 3.07Å; K165-A168 PolarHBondContact O-N 3.38Å; A168-G172 CarbonylContact O-C 3.47Å; A168-G172 VanDerWaalsContact O-CA 3.3Å; A168-G172 WeakPolarHBondContact O-CA 3.37Å; A168-G173 PolarHBondContact O-N 2.86Å |
| 169 | I | 98.5 | Very high | 98.6 | Very high | 19 Ų | 19 | 45 Ų | 45 | 10% | 0.097 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -84.8 | -56.4 | -180 | -65.8 | 169.8 | 0 | 0 | 0 | 111.1 | V99 V129 K165 V166 M167 G173 | V99-I169 HydrophobicContact CG2-CG2 4.36Å; V129-I169 HydrophobicContact CG1-CD1 4.18Å; V129-I169 HydrophobicContact CG1-CG2 4.28Å; V129-I169 HydrophobicContact CG2-CB 4.04Å; V129-I169 HydrophobicContact CG2-CD1 3.95Å; V129-I169 HydrophobicContact CG2-CG2 4.08Å; K165-I169 HydrophobicContact CD-CD1 4.02Å; K165-I169 HydrophobicContact CG-CD1 4.2Å; K165-I169 WeakPolarHBondContact O-CG1 3.17Å; K165-I169 PolarHBondContact O-N 2.97Å; K165-I169 VanDerWaalsContact O-N 3.13Å; V166-I169 PolarHBondContact O-N 3.11Å; M167-I169 VanDerWaalsContact C-N 3.3Å; M167-I169 PolarHBondContact O-N 2.91Å; I169-G173 WeakPolarHBondContact O-CA 3.38Å; I169-G173 PolarHBondContact O-N 3.37Å |
| 170 | N | 98.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.1 | -48.7 | -166.9 | -73 | 1.6 | 0 | 0 | 0 | 112.8 | G128 V129 V166 M174 S215 | G128-N170 WeakPolarHBondContact CA-OD1 3.37Å; V129-N170 PolarHBondContact N-OD1 2.76Å; V129-N170 PolarHBondContact O-ND2 3.11Å; V129-N170 PolarHBondContact O-OD1 2.83Å; V166-N170 VanDerWaalsContact O-CB 3.28Å; V166-N170 WeakPolarHBondContact O-CB 3.39Å; V166-N170 PolarHBondContact O-N 3.2Å; N170-M174 WeakPolarHBondContact O-CB 3.13Å; N170-S215 WeakPolarHBondContact CB-OG 3.41Å; N170-S215 PolarHBondContact ND2-OG 3.08Å |
| 171 | I | 98.7 | Very high | 98.6 | Very high | 26 Ų | 26 | 38.6 Ų | 38.6 | 13% | 0.133 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -40.3 | -179.2 | -170.2 | 65.6 | 0 | 0 | 0 | 111.5 | M167 G173 M174 F175 A218 V219 L222 | M167-I171 HydrophobicContact CE-CG2 3.72Å; M167-I171 VanDerWaalsContact O-CG2 3.25Å; M167-I171 WeakPolarHBondContact O-CG2 3.44Å; M167-I171 PolarHBondContact O-N 2.99Å; M167-I171 HydrophobicContact SD-CG2 4.29Å; I171-G173 VanDerWaalsContact C-N 3.28Å; I171-G173 PolarHBondContact O-N 2.84Å; I171-M174 PolarHBondContact O-N 3.14Å; I171-F175 VanDerWaalsContact O-CB 3.31Å; I171-F175 WeakPolarHBondContact O-CB 3.47Å; I171-F175 PolarHBondContact O-N 2.89Å; I171-A218 HydrophobicContact CB-CB 4.28Å; I171-A218 HydrophobicContact CD1-CB 3.75Å; I171-A218 HydrophobicContact CG1-CB 3.66Å; I171-V219 HydrophobicContact CD1-CG2 4.43Å; I171-L222 HydrophobicContact CD1-CB 4.17Å; I171-L222 HydrophobicContact CD1-CD2 3.67Å |
| 172 | G | 98.8 | Very high | 98.7 | Very high | 17 Ų | 17 | 35.2 Ų | 35.2 | 18% | 0.175 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.1 | -33.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | M167 A168 K176 | M167-G172 PolarHBondContact O-N 2.86Å; A168-G172 CarbonylContact O-C 3.47Å; A168-G172 VanDerWaalsContact O-CA 3.3Å; A168-G172 WeakPolarHBondContact O-CA 3.37Å; G172-K176 VanDerWaalsContact O-CG 3.29Å; G172-K176 WeakPolarHBondContact O-CG 3.28Å; G172-K176 PolarHBondContact O-NZ 2.73Å |
| 173 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -75.7 | -47.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | V99 A168 I169 I171 F175 K176 S177 | V99-G173 WeakPolarHBondContact O-CA 3.33Å; A168-G173 PolarHBondContact O-N 2.86Å; I169-G173 WeakPolarHBondContact O-CA 3.38Å; I169-G173 PolarHBondContact O-N 3.37Å; I171-G173 VanDerWaalsContact C-N 3.28Å; I171-G173 PolarHBondContact O-N 2.84Å; G173-F175 VanDerWaalsContact C-N 3.34Å; G173-F175 PolarHBondContact O-N 3.36Å; G173-K176 PolarHBondContact O-N 2.81Å; G173-S177 PolarHBondContact O-N 2.88Å; G173-S177 PolarHBondContact O-OG 3.38Å |
| 174 | M | 98.8 | Very high | 98.7 | Very high | 9 Ų | 9 | 35.9 Ų | 35.9 | 4% | 0.044 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -56.6 | -45.5 | 176.4 | 179.9 | 176.9 | -71 | 0 | 0 | 112.3 | N125 N170 I171 K176 S177 L178 N196 V219 L222 | N125-M174 HydrophobicContact CB-CE 4.01Å; N125-M174 HydrophobicContact CB-CG 4.24Å; N170-M174 WeakPolarHBondContact O-CB 3.13Å; I171-M174 PolarHBondContact O-N 3.14Å; M174-K176 VanDerWaalsContact C-N 3.26Å; M174-K176 PolarHBondContact O-N 3.19Å; M174-S177 PolarHBondContact O-N 2.89Å; M174-L178 HydrophobicContact CG-CD1 3.98Å; M174-L178 HydrophobicContact CG-CG 4.34Å; M174-L178 WeakPolarHBondContact O-CB 3.46Å; M174-L178 WeakPolarHBondContact O-CG 3.28Å; M174-L178 PolarHBondContact O-N 3.38Å; M174-N196 HydrophobicContact CE-CB 3.77Å; M174-N196 HydrophobicContact SD-CB 3.79Å; M174-V219 HydrophobicContact CE-CG1 3.97Å; M174-V219 HydrophobicContact CE-CG2 3.77Å; M174-V219 HydrophobicContact SD-CB 4.26Å; M174-V219 HydrophobicContact SD-CG1 3.91Å; M174-V219 HydrophobicContact SD-CG2 3.8Å; M174-L222 HydrophobicContact CG-CD2 4.42Å |
| 175 | F | 98.9 | Very high | 98.7 | Very high | 92 Ų | 92 | 29.9 Ų | 29.9 | 40% | 0.404 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -56.7 | -40.2 | 175.3 | 169.6 | -112.2 | 0 | 0 | 0 | 112.8 | I171 G173 R179 L222 | I171-F175 VanDerWaalsContact O-CB 3.31Å; I171-F175 WeakPolarHBondContact O-CB 3.47Å; I171-F175 PolarHBondContact O-N 2.89Å; G173-F175 VanDerWaalsContact C-N 3.34Å; G173-F175 PolarHBondContact O-N 3.36Å; F175-R179 WeakPolarHBondContact O-CB 3.5Å; F175-R179 PolarHBondContact O-N 2.91Å; F175-L222 HydrophobicContact CB-CD2 4.01Å; F175-L222 HydrophobicContact CD2-CD1 4.37Å |
| 176 | K | 98.8 | Very high | 98.7 | Very high | 37 Ų | 37 | 28 Ų | 28 | 16% | 0.161 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -74.4 | -34.5 | 178.4 | -65.4 | 177.2 | -167.4 | 87.3 | 0 | 112.2 | S100 T102 Q105 G172 G173 M174 R179 V180 | S100-K176 VanDerWaalsContact O-CD 3.3Å; S100-K176 WeakPolarHBondContact O-CD 3.26Å; S100-K176 WeakPolarHBondContact O-CE 3.44Å; S100-K176 PolarHBondContact O-NZ 3.04Å; T102-K176 VanDerWaalsContact OG1-CE 3.32Å; T102-K176 WeakPolarHBondContact OG1-CE 3.45Å; Q105-K176 HydrophobicContact CG-CB 3.87Å; G172-K176 VanDerWaalsContact O-CG 3.29Å; G172-K176 WeakPolarHBondContact O-CG 3.28Å; G172-K176 PolarHBondContact O-NZ 2.73Å; G173-K176 PolarHBondContact O-N 2.81Å; M174-K176 VanDerWaalsContact C-N 3.26Å; M174-K176 PolarHBondContact O-N 3.19Å; K176-R179 PolarHBondContact O-N 2.79Å; K176-V180 PolarHBondContact O-N 3.08Å |
| 177 | S | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.014 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.5 | -52.2 | 173 | -56.9 | 0 | 0 | 0 | 0 | 110.6 | Q105 N125 G173 M174 R179 V180 E181 | Q105-S177 PolarHBondContact NE2-OG 3.16Å; N125-S177 WeakPolarHBondContact OD1-CB 3.4Å; G173-S177 PolarHBondContact O-N 2.88Å; G173-S177 PolarHBondContact O-OG 3.38Å; M174-S177 PolarHBondContact O-N 2.89Å; S177-R179 VanDerWaalsContact C-N 3.25Å; S177-R179 PolarHBondContact O-N 2.97Å; S177-V180 PolarHBondContact O-N 3.48Å; S177-E181 VanDerWaalsContact O-CG 3.28Å; S177-E181 WeakPolarHBondContact O-CG 3.27Å; S177-E181 PolarHBondContact O-N 3.12Å |
| 178 | L | 98.9 | Very high | 98.6 | Very high | 5 Ų | 5 | 34.3 Ų | 34.3 | 3% | 0.026 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -51.5 | -45.7 | 173.8 | -79 | 170.3 | 0 | 0 | 0 | 111.3 | M174 V180 E181 L182 I194 L222 | M174-L178 HydrophobicContact CG-CD1 3.98Å; M174-L178 HydrophobicContact CG-CG 4.34Å; M174-L178 WeakPolarHBondContact O-CB 3.46Å; M174-L178 WeakPolarHBondContact O-CG 3.28Å; M174-L178 PolarHBondContact O-N 3.38Å; L178-V180 VanDerWaalsContact C-N 3.34Å; L178-V180 PolarHBondContact O-N 3.01Å; L178-E181 WeakPolarHBondContact CA-OE2 3.38Å; L178-E181 PolarHBondContact O-N 3.15Å; L178-L182 HydrophobicContact CB-CD1 4.2Å; L178-L182 WeakPolarHBondContact O-CB 3.43Å; L178-L182 WeakPolarHBondContact O-CD1 3.47Å; L178-L182 WeakPolarHBondContact O-CG 3.43Å; L178-L182 PolarHBondContact O-N 3.46Å; L178-I194 HydrophobicContact CD2-CD1 3.97Å; L178-I194 HydrophobicContact CD2-CG2 3.78Å; L178-L222 HydrophobicContact CD1-CD2 3.67Å; L178-L222 HydrophobicContact CD1-CG 3.76Å |
| 179 | R | 98.7 | Very high | 98.5 | Very high | 104 Ų | 104 | 40.8 Ų | 40.8 | 39% | 0.392 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -56.1 | -46.7 | 176.4 | -177.8 | -171.9 | -62.6 | -172.6 | -6.9 | 112.3 | F175 K176 S177 Q183 | F175-R179 WeakPolarHBondContact O-CB 3.5Å; F175-R179 PolarHBondContact O-N 2.91Å; K176-R179 PolarHBondContact O-N 2.79Å; S177-R179 VanDerWaalsContact C-N 3.25Å; S177-R179 PolarHBondContact O-N 2.97Å; R179-Q183 VanDerWaalsContact O-CB 3.23Å; R179-Q183 WeakPolarHBondContact O-CB 3.15Å; R179-Q183 WeakPolarHBondContact O-CG 3.37Å; R179-Q183 PolarHBondContact O-N 3.23Å |
| 180 | V | 98.4 | Very high | 98.5 | Very high | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.03 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.7 | -46.5 | 179.2 | 167.4 | 0 | 0 | 0 | 0 | 110.8 | Q105 A109 K176 S177 L178 Q183 I184 | Q105-V180 HydrophobicContact CB-CG2 3.94Å; A109-V180 HydrophobicContact CB-CG1 3.67Å; A109-V180 HydrophobicContact CB-CG2 4.17Å; K176-V180 PolarHBondContact O-N 3.08Å; S177-V180 PolarHBondContact O-N 3.48Å; L178-V180 VanDerWaalsContact C-N 3.34Å; L178-V180 PolarHBondContact O-N 3.01Å; V180-Q183 PolarHBondContact O-N 3.41Å; V180-I184 HydrophobicContact CG1-CD1 3.8Å; V180-I184 WeakPolarHBondContact O-CD1 3.34Å; V180-I184 VanDerWaalsContact O-CG1 3.29Å; V180-I184 WeakPolarHBondContact O-CG1 3.45Å; V180-I184 PolarHBondContact O-N 2.87Å |
| 181 | E | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.6 | -51.3 | -179.2 | -69.2 | 154.8 | -172.1 | 0 | 0 | 111.1 | I120 A123 N125 S177 L178 I184 M185 I194 | I120-E181 HydrophobicContact CD1-CB 3.93Å; I120-E181 HydrophobicContact CD1-CG 3.99Å; A123-E181 HydrophobicContact CB-CB 4.35Å; A123-E181 HydrophobicContact CB-CG 3.69Å; N125-E181 PolarHBondContact ND2-OE2 3.17Å; N125-E181 PolarHBondContact OD1-OE1 2.82Å; S177-E181 VanDerWaalsContact O-CG 3.28Å; S177-E181 WeakPolarHBondContact O-CG 3.27Å; S177-E181 PolarHBondContact O-N 3.12Å; L178-E181 WeakPolarHBondContact CA-OE2 3.38Å; L178-E181 PolarHBondContact O-N 3.15Å; E181-I184 PolarHBondContact O-N 3Å; E181-M185 WeakPolarHBondContact O-CG 3.5Å; E181-M185 PolarHBondContact O-N 2.82Å; E181-I194 HydrophobicContact CB-CD1 4.11Å |
| 182 | L | 98.8 | Very high | 98.5 | Very high | 8 Ų | 8 | 45.6 Ų | 45.6 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.8 | -39.1 | 178.8 | -67 | 163.6 | 0 | 0 | 0 | 111.5 | L178 I184 M185 M186 I194 Y230 I235 | L178-L182 HydrophobicContact CB-CD1 4.2Å; L178-L182 WeakPolarHBondContact O-CB 3.43Å; L178-L182 WeakPolarHBondContact O-CD1 3.47Å; L178-L182 WeakPolarHBondContact O-CG 3.43Å; L178-L182 PolarHBondContact O-N 3.46Å; L182-I184 VanDerWaalsContact C-N 3.27Å; L182-I184 PolarHBondContact O-N 3.49Å; L182-M185 PolarHBondContact O-N 3.48Å; L182-M186 WeakPolarHBondContact O-CB 3.5Å; L182-M186 WeakPolarHBondContact O-CG 3.42Å; L182-M186 PolarHBondContact O-N 3.08Å; L182-I194 HydrophobicContact CD2-CD1 3.97Å; L182-I194 HydrophobicContact CG-CD1 4.19Å; L182-Y230 HydrophobicContact CB-CE1 4.14Å; L182-Y230 HydrophobicContact CD1-CD2 3.83Å; L182-Y230 HydrophobicContact CD1-CE1 4.41Å; L182-Y230 HydrophobicContact CD1-CE2 3.37Å; L182-Y230 HydrophobicContact CD2-CD1 3.87Å; L182-Y230 HydrophobicContact CD2-CD2 3.74Å; L182-Y230 HydrophobicContact CD2-CE1 4.12Å; L182-Y230 HydrophobicContact CD2-CE2 4.03Å; L182-Y230 HydrophobicContact CD2-CG 3.68Å; L182-Y230 HydrophobicContact CG-CD2 4.37Å; L182-Y230 HydrophobicContact CG-CE1 4.45Å; L182-Y230 HydrophobicContact CG-CE2 4.17Å; L182-I235 HydrophobicContact CD2-CD1 4.08Å; L182-I235 HydrophobicContact CD2-CG2 4.03Å |
| 183 | Q | 98.3 | Very high | 98.5 | Very high | 117 Ų | 117 | 45 Ų | 45 | 55% | 0.547 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60 | -38.3 | 173.7 | -81.2 | 175.3 | -11.6 | 0 | 0 | 112.4 | R179 V180 K187 | R179-Q183 VanDerWaalsContact O-CB 3.23Å; R179-Q183 WeakPolarHBondContact O-CB 3.15Å; R179-Q183 WeakPolarHBondContact O-CG 3.37Å; R179-Q183 PolarHBondContact O-N 3.23Å; V180-Q183 PolarHBondContact O-N 3.41Å; Q183-K187 WeakPolarHBondContact O-CB 3.42Å; Q183-K187 PolarHBondContact O-N 3.3Å |
| 184 | I | 98.4 | Very high | 98.5 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.015 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70.6 | -51.4 | 176.5 | -65.7 | 162.4 | 0 | 0 | 0 | 109.7 | V112 I120 V180 E181 L182 M186 K187 H188 | V112-I184 HydrophobicContact CB-CD1 4Å; V112-I184 HydrophobicContact CG1-CD1 3.7Å; I120-I184 HydrophobicContact CG1-CB 4.38Å; I120-I184 HydrophobicContact CG1-CG2 3.97Å; I120-I184 HydrophobicContact CG2-CG2 4.42Å; V180-I184 HydrophobicContact CG1-CD1 3.8Å; V180-I184 WeakPolarHBondContact O-CD1 3.34Å; V180-I184 VanDerWaalsContact O-CG1 3.29Å; V180-I184 WeakPolarHBondContact O-CG1 3.45Å; V180-I184 PolarHBondContact O-N 2.87Å; E181-I184 PolarHBondContact O-N 3Å; L182-I184 VanDerWaalsContact C-N 3.27Å; L182-I184 PolarHBondContact O-N 3.49Å; I184-M186 VanDerWaalsContact C-N 3.33Å; I184-M186 PolarHBondContact O-N 3.38Å; I184-K187 WeakPolarHBondContact O-CB 3.16Å; I184-K187 PolarHBondContact O-N 3.47Å; I184-K187 VanDerWaalsContact O-N 3.11Å; I184-H188 PolarHBondContact O-CD2 2.89Å; I184-H188 PolarHBondContact O-N 3.34Å |
| 185 | M | 98.7 | Very high | 98.5 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.7 | -44.7 | 179.8 | -70 | 176.9 | 175.8 | 0 | 0 | 112.1 | I120 E181 L182 K187 H188 E189 I194 I235 | I120-M185 HydrophobicContact CD1-CE 4.04Å; I120-M185 HydrophobicContact CD1-CG 4.46Å; I120-M185 HydrophobicContact CG1-CE 3.93Å; I120-M185 HydrophobicContact CG1-CG 3.93Å; E181-M185 WeakPolarHBondContact O-CG 3.5Å; E181-M185 PolarHBondContact O-N 2.82Å; L182-M185 PolarHBondContact O-N 3.48Å; M185-K187 VanDerWaalsContact C-N 3.31Å; M185-K187 PolarHBondContact O-N 2.81Å; M185-H188 PolarHBondContact O-N 3.23Å; M185-H188 VanDerWaalsContact O-N 3.15Å; M185-E189 PolarHBondContact O-N 2.81Å; M185-I194 HydrophobicContact CE-CD1 4.2Å; M185-I194 HydrophobicContact CE-CG1 3.85Å; M185-I194 HydrophobicContact SD-CD1 4.04Å; M185-I194 HydrophobicContact SD-CG1 4.2Å; M185-I235 HydrophobicContact CB-CD1 3.69Å; M185-I235 HydrophobicContact CB-CG1 4.43Å; M185-I235 HydrophobicContact SD-CD1 4.16Å; M185-I235 HydrophobicContact SD-CG1 4.29Å; M185-I235 HydrophobicContact SD-CG2 4.02Å |
| 186 | M | 98.4 | Very high | 98.5 | Very high | 56 Ų | 56 | 40.2 Ų | 40.2 | 28% | 0.276 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.3 | -32.8 | 177.5 | -71.5 | -56 | -58.2 | 0 | 0 | 113.1 | L182 I184 H188 E189 Y230 Y233 I235 | L182-M186 WeakPolarHBondContact O-CB 3.5Å; L182-M186 WeakPolarHBondContact O-CG 3.42Å; L182-M186 PolarHBondContact O-N 3.08Å; I184-M186 VanDerWaalsContact C-N 3.33Å; I184-M186 PolarHBondContact O-N 3.38Å; M186-H188 VanDerWaalsContact C-N 3.31Å; M186-E189 WeakPolarHBondContact O-CG 3.46Å; M186-Y230 HydrophobicContact CG-CD1 4.18Å; M186-Y230 HydrophobicContact CG-CE1 3.95Å; M186-Y230 HydrophobicContact SD-CD1 3.84Å; M186-Y230 HydrophobicContact SD-CE1 4.13Å; M186-Y233 HydrophobicContact CE-CD1 3.64Å; M186-Y233 HydrophobicContact CE-CD2 3.63Å; M186-Y233 HydrophobicContact CE-CE1 3.7Å; M186-Y233 HydrophobicContact CE-CE2 3.7Å; M186-Y233 HydrophobicContact CE-CG 3.6Å; M186-Y233 HydrophobicContact SD-CD1 4.18Å; M186-Y233 HydrophobicContact SD-CD2 3.4Å; M186-Y233 WeakPolarHBondContact SD-CD2 3.25Å; M186-Y233 HydrophobicContact SD-CE2 3.99Å; M186-Y233 HydrophobicContact SD-CG 3.52Å; M186-Y233 VanDerWaalsContact SD-CG 3.52Å; M186-I235 HydrophobicContact SD-CD1 4.08Å |
| 187 | K | 97.9 | Very high | 98.5 | Very high | 137 Ų | 137 | 38.8 Ų | 38.8 | 60% | 0.596 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -68.5 | -32.8 | 175.3 | 178.6 | -174.4 | 171.6 | -161.5 | 0 | 112 | Q183 I184 M185 | Q183-K187 WeakPolarHBondContact O-CB 3.42Å; Q183-K187 PolarHBondContact O-N 3.3Å; I184-K187 WeakPolarHBondContact O-CB 3.16Å; I184-K187 PolarHBondContact O-N 3.47Å; I184-K187 VanDerWaalsContact O-N 3.11Å; M185-K187 VanDerWaalsContact C-N 3.31Å; M185-K187 PolarHBondContact O-N 2.81Å |
| 188 | H | 97.5 | Very high | 98.4 | Very high | 40 Ų | 40 | 38.8 Ų | 38.8 | 19% | 0.185 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -93.5 | -18.6 | -175.8 | -71.8 | -69.7 | 0 | 0 | 0 | 113.8 | P117 G119 I184 M185 M186 K190 | P117-H188 PolarHBondContact O-CE1 3.11Å; G119-H188 WeakPolarHBondContact CA-CD2 3.29Å; G119-H188 WeakPolarHBondContact CA-NE2 3.25Å; G119-H188 PolarHBondContact N-NE2 3.21Å; I184-H188 PolarHBondContact O-CD2 2.89Å; I184-H188 PolarHBondContact O-N 3.34Å; M185-H188 PolarHBondContact O-N 3.23Å; M185-H188 VanDerWaalsContact O-N 3.15Å; M186-H188 VanDerWaalsContact C-N 3.31Å; H188-K190 HydrophobicContact CB-CD 4.41Å; H188-K190 HydrophobicContact CB-CG 4.45Å; H188-K190 WeakPolarHBondContact O-CG 3.44Å; H188-K190 PolarHBondContact O-N 2.71Å |
| 189 | E | 97.4 | Very high | 98.4 | Very high | 175 Ų | 175 | 39.1 Ų | 39.1 | 82% | 0.818 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 32.2 | 174.8 | -56 | -176.6 | 154.2 | 0 | 0 | 113.8 | M185 M186 | M185-E189 PolarHBondContact O-N 2.81Å; M186-E189 WeakPolarHBondContact O-CG 3.46Å |
| 190 | K | 97.8 | Very high | 98.2 | Very high | 123 Ų | 123 | 34.7 Ų | 34.7 | 54% | 0.535 | 17% | 0.169 | S | C | . | . | trans | -105.3 | 4.3 | -179.1 | -63.5 | 174.6 | -171.5 | 172.4 | 0 | 113.8 | D118 H188 | D118-K190 PolarHBondContact O-NZ 2.96Å; D118-K190 IonicContact OD1-NZ 3.16Å; D118-K190 PolarHBondContact OD1-NZ 3.24Å; H188-K190 HydrophobicContact CB-CD 4.41Å; H188-K190 HydrophobicContact CB-CG 4.45Å; H188-K190 WeakPolarHBondContact O-CG 3.44Å; H188-K190 PolarHBondContact O-N 2.71Å | ||
| 191 | G | 98.5 | Very high | 98.1 | Very high | 9 Ų | 9 | 34.6 Ų | 34.6 | 9% | 0.093 | 17% | 0.169 | C | C | . | . | trans | 68.5 | -159.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y233 G234 | G191-Y233 VanDerWaalsContact CA-O 3.29Å; G191-Y233 WeakPolarHBondContact CA-O 3.19Å; G191-G234 VanDerWaalsContact CA-O 3.28Å; G191-G234 WeakPolarHBondContact CA-O 3.34Å | ||
| 192 | G | 98.7 | Very high | 97.9 | Very high | 16 Ų | 16 | 34.7 Ų | 34.7 | 17% | 0.165 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162 | -179.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D121 G234 I235 R236 | D121-G192 CarbonylContact O-C 3.58Å; D121-G192 WeakPolarHBondContact O-CA 3.29Å; G192-G234 PolarHBondContact N-O 3.07Å; G192-I235 CarbonylContact O-C 3.43Å; G192-I235 WeakPolarHBondContact O-CA 3.2Å; G192-R236 PolarHBondContact O-N 3.15Å |
| 193 | S | 98.9 | Very high | 97.8 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 3% | 0.028 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 127.7 | 175.7 | -170.1 | 0 | 0 | 0 | 0 | 112.5 | D121 G122 A123 R236 L300 L301 | D121-S193 PolarHBondContact O-N 3.04Å; G122-S193 CarbonylContact C-O 3.59Å; G122-S193 WeakPolarHBondContact CA-O 3.36Å; A123-S193 PolarHBondContact N-O 2.94Å; S193-R236 CarbonylContact C-O 3.55Å; S193-R236 WeakPolarHBondContact CA-O 3.49Å; S193-R236 PolarHBondContact OG-NH1 3.34Å; S193-R236 PolarHBondContact OG-NH2 3Å; S193-L300 PolarHBondContact OG-O 3.27Å; S193-L301 VanDerWaalsContact CB-O 3.28Å; S193-L301 WeakPolarHBondContact CB-O 2.99Å; S193-L301 WeakPolarHBondContact O-CD2 3.48Å; S193-L301 WeakPolarHBondContact OG-CA 3.24Å |
| 194 | I | 99 | Very high | 97.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 132.4 | 179.9 | -56.2 | 178.6 | 0 | 0 | 0 | 110 | A123 L178 E181 L182 M185 R236 V237 N238 | A123-I194 HydrophobicContact CB-CG1 4.14Å; A123-I194 HydrophobicContact CB-CG2 4.22Å; A123-I194 CarbonylContact O-C 3.45Å; A123-I194 WeakPolarHBondContact O-CA 3.31Å; L178-I194 HydrophobicContact CD2-CD1 3.97Å; L178-I194 HydrophobicContact CD2-CG2 3.78Å; E181-I194 HydrophobicContact CB-CD1 4.11Å; L182-I194 HydrophobicContact CD2-CD1 3.97Å; L182-I194 HydrophobicContact CG-CD1 4.19Å; M185-I194 HydrophobicContact CE-CD1 4.2Å; M185-I194 HydrophobicContact CE-CG1 3.85Å; M185-I194 HydrophobicContact SD-CD1 4.04Å; M185-I194 HydrophobicContact SD-CG1 4.2Å; I194-R236 PolarHBondContact N-O 3.27Å; I194-V237 HydrophobicContact CB-CG1 4.2Å; I194-V237 HydrophobicContact CB-CG2 4.35Å; I194-V237 HydrophobicContact CG2-CG1 4.36Å; I194-V237 WeakPolarHBondContact O-CA 3.48Å; I194-N238 PolarHBondContact O-N 3.29Å |
| 195 | V | 99 | Very high | 97.2 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 116 | 173.8 | -177.4 | 0 | 0 | 0 | 0 | 110 | A123 V124 N125 I197 N238 L240 I297 L300 L301 | A123-V195 PolarHBondContact O-N 3.3Å; V124-V195 WeakPolarHBondContact CA-O 3.39Å; N125-V195 PolarHBondContact N-O 2.93Å; V195-I197 HydrophobicContact CG1-CD1 4.29Å; V195-N238 CarbonylContact C-O 3.53Å; V195-N238 WeakPolarHBondContact CA-O 3.42Å; V195-L240 HydrophobicContact CG1-CB 4.19Å; V195-I297 HydrophobicContact CB-CG2 4.35Å; V195-I297 HydrophobicContact CG1-CG1 4.35Å; V195-I297 HydrophobicContact CG1-CG2 4.31Å; V195-L300 HydrophobicContact CG1-CD1 4.29Å; V195-L300 HydrophobicContact CG2-CB 3.58Å; V195-L300 HydrophobicContact CG2-CD1 4.46Å; V195-L301 HydrophobicContact CG2-CD2 3.83Å; V195-L301 HydrophobicContact CG2-CG 3.86Å |
| 196 | N | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 126.6 | 175.2 | -65.6 | -34.5 | 0 | 0 | 0 | 110.4 | N125 M174 G198 V219 T223 N238 S239 L240 | N125-N196 WeakPolarHBondContact CB-OD1 3.45Å; N125-N196 PolarHBondContact ND2-OD1 3.39Å; M174-N196 HydrophobicContact CE-CB 3.77Å; M174-N196 HydrophobicContact SD-CB 3.79Å; N196-G198 PolarHBondContact O-N 3.44Å; N196-G198 VanDerWaalsContact O-N 3.14Å; N196-V219 HydrophobicContact CB-CG1 3.96Å; N196-T223 PolarHBondContact ND2-OG1 2.98Å; N196-N238 PolarHBondContact N-O 3.22Å; N196-S239 CarbonylContact O-C 3.55Å; N196-S239 WeakPolarHBondContact O-CA 3.45Å; N196-S239 WeakPolarHBondContact O-CB 3.49Å; N196-L240 PolarHBondContact O-N 2.96Å |
| 197 | I | 98.5 | Very high | 96.4 | Very high | 7 Ų | 7 | 40.6 Ų | 40.6 | 4% | 0.036 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 104.6 | -179.5 | -58.8 | -52.8 | 0 | 0 | 0 | 110.8 | I47 V124 N125 A126 V195 K216 L240 M242 I297 | I47-I197 HydrophobicContact CG2-CD1 4.29Å; V124-I197 HydrophobicContact CG1-CD1 4.32Å; V124-I197 HydrophobicContact CG1-CG1 4.35Å; N125-I197 WeakPolarHBondContact O-CB 3.33Å; N125-I197 WeakPolarHBondContact O-CG1 3.3Å; N125-I197 PolarHBondContact O-N 3.07Å; A126-I197 HydrophobicContact CB-CB 4.35Å; A126-I197 HydrophobicContact CB-CG1 3.6Å; V195-I197 HydrophobicContact CG1-CD1 4.29Å; I197-K216 PolarHBondContact O-NZ 3.3Å; I197-L240 HydrophobicContact CD1-CB 4.49Å; I197-M242 HydrophobicContact CD1-CE 4.17Å; I197-M242 HydrophobicContact CG2-CE 3.52Å; I197-M242 HydrophobicContact CG2-SD 4.08Å; I197-I297 HydrophobicContact CD1-CD1 3.68Å; I197-I297 HydrophobicContact CD1-CG1 4Å |
| 198 | G | 97.7 | Very high | 96 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | trans | -86.6 | -157.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | N196 L240 N241 | N196-G198 PolarHBondContact O-N 3.44Å; N196-G198 VanDerWaalsContact O-N 3.14Å; G198-L240 CarbonylContact C-O 3.48Å; G198-L240 WeakPolarHBondContact CA-O 3.35Å; G198-L240 PolarHBondContact N-O 3.35Å; G198-N241 WeakPolarHBondContact CA-OD1 3.31Å | ||
| 199 | S | 97.3 | Very high | 95.8 | Very high | 13 Ų | 13 | 33.4 Ų | 33.4 | 9% | 0.091 | 21% | 0.206 | C | C | . | . | trans | -162.3 | 157.7 | 178 | 176.4 | 0 | 0 | 0 | 0 | 108.8 | A201 G202 N241 M242 | S199-A201 PolarHBondContact O-N 3.47Å; S199-A201 PolarHBondContact OG-N 2.92Å; S199-A201 VanDerWaalsContact OG-N 3.11Å; S199-G202 WeakPolarHBondContact O-CA 3.14Å; S199-G202 PolarHBondContact O-N 2.98Å; S199-N241 PolarHBondContact N-OD1 2.94Å; S199-M242 CarbonylContact C-O 3.38Å; S199-M242 WeakPolarHBondContact CA-O 3.31Å | ||
| 200 | V | 96.2 | Very high | 95.7 | Very high | 11 Ų | 11 | 26.1 Ų | 26.1 | 7% | 0.067 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -55.6 | -26.6 | 164 | -64.6 | 0 | 0 | 0 | 0 | 112.4 | G202 L203 L204 M242 D243 D316 F319 T320 | V200-G202 PolarHBondContact O-N 2.96Å; V200-L203 PolarHBondContact O-N 3.49Å; V200-L204 PolarHBondContact O-N 3.28Å; V200-M242 PolarHBondContact N-O 3.45Å; V200-D243 HydrophobicContact CG1-CB 4.07Å; V200-D316 HydrophobicContact CG1-CB 3.64Å; V200-F319 HydrophobicContact CB-CD1 4.06Å; V200-F319 HydrophobicContact CG1-CB 4.29Å; V200-F319 HydrophobicContact CG1-CD1 4.12Å; V200-F319 HydrophobicContact CG1-CG 4.5Å; V200-F319 HydrophobicContact CG2-CD1 4.11Å; V200-F319 HydrophobicContact CG2-CE1 4.3Å; V200-T320 HydrophobicContact CB-CG2 4.14Å; V200-T320 HydrophobicContact CG1-CG2 3.83Å |
| 201 | A | 94.7 | Very high | 95.8 | Very high | 3 Ų | 3 | 20.3 Ų | 20.3 | 3% | 0.025 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -67.5 | -11.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114 | S199 L204 V206 Y212 V213 H217 | S199-A201 PolarHBondContact O-N 3.47Å; S199-A201 PolarHBondContact OG-N 2.92Å; S199-A201 VanDerWaalsContact OG-N 3.11Å; A201-L204 CarbonylContact C-O 3.49Å; A201-L204 WeakPolarHBondContact CA-O 3.47Å; A201-L204 VanDerWaalsContact O-O 3.05Å; A201-V206 HydrophobicContact CB-CG2 3.74Å; A201-Y212 HydrophobicContact CB-CD1 3.86Å; A201-Y212 HydrophobicContact CB-CE1 3.73Å; A201-V213 HydrophobicContact CB-CG2 4.32Å; A201-H217 PolarHBondContact O-CE1 3.01Å; A201-H217 PolarHBondContact O-ND1 2.96Å; A201-H217 VanDerWaalsContact O-ND1 3.07Å |
| 202 | G | 95.9 | Very high | 95.7 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -88.3 | -9.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S199 V200 H217 I220 | S199-G202 WeakPolarHBondContact O-CA 3.14Å; S199-G202 PolarHBondContact O-N 2.98Å; V200-G202 PolarHBondContact O-N 2.96Å; G202-H217 VanDerWaalsContact C-CE1 3.49Å; G202-H217 PolarHBondContact O-CD2 3.2Å; G202-H217 VanDerWaalsContact O-CG 3.31Å; G202-H217 PolarHBondContact O-NE2 3.15Å; G202-I220 WeakPolarHBondContact O-CD1 3.1Å |
| 203 | L | 95.7 | Very high | 95.6 | Very high | 62 Ų | 62 | 21 Ų | 21 | 33% | 0.325 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | -26.2 | 179.1 | -62.5 | 171.6 | 0 | 0 | 0 | 111.9 | V200 I220 N241 T314 T320 | V200-L203 PolarHBondContact O-N 3.49Å; L203-I220 HydrophobicContact CD2-CD1 3.37Å; L203-I220 HydrophobicContact CG-CD1 4.05Å; L203-N241 HydrophobicContact CD1-CB 3.81Å; L203-N241 HydrophobicContact CG-CB 4.4Å; L203-T314 HydrophobicContact CD1-CG2 3.57Å; L203-T320 HydrophobicContact CB-CG2 4.33Å; L203-T320 HydrophobicContact CD1-CG2 4.01Å |
| 204 | L | 93.6 | Very high | 95.6 | Very high | 69 Ų | 69 | 22.4 Ų | 22.4 | 36% | 0.361 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -132.6 | 158.8 | -175.6 | -56.4 | 174.7 | 0 | 0 | 0 | 110.1 | V200 A201 H217 F319 T320 | V200-L204 PolarHBondContact O-N 3.28Å; A201-L204 CarbonylContact C-O 3.49Å; A201-L204 WeakPolarHBondContact CA-O 3.47Å; A201-L204 VanDerWaalsContact O-O 3.05Å; L204-H217 PolarHBondContact O-CE1 3.23Å; L204-F319 HydrophobicContact CD1-CD1 3.92Å; L204-F319 HydrophobicContact CD1-CE1 3.79Å; L204-T320 HydrophobicContact CD1-CG2 3.83Å; L204-T320 HydrophobicContact CG-CG2 4.17Å |
| 205 | G | 91 | Very high | 95.6 | Very high | 71 Ų | 71 | 22.4 Ų | 22.4 | 73% | 0.732 | 16% | 0.157 | S | C | * | . | trans | -73.3 | 143.2 | 167 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 206 | V | 90.2 | Very high | 95.6 | Very high | 45 Ų | 45 | 23 Ų | 23 | 27% | 0.273 | 16% | 0.16 | S | C | . | . | trans | -125.5 | 124.5 | 169.6 | -177.4 | 0 | 0 | 0 | 0 | 109.2 | A201 G208 M209 V213 | A201-V206 HydrophobicContact CB-CG2 3.74Å; V206-G208 PolarHBondContact O-N 3.04Å; V206-M209 HydrophobicContact CB-SD 4.42Å; V206-M209 HydrophobicContact CG1-CG 4.34Å; V206-M209 HydrophobicContact CG1-SD 3.68Å; V206-V213 HydrophobicContact CB-CG2 3.84Å; V206-V213 HydrophobicContact CG2-CG2 4.36Å | ||
| 207 | A | 89.4 | Confident | 95.6 | Very high | 63 Ų | 63 | 27 Ų | 27 | 52% | 0.521 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 134.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | M209 R266 | A207-M209 VanDerWaalsContact C-N 3.34Å; A207-M209 PolarHBondContact O-N 2.9Å; A207-R266 PolarHBondContact O-NH2 2.98Å |
| 208 | G | 90.4 | Very high | 95.6 | Very high | 14 Ų | 14 | 28.3 Ų | 28.3 | 14% | 0.144 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 28.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | M152 A153 V206 R266 | M152-G208 CarbonylContact C-O 3.55Å; M152-G208 VanDerWaalsContact CB-O 3.29Å; M152-G208 WeakPolarHBondContact CB-O 3.5Å; A153-G208 CarbonylContact O-C 3.6Å; V206-G208 PolarHBondContact O-N 3.04Å; G208-R266 PolarHBondContact O-NH1 2.8Å |
| 209 | M | 93.2 | Very high | 95.6 | Very high | 13 Ų | 13 | 28.2 Ų | 28.2 | 6% | 0.064 | 19% | 0.189 | C | C | . | . | trans | -138.6 | 50.6 | 174.7 | -57.3 | -179.8 | 80.2 | 0 | 0 | 112.5 | M130 M152 V206 A207 A211 Y212 V213 Y257 | M130-M209 HydrophobicContact CB-CE 4.19Å; M130-M209 HydrophobicContact CG-CE 4.09Å; M130-M209 HydrophobicContact SD-CE 4Å; M152-M209 HydrophobicContact CB-CG 4.33Å; M152-M209 HydrophobicContact CG-CG 4.43Å; V206-M209 HydrophobicContact CB-SD 4.42Å; V206-M209 HydrophobicContact CG1-CG 4.34Å; V206-M209 HydrophobicContact CG1-SD 3.68Å; A207-M209 VanDerWaalsContact C-N 3.34Å; A207-M209 PolarHBondContact O-N 2.9Å; M209-A211 PolarHBondContact O-N 2.71Å; M209-Y212 HydrophobicContact CE-CD1 3.88Å; M209-Y212 HydrophobicContact CE-CG 4Å; M209-Y212 PolarHBondContact O-N 2.99Å; M209-V213 HydrophobicContact CB-CG2 4.43Å; M209-V213 WeakPolarHBondContact O-CG2 3.18Å; M209-V213 PolarHBondContact O-N 3.11Å; M209-Y257 WeakPolarHBondContact CG-OH 3.23Å; M209-Y257 PolarHBondContact SD-OH 3.5Å | ||
| 210 | P | 96.2 | Very high | 95.7 | Very high | 22 Ų | 22 | 28.4 Ų | 28.4 | 14% | 0.143 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.3 | -43.1 | -168.1 | 24.3 | -33.4 | 0 | 0 | 0 | 113.4 | A153 I155 A158 Y162 V213 A214 | A153-P210 WeakPolarHBondContact O-CD 3.36Å; A153-P210 WeakPolarHBondContact O-CG 3.45Å; I155-P210 HydrophobicContact CD1-CB 4.33Å; I155-P210 HydrophobicContact CG1-CB 3.59Å; I155-P210 HydrophobicContact CG1-CG 3.99Å; A158-P210 HydrophobicContact CB-CG 3.97Å; Y162-P210 HydrophobicContact CE1-CG 4.15Å; P210-V213 PolarHBondContact O-N 2.94Å; P210-A214 VanDerWaalsContact O-CB 3.25Å; P210-A214 WeakPolarHBondContact O-CB 3.14Å; P210-A214 PolarHBondContact O-N 2.63Å |
| 211 | A | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.8 | -40 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y162 W163 V166 M209 S215 | Y162-A211 HydrophobicContact CD1-CB 4.23Å; Y162-A211 HydrophobicContact CE1-CB 3.61Å; Y162-A211 HydrophobicContact CE2-CB 4.36Å; W163-A211 HydrophobicContact CD2-CB 4.29Å; W163-A211 HydrophobicContact CE3-CB 3.64Å; W163-A211 HydrophobicContact CZ3-CB 4.21Å; V166-A211 HydrophobicContact CB-CB 3.84Å; V166-A211 HydrophobicContact CG1-CB 3.88Å; V166-A211 HydrophobicContact CG2-CB 4.42Å; M209-A211 PolarHBondContact O-N 2.71Å; A211-S215 VanDerWaalsContact O-CB 3.25Å; A211-S215 WeakPolarHBondContact O-CB 3.45Å; A211-S215 PolarHBondContact O-N 3.47Å; A211-S215 PolarHBondContact O-OG 3.35Å |
| 212 | Y | 97.2 | Very high | 96 | Very high | 20 Ų | 20 | 31.2 Ų | 31.2 | 8% | 0.078 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.4 | -50 | 176.8 | -172.5 | -103 | 0 | 0 | 0 | 111.2 | V129 M130 A201 M209 A214 S215 K216 | V129-Y212 VanDerWaalsContact O-CD2 3.3Å; V129-Y212 WeakPolarHBondContact O-CD2 3.34Å; V129-Y212 WeakPolarHBondContact O-CE2 3.15Å; M130-Y212 HydrophobicContact CB-CD2 4.34Å; M130-Y212 HydrophobicContact CE-CE1 4.16Å; M130-Y212 HydrophobicContact CE-CE2 4.2Å; M130-Y212 HydrophobicContact CG-CD2 3.77Å; M130-Y212 HydrophobicContact CG-CE2 3.58Å; M130-Y212 HydrophobicContact CG-CG 4.39Å; A201-Y212 HydrophobicContact CB-CD1 3.86Å; A201-Y212 HydrophobicContact CB-CE1 3.73Å; M209-Y212 HydrophobicContact CE-CD1 3.88Å; M209-Y212 HydrophobicContact CE-CG 4Å; M209-Y212 PolarHBondContact O-N 2.99Å; Y212-A214 PolarHBondContact O-N 2.91Å; Y212-S215 PolarHBondContact O-N 2.83Å; Y212-S215 PolarHBondContact O-OG 3.32Å; Y212-K216 HydrophobicContact CD1-CG 4.27Å; Y212-K216 HydrophobicContact CE1-CG 3.91Å; Y212-K216 HydrophobicContact CE2-CG 4.18Å; Y212-K216 WeakPolarHBondContact O-CG 3.39Å; Y212-K216 PolarHBondContact O-N 3.03Å; Y212-K216 WeakPolarHBondContact OH-CE 3.44Å |
| 213 | V | 97.3 | Very high | 96.1 | Very high | 21 Ų | 21 | 31.1 Ų | 31.1 | 13% | 0.127 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.6 | -49.7 | 177.5 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | A201 V206 M209 P210 S215 K216 H217 | A201-V213 HydrophobicContact CB-CG2 4.32Å; V206-V213 HydrophobicContact CB-CG2 3.84Å; V206-V213 HydrophobicContact CG2-CG2 4.36Å; M209-V213 HydrophobicContact CB-CG2 4.43Å; M209-V213 WeakPolarHBondContact O-CG2 3.18Å; M209-V213 PolarHBondContact O-N 3.11Å; P210-V213 PolarHBondContact O-N 2.94Å; V213-S215 PolarHBondContact O-N 3.2Å; V213-K216 PolarHBondContact O-N 2.82Å; V213-H217 PolarHBondContact O-N 3.31Å; V213-H217 PolarHBondContact O-ND1 3.49Å |
| 214 | A | 98.7 | Very high | 96.3 | Very high | 33 Ų | 33 | 33.2 Ų | 33.2 | 27% | 0.273 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.6 | -47.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | W163 M167 P210 Y212 K216 H217 A218 | W163-A214 HydrophobicContact CH2-CB 3.76Å; W163-A214 HydrophobicContact CZ3-CB 4.04Å; M167-A214 HydrophobicContact SD-CB 4.35Å; P210-A214 VanDerWaalsContact O-CB 3.25Å; P210-A214 WeakPolarHBondContact O-CB 3.14Å; P210-A214 PolarHBondContact O-N 2.63Å; Y212-A214 PolarHBondContact O-N 2.91Å; A214-K216 VanDerWaalsContact C-N 3.32Å; A214-K216 PolarHBondContact O-N 3.36Å; A214-H217 PolarHBondContact O-N 2.87Å; A214-A218 PolarHBondContact O-N 2.88Å |
| 215 | S | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.7 | -38 | 179 | 73.1 | 0 | 0 | 0 | 0 | 112.7 | N170 A211 Y212 V213 A218 V219 | N170-S215 WeakPolarHBondContact CB-OG 3.41Å; N170-S215 PolarHBondContact ND2-OG 3.08Å; A211-S215 VanDerWaalsContact O-CB 3.25Å; A211-S215 WeakPolarHBondContact O-CB 3.45Å; A211-S215 PolarHBondContact O-N 3.47Å; A211-S215 PolarHBondContact O-OG 3.35Å; Y212-S215 PolarHBondContact O-N 2.83Å; Y212-S215 PolarHBondContact O-OG 3.32Å; V213-S215 PolarHBondContact O-N 3.2Å; S215-A218 WeakPolarHBondContact O-CB 3.44Å; S215-A218 PolarHBondContact O-N 2.96Å; S215-V219 WeakPolarHBondContact O-CG2 3.47Å; S215-V219 PolarHBondContact O-N 3.12Å; S215-V219 VanDerWaalsContact O-N 3.14Å |
| 216 | K | 98.4 | Very high | 96.9 | Very high | 13 Ų | 13 | 30.2 Ų | 30.2 | 6% | 0.057 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -77.1 | -30.4 | 179.6 | -68.5 | -57.7 | -169.9 | -177.9 | 0 | 113.3 | I197 Y212 V213 A214 A218 V219 | I197-K216 PolarHBondContact O-NZ 3.3Å; Y212-K216 HydrophobicContact CD1-CG 4.27Å; Y212-K216 HydrophobicContact CE1-CG 3.91Å; Y212-K216 HydrophobicContact CE2-CG 4.18Å; Y212-K216 WeakPolarHBondContact O-CG 3.39Å; Y212-K216 PolarHBondContact O-N 3.03Å; Y212-K216 WeakPolarHBondContact OH-CE 3.44Å; V213-K216 PolarHBondContact O-N 2.82Å; A214-K216 VanDerWaalsContact C-N 3.32Å; A214-K216 PolarHBondContact O-N 3.36Å; K216-A218 VanDerWaalsContact C-N 3.31Å; K216-V219 HydrophobicContact CD-CG2 4.26Å; K216-V219 WeakPolarHBondContact O-CB 3.42Å; K216-V219 PolarHBondContact O-N 2.99Å |
| 217 | H | 98.7 | Very high | 97.3 | Very high | 82 Ų | 82 | 28.3 Ų | 28.3 | 38% | 0.38 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -64.8 | -40 | 167 | -78.5 | 74.9 | 0 | 0 | 0 | 110.7 | A201 G202 L204 V213 A214 V219 I220 G221 | A201-H217 PolarHBondContact O-CE1 3.01Å; A201-H217 PolarHBondContact O-ND1 2.96Å; A201-H217 VanDerWaalsContact O-ND1 3.07Å; G202-H217 VanDerWaalsContact C-CE1 3.49Å; G202-H217 PolarHBondContact O-CD2 3.2Å; G202-H217 VanDerWaalsContact O-CG 3.31Å; G202-H217 PolarHBondContact O-NE2 3.15Å; L204-H217 PolarHBondContact O-CE1 3.23Å; V213-H217 PolarHBondContact O-N 3.31Å; V213-H217 PolarHBondContact O-ND1 3.49Å; A214-H217 PolarHBondContact O-N 2.87Å; H217-V219 VanDerWaalsContact C-N 3.29Å; H217-V219 PolarHBondContact O-N 3.37Å; H217-I220 WeakPolarHBondContact O-CB 3.29Å; H217-I220 PolarHBondContact O-N 3.17Å; H217-I220 VanDerWaalsContact O-N 3.11Å; H217-G221 PolarHBondContact O-N 3.36Å |
| 218 | A | 98.8 | Very high | 97.8 | Very high | 35 Ų | 35 | 32 Ų | 32 | 29% | 0.289 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63.7 | -31.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | I171 A214 S215 K216 I220 G221 L222 | I171-A218 HydrophobicContact CB-CB 4.28Å; I171-A218 HydrophobicContact CD1-CB 3.75Å; I171-A218 HydrophobicContact CG1-CB 3.66Å; A214-A218 PolarHBondContact O-N 2.88Å; S215-A218 WeakPolarHBondContact O-CB 3.44Å; S215-A218 PolarHBondContact O-N 2.96Å; K216-A218 VanDerWaalsContact C-N 3.31Å; A218-I220 PolarHBondContact O-N 2.98Å; A218-G221 PolarHBondContact O-N 2.92Å; A218-L222 WeakPolarHBondContact O-CB 3.39Å; A218-L222 PolarHBondContact O-N 3.37Å |
| 219 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.5 | -41.1 | 172.4 | 170.1 | 0 | 0 | 0 | 0 | 111.4 | I171 M174 N196 S215 K216 H217 T223 | I171-V219 HydrophobicContact CD1-CG2 4.43Å; M174-V219 HydrophobicContact CE-CG1 3.97Å; M174-V219 HydrophobicContact CE-CG2 3.77Å; M174-V219 HydrophobicContact SD-CB 4.26Å; M174-V219 HydrophobicContact SD-CG1 3.91Å; M174-V219 HydrophobicContact SD-CG2 3.8Å; N196-V219 HydrophobicContact CB-CG1 3.96Å; S215-V219 WeakPolarHBondContact O-CG2 3.47Å; S215-V219 PolarHBondContact O-N 3.12Å; S215-V219 VanDerWaalsContact O-N 3.14Å; K216-V219 HydrophobicContact CD-CG2 4.26Å; K216-V219 WeakPolarHBondContact O-CB 3.42Å; K216-V219 PolarHBondContact O-N 2.99Å; H217-V219 VanDerWaalsContact C-N 3.29Å; H217-V219 PolarHBondContact O-N 3.37Å; V219-T223 VanDerWaalsContact O-CB 3.23Å; V219-T223 WeakPolarHBondContact O-CB 3.43Å; V219-T223 PolarHBondContact O-N 3.38Å; V219-T223 PolarHBondContact O-OG1 3.14Å |
| 220 | I | 98.6 | Very high | 98.4 | Very high | 18 Ų | 18 | 37.2 Ų | 37.2 | 9% | 0.092 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.7 | -47.5 | 179.6 | -64.5 | 178.8 | 0 | 0 | 0 | 110.9 | G202 L203 H217 A218 L222 T223 K224 S312 | G202-I220 WeakPolarHBondContact O-CD1 3.1Å; L203-I220 HydrophobicContact CD2-CD1 3.37Å; L203-I220 HydrophobicContact CG-CD1 4.05Å; H217-I220 WeakPolarHBondContact O-CB 3.29Å; H217-I220 PolarHBondContact O-N 3.17Å; H217-I220 VanDerWaalsContact O-N 3.11Å; A218-I220 PolarHBondContact O-N 2.98Å; I220-L222 PolarHBondContact O-N 3.4Å; I220-T223 WeakPolarHBondContact O-CB 3.39Å; I220-T223 PolarHBondContact O-N 2.91Å; I220-K224 HydrophobicContact CG2-CD 4.26Å; I220-K224 WeakPolarHBondContact O-CG 3.17Å; I220-K224 PolarHBondContact O-N 3.24Å; I220-S312 VanDerWaalsContact CG2-OG 3.31Å; I220-S312 WeakPolarHBondContact CG2-OG 3.49Å |
| 221 | G | 98.6 | Very high | 98.6 | Very high | 41 Ų | 41 | 38.6 Ų | 38.6 | 42% | 0.423 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.6 | -47 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | H217 A218 T223 K224 N225 | H217-G221 PolarHBondContact O-N 3.36Å; A218-G221 PolarHBondContact O-N 2.92Å; G221-T223 VanDerWaalsContact C-N 3.34Å; G221-T223 PolarHBondContact O-N 3.23Å; G221-K224 PolarHBondContact O-N 3.4Å; G221-N225 PolarHBondContact O-N 3.33Å |
| 222 | L | 98.6 | Very high | 98.6 | Very high | 31 Ų | 31 | 45.5 Ų | 45.5 | 16% | 0.162 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66 | -36.7 | 179.4 | -173.7 | 58.7 | 0 | 0 | 0 | 112.4 | I171 M174 F175 L178 A218 I220 N225 A226 | I171-L222 HydrophobicContact CD1-CB 4.17Å; I171-L222 HydrophobicContact CD1-CD2 3.67Å; M174-L222 HydrophobicContact CG-CD2 4.42Å; F175-L222 HydrophobicContact CB-CD2 4.01Å; F175-L222 HydrophobicContact CD2-CD1 4.37Å; L178-L222 HydrophobicContact CD1-CD2 3.67Å; L178-L222 HydrophobicContact CD1-CG 3.76Å; A218-L222 WeakPolarHBondContact O-CB 3.39Å; A218-L222 PolarHBondContact O-N 3.37Å; I220-L222 PolarHBondContact O-N 3.4Å; L222-N225 PolarHBondContact O-N 2.86Å; L222-A226 WeakPolarHBondContact O-CB 3.23Å; L222-A226 PolarHBondContact O-N 3.18Å |
| 223 | T | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 173.4 | -66.9 | 0 | 0 | 0 | 0 | 111.5 | N196 V219 I220 G221 A226 A227 V237 N238 | N196-T223 PolarHBondContact ND2-OG1 2.98Å; V219-T223 VanDerWaalsContact O-CB 3.23Å; V219-T223 WeakPolarHBondContact O-CB 3.43Å; V219-T223 PolarHBondContact O-N 3.38Å; V219-T223 PolarHBondContact O-OG1 3.14Å; I220-T223 WeakPolarHBondContact O-CB 3.39Å; I220-T223 PolarHBondContact O-N 2.91Å; G221-T223 VanDerWaalsContact C-N 3.34Å; G221-T223 PolarHBondContact O-N 3.23Å; T223-A226 PolarHBondContact O-N 3.15Å; T223-A227 WeakPolarHBondContact O-CB 3.06Å; T223-A227 PolarHBondContact O-N 3.19Å; T223-V237 HydrophobicContact CG2-CG1 4.25Å; T223-N238 VanDerWaalsContact CG2-C 3.42Å |
| 224 | K | 98.9 | Very high | 98.7 | Very high | 106 Ų | 106 | 51 Ų | 51 | 46% | 0.461 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 179 | -70.9 | 175.1 | -179.8 | 180 | 0 | 111.8 | I220 G221 A227 L228 | I220-K224 HydrophobicContact CG2-CD 4.26Å; I220-K224 WeakPolarHBondContact O-CG 3.17Å; I220-K224 PolarHBondContact O-N 3.24Å; G221-K224 PolarHBondContact O-N 3.4Å; K224-A227 PolarHBondContact O-N 3.46Å; K224-L228 WeakPolarHBondContact O-CG 3.3Å; K224-L228 PolarHBondContact O-N 3.17Å |
| 225 | N | 98.9 | Very high | 98.7 | Very high | 74 Ų | 74 | 49.5 Ų | 49.5 | 40% | 0.396 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.9 | -50.7 | 175 | 163.3 | -113.1 | 0 | 0 | 0 | 111.4 | G221 L222 A227 L228 D229 | G221-N225 PolarHBondContact O-N 3.33Å; L222-N225 PolarHBondContact O-N 2.86Å; N225-A227 VanDerWaalsContact C-N 3.3Å; N225-A227 PolarHBondContact O-N 3.33Å; N225-L228 PolarHBondContact O-N 3Å; N225-L228 VanDerWaalsContact O-N 3.12Å; N225-D229 PolarHBondContact ND2-OD2 2.64Å; N225-D229 PolarHBondContact O-N 2.83Å |
| 226 | A | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 51 Ų | 51 | 3% | 0.025 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.6 | -36.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L222 T223 L228 Y230 V237 | L222-A226 WeakPolarHBondContact O-CB 3.23Å; L222-A226 PolarHBondContact O-N 3.18Å; T223-A226 PolarHBondContact O-N 3.15Å; A226-L228 VanDerWaalsContact C-N 3.34Å; A226-L228 PolarHBondContact O-N 2.95Å; A226-Y230 HydrophobicContact CB-CD2 4.42Å; A226-Y230 WeakPolarHBondContact O-CB 3.41Å; A226-Y230 VanDerWaalsContact O-CD2 3.26Å; A226-Y230 WeakPolarHBondContact O-CD2 3.36Å; A226-Y230 PolarHBondContact O-N 3.08Å; A226-Y230 VanDerWaalsContact O-N 3.1Å; A226-V237 HydrophobicContact CB-CB 4.25Å; A226-V237 HydrophobicContact CB-CG1 4.06Å; A226-V237 HydrophobicContact CB-CG2 4Å |
| 227 | A | 98.9 | Very high | 98.8 | Very high | 6 Ų | 6 | 50.3 Ų | 50.3 | 5% | 0.05 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T223 K224 N225 A231 V237 T309 G310 | T223-A227 WeakPolarHBondContact O-CB 3.06Å; T223-A227 PolarHBondContact O-N 3.19Å; K224-A227 PolarHBondContact O-N 3.46Å; N225-A227 VanDerWaalsContact C-N 3.3Å; N225-A227 PolarHBondContact O-N 3.33Å; A227-A231 WeakPolarHBondContact O-CB 3.23Å; A227-A231 PolarHBondContact O-N 3.46Å; A227-A231 VanDerWaalsContact O-N 3.09Å; A227-V237 HydrophobicContact CB-CB 4.33Å; A227-T309 WeakPolarHBondContact CB-OG1 3.39Å; A227-G310 VanDerWaalsContact CB-CA 3.43Å |
| 228 | L | 98.8 | Very high | 98.8 | Very high | 139 Ų | 139 | 46.4 Ų | 46.4 | 73% | 0.728 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -67.1 | -47.6 | 177.6 | -72.2 | 167.3 | 0 | 0 | 0 | 112.1 | K224 N225 A226 Y230 | K224-L228 WeakPolarHBondContact O-CG 3.3Å; K224-L228 PolarHBondContact O-N 3.17Å; N225-L228 PolarHBondContact O-N 3Å; N225-L228 VanDerWaalsContact O-N 3.12Å; A226-L228 VanDerWaalsContact C-N 3.34Å; A226-L228 PolarHBondContact O-N 2.95Å; L228-Y230 VanDerWaalsContact C-N 3.3Å; L228-Y230 PolarHBondContact O-N 3.24Å |
| 229 | D | 98.8 | Very high | 98.8 | Very high | 75 Ų | 75 | 44.8 Ų | 44.8 | 40% | 0.401 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.8 | -34.3 | -174.7 | -68.9 | -16.5 | 0 | 0 | 0 | 111.8 | N225 Q232 | N225-D229 PolarHBondContact ND2-OD2 2.64Å; N225-D229 PolarHBondContact O-N 2.83Å; D229-Q232 PolarHBondContact O-NE2 2.86Å |
| 230 | Y | 98.8 | Very high | 98.8 | Very high | 63 Ų | 63 | 44.8 Ų | 44.8 | 25% | 0.247 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -112.6 | -4.5 | -168.2 | -61.1 | -83.2 | 0 | 0 | 0 | 116.2 | L182 M186 A226 L228 Q232 Y233 I235 | L182-Y230 HydrophobicContact CB-CE1 4.14Å; L182-Y230 HydrophobicContact CD1-CD2 3.83Å; L182-Y230 HydrophobicContact CD1-CE1 4.41Å; L182-Y230 HydrophobicContact CD1-CE2 3.37Å; L182-Y230 HydrophobicContact CD2-CD1 3.87Å; L182-Y230 HydrophobicContact CD2-CD2 3.74Å; L182-Y230 HydrophobicContact CD2-CE1 4.12Å; L182-Y230 HydrophobicContact CD2-CE2 4.03Å; L182-Y230 HydrophobicContact CD2-CG 3.68Å; L182-Y230 HydrophobicContact CG-CD2 4.37Å; L182-Y230 HydrophobicContact CG-CE1 4.45Å; L182-Y230 HydrophobicContact CG-CE2 4.17Å; M186-Y230 HydrophobicContact CG-CD1 4.18Å; M186-Y230 HydrophobicContact CG-CE1 3.95Å; M186-Y230 HydrophobicContact SD-CD1 3.84Å; M186-Y230 HydrophobicContact SD-CE1 4.13Å; A226-Y230 HydrophobicContact CB-CD2 4.42Å; A226-Y230 WeakPolarHBondContact O-CB 3.41Å; A226-Y230 VanDerWaalsContact O-CD2 3.26Å; A226-Y230 WeakPolarHBondContact O-CD2 3.36Å; A226-Y230 PolarHBondContact O-N 3.08Å; A226-Y230 VanDerWaalsContact O-N 3.1Å; L228-Y230 VanDerWaalsContact C-N 3.3Å; L228-Y230 PolarHBondContact O-N 3.24Å; Y230-Q232 PolarHBondContact O-N 3.12Å; Y230-Y233 AromaticContact CD1-CD2 3.95Å; Y230-Y233 HydrophobicContact CD1-CD2 3.95Å; Y230-Y233 HydrophobicContact CD1-CE2 4.33Å; Y230-Y233 PolarHBondContact O-N 2.97Å; Y230-I235 HydrophobicContact CD1-CD1 4.3Å; Y230-I235 PolarHBondContact O-N 3.43Å |
| 231 | A | 98.7 | Very high | 98.7 | Very high | 51 Ų | 51 | 43.9 Ų | 43.9 | 42% | 0.421 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -57.1 | -37.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | A227 Y233 G234 | A227-A231 WeakPolarHBondContact O-CB 3.23Å; A227-A231 PolarHBondContact O-N 3.46Å; A227-A231 VanDerWaalsContact O-N 3.09Å; A231-Y233 PolarHBondContact O-N 3.33Å; A231-Y233 VanDerWaalsContact O-N 3.1Å; A231-G234 PolarHBondContact O-N 3.47Å |
| 232 | Q | 98.4 | Very high | 98.6 | Very high | 145 Ų | 145 | 42.5 Ų | 42.5 | 68% | 0.678 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -61.5 | -17.5 | 177.5 | 69.5 | -175.9 | -54.5 | 0 | 0 | 113.8 | D229 Y230 | D229-Q232 PolarHBondContact O-NE2 2.86Å; Y230-Q232 PolarHBondContact O-N 3.12Å |
| 233 | Y | 98.6 | Very high | 98.4 | Very high | 105 Ų | 105 | 41.9 Ų | 41.9 | 41% | 0.412 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -103.2 | 15.1 | 178.3 | -49.7 | -65.3 | 0 | 0 | 0 | 112.6 | M186 G191 Y230 A231 I235 | M186-Y233 HydrophobicContact CE-CD1 3.64Å; M186-Y233 HydrophobicContact CE-CD2 3.63Å; M186-Y233 HydrophobicContact CE-CE1 3.7Å; M186-Y233 HydrophobicContact CE-CE2 3.7Å; M186-Y233 HydrophobicContact CE-CG 3.6Å; M186-Y233 HydrophobicContact SD-CD1 4.18Å; M186-Y233 HydrophobicContact SD-CD2 3.4Å; M186-Y233 WeakPolarHBondContact SD-CD2 3.25Å; M186-Y233 HydrophobicContact SD-CE2 3.99Å; M186-Y233 HydrophobicContact SD-CG 3.52Å; M186-Y233 VanDerWaalsContact SD-CG 3.52Å; G191-Y233 VanDerWaalsContact CA-O 3.29Å; G191-Y233 WeakPolarHBondContact CA-O 3.19Å; Y230-Y233 AromaticContact CD1-CD2 3.95Å; Y230-Y233 HydrophobicContact CD1-CD2 3.95Å; Y230-Y233 HydrophobicContact CD1-CE2 4.33Å; Y230-Y233 PolarHBondContact O-N 2.97Å; A231-Y233 PolarHBondContact O-N 3.33Å; A231-Y233 VanDerWaalsContact O-N 3.1Å; Y233-I235 VanDerWaalsContact C-N 3.27Å; Y233-I235 PolarHBondContact O-N 2.89Å |
| 234 | G | 98.6 | Very high | 97.9 | Very high | 51 Ų | 51 | 44.4 Ų | 44.4 | 53% | 0.526 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 22 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | G191 G192 A231 | G191-G234 VanDerWaalsContact CA-O 3.28Å; G191-G234 WeakPolarHBondContact CA-O 3.34Å; G192-G234 PolarHBondContact N-O 3.07Å; A231-G234 PolarHBondContact O-N 3.47Å |
| 235 | I | 98.9 | Very high | 97.5 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 122.2 | 178.2 | -57.7 | 171.1 | 0 | 0 | 0 | 109.4 | L182 M185 M186 G192 Y230 Y233 V237 | L182-I235 HydrophobicContact CD2-CD1 4.08Å; L182-I235 HydrophobicContact CD2-CG2 4.03Å; M185-I235 HydrophobicContact CB-CD1 3.69Å; M185-I235 HydrophobicContact CB-CG1 4.43Å; M185-I235 HydrophobicContact SD-CD1 4.16Å; M185-I235 HydrophobicContact SD-CG1 4.29Å; M185-I235 HydrophobicContact SD-CG2 4.02Å; M186-I235 HydrophobicContact SD-CD1 4.08Å; G192-I235 CarbonylContact O-C 3.43Å; G192-I235 WeakPolarHBondContact O-CA 3.2Å; Y230-I235 HydrophobicContact CD1-CD1 4.3Å; Y230-I235 PolarHBondContact O-N 3.43Å; Y233-I235 VanDerWaalsContact C-N 3.27Å; Y233-I235 PolarHBondContact O-N 2.89Å; I235-V237 HydrophobicContact CG2-CG2 4.12Å |
| 236 | R | 98.9 | Very high | 96.9 | Very high | 30 Ų | 30 | 41.5 Ų | 41.5 | 11% | 0.113 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 137.5 | 173.6 | -61.4 | -177.7 | -61.8 | 98.6 | -1.8 | 109.9 | G192 S193 I194 L300 L301 S302 A305 S306 V308 T309 | G192-R236 PolarHBondContact O-N 3.15Å; S193-R236 CarbonylContact C-O 3.55Å; S193-R236 WeakPolarHBondContact CA-O 3.49Å; S193-R236 PolarHBondContact OG-NH1 3.34Å; S193-R236 PolarHBondContact OG-NH2 3Å; I194-R236 PolarHBondContact N-O 3.27Å; R236-L300 PolarHBondContact NH1-O 2.9Å; R236-L300 PolarHBondContact NH2-O 3.34Å; R236-L301 PolarHBondContact NH2-O 3.34Å; R236-S302 PolarHBondContact NH2-O 3.39Å; R236-A305 PolarHBondContact NH1-O 3.43Å; R236-A305 VanDerWaalsContact NH1-O 3.09Å; R236-S306 WeakPolarHBondContact CD-O 3.29Å; R236-V308 WeakPolarHBondContact CD-O 3.36Å; R236-V308 PolarHBondContact NH1-O 2.83Å; R236-T309 WeakPolarHBondContact CA-OG1 3.35Å |
| 237 | V | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 119.9 | 176.7 | -168.8 | 0 | 0 | 0 | 0 | 108.9 | I194 T223 A226 A227 I235 T309 G310 | I194-V237 HydrophobicContact CB-CG1 4.2Å; I194-V237 HydrophobicContact CB-CG2 4.35Å; I194-V237 HydrophobicContact CG2-CG1 4.36Å; I194-V237 WeakPolarHBondContact O-CA 3.48Å; T223-V237 HydrophobicContact CG2-CG1 4.25Å; A226-V237 HydrophobicContact CB-CB 4.25Å; A226-V237 HydrophobicContact CB-CG1 4.06Å; A226-V237 HydrophobicContact CB-CG2 4Å; A227-V237 HydrophobicContact CB-CB 4.33Å; I235-V237 HydrophobicContact CG2-CG2 4.12Å; V237-T309 PolarHBondContact N-OG1 2.88Å; V237-G310 WeakPolarHBondContact O-CA 3.31Å; V237-G310 PolarHBondContact O-N 3.48Å |
| 238 | N | 98.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 159.7 | -179.6 | -64.4 | -65 | 0 | 0 | 0 | 110.4 | I194 V195 N196 T223 L300 V308 T309 G310 A311 | I194-N238 PolarHBondContact O-N 3.29Å; V195-N238 CarbonylContact C-O 3.53Å; V195-N238 WeakPolarHBondContact CA-O 3.42Å; N196-N238 PolarHBondContact N-O 3.22Å; T223-N238 VanDerWaalsContact CG2-C 3.42Å; N238-L300 HydrophobicContact CB-CD1 4.34Å; N238-L300 HydrophobicContact CB-CD2 4.44Å; N238-V308 PolarHBondContact ND2-O 3.11Å; N238-T309 VanDerWaalsContact OD1-C 3.23Å; N238-T309 WeakPolarHBondContact OD1-CA 3.43Å; N238-T309 PolarHBondContact OD1-N 3.19Å; N238-G310 PolarHBondContact OD1-N 3.4Å; N238-A311 VanDerWaalsContact OD1-CB 3.26Å; N238-A311 WeakPolarHBondContact OD1-CB 3.2Å; N238-A311 PolarHBondContact OD1-N 3.38Å |
| 239 | S | 98.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 142.1 | 169.1 | 69.3 | 0 | 0 | 0 | 0 | 110.8 | N196 N241 A311 S312 A313 | N196-S239 CarbonylContact O-C 3.55Å; N196-S239 WeakPolarHBondContact O-CA 3.45Å; N196-S239 WeakPolarHBondContact O-CB 3.49Å; S239-N241 PolarHBondContact OG-ND2 3.41Å; S239-N241 VanDerWaalsContact OG-ND2 3.09Å; S239-A311 PolarHBondContact N-O 3.12Å; S239-S312 WeakPolarHBondContact OG-CA 3.41Å; S239-A313 WeakPolarHBondContact O-CB 3.4Å; S239-A313 PolarHBondContact O-N 3.31Å |
| 240 | L | 98.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 113.4 | 170.9 | -176.1 | 63.8 | 0 | 0 | 0 | 109.4 | V195 N196 I197 G198 M242 Y296 I297 L300 A313 | V195-L240 HydrophobicContact CG1-CB 4.19Å; N196-L240 PolarHBondContact O-N 2.96Å; I197-L240 HydrophobicContact CD1-CB 4.49Å; G198-L240 CarbonylContact C-O 3.48Å; G198-L240 WeakPolarHBondContact CA-O 3.35Å; G198-L240 PolarHBondContact N-O 3.35Å; L240-M242 HydrophobicContact CD2-CE 4.32Å; L240-M242 HydrophobicContact CG-CE 4.47Å; L240-Y296 HydrophobicContact CD1-CD1 3.81Å; L240-Y296 HydrophobicContact CD1-CD2 4.37Å; L240-Y296 HydrophobicContact CD1-CE1 4.18Å; L240-Y296 HydrophobicContact CD1-CG 3.9Å; L240-I297 HydrophobicContact CD2-CD1 4.33Å; L240-I297 HydrophobicContact CD2-CG1 3.55Å; L240-L300 HydrophobicContact CB-CD1 4.35Å; L240-L300 HydrophobicContact CD1-CD1 4.49Å; L240-A313 HydrophobicContact CD1-CB 4.19Å |
| 241 | N | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 99.2 | -174.3 | -55.3 | -78.7 | 0 | 0 | 0 | 108.7 | G198 S199 L203 S239 A313 T314 S315 | G198-N241 WeakPolarHBondContact CA-OD1 3.31Å; S199-N241 PolarHBondContact N-OD1 2.94Å; L203-N241 HydrophobicContact CD1-CB 3.81Å; L203-N241 HydrophobicContact CG-CB 4.4Å; S239-N241 PolarHBondContact OG-ND2 3.41Å; S239-N241 VanDerWaalsContact OG-ND2 3.09Å; N241-A313 WeakPolarHBondContact CB-O 3.34Å; N241-A313 PolarHBondContact N-O 3.23Å; N241-A313 PolarHBondContact ND2-O 3.29Å; N241-T314 HydrophobicContact CB-CG2 4.34Å; N241-T314 WeakPolarHBondContact O-CA 3.5Å; N241-S315 PolarHBondContact O-N 3.33Å; N241-S315 VanDerWaalsContact O-N 3.08Å |
| 242 | M | 96.1 | Very high | 94.1 | Very high | 11 Ų | 11 | 37.2 Ų | 37.2 | 5% | 0.054 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 149.2 | -176.8 | 60.6 | -165 | 60.9 | 0 | 0 | 111.9 | I47 I197 S199 V200 L240 V245 | I47-M242 HydrophobicContact CD1-CE 3.96Å; I47-M242 HydrophobicContact CD1-SD 3.26Å; I47-M242 WeakPolarHBondContact CD1-SD 3.41Å; I47-M242 HydrophobicContact CG1-CE 4.45Å; I47-M242 HydrophobicContact CG1-SD 4.15Å; I47-M242 HydrophobicContact CG2-CE 4.38Å; I197-M242 HydrophobicContact CD1-CE 4.17Å; I197-M242 HydrophobicContact CG2-CE 3.52Å; I197-M242 HydrophobicContact CG2-SD 4.08Å; S199-M242 CarbonylContact C-O 3.38Å; S199-M242 WeakPolarHBondContact CA-O 3.31Å; V200-M242 PolarHBondContact N-O 3.45Å; L240-M242 HydrophobicContact CD2-CE 4.32Å; L240-M242 HydrophobicContact CG-CE 4.47Å; M242-V245 HydrophobicContact CB-CG2 3.91Å; M242-V245 HydrophobicContact CG-CG2 3.84Å; M242-V245 HydrophobicContact SD-CG2 3.44Å; M242-V245 WeakPolarHBondContact SD-CG2 3.35Å |
| 243 | D | 93.3 | Very high | 93.7 | Very high | 19 Ų | 19 | 30.6 Ų | 30.6 | 10% | 0.102 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -75.5 | -164.4 | 159.7 | -173.7 | 16.8 | 0 | 0 | 0 | 109.2 | V200 V245 D316 F319 | V200-D243 HydrophobicContact CG1-CB 4.07Å; D243-V245 WeakPolarHBondContact O-CG2 3.43Å; D243-V245 PolarHBondContact O-N 3.37Å; D243-V245 VanDerWaalsContact O-N 3.15Å; D243-D316 HydrophobicContact CB-CB 3.84Å; D243-F319 HydrophobicContact CB-CB 4.14Å |
| 244 | T | 89.2 | Confident | 93.3 | Very high | 53 Ų | 53 | 30.2 Ų | 30.2 | 33% | 0.325 | 19% | 0.187 | S | C | . | . | trans | -50 | 119.1 | 173.6 | -54.4 | 0 | 0 | 0 | 0 | 110.6 | V250 V287 S288 | T244-V250 HydrophobicContact CG2-CG1 3.8Å; T244-V250 HydrophobicContact CG2-CG2 4.17Å; T244-V287 HydrophobicContact CG2-CB 4.28Å; T244-V287 HydrophobicContact CG2-CG1 3.93Å; T244-V287 HydrophobicContact CG2-CG2 4.42Å; T244-S288 PolarHBondContact O-OG 3.14Å | ||
| 245 | V | 90.2 | Very high | 93.1 | Very high | 4 Ų | 4 | 28.5 Ų | 28.5 | 2% | 0.024 | 17% | 0.17 | C | C | . | . | B | Isolated β-bridge | trans | -111.9 | 131.3 | 170.8 | -170.3 | 0 | 0 | 0 | 0 | 107.7 | I47 M242 D243 T247 V250 S288 V290 Q293 | I47-V245 HydrophobicContact CD1-CG2 4.47Å; I47-V245 HydrophobicContact CG1-CG1 4.33Å; M242-V245 HydrophobicContact CB-CG2 3.91Å; M242-V245 HydrophobicContact CG-CG2 3.84Å; M242-V245 HydrophobicContact SD-CG2 3.44Å; M242-V245 WeakPolarHBondContact SD-CG2 3.35Å; D243-V245 WeakPolarHBondContact O-CG2 3.43Å; D243-V245 PolarHBondContact O-N 3.37Å; D243-V245 VanDerWaalsContact O-N 3.15Å; V245-T247 HydrophobicContact CB-CG2 4.09Å; V245-T247 HydrophobicContact CG1-CG2 3.92Å; V245-T247 PolarHBondContact O-N 3.41Å; V245-T247 PolarHBondContact O-OG1 3.38Å; V245-V250 WeakPolarHBondContact O-CG2 3.49Å; V245-S288 WeakPolarHBondContact CA-O 3.34Å; V245-V290 HydrophobicContact CG1-CG1 3.88Å; V245-Q293 HydrophobicContact CG1-CG 3.95Å; V245-Q293 HydrophobicContact CG2-CG 3.73Å |
| 246 | L | 86.4 | Confident | 92.8 | Very high | 114 Ų | 114 | 28.4 Ų | 28.4 | 60% | 0.597 | 17% | 0.169 | S | C | * | . | trans | -62.6 | 98.3 | 177.5 | -175.2 | 63.5 | 0 | 0 | 0 | 110.1 | V287 S288 | L246-V287 HydrophobicContact CB-CG2 4.03Å; L246-S288 PolarHBondContact N-O 3.06Å | ||
| 247 | T | 90.2 | Very high | 92.5 | Very high | 18 Ų | 18 | 28.1 Ų | 28.1 | 11% | 0.11 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -143.5 | 159.6 | -175.5 | 58.9 | 0 | 0 | 0 | 0 | 109.8 | I47 V245 L249 V250 T251 V290 | I47-T247 HydrophobicContact CD1-CG2 4.39Å; I47-T247 HydrophobicContact CG1-CG2 4.29Å; V245-T247 HydrophobicContact CB-CG2 4.09Å; V245-T247 HydrophobicContact CG1-CG2 3.92Å; V245-T247 PolarHBondContact O-N 3.41Å; V245-T247 PolarHBondContact O-OG1 3.38Å; T247-L249 PolarHBondContact O-N 2.9Å; T247-V250 PolarHBondContact O-N 3.38Å; T247-V250 PolarHBondContact OG1-N 3.18Å; T247-T251 PolarHBondContact O-N 2.79Å; T247-T251 VanDerWaalsContact O-N 3.15Å; T247-T251 PolarHBondContact O-OG1 3.3Å; T247-V290 HydrophobicContact CG2-CG1 3.65Å |
| 248 | G | 85.9 | Confident | 92.2 | Very high | 50 Ų | 50 | 34.2 Ų | 34.2 | 52% | 0.515 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -58.9 | -25.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | R252 | G248-R252 VanDerWaalsContact O-CB 3.23Å; G248-R252 WeakPolarHBondContact O-CB 3.3Å; G248-R252 PolarHBondContact O-N 3.04Å |
| 249 | L | 88.3 | Confident | 92 | Very high | 39 Ų | 39 | 37.1 Ų | 37.1 | 20% | 0.204 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.9 | -51.9 | 175 | -177.7 | 66.8 | 0 | 0 | 0 | 110.8 | M130 T247 R252 T253 | M130-L249 HydrophobicContact CE-CD2 4.04Å; M130-L249 HydrophobicContact CE-CG 4.31Å; M130-L249 HydrophobicContact CG-CD1 4.24Å; M130-L249 HydrophobicContact CG-CD2 4.28Å; M130-L249 HydrophobicContact CG-CG 4.34Å; M130-L249 HydrophobicContact SD-CD1 4.48Å; M130-L249 HydrophobicContact SD-CD2 4.37Å; M130-L249 HydrophobicContact SD-CG 4.14Å; T247-L249 PolarHBondContact O-N 2.9Å; L249-R252 PolarHBondContact O-N 3.3Å; L249-T253 WeakPolarHBondContact O-CB 3.46Å; L249-T253 PolarHBondContact O-N 2.9Å; L249-T253 PolarHBondContact O-OG1 3.41Å |
| 250 | V | 88 | Confident | 91.8 | Very high | 25 Ų | 25 | 37.3 Ų | 37.3 | 15% | 0.152 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63 | -44.9 | 179.3 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | T244 V245 T247 R252 T253 N254 | T244-V250 HydrophobicContact CG2-CG1 3.8Å; T244-V250 HydrophobicContact CG2-CG2 4.17Å; V245-V250 WeakPolarHBondContact O-CG2 3.49Å; T247-V250 PolarHBondContact O-N 3.38Å; T247-V250 PolarHBondContact OG1-N 3.18Å; V250-R252 VanDerWaalsContact C-N 3.33Å; V250-R252 PolarHBondContact O-N 3.04Å; V250-T253 PolarHBondContact O-N 3.12Å; V250-N254 WeakPolarHBondContact O-CB 3.28Å; V250-N254 PolarHBondContact O-N 3.47Å |
| 251 | T | 89.9 | Confident | 91.5 | Very high | 87 Ų | 87 | 40.4 Ų | 40.4 | 53% | 0.534 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59 | -45.4 | 177.7 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | T247 G255 | T247-T251 PolarHBondContact O-N 2.79Å; T247-T251 VanDerWaalsContact O-N 3.15Å; T247-T251 PolarHBondContact O-OG1 3.3Å; T251-G255 PolarHBondContact O-N 2.98Å |
| 252 | R | 91.2 | Very high | 91.3 | Very high | 29 Ų | 29 | 47 Ų | 47 | 11% | 0.109 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 177.2 | -177.8 | 179.2 | 167.6 | -77.5 | 6.8 | 111.6 | D131 G248 L249 V250 G255 L256 | D131-R252 VanDerWaalsContact CG-NH1 3.26Å; D131-R252 IonicContact OD1-CZ 3.56Å; D131-R252 IonicContact OD1-NH1 3.44Å; D131-R252 PolarHBondContact OD1-NH1 3.04Å; D131-R252 VanDerWaalsContact OD1-NH1 3.1Å; D131-R252 IonicContact OD1-NH2 3.47Å; D131-R252 PolarHBondContact OD1-NH2 3.33Å; D131-R252 IonicContact OD2-CZ 2.82Å; D131-R252 IonicContact OD2-NH1 2.94Å; D131-R252 PolarHBondContact OD2-NH1 2.91Å; D131-R252 IonicContact OD2-NH2 2.72Å; G248-R252 VanDerWaalsContact O-CB 3.23Å; G248-R252 WeakPolarHBondContact O-CB 3.3Å; G248-R252 PolarHBondContact O-N 3.04Å; L249-R252 PolarHBondContact O-N 3.3Å; V250-R252 VanDerWaalsContact C-N 3.33Å; V250-R252 PolarHBondContact O-N 3.04Å; R252-G255 PolarHBondContact O-N 3.1Å; R252-L256 WeakPolarHBondContact O-CB 3.17Å; R252-L256 PolarHBondContact O-N 2.88Å |
| 253 | T | 90.7 | Very high | 91.2 | Very high | 5 Ų | 5 | 48.2 Ų | 48.2 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 179.9 | -63.2 | 0 | 0 | 0 | 0 | 112.3 | M130 M152 L249 V250 G255 L256 Y257 | M130-T253 HydrophobicContact SD-CG2 3.62Å; M130-T253 PolarHBondContact SD-OG1 2.95Å; M152-T253 HydrophobicContact CE-CG2 3.8Å; L249-T253 WeakPolarHBondContact O-CB 3.46Å; L249-T253 PolarHBondContact O-N 2.9Å; L249-T253 PolarHBondContact O-OG1 3.41Å; V250-T253 PolarHBondContact O-N 3.12Å; T253-G255 VanDerWaalsContact C-N 3.34Å; T253-G255 PolarHBondContact O-N 3.18Å; T253-L256 PolarHBondContact O-N 3.37Å; T253-Y257 HydrophobicContact CG2-CD2 3.9Å; T253-Y257 HydrophobicContact CG2-CE2 3.53Å; T253-Y257 VanDerWaalsContact O-CD2 3.32Å; T253-Y257 WeakPolarHBondContact O-CD2 3.2Å; T253-Y257 PolarHBondContact O-N 2.97Å |
| 254 | N | 90.9 | Very high | 91 | Very high | 97 Ų | 97 | 50.2 Ų | 50.2 | 52% | 0.519 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 175.8 | -73 | -12.3 | 0 | 0 | 0 | 111.8 | V250 L256 Y257 K258 | V250-N254 WeakPolarHBondContact O-CB 3.28Å; V250-N254 PolarHBondContact O-N 3.47Å; N254-L256 VanDerWaalsContact C-N 3.35Å; N254-Y257 PolarHBondContact O-N 3.12Å; N254-K258 PolarHBondContact O-N 3.48Å |
| 255 | G | 93.4 | Very high | 91 | Very high | 16 Ų | 16 | 49.6 Ų | 49.6 | 17% | 0.165 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | T251 R252 T253 K258 K259 | T251-G255 PolarHBondContact O-N 2.98Å; R252-G255 PolarHBondContact O-N 3.1Å; T253-G255 VanDerWaalsContact C-N 3.34Å; T253-G255 PolarHBondContact O-N 3.18Å; G255-K258 WeakPolarHBondContact O-CB 3.33Å; G255-K258 PolarHBondContact O-N 3.15Å; G255-K259 PolarHBondContact O-N 2.87Å; G255-K259 VanDerWaalsContact O-N 3.11Å |
| 256 | L | 93.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 175.7 | -175.7 | 60.2 | 0 | 0 | 0 | 111.1 | D131 I133 L139 I142 V144 V151 M152 R252 T253 N254 K258 K259 M260 | D131-L256 HydrophobicContact CB-CD2 4.36Å; I133-L256 HydrophobicContact CD1-CD1 4.01Å; I133-L256 HydrophobicContact CD1-CD2 4.05Å; L139-L256 HydrophobicContact CD1-CB 4.46Å; I142-L256 HydrophobicContact CG2-CD1 3.84Å; V144-L256 HydrophobicContact CG1-CD1 3.59Å; V151-L256 HydrophobicContact CG1-CD1 3.95Å; V151-L256 HydrophobicContact CG1-CD2 4.13Å; V151-L256 HydrophobicContact CG1-CG 4.35Å; M152-L256 HydrophobicContact CE-CD2 4.13Å; M152-L256 HydrophobicContact SD-CD2 3.91Å; R252-L256 WeakPolarHBondContact O-CB 3.17Å; R252-L256 PolarHBondContact O-N 2.88Å; T253-L256 PolarHBondContact O-N 3.37Å; N254-L256 VanDerWaalsContact C-N 3.35Å; L256-K258 VanDerWaalsContact C-N 3.3Å; L256-K258 PolarHBondContact O-N 3.35Å; L256-K259 PolarHBondContact O-N 3.01Å; L256-M260 HydrophobicContact CG-SD 4.3Å; L256-M260 VanDerWaalsContact O-CG 3.31Å; L256-M260 WeakPolarHBondContact O-CG 3.41Å; L256-M260 PolarHBondContact O-N 3.06Å |
| 257 | Y | 91.8 | Very high | 90.6 | Very high | 23 Ų | 23 | 52.6 Ų | 52.6 | 9% | 0.09 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.2 | -42.3 | 174.7 | -79.9 | -45.9 | 0 | 0 | 0 | 112.9 | M152 M209 T253 N254 M260 I261 | M152-Y257 HydrophobicContact CE-CD1 3.92Å; M152-Y257 HydrophobicContact CE-CD2 4.36Å; M152-Y257 HydrophobicContact CE-CE1 3.27Å; M152-Y257 HydrophobicContact CE-CE2 3.84Å; M152-Y257 HydrophobicContact CE-CG 4.4Å; M152-Y257 WeakPolarHBondContact CE-OH 3.29Å; M209-Y257 WeakPolarHBondContact CG-OH 3.23Å; M209-Y257 PolarHBondContact SD-OH 3.5Å; T253-Y257 HydrophobicContact CG2-CD2 3.9Å; T253-Y257 HydrophobicContact CG2-CE2 3.53Å; T253-Y257 VanDerWaalsContact O-CD2 3.32Å; T253-Y257 WeakPolarHBondContact O-CD2 3.2Å; T253-Y257 PolarHBondContact O-N 2.97Å; N254-Y257 PolarHBondContact O-N 3.12Å; Y257-M260 HydrophobicContact CD1-SD 4.31Å; Y257-M260 PolarHBondContact O-N 3.31Å; Y257-I261 WeakPolarHBondContact O-CG1 3.45Å; Y257-I261 PolarHBondContact O-N 3.28Å |
| 258 | K | 93.8 | Very high | 90 | Very high | 128 Ų | 128 | 55.5 Ų | 55.5 | 56% | 0.557 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -58.3 | -49.6 | 175.9 | -178.2 | 179.3 | 170.8 | -177.5 | 0 | 111.2 | N254 G255 L256 M260 I261 E262 | N254-K258 PolarHBondContact O-N 3.48Å; G255-K258 WeakPolarHBondContact O-CB 3.33Å; G255-K258 PolarHBondContact O-N 3.15Å; L256-K258 VanDerWaalsContact C-N 3.3Å; L256-K258 PolarHBondContact O-N 3.35Å; K258-M260 VanDerWaalsContact C-N 3.33Å; K258-M260 PolarHBondContact O-N 2.89Å; K258-I261 PolarHBondContact O-N 2.91Å; K258-E262 WeakPolarHBondContact CE-OE1 3.43Å; K258-E262 IonicContact NZ-OE1 3.89Å; K258-E262 WeakPolarHBondContact O-CG 3.45Å; K258-E262 PolarHBondContact O-N 3.33Å |
| 259 | K | 95.1 | Very high | 89.1 | Confident | 61 Ų | 61 | 55.6 Ų | 55.6 | 27% | 0.265 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.4 | -41.7 | 176.3 | -76.1 | 177.7 | 170 | -115.8 | 0 | 112.4 | L139 E140 I142 V144 G255 L256 E262 A263 | L139-K259 HydrophobicContact CD1-CD 4.26Å; L139-K259 WeakPolarHBondContact O-CE 3.4Å; L139-K259 PolarHBondContact O-NZ 2.9Å; E140-K259 PolarHBondContact O-NZ 3.17Å; I142-K259 PolarHBondContact O-NZ 3.49Å; V144-K259 HydrophobicContact CG1-CB 3.77Å; V144-K259 HydrophobicContact CG2-CB 4.32Å; G255-K259 PolarHBondContact O-N 2.87Å; G255-K259 VanDerWaalsContact O-N 3.11Å; L256-K259 PolarHBondContact O-N 3.01Å; K259-E262 PolarHBondContact O-N 2.65Å; K259-A263 WeakPolarHBondContact O-CB 3.27Å; K259-A263 PolarHBondContact O-N 3.27Å |
| 260 | M | 93.2 | Very high | 88.1 | Confident | 4 Ų | 4 | 63.4 Ų | 63.4 | 2% | 0.02 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65 | -39.4 | 178.6 | -67.3 | 175 | 71.6 | 0 | 0 | 112.8 | V144 V151 M152 L256 Y257 K258 A263 G264 L265 R266 | V144-M260 HydrophobicContact CB-CG 4.34Å; V144-M260 HydrophobicContact CG1-CG 4.04Å; V151-M260 HydrophobicContact CB-CE 3.97Å; V151-M260 HydrophobicContact CB-SD 3.85Å; V151-M260 HydrophobicContact CG1-SD 4.43Å; V151-M260 HydrophobicContact CG2-CE 3.5Å; V151-M260 VanDerWaalsContact CG2-CE 3.5Å; V151-M260 HydrophobicContact CG2-SD 3.98Å; M152-M260 WeakPolarHBondContact O-CE 3.38Å; L256-M260 HydrophobicContact CG-SD 4.3Å; L256-M260 VanDerWaalsContact O-CG 3.31Å; L256-M260 WeakPolarHBondContact O-CG 3.41Å; L256-M260 PolarHBondContact O-N 3.06Å; Y257-M260 HydrophobicContact CD1-SD 4.31Å; Y257-M260 PolarHBondContact O-N 3.31Å; K258-M260 VanDerWaalsContact C-N 3.33Å; K258-M260 PolarHBondContact O-N 2.89Å; M260-A263 PolarHBondContact O-N 3.01Å; M260-G264 PolarHBondContact O-N 3.45Å; M260-L265 HydrophobicContact CB-CB 4.39Å; M260-L265 PolarHBondContact O-N 3.22Å; M260-R266 HydrophobicContact CB-CB 3.96Å; M260-R266 HydrophobicContact CE-CB 4.23Å; M260-R266 PolarHBondContact O-N 3.47Å |
| 261 | I | 92.5 | Very high | 87.4 | Confident | 65 Ų | 65 | 66 Ų | 66 | 33% | 0.333 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.2 | -46.7 | 176.1 | -67.8 | 163.8 | 0 | 0 | 0 | 110.3 | Y257 K258 A263 G264 R266 P268 | Y257-I261 WeakPolarHBondContact O-CG1 3.45Å; Y257-I261 PolarHBondContact O-N 3.28Å; K258-I261 PolarHBondContact O-N 2.91Å; I261-A263 PolarHBondContact O-N 2.87Å; I261-G264 PolarHBondContact O-N 3.42Å; I261-R266 WeakPolarHBondContact CA-O 3.23Å; I261-R266 HydrophobicContact CG1-CB 4.45Å; I261-R266 WeakPolarHBondContact CG1-O 3.27Å; I261-P268 HydrophobicContact CG2-CG 4.12Å |
| 262 | E | 94.4 | Very high | 86.9 | Confident | 138 Ų | 138 | 70.8 Ų | 70.8 | 65% | 0.645 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61.8 | -31.1 | 178.3 | -71.4 | 170.8 | 171.4 | 0 | 0 | 112.5 | K258 K259 | K258-E262 WeakPolarHBondContact CE-OE1 3.43Å; K258-E262 IonicContact NZ-OE1 3.89Å; K258-E262 WeakPolarHBondContact O-CG 3.45Å; K258-E262 PolarHBondContact O-N 3.33Å; K259-E262 PolarHBondContact O-N 2.65Å |
| 263 | A | 93.3 | Very high | 86.5 | Confident | 37 Ų | 37 | 71.9 Ų | 71.9 | 31% | 0.306 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -4.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | V144 K259 M260 I261 L265 | V144-A263 HydrophobicContact CG2-CB 3.65Å; K259-A263 WeakPolarHBondContact O-CB 3.27Å; K259-A263 PolarHBondContact O-N 3.27Å; M260-A263 PolarHBondContact O-N 3.01Å; I261-A263 PolarHBondContact O-N 2.87Å; A263-L265 HydrophobicContact CB-CD1 4.23Å; A263-L265 HydrophobicContact CB-CG 4.11Å; A263-L265 PolarHBondContact O-N 3.48Å |
| 264 | G | 90.8 | Very high | 86.3 | Confident | 62 Ų | 62 | 76 Ų | 76 | 64% | 0.639 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.1 | 11.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | M260 I261 R266 | M260-G264 PolarHBondContact O-N 3.45Å; I261-G264 PolarHBondContact O-N 3.42Å; G264-R266 VanDerWaalsContact C-N 3.31Å |
| 265 | L | 87.7 | Confident | 86.4 | Confident | 40 Ų | 40 | 74.7 Ų | 74.7 | 21% | 0.209 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -81.5 | -13.4 | 176.9 | -62.3 | 176.2 | 0 | 0 | 0 | 112.6 | V144 E148 M260 A263 | V144-L265 HydrophobicContact CB-CD1 3.9Å; V144-L265 HydrophobicContact CG2-CD1 3.85Å; V144-L265 VanDerWaalsContact O-CD1 3.23Å; V144-L265 WeakPolarHBondContact O-CD1 3.42Å; E148-L265 HydrophobicContact CG-CD1 4.38Å; E148-L265 HydrophobicContact CG-CD2 4.21Å; M260-L265 HydrophobicContact CB-CB 4.39Å; M260-L265 PolarHBondContact O-N 3.22Å; A263-L265 HydrophobicContact CB-CD1 4.23Å; A263-L265 HydrophobicContact CB-CG 4.11Å; A263-L265 PolarHBondContact O-N 3.48Å |
| 266 | R | 85.3 | Confident | 86.5 | Confident | 23 Ų | 23 | 74.3 Ų | 74.3 | 9% | 0.087 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -149.5 | 132.6 | -179.3 | -172.3 | 171.8 | -178.9 | 123.9 | -4.2 | 111.3 | M152 A207 G208 M260 I261 G264 N269 | M152-R266 PolarHBondContact O-NH1 3.29Å; A207-R266 PolarHBondContact O-NH2 2.98Å; G208-R266 PolarHBondContact O-NH1 2.8Å; M260-R266 HydrophobicContact CB-CB 3.96Å; M260-R266 HydrophobicContact CE-CB 4.23Å; M260-R266 PolarHBondContact O-N 3.47Å; I261-R266 WeakPolarHBondContact CA-O 3.23Å; I261-R266 HydrophobicContact CG1-CB 4.45Å; I261-R266 WeakPolarHBondContact CG1-O 3.27Å; G264-R266 VanDerWaalsContact C-N 3.31Å; R266-N269 VanDerWaalsContact CZ-OD1 3.26Å; R266-N269 PolarHBondContact NE-OD1 3.49Å; R266-N269 PolarHBondContact NH2-ND2 2.9Å; R266-N269 PolarHBondContact NH2-OD1 2.94Å |
| 267 | E | 82.8 | Confident | 86.6 | Confident | 157 Ų | 157 | 78.4 Ų | 78.4 | 73% | 0.734 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 144.6 | 168.5 | -67.7 | -60.5 | 146.1 | 0 | 0 | 111 | N269 | E267-N269 PolarHBondContact O-N 2.89Š|
| 268 | P | 78.1 | Confident | 86.8 | Confident | 80 Ų | 80 | 81.2 Ų | 81.2 | 52% | 0.519 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -49.5 | 126.2 | 170.8 | -25.8 | 33.8 | 0 | 0 | 0 | 111 | I261 K270 | I261-P268 HydrophobicContact CG2-CG 4.12Å; P268-K270 PolarHBondContact O-N 2.81Å; P268-K270 VanDerWaalsContact O-N 3.15Å |
| 269 | N | 67.8 | Low | 86.8 | Confident | 51 Ų | 51 | 76.4 Ų | 76.4 | 27% | 0.273 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 121.6 | -173 | -72.4 | -23.6 | 0 | 0 | 0 | 111.3 | R266 E267 H271 | R266-N269 VanDerWaalsContact CZ-OD1 3.26Å; R266-N269 PolarHBondContact NE-OD1 3.49Å; R266-N269 PolarHBondContact NH2-ND2 2.9Å; R266-N269 PolarHBondContact NH2-OD1 2.94Å; E267-N269 PolarHBondContact O-N 2.89Å; N269-H271 WeakPolarHBondContact CB-CD2 3.46Å; N269-H271 VanDerWaalsContact CB-NE2 3.28Å; N269-H271 WeakPolarHBondContact CB-NE2 3.48Å; N269-H271 PolarHBondContact ND2-CE1 3.07Å; N269-H271 PolarHBondContact ND2-NE2 2.88Å; N269-H271 PolarHBondContact O-N 3.47Å; N269-H271 VanDerWaalsContact O-N 3.07Å |
| 270 | K | 67.5 | Low | 86.8 | Confident | 204 Ų | 204 | 75.9 Ų | 75.9 | 89% | 0.887 | 41% | 0.409 | S | S | * | . | trans | -82.3 | 64 | 163 | -63.8 | -176.8 | -176.5 | 177.5 | 0 | 109.6 | P268 L272 | P268-K270 PolarHBondContact O-N 2.81Å; P268-K270 VanDerWaalsContact O-N 3.15Å; K270-L272 PolarHBondContact O-N 3.15Å | ||
| 271 | H | 71.9 | Confident | 86.8 | Confident | 80 Ų | 80 | 78.4 Ų | 78.4 | 37% | 0.37 | 43% | 0.43 | S | S | . | . | trans | -62.3 | 122.3 | 173.6 | -71.3 | -61.2 | 0 | 0 | 0 | 109.1 | N269 K273 T274 | N269-H271 WeakPolarHBondContact CB-CD2 3.46Å; N269-H271 VanDerWaalsContact CB-NE2 3.28Å; N269-H271 WeakPolarHBondContact CB-NE2 3.48Å; N269-H271 PolarHBondContact ND2-CE1 3.07Å; N269-H271 PolarHBondContact ND2-NE2 2.88Å; N269-H271 PolarHBondContact O-N 3.47Å; N269-H271 VanDerWaalsContact O-N 3.07Å; H271-K273 PolarHBondContact O-N 3.44Å; H271-T274 HydrophobicContact CB-CG2 3.51Å | ||
| 272 | L | 78.9 | Confident | 86.9 | Confident | 187 Ų | 187 | 75.7 Ų | 75.7 | 98% | 0.979 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -61.5 | -27.5 | 171.8 | -67.1 | 174.9 | 0 | 0 | 0 | 111.5 | K270 | K270-L272 PolarHBondContact O-N 3.15Š|
| 273 | K | 84.2 | Confident | 86.9 | Confident | 51 Ų | 51 | 72.9 Ų | 72.9 | 22% | 0.222 | 41% | 0.412 | C | S | . | . | trans | -148.2 | 131.6 | -178.9 | -179.3 | 176.8 | -177.4 | 164.1 | 0 | 110.1 | H271 F319 F322 | H271-K273 PolarHBondContact O-N 3.44Å; K273-F319 HydrophobicContact CD-CE1 4.43Å; K273-F319 HydrophobicContact CD-CE2 4.34Å; K273-F319 HydrophobicContact CD-CZ 4.18Å; K273-F319 WeakPolarHBondContact CE-O 3.46Å; K273-F319 HydrophobicContact CG-CE2 4.05Å; K273-F319 HydrophobicContact CG-CZ 4.07Å; K273-F319 PolarHBondContact NZ-O 2.89Å; K273-F322 HydrophobicContact CD-CE2 4.02Å; K273-F322 HydrophobicContact CD-CZ 4.04Å; K273-F322 VanDerWaalsContact CE-CE1 3.42Å; K273-F322 VanDerWaalsContact CE-CE2 3.49Å; K273-F322 PolarHBondContact NZ-O 3.46Å | ||
| 274 | T | 86.4 | Confident | 86.9 | Confident | 91 Ų | 91 | 77.4 Ų | 77.4 | 56% | 0.558 | 43% | 0.431 | S | S | * | . | trans | -123.1 | -12.8 | -176.6 | 52.9 | 0 | 0 | 0 | 0 | 114.2 | H271 | H271-T274 HydrophobicContact CB-CG2 3.51Š| ||
| 275 | M | 92.4 | Very high | 87 | Confident | 71 Ų | 71 | 79 Ų | 79 | 35% | 0.35 | 42% | 0.42 | S | S | . | . | trans | -132.8 | 147.5 | -176.3 | -65.1 | -174.2 | -73.2 | 0 | 0 | 111.8 | Q279 A280 K285 | M275-Q279 HydrophobicContact CB-CB 4.25Å; M275-Q279 HydrophobicContact CB-CG 4.21Å; M275-Q279 HydrophobicContact CG-CG 4.08Å; M275-Q279 HydrophobicContact SD-CG 4.23Å; M275-A280 HydrophobicContact CB-CB 4.49Å; M275-K285 HydrophobicContact SD-CD 4.25Å | ||
| 276 | S | 95.2 | Very high | 87.3 | Confident | 8 Ų | 8 | 79.9 Ų | 79.9 | 6% | 0.056 | 42% | 0.421 | C | S | . | . | trans | -76.7 | 169.6 | 166.7 | 69.1 | 0 | 0 | 0 | 0 | 111.6 | Q279 A280 D316 G317 | S276-Q279 PolarHBondContact O-N 3.18Å; S276-Q279 VanDerWaalsContact OG-CB 3.28Å; S276-Q279 WeakPolarHBondContact OG-CB 3.25Å; S276-Q279 PolarHBondContact OG-N 2.99Å; S276-Q279 VanDerWaalsContact OG-N 3.16Å; S276-A280 WeakPolarHBondContact O-CB 3.03Å; S276-A280 PolarHBondContact O-N 3.49Å; S276-D316 WeakPolarHBondContact CB-O 3.34Å; S276-G317 WeakPolarHBondContact CB-O 3.23Å | ||
| 277 | I | 95.6 | Very high | 87.7 | Confident | 86 Ų | 86 | 80.6 Ų | 80.6 | 44% | 0.441 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60 | -49.2 | 176.9 | -59.8 | 178.1 | 0 | 0 | 0 | 110 | Q279 A280 A281 G317 A321 F322 | I277-Q279 VanDerWaalsContact C-N 3.33Å; I277-Q279 PolarHBondContact O-N 3.45Å; I277-A280 PolarHBondContact O-N 3.13Å; I277-A281 WeakPolarHBondContact O-CB 3.33Å; I277-A281 PolarHBondContact O-N 3.33Å; I277-G317 PolarHBondContact N-O 3.46Å; I277-A321 HydrophobicContact CD1-CB 4.1Å; I277-F322 HydrophobicContact CD1-CD1 3.95Å; I277-F322 HydrophobicContact CD1-CE1 4.21Å; I277-F322 HydrophobicContact CG1-CD1 3.78Å; I277-F322 HydrophobicContact CG1-CE1 3.5Å |
| 278 | L | 95.3 | Very high | 88.3 | Confident | 81 Ų | 81 | 74.2 Ų | 74.2 | 42% | 0.424 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.4 | -39.3 | -179.8 | -67.4 | -171.7 | 0 | 0 | 0 | 111.7 | V20 A281 D282 G317 | V20-L278 HydrophobicContact CG2-CD2 3.9Å; L278-A281 PolarHBondContact O-N 3.45Å; L278-D282 VanDerWaalsContact O-CB 3.24Å; L278-D282 WeakPolarHBondContact O-CB 3.25Å; L278-D282 PolarHBondContact O-N 3.35Å; L278-G317 PolarHBondContact N-O 3.21Å |
| 279 | Q | 94.9 | Very high | 89.1 | Confident | 28 Ų | 28 | 71.5 Ų | 71.5 | 13% | 0.131 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 175.5 | -174.5 | 177.1 | 21.9 | 0 | 0 | 111.6 | M275 S276 I277 A281 K285 | M275-Q279 HydrophobicContact CB-CB 4.25Å; M275-Q279 HydrophobicContact CB-CG 4.21Å; M275-Q279 HydrophobicContact CG-CG 4.08Å; M275-Q279 HydrophobicContact SD-CG 4.23Å; S276-Q279 PolarHBondContact O-N 3.18Å; S276-Q279 VanDerWaalsContact OG-CB 3.28Å; S276-Q279 WeakPolarHBondContact OG-CB 3.25Å; S276-Q279 PolarHBondContact OG-N 2.99Å; S276-Q279 VanDerWaalsContact OG-N 3.16Å; I277-Q279 VanDerWaalsContact C-N 3.33Å; I277-Q279 PolarHBondContact O-N 3.45Å; Q279-A281 VanDerWaalsContact C-N 3.31Å; Q279-A281 PolarHBondContact O-N 2.89Å; Q279-K285 HydrophobicContact CG-CB 4.25Å; Q279-K285 WeakPolarHBondContact CG-O 3.32Å; Q279-K285 PolarHBondContact NE2-O 3.18Å; Q279-K285 VanDerWaalsContact NE2-O 3.12Å; Q279-K285 WeakPolarHBondContact O-CA 3.25Å; Q279-K285 WeakPolarHBondContact O-CD 3.28Å |
| 280 | A | 94.2 | Very high | 90.5 | Very high | 49 Ų | 49 | 70.1 Ų | 70.1 | 41% | 0.405 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.6 | -33.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | M275 S276 I277 K285 | M275-A280 HydrophobicContact CB-CB 4.49Å; S276-A280 WeakPolarHBondContact O-CB 3.03Å; S276-A280 PolarHBondContact O-N 3.49Å; I277-A280 PolarHBondContact O-N 3.13Å; A280-K285 PolarHBondContact O-NZ 2.89Å |
| 281 | A | 93.8 | Very high | 91.9 | Very high | 57 Ų | 57 | 63.1 Ų | 63.1 | 47% | 0.471 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -80 | -31.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | I277 L278 Q279 | I277-A281 WeakPolarHBondContact O-CB 3.33Å; I277-A281 PolarHBondContact O-N 3.33Å; L278-A281 PolarHBondContact O-N 3.45Å; Q279-A281 VanDerWaalsContact C-N 3.31Å; Q279-A281 PolarHBondContact O-N 2.89Å |
| 282 | D | 94.1 | Very high | 93.1 | Very high | 9 Ų | 9 | 61.1 Ų | 61.1 | 5% | 0.048 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -65.9 | 135.4 | -177.6 | -175.6 | -90.9 | 0 | 0 | 0 | 111.7 | D19 L278 N284 K285 R286 | D19-D282 WeakPolarHBondContact OD1-CA 3.38Å; L278-D282 VanDerWaalsContact O-CB 3.24Å; L278-D282 WeakPolarHBondContact O-CB 3.25Å; L278-D282 PolarHBondContact O-N 3.35Å; D282-N284 PolarHBondContact O-N 2.87Å; D282-N284 VanDerWaalsContact OD1-C 3.31Å; D282-N284 WeakPolarHBondContact OD1-CA 3.03Å; D282-N284 WeakPolarHBondContact OD1-CB 3.32Å; D282-N284 PolarHBondContact OD1-N 2.94Å; D282-K285 WeakPolarHBondContact O-CD 3.3Å; D282-K285 WeakPolarHBondContact O-CE 3.3Å; D282-K285 PolarHBondContact O-N 2.9Å; D282-K285 PolarHBondContact O-NZ 3.13Å; D282-K285 PolarHBondContact OD1-N 2.75Å; D282-R286 HydrophobicContact CB-CG 4.4Å; D282-R286 PolarHBondContact OD1-N 3.48Å; D282-R286 VanDerWaalsContact OD1-N 3.09Å; D282-R286 WeakPolarHBondContact OD2-CD 3.27Å; D282-R286 WeakPolarHBondContact OD2-CG 3.43Å; D282-R286 IonicContact OD2-NE 3.81Å; D282-R286 PolarHBondContact OD2-NE 2.82Å |
| 283 | S | 94.1 | Very high | 94 | Very high | 78 Ų | 78 | 52.2 Ų | 52.2 | 55% | 0.545 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -29.9 | -178.9 | 69.5 | 0 | 0 | 0 | 0 | 113.1 | D19 | D19-S283 PolarHBondContact OD1-N 2.94Å; D19-S283 WeakPolarHBondContact OD2-CB 3.3Å; D19-S283 PolarHBondContact OD2-OG 3.42Å |
| 284 | N | 93.8 | Very high | 94.6 | Very high | 132 Ų | 132 | 49.8 Ų | 49.8 | 71% | 0.706 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | 4.2 | 180 | -62 | -68.9 | 0 | 0 | 0 | 113.1 | D282 R286 | D282-N284 PolarHBondContact O-N 2.87Å; D282-N284 VanDerWaalsContact OD1-C 3.31Å; D282-N284 WeakPolarHBondContact OD1-CA 3.03Å; D282-N284 WeakPolarHBondContact OD1-CB 3.32Å; D282-N284 PolarHBondContact OD1-N 2.94Å; N284-R286 PolarHBondContact O-N 3.01Å; N284-R286 VanDerWaalsContact O-N 3.16Å |
| 285 | K | 93.7 | Very high | 95.1 | Very high | 95 Ų | 95 | 47.1 Ų | 47.1 | 41% | 0.413 | 26% | 0.263 | S | S | . | . | trans | 51.1 | 37.1 | -175.7 | -50.7 | -58 | 169.5 | -143.3 | 0 | 112.6 | M275 Q279 A280 D282 | M275-K285 HydrophobicContact SD-CD 4.25Å; Q279-K285 HydrophobicContact CG-CB 4.25Å; Q279-K285 WeakPolarHBondContact CG-O 3.32Å; Q279-K285 PolarHBondContact NE2-O 3.18Å; Q279-K285 VanDerWaalsContact NE2-O 3.12Å; Q279-K285 WeakPolarHBondContact O-CA 3.25Å; Q279-K285 WeakPolarHBondContact O-CD 3.28Å; A280-K285 PolarHBondContact O-NZ 2.89Å; D282-K285 WeakPolarHBondContact O-CD 3.3Å; D282-K285 WeakPolarHBondContact O-CE 3.3Å; D282-K285 PolarHBondContact O-N 2.9Å; D282-K285 PolarHBondContact O-NZ 3.13Å; D282-K285 PolarHBondContact OD1-N 2.75Å | ||
| 286 | R | 93.5 | Very high | 95.4 | Very high | 60 Ų | 60 | 47.6 Ų | 47.6 | 23% | 0.226 | 26% | 0.261 | C | S | . | . | trans | -63.6 | 148.8 | -176.5 | 81.1 | -178.5 | -174.3 | 83.9 | -8.9 | 111.3 | V20 D282 N284 E292 | V20-R286 PolarHBondContact O-NH2 2.8Å; D282-R286 HydrophobicContact CB-CG 4.4Å; D282-R286 PolarHBondContact OD1-N 3.48Å; D282-R286 VanDerWaalsContact OD1-N 3.09Å; D282-R286 WeakPolarHBondContact OD2-CD 3.27Å; D282-R286 WeakPolarHBondContact OD2-CG 3.43Å; D282-R286 IonicContact OD2-NE 3.81Å; D282-R286 PolarHBondContact OD2-NE 2.82Å; N284-R286 PolarHBondContact O-N 3.01Å; N284-R286 VanDerWaalsContact O-N 3.16Å; R286-E292 IonicContact CZ-OE1 2.96Å; R286-E292 IonicContact NH1-OE1 3.69Å; R286-E292 PolarHBondContact NH1-OE1 3.26Å; R286-E292 IonicContact NH1-OE2 3.03Å; R286-E292 PolarHBondContact NH1-OE2 2.67Å; R286-E292 IonicContact NH2-OE1 2.71Å; R286-E292 PolarHBondContact NH2-OE1 2.79Å | ||
| 287 | V | 93.6 | Very high | 95.6 | Very high | 37 Ų | 37 | 47.2 Ų | 47.2 | 22% | 0.224 | 26% | 0.259 | C | S | . | . | trans | -94.8 | 174.5 | 165 | -62 | 0 | 0 | 0 | 0 | 110.3 | T244 L246 | T244-V287 HydrophobicContact CG2-CB 4.28Å; T244-V287 HydrophobicContact CG2-CG1 3.93Å; T244-V287 HydrophobicContact CG2-CG2 4.42Å; L246-V287 HydrophobicContact CB-CG2 4.03Å | ||
| 288 | S | 94.9 | Very high | 95.7 | Very high | 24 Ų | 24 | 43.1 Ų | 43.1 | 17% | 0.168 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -70 | 146.9 | 176.1 | 71.3 | 0 | 0 | 0 | 0 | 112.2 | T244 V245 L246 E292 Q293 | T244-S288 PolarHBondContact O-OG 3.14Å; V245-S288 WeakPolarHBondContact CA-O 3.34Å; L246-S288 PolarHBondContact N-O 3.06Å; S288-E292 WeakPolarHBondContact CA-OE2 3.36Å; S288-Q293 PolarHBondContact OG-NE2 3.24Å |
| 289 | T | 95.4 | Very high | 95.9 | Very high | 23 Ų | 23 | 42.4 Ų | 42.4 | 14% | 0.141 | 23% | 0.231 | C | C | . | . | trans | -88.2 | 160.6 | 173.3 | 64.5 | 0 | 0 | 0 | 0 | 111 | W291 E292 Q293 | T289-W291 PolarHBondContact O-N 3.37Å; T289-E292 PolarHBondContact N-OE2 2.66Å; T289-E292 PolarHBondContact O-N 3.4Å; T289-E292 WeakPolarHBondContact OG1-CG 3.5Å; T289-E292 PolarHBondContact OG1-N 2.92Å; T289-E292 PolarHBondContact OG1-OE2 3.1Å; T289-Q293 WeakPolarHBondContact O-CG 3.42Å; T289-Q293 PolarHBondContact O-N 3.3Å | ||
| 290 | V | 96.7 | Very high | 96.1 | Very high | 22 Ų | 22 | 41.1 Ų | 41.1 | 13% | 0.133 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.9 | -25 | 173.6 | -65.3 | 0 | 0 | 0 | 0 | 113.1 | I47 A50 V245 T247 Q293 A294 | I47-V290 HydrophobicContact CG1-CG1 4.44Å; A50-V290 HydrophobicContact CB-CB 3.59Å; A50-V290 HydrophobicContact CB-CG2 3.62Å; V245-V290 HydrophobicContact CG1-CG1 3.88Å; T247-V290 HydrophobicContact CG2-CG1 3.65Å; V290-Q293 PolarHBondContact O-N 3.24Å; V290-A294 WeakPolarHBondContact O-CB 3.47Å; V290-A294 PolarHBondContact O-N 3.2Å |
| 291 | W | 97 | Very high | 96.3 | Very high | 56 Ų | 56 | 39.3 Ų | 39.3 | 21% | 0.212 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -77.5 | -37.9 | -178.1 | -50.7 | 116.2 | 0 | 0 | 0 | 112.8 | L23 D25 A50 I53 T289 Q293 A294 S295 | L23-W291 WeakPolarHBondContact CD2-O 3.28Å; D25-W291 VanDerWaalsContact CA-CD1 3.48Å; D25-W291 HydrophobicContact CB-CD2 4.38Å; D25-W291 HydrophobicContact CB-CG 4.15Å; D25-W291 VanDerWaalsContact CB-NE1 3.34Å; D25-W291 PolarHBondContact OD2-NE1 3.44Å; A50-W291 HydrophobicContact CB-CE3 3.89Å; A50-W291 HydrophobicContact CB-CH2 4.42Å; A50-W291 HydrophobicContact CB-CZ3 3.84Å; I53-W291 HydrophobicContact CB-CH2 4.26Å; I53-W291 HydrophobicContact CB-CZ3 4.13Å; I53-W291 HydrophobicContact CG2-CH2 3.92Å; I53-W291 HydrophobicContact CG2-CZ3 3.92Å; T289-W291 PolarHBondContact O-N 3.37Å; W291-Q293 VanDerWaalsContact C-N 3.26Å; W291-Q293 PolarHBondContact O-N 3.11Å; W291-A294 PolarHBondContact O-N 3.32Å; W291-S295 PolarHBondContact O-N 2.6Å |
| 292 | E | 96.7 | Very high | 96.5 | Very high | 38 Ų | 38 | 37 Ų | 37 | 18% | 0.178 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.2 | -42.2 | 169.8 | -72.5 | 163.6 | 127.9 | 0 | 0 | 109.9 | L23 R286 S288 T289 S295 Y296 | L23-E292 HydrophobicContact CB-CG 3.75Å; R286-E292 IonicContact CZ-OE1 2.96Å; R286-E292 IonicContact NH1-OE1 3.69Å; R286-E292 PolarHBondContact NH1-OE1 3.26Å; R286-E292 IonicContact NH1-OE2 3.03Å; R286-E292 PolarHBondContact NH1-OE2 2.67Å; R286-E292 IonicContact NH2-OE1 2.71Å; R286-E292 PolarHBondContact NH2-OE1 2.79Å; S288-E292 WeakPolarHBondContact CA-OE2 3.36Å; T289-E292 PolarHBondContact N-OE2 2.66Å; T289-E292 PolarHBondContact O-N 3.4Å; T289-E292 WeakPolarHBondContact OG1-CG 3.5Å; T289-E292 PolarHBondContact OG1-N 2.92Å; T289-E292 PolarHBondContact OG1-OE2 3.1Å; E292-S295 WeakPolarHBondContact O-CB 2.88Å; E292-S295 PolarHBondContact O-N 3.22Å; E292-Y296 PolarHBondContact O-N 3.4Å |
| 293 | Q | 97.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.7 | -42.9 | 177.1 | -56 | -56.3 | -23.9 | 0 | 0 | 112.7 | V245 S288 T289 V290 W291 S295 Y296 I297 S315 | V245-Q293 HydrophobicContact CG1-CG 3.95Å; V245-Q293 HydrophobicContact CG2-CG 3.73Å; S288-Q293 PolarHBondContact OG-NE2 3.24Å; T289-Q293 WeakPolarHBondContact O-CG 3.42Å; T289-Q293 PolarHBondContact O-N 3.3Å; V290-Q293 PolarHBondContact O-N 3.24Å; W291-Q293 VanDerWaalsContact C-N 3.26Å; W291-Q293 PolarHBondContact O-N 3.11Å; Q293-S295 PolarHBondContact O-N 3.36Å; Q293-Y296 PolarHBondContact O-N 2.95Å; Q293-I297 VanDerWaalsContact O-CG1 3.29Å; Q293-I297 WeakPolarHBondContact O-CG1 3.39Å; Q293-I297 PolarHBondContact O-N 3.07Å; Q293-S315 PolarHBondContact NE2-O 3.32Å; Q293-S315 VanDerWaalsContact NE2-O 3.16Å; Q293-S315 PolarHBondContact NE2-OG 2.93Å; Q293-S315 PolarHBondContact OE1-OG 3.38Å |
| 294 | A | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.3 | -38.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A50 V290 W291 Y296 I297 L298 | A50-A294 HydrophobicContact CB-CB 4.23Å; V290-A294 WeakPolarHBondContact O-CB 3.47Å; V290-A294 PolarHBondContact O-N 3.2Å; W291-A294 PolarHBondContact O-N 3.32Å; A294-Y296 PolarHBondContact O-N 2.8Å; A294-I297 PolarHBondContact O-N 3.47Å; A294-L298 WeakPolarHBondContact O-CD1 3.33Å; A294-L298 PolarHBondContact O-N 3.4Å |
| 295 | S | 97.5 | Very high | 97.1 | Very high | 35 Ų | 35 | 37.9 Ų | 37.9 | 25% | 0.245 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.6 | -47.5 | 176.2 | -152.4 | 0 | 0 | 0 | 0 | 112.8 | R54 W291 E292 Q293 F299 | R54-S295 PolarHBondContact NH1-OG 3.49Å; R54-S295 PolarHBondContact NH2-OG 3.18Å; W291-S295 PolarHBondContact O-N 2.6Å; E292-S295 WeakPolarHBondContact O-CB 2.88Å; E292-S295 PolarHBondContact O-N 3.22Å; Q293-S295 PolarHBondContact O-N 3.36Å; S295-F299 PolarHBondContact O-N 2.87Å |
| 296 | Y | 98 | Very high | 97.3 | Very high | 80 Ų | 80 | 37.5 Ų | 37.5 | 31% | 0.314 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -73.3 | -38.4 | -179.3 | -152.4 | 156.6 | 0 | 0 | 0 | 111.2 | L240 E292 Q293 A294 L298 F299 L300 A313 T314 | L240-Y296 HydrophobicContact CD1-CD1 3.81Å; L240-Y296 HydrophobicContact CD1-CD2 4.37Å; L240-Y296 HydrophobicContact CD1-CE1 4.18Å; L240-Y296 HydrophobicContact CD1-CG 3.9Å; E292-Y296 PolarHBondContact O-N 3.4Å; Q293-Y296 PolarHBondContact O-N 2.95Å; A294-Y296 PolarHBondContact O-N 2.8Å; Y296-L298 VanDerWaalsContact C-N 3.31Å; Y296-L298 PolarHBondContact O-N 3.42Å; Y296-F299 HydrophobicContact CD2-CB 4.46Å; Y296-F299 AromaticContact CD2-CD1 3.83Å; Y296-F299 HydrophobicContact CD2-CD1 3.83Å; Y296-F299 AromaticContact CE2-CD1 3.75Å; Y296-F299 HydrophobicContact CE2-CD1 3.75Å; Y296-F299 HydrophobicContact CE2-CE1 4.17Å; Y296-F299 WeakPolarHBondContact O-CB 3.11Å; Y296-F299 PolarHBondContact O-N 3.25Å; Y296-L300 HydrophobicContact CD2-CD1 4.17Å; Y296-L300 HydrophobicContact CD2-CG 3.96Å; Y296-L300 HydrophobicContact CE2-CD1 4.27Å; Y296-L300 HydrophobicContact CE2-CD2 4.1Å; Y296-L300 HydrophobicContact CE2-CG 4.04Å; Y296-L300 PolarHBondContact O-N 3.26Å; Y296-A313 HydrophobicContact CE2-CB 4.3Å; Y296-T314 WeakPolarHBondContact CE1-O 3.28Å |
| 297 | I | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -54.9 | -49.8 | 173.1 | -66.9 | 165.2 | 0 | 0 | 0 | 110.3 | I47 V124 V195 I197 L240 Q293 A294 F299 L300 L301 | I47-I297 HydrophobicContact CG2-CD1 3.42Å; I47-I297 VanDerWaalsContact CG2-CD1 3.42Å; V124-I297 HydrophobicContact CG1-CG2 4.05Å; V124-I297 HydrophobicContact CG2-CG2 3.68Å; V195-I297 HydrophobicContact CB-CG2 4.35Å; V195-I297 HydrophobicContact CG1-CG1 4.35Å; V195-I297 HydrophobicContact CG1-CG2 4.31Å; I197-I297 HydrophobicContact CD1-CD1 3.68Å; I197-I297 HydrophobicContact CD1-CG1 4Å; L240-I297 HydrophobicContact CD2-CD1 4.33Å; L240-I297 HydrophobicContact CD2-CG1 3.55Å; Q293-I297 VanDerWaalsContact O-CG1 3.29Å; Q293-I297 WeakPolarHBondContact O-CG1 3.39Å; Q293-I297 PolarHBondContact O-N 3.07Å; A294-I297 PolarHBondContact O-N 3.47Å; I297-F299 VanDerWaalsContact C-N 3.32Å; I297-F299 PolarHBondContact O-N 3.32Å; I297-L300 PolarHBondContact O-N 3Å; I297-L301 HydrophobicContact CG2-CD1 4.1Å; I297-L301 HydrophobicContact CG2-CG 4.46Å; I297-L301 WeakPolarHBondContact O-CG 3.48Å; I297-L301 PolarHBondContact O-N 2.96Å |
| 298 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.7 | -31.5 | -179.1 | -85.3 | 72.3 | 0 | 0 | 0 | 112 | R32 F33 A51 R54 L55 E58 A294 Y296 L301 S302 | R32-L298 PolarHBondContact NH1-O 3.16Å; F33-L298 HydrophobicContact CD2-CD2 4.29Å; F33-L298 HydrophobicContact CE2-CB 3.92Å; F33-L298 HydrophobicContact CE2-CD2 3.82Å; F33-L298 HydrophobicContact CE2-CG 3.82Å; F33-L298 HydrophobicContact CZ-CB 4.17Å; F33-L298 HydrophobicContact CZ-CG 4.18Å; F33-L298 WeakPolarHBondContact CZ-O 3.35Å; A51-L298 HydrophobicContact CB-CD1 4.41Å; R54-L298 HydrophobicContact CB-CD2 4.11Å; R54-L298 HydrophobicContact CG-CD2 3.68Å; L55-L298 HydrophobicContact CD1-CD1 4.45Å; L55-L298 HydrophobicContact CD2-CD1 4.48Å; L55-L298 HydrophobicContact CD2-CD2 3.99Å; L55-L298 HydrophobicContact CD2-CG 3.96Å; L55-L298 HydrophobicContact CG-CD1 4.02Å; L55-L298 HydrophobicContact CG-CD2 3.97Å; L55-L298 HydrophobicContact CG-CG 4.01Å; E58-L298 VanDerWaalsContact CD-CD2 3.42Å; E58-L298 HydrophobicContact CG-CD2 4.14Å; E58-L298 WeakPolarHBondContact OE2-CD2 3.43Å; A294-L298 WeakPolarHBondContact O-CD1 3.33Å; A294-L298 PolarHBondContact O-N 3.4Å; Y296-L298 VanDerWaalsContact C-N 3.31Å; Y296-L298 PolarHBondContact O-N 3.42Å; L298-L301 PolarHBondContact O-N 3.12Å; L298-S302 WeakPolarHBondContact O-CB 3.29Å; L298-S302 PolarHBondContact O-N 3.27Å |
| 299 | F | 98.6 | Very high | 98 | Very high | 66 Ų | 66 | 45.9 Ų | 45.9 | 29% | 0.289 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.6 | -50.8 | 168.3 | 168.5 | -99 | 0 | 0 | 0 | 112.5 | R32 S295 Y296 I297 L301 S302 E304 A305 | R32-F299 VanDerWaalsContact NH2-CA 3.34Å; S295-F299 PolarHBondContact O-N 2.87Å; Y296-F299 HydrophobicContact CD2-CB 4.46Å; Y296-F299 AromaticContact CD2-CD1 3.83Å; Y296-F299 HydrophobicContact CD2-CD1 3.83Å; Y296-F299 AromaticContact CE2-CD1 3.75Å; Y296-F299 HydrophobicContact CE2-CD1 3.75Å; Y296-F299 HydrophobicContact CE2-CE1 4.17Å; Y296-F299 WeakPolarHBondContact O-CB 3.11Å; Y296-F299 PolarHBondContact O-N 3.25Å; I297-F299 VanDerWaalsContact C-N 3.32Å; I297-F299 PolarHBondContact O-N 3.32Å; F299-L301 VanDerWaalsContact C-N 3.26Å; F299-L301 PolarHBondContact O-N 3.05Å; F299-S302 PolarHBondContact O-N 3.3Å; F299-E304 HydrophobicContact CD2-CB 3.91Å; F299-E304 HydrophobicContact CE2-CB 3.8Å; F299-A305 HydrophobicContact CD1-CB 4.29Å; F299-A305 HydrophobicContact CE1-CB 3.94Å; F299-A305 HydrophobicContact CE2-CB 4.34Å; F299-A305 HydrophobicContact CZ-CB 3.96Å; F299-A305 WeakPolarHBondContact O-CB 3.11Å |
| 300 | L | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.5 | -31.9 | 179.7 | -67.5 | 174 | 0 | 0 | 0 | 112.5 | S193 V195 R236 N238 L240 Y296 I297 V308 A313 | S193-L300 PolarHBondContact OG-O 3.27Å; V195-L300 HydrophobicContact CG1-CD1 4.29Å; V195-L300 HydrophobicContact CG2-CB 3.58Å; V195-L300 HydrophobicContact CG2-CD1 4.46Å; R236-L300 PolarHBondContact NH1-O 2.9Å; R236-L300 PolarHBondContact NH2-O 3.34Å; N238-L300 HydrophobicContact CB-CD1 4.34Å; N238-L300 HydrophobicContact CB-CD2 4.44Å; L240-L300 HydrophobicContact CB-CD1 4.35Å; L240-L300 HydrophobicContact CD1-CD1 4.49Å; Y296-L300 HydrophobicContact CD2-CD1 4.17Å; Y296-L300 HydrophobicContact CD2-CG 3.96Å; Y296-L300 HydrophobicContact CE2-CD1 4.27Å; Y296-L300 HydrophobicContact CE2-CD2 4.1Å; Y296-L300 HydrophobicContact CE2-CG 4.04Å; Y296-L300 PolarHBondContact O-N 3.26Å; I297-L300 PolarHBondContact O-N 3Å; L300-V308 HydrophobicContact CD2-CG1 4.08Å; L300-A313 HydrophobicContact CD1-CB 4.11Å |
| 301 | L | 98.9 | Very high | 98.2 | Very high | 10 Ų | 10 | 46 Ų | 46 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.1 | -35.8 | 174.3 | -72.7 | 175.6 | 0 | 0 | 0 | 113.3 | F33 V38 L55 V124 S193 V195 R236 I297 L298 F299 | F33-L301 HydrophobicContact CE1-CB 3.77Å; F33-L301 HydrophobicContact CZ-CB 3.76Å; V38-L301 HydrophobicContact CG1-CD1 4.26Å; L55-L301 HydrophobicContact CD1-CD1 4.37Å; V124-L301 HydrophobicContact CG2-CD1 3.69Å; V124-L301 HydrophobicContact CG2-CD2 4.41Å; V124-L301 HydrophobicContact CG2-CG 4.44Å; S193-L301 VanDerWaalsContact CB-O 3.28Å; S193-L301 WeakPolarHBondContact CB-O 2.99Å; S193-L301 WeakPolarHBondContact O-CD2 3.48Å; S193-L301 WeakPolarHBondContact OG-CA 3.24Å; V195-L301 HydrophobicContact CG2-CD2 3.83Å; V195-L301 HydrophobicContact CG2-CG 3.86Å; R236-L301 PolarHBondContact NH2-O 3.34Å; I297-L301 HydrophobicContact CG2-CD1 4.1Å; I297-L301 HydrophobicContact CG2-CG 4.46Å; I297-L301 WeakPolarHBondContact O-CG 3.48Å; I297-L301 PolarHBondContact O-N 2.96Å; L298-L301 PolarHBondContact O-N 3.12Å; F299-L301 VanDerWaalsContact C-N 3.26Å; F299-L301 PolarHBondContact O-N 3.05Å |
| 302 | S | 98.6 | Very high | 98.3 | Very high | 8 Ų | 8 | 45.1 Ų | 45.1 | 6% | 0.056 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -82 | 172 | -172.7 | 95.5 | 0 | 0 | 0 | 0 | 113.8 | R32 R236 L298 F299 E304 A305 | R32-S302 PolarHBondContact NE-OG 3.49Å; R32-S302 PolarHBondContact NH2-OG 3.5Å; R236-S302 PolarHBondContact NH2-O 3.39Å; L298-S302 WeakPolarHBondContact O-CB 3.29Å; L298-S302 PolarHBondContact O-N 3.27Å; F299-S302 PolarHBondContact O-N 3.3Å; S302-E304 PolarHBondContact O-N 3.01Å; S302-E304 WeakPolarHBondContact OG-CB 3.39Å; S302-E304 PolarHBondContact OG-N 3.44Å; S302-E304 VanDerWaalsContact OG-N 3.16Å; S302-A305 PolarHBondContact O-N 3.4Å |
| 303 | D | 97.9 | Very high | 98.3 | Very high | 125 Ų | 125 | 43.9 Ų | 43.9 | 67% | 0.668 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -68.6 | -12.5 | 177.1 | -62.2 | -25.4 | 0 | 0 | 0 | 113.7 | A305 S306 | D303-A305 PolarHBondContact O-N 3.21Å; D303-S306 WeakPolarHBondContact O-CB 3.23Å; D303-S306 PolarHBondContact O-N 3.38Å; D303-S306 PolarHBondContact O-OG 3.49Å |
| 304 | E | 98.2 | Very high | 98.3 | Very high | 114 Ų | 114 | 46.5 Ų | 46.5 | 53% | 0.533 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -66 | -23.3 | 172.2 | -68.5 | 165.6 | -128.9 | 0 | 0 | 111.6 | R32 F299 S302 | R32-E304 IonicContact CZ-OE1 3.34Å; R32-E304 IonicContact CZ-OE2 3Å; R32-E304 IonicContact NE-OE1 3.49Å; R32-E304 PolarHBondContact NE-OE1 3Å; R32-E304 IonicContact NH2-OE1 2.66Å; R32-E304 PolarHBondContact NH2-OE1 2.92Å; R32-E304 IonicContact NH2-OE2 3.45Å; R32-E304 PolarHBondContact NH2-OE2 3.41Å; F299-E304 HydrophobicContact CD2-CB 3.91Å; F299-E304 HydrophobicContact CE2-CB 3.8Å; S302-E304 PolarHBondContact O-N 3.01Å; S302-E304 WeakPolarHBondContact OG-CB 3.39Å; S302-E304 PolarHBondContact OG-N 3.44Å; S302-E304 VanDerWaalsContact OG-N 3.16Å |
| 305 | A | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -99.5 | 25.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R236 F299 S302 D303 H307 V308 | R236-A305 PolarHBondContact NH1-O 3.43Å; R236-A305 VanDerWaalsContact NH1-O 3.09Å; F299-A305 HydrophobicContact CD1-CB 4.29Å; F299-A305 HydrophobicContact CE1-CB 3.94Å; F299-A305 HydrophobicContact CE2-CB 4.34Å; F299-A305 HydrophobicContact CZ-CB 3.96Å; F299-A305 WeakPolarHBondContact O-CB 3.11Å; S302-A305 PolarHBondContact O-N 3.4Å; D303-A305 PolarHBondContact O-N 3.21Å; A305-H307 PolarHBondContact O-N 3.13Å; A305-H307 VanDerWaalsContact O-N 3.11Å; A305-V308 HydrophobicContact CB-CB 4.14Å; A305-V308 HydrophobicContact CB-CG2 4.14Å; A305-V308 WeakPolarHBondContact O-CB 3.14Å; A305-V308 PolarHBondContact O-N 3.4Å |
| 306 | S | 98.1 | Very high | 98.2 | Very high | 86 Ų | 86 | 46.7 Ų | 46.7 | 60% | 0.601 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -27.2 | -176.7 | 46.9 | 0 | 0 | 0 | 0 | 114.4 | R236 D303 | R236-S306 WeakPolarHBondContact CD-O 3.29Å; D303-S306 WeakPolarHBondContact O-CB 3.23Å; D303-S306 PolarHBondContact O-N 3.38Å; D303-S306 PolarHBondContact O-OG 3.49Å |
| 307 | H | 98.2 | Very high | 98.1 | Very high | 191 Ų | 191 | 44.1 Ų | 44.1 | 88% | 0.884 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | 26.5 | 174.7 | -160.3 | -99.3 | 0 | 0 | 0 | 113.5 | A305 | A305-H307 PolarHBondContact O-N 3.13Å; A305-H307 VanDerWaalsContact O-N 3.11Å |
| 308 | V | 98.7 | Very high | 98 | Very high | 44 Ų | 44 | 44.9 Ų | 44.9 | 27% | 0.267 | 26% | 0.264 | S | S | . | . | trans | -126 | 110.8 | -179.8 | -171 | 0 | 0 | 0 | 0 | 110.4 | R236 N238 L300 A305 A311 | R236-V308 WeakPolarHBondContact CD-O 3.36Å; R236-V308 PolarHBondContact NH1-O 2.83Å; N238-V308 PolarHBondContact ND2-O 3.11Å; L300-V308 HydrophobicContact CD2-CG1 4.08Å; A305-V308 HydrophobicContact CB-CB 4.14Å; A305-V308 HydrophobicContact CB-CG2 4.14Å; A305-V308 WeakPolarHBondContact O-CB 3.14Å; A305-V308 PolarHBondContact O-N 3.4Å; V308-A311 HydrophobicContact CG1-CB 3.7Å | ||
| 309 | T | 98.8 | Very high | 97.8 | Very high | 63 Ų | 63 | 46.2 Ų | 46.2 | 39% | 0.387 | 27% | 0.27 | S | S | . | . | trans | -145.5 | 152 | 171.7 | -164.2 | 0 | 0 | 0 | 0 | 110.2 | A227 R236 V237 N238 A311 | A227-T309 WeakPolarHBondContact CB-OG1 3.39Å; R236-T309 WeakPolarHBondContact CA-OG1 3.35Å; V237-T309 PolarHBondContact N-OG1 2.88Å; N238-T309 VanDerWaalsContact OD1-C 3.23Å; N238-T309 WeakPolarHBondContact OD1-CA 3.43Å; N238-T309 PolarHBondContact OD1-N 3.19Å; T309-A311 PolarHBondContact O-N 2.53Å; T309-A311 VanDerWaalsContact O-N 3.12Å | ||
| 310 | G | 98.7 | Very high | 97.6 | Very high | 18 Ų | 18 | 45.2 Ų | 45.2 | 19% | 0.186 | 27% | 0.27 | C | S | . | . | S | Bend | trans | 67.5 | 6.1 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | A227 V237 N238 | A227-G310 VanDerWaalsContact CB-CA 3.43Å; V237-G310 WeakPolarHBondContact O-CA 3.31Å; V237-G310 PolarHBondContact O-N 3.48Å; N238-G310 PolarHBondContact OD1-N 3.4Å |
| 311 | A | 98.5 | Very high | 97.3 | Very high | 29 Ų | 29 | 48.7 Ų | 48.7 | 24% | 0.24 | 30% | 0.299 | C | S | . | . | trans | -73.5 | 140.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111 | N238 S239 V308 T309 | N238-A311 VanDerWaalsContact OD1-CB 3.26Å; N238-A311 WeakPolarHBondContact OD1-CB 3.2Å; N238-A311 PolarHBondContact OD1-N 3.38Å; S239-A311 PolarHBondContact N-O 3.12Å; V308-A311 HydrophobicContact CG1-CB 3.7Å; T309-A311 PolarHBondContact O-N 2.53Å; T309-A311 VanDerWaalsContact O-N 3.12Å | ||
| 312 | S | 97.9 | Very high | 96.4 | Very high | 37 Ų | 37 | 56.5 Ų | 56.5 | 26% | 0.259 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 70.7 | 164.6 | -54.3 | 0 | 0 | 0 | 0 | 108.4 | I220 S239 | I220-S312 VanDerWaalsContact CG2-OG 3.31Å; I220-S312 WeakPolarHBondContact CG2-OG 3.49Å; S239-S312 WeakPolarHBondContact OG-CA 3.41Å |
| 313 | A | 98.1 | Very high | 96.3 | Very high | 12 Ų | 12 | 58.9 Ų | 58.9 | 10% | 0.099 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 143.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | S239 L240 N241 Y296 L300 | S239-A313 WeakPolarHBondContact O-CB 3.4Å; S239-A313 PolarHBondContact O-N 3.31Å; L240-A313 HydrophobicContact CD1-CB 4.19Å; N241-A313 WeakPolarHBondContact CB-O 3.34Å; N241-A313 PolarHBondContact N-O 3.23Å; N241-A313 PolarHBondContact ND2-O 3.29Å; Y296-A313 HydrophobicContact CE2-CB 4.3Å; L300-A313 HydrophobicContact CD1-CB 4.11Å |
| 314 | T | 97.3 | Very high | 96.2 | Very high | 56 Ų | 56 | 55.4 Ų | 55.4 | 34% | 0.344 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 137.7 | 178.1 | 49.2 | 0 | 0 | 0 | 0 | 111 | L203 N241 Y296 | L203-T314 HydrophobicContact CD1-CG2 3.57Å; N241-T314 HydrophobicContact CB-CG2 4.34Å; N241-T314 WeakPolarHBondContact O-CA 3.5Å; Y296-T314 WeakPolarHBondContact CE1-O 3.28Å |
| 315 | S | 96.4 | Very high | 96.1 | Very high | 26 Ų | 26 | 52.2 Ų | 52.2 | 18% | 0.182 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 67.6 | 173.5 | -178.5 | 0 | 0 | 0 | 0 | 108.1 | N241 Q293 | N241-S315 PolarHBondContact O-N 3.33Å; N241-S315 VanDerWaalsContact O-N 3.08Å; Q293-S315 PolarHBondContact NE2-O 3.32Å; Q293-S315 VanDerWaalsContact NE2-O 3.16Å; Q293-S315 PolarHBondContact NE2-OG 2.93Å; Q293-S315 PolarHBondContact OE1-OG 3.38Å |
| 316 | D | 96.4 | Very high | 95.9 | Very high | 14 Ų | 14 | 55.2 Ų | 55.2 | 8% | 0.075 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -127.4 | 10.1 | -160.3 | 73 | -15.5 | 0 | 0 | 0 | 113 | V200 D243 S276 G318 F319 T320 | V200-D316 HydrophobicContact CG1-CB 3.64Å; D243-D316 HydrophobicContact CB-CB 3.84Å; S276-D316 WeakPolarHBondContact CB-O 3.34Å; D316-G318 PolarHBondContact O-N 3.08Å; D316-G318 VanDerWaalsContact O-N 3.11Å; D316-G318 WeakPolarHBondContact OD1-CA 3.21Å; D316-G318 PolarHBondContact OD1-N 2.82Å; D316-F319 HydrophobicContact CB-CB 4.04Å; D316-F319 VanDerWaalsContact O-CB 3.29Å; D316-F319 WeakPolarHBondContact O-CB 3.36Å; D316-F319 PolarHBondContact O-N 3.14Å; D316-F319 PolarHBondContact OD2-N 3.07Å; D316-T320 VanDerWaalsContact OD2-CB 3.3Å; D316-T320 WeakPolarHBondContact OD2-CB 3.26Å; D316-T320 WeakPolarHBondContact OD2-CG2 3.44Å; D316-T320 PolarHBondContact OD2-N 3.34Å; D316-T320 PolarHBondContact OD2-OG1 3.3Å |
| 317 | G | 96 | Very high | 95.8 | Very high | 25 Ų | 25 | 53.3 Ų | 53.3 | 26% | 0.258 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 21.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S276 I277 L278 | S276-G317 WeakPolarHBondContact CB-O 3.23Å; I277-G317 PolarHBondContact N-O 3.46Å; L278-G317 PolarHBondContact N-O 3.21Å |
| 318 | G | 95.8 | Very high | 95.6 | Very high | 16 Ų | 16 | 44.1 Ų | 44.1 | 17% | 0.165 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | 18 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D316 T320 A321 | D316-G318 PolarHBondContact O-N 3.08Å; D316-G318 VanDerWaalsContact O-N 3.11Å; D316-G318 WeakPolarHBondContact OD1-CA 3.21Å; D316-G318 PolarHBondContact OD1-N 2.82Å; G318-T320 PolarHBondContact O-N 3.29Å; G318-A321 PolarHBondContact O-N 2.98Å |
| 319 | F | 95.5 | Very high | 95.4 | Very high | 28 Ų | 28 | 44.1 Ų | 44.1 | 12% | 0.123 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -31 | 176 | -167.9 | -86.9 | 0 | 0 | 0 | 112.6 | V200 L204 D243 K273 D316 | V200-F319 HydrophobicContact CB-CD1 4.06Å; V200-F319 HydrophobicContact CG1-CB 4.29Å; V200-F319 HydrophobicContact CG1-CD1 4.12Å; V200-F319 HydrophobicContact CG1-CG 4.5Å; V200-F319 HydrophobicContact CG2-CD1 4.11Å; V200-F319 HydrophobicContact CG2-CE1 4.3Å; L204-F319 HydrophobicContact CD1-CD1 3.92Å; L204-F319 HydrophobicContact CD1-CE1 3.79Å; D243-F319 HydrophobicContact CB-CB 4.14Å; K273-F319 HydrophobicContact CD-CE1 4.43Å; K273-F319 HydrophobicContact CD-CE2 4.34Å; K273-F319 HydrophobicContact CD-CZ 4.18Å; K273-F319 WeakPolarHBondContact CE-O 3.46Å; K273-F319 HydrophobicContact CG-CE2 4.05Å; K273-F319 HydrophobicContact CG-CZ 4.07Å; K273-F319 PolarHBondContact NZ-O 2.89Å; D316-F319 HydrophobicContact CB-CB 4.04Å; D316-F319 VanDerWaalsContact O-CB 3.29Å; D316-F319 WeakPolarHBondContact O-CB 3.36Å; D316-F319 PolarHBondContact O-N 3.14Å; D316-F319 PolarHBondContact OD2-N 3.07Å |
| 320 | T | 94.8 | Very high | 95.2 | Very high | 46 Ų | 46 | 42.7 Ų | 42.7 | 28% | 0.282 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 1.3 | 179.5 | 57.3 | 0 | 0 | 0 | 0 | 113.9 | V200 L203 L204 D316 G318 F322 | V200-T320 HydrophobicContact CB-CG2 4.14Å; V200-T320 HydrophobicContact CG1-CG2 3.83Å; L203-T320 HydrophobicContact CB-CG2 4.33Å; L203-T320 HydrophobicContact CD1-CG2 4.01Å; L204-T320 HydrophobicContact CD1-CG2 3.83Å; L204-T320 HydrophobicContact CG-CG2 4.17Å; D316-T320 VanDerWaalsContact OD2-CB 3.3Å; D316-T320 WeakPolarHBondContact OD2-CB 3.26Å; D316-T320 WeakPolarHBondContact OD2-CG2 3.44Å; D316-T320 PolarHBondContact OD2-N 3.34Å; D316-T320 PolarHBondContact OD2-OG1 3.3Å; G318-T320 PolarHBondContact O-N 3.29Å; T320-F322 VanDerWaalsContact C-N 3.33Å; T320-F322 PolarHBondContact O-N 2.86Å |
| 321 | A | 92.3 | Very high | 94.9 | Very high | 75 Ų | 75 | 44.8 Ų | 44.8 | 62% | 0.62 | 28% | 0.284 | S | S | * | . | trans | -79.1 | -9.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | I277 G318 | I277-A321 HydrophobicContact CD1-CB 4.1Å; G318-A321 PolarHBondContact O-N 2.98Å | ||
| 322 | F | 79.5 | Confident | 94.6 | Very high | 173 Ų | 173 | 46.2 Ų | 46.2 | 76% | 0.759 | 29% | 0.288 | S | S | * | . | trans | -151 | 0 | -176.6 | 70.4 | -85.3 | 0 | 0 | 0 | 112.1 | K273 I277 T320 | K273-F322 HydrophobicContact CD-CE2 4.02Å; K273-F322 HydrophobicContact CD-CZ 4.04Å; K273-F322 VanDerWaalsContact CE-CE1 3.42Å; K273-F322 VanDerWaalsContact CE-CE2 3.49Å; K273-F322 PolarHBondContact NZ-O 3.46Å; I277-F322 HydrophobicContact CD1-CD1 3.95Å; I277-F322 HydrophobicContact CD1-CE1 4.21Å; I277-F322 HydrophobicContact CG1-CD1 3.78Å; I277-F322 HydrophobicContact CG1-CE1 3.5Å; T320-F322 VanDerWaalsContact C-N 3.33Å; T320-F322 PolarHBondContact O-N 2.86Å |
Retrieved 322 of 322 residues in 170.4 ms
(Link to these results)