| 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 | 41.8 | Very low | 35.6 | Very low | 247 Ų | 247 | 147.6 Ų | 147.6 | 100% | 1.217 | 77% | 0.768 | S | S | * | * | 0 | 113.1 | 0 | -70.6 | 167.1 | -159.3 | 0 | 0 | 107.4 | |||||
| 2 | K | 33.1 | Very low | 36.2 | Very low | 200 Ų | 200 | 144.2 Ų | 144.2 | 87% | 0.87 | 78% | 0.777 | S | S | * | * | trans | -72.1 | 175.5 | 163.6 | -85.6 | -176 | 176.6 | -179.2 | 0 | 109 | ||||
| 3 | P | 54.1 | Low | 35.7 | Very low | 91 Ų | 91 | 140.9 Ų | 140.9 | 59% | 0.591 | 78% | 0.782 | S | S | * | * | cis | -131.3 | -175.1 | -23.6 | 26.3 | -2 | 0 | 0 | 0 | 110 | F5 | P3-F5 HydrophobicContact CB-CD2 4.37Š| ||
| 4 | L | 37.6 | Very low | 36 | Very low | 146 Ų | 146 | 137.4 Ų | 137.4 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | -165.7 | 127.4 | 60.3 | -92.4 | 105 | 0 | 0 | 0 | 107.8 | |||||
| 5 | F | 33.1 | Very low | 35.8 | Very low | 184 Ų | 184 | 140.1 Ų | 140.1 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | 59.2 | 133.8 | 94 | -76.4 | -74.5 | 0 | 0 | 0 | 112.6 | P3 | P3-F5 HydrophobicContact CB-CD2 4.37Š| |||
| 6 | S | 31 | Very low | 35.6 | Very low | 91 Ų | 91 | 136.1 Ų | 136.1 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | cis | -178.1 | 125.8 | 22.2 | 152.1 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 7 | S | 33.2 | Very low | 35.5 | Very low | 80 Ų | 80 | 137.7 Ų | 137.7 | 56% | 0.559 | 78% | 0.784 | S | S | * | * | 79.6 | 134.4 | 92.3 | -18.1 | 0 | 0 | 0 | 0 | 118 | |||||
| 8 | F | 33.3 | Very low | 35.4 | Very low | 191 Ų | 191 | 135.2 Ų | 135.2 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | 66.6 | 150.9 | 151.9 | -68.6 | -83.5 | 0 | 0 | 0 | 118.4 | ||||
| 9 | L | 33.7 | Very low | 35.3 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 62% | 0.618 | 79% | 0.787 | S | S | * | * | cis | 169.3 | 164.8 | -20.4 | -149.9 | 112 | 0 | 0 | 0 | 104.4 | ||||
| 10 | F | 30.4 | Very low | 35 | Very low | 190 Ų | 190 | 131.7 Ų | 131.7 | 83% | 0.833 | 79% | 0.788 | S | S | * | * | trans | 73.7 | 152.4 | 173.7 | -62.2 | -84.2 | 0 | 0 | 0 | 115.6 | ||||
| 11 | A | 30.7 | Very low | 35 | Very low | 86 Ų | 86 | 130.4 Ų | 130.4 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | cis | 178.1 | 164.7 | -18.9 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 12 | A | 42.1 | Very low | 34.6 | Very low | 106 Ų | 106 | 123.7 Ų | 123.7 | 88% | 0.876 | 77% | 0.769 | S | S | * | * | trans | -46 | 145.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 13 | A | 30.1 | Very low | 34.9 | Very low | 102 Ų | 102 | 120.4 Ų | 120.4 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | trans | -153.6 | 121.4 | 148.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 14 | A | 39.8 | Very low | 34.3 | Very low | 91 Ų | 91 | 118.6 Ų | 118.6 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | trans | -79 | 146 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 15 | L | 33.4 | Very low | 34.9 | Very low | 178 Ų | 178 | 116.5 Ų | 116.5 | 93% | 0.932 | 76% | 0.757 | S | S | * | * | trans | 152.5 | 142.8 | 158.8 | -105.7 | 108 | 0 | 0 | 0 | 106.9 | ||||
| 16 | A | 32.4 | Very low | 36.3 | Very low | 76 Ų | 76 | 109.7 Ų | 109.7 | 63% | 0.628 | 73% | 0.728 | S | S | * | * | cis | -176.4 | 143.7 | -20.8 | 0 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 17 | L | 33.6 | Very low | 38.2 | Very low | 164 Ų | 164 | 109.3 Ų | 109.3 | 86% | 0.859 | 72% | 0.723 | S | S | * | * | trans | 39.6 | 129.2 | 154.4 | -79.8 | 94.1 | 0 | 0 | 0 | 123.3 | ||||
| 18 | A | 34.8 | Very low | 40.2 | Very low | 93 Ų | 93 | 108.6 Ų | 108.6 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | trans | 65 | 109.1 | 131 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 19 | A | 31.9 | Very low | 42.5 | Very low | 104 Ų | 104 | 100.5 Ų | 100.5 | 86% | 0.86 | 69% | 0.694 | S | S | * | * | 168.7 | 97.5 | 112.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 20 | A | 29.6 | Very low | 45.1 | Very low | 96 Ų | 96 | 97.7 Ų | 97.7 | 79% | 0.793 | 68% | 0.683 | S | S | * | * | trans | -146.4 | 95.2 | 143.9 | 0 | 0 | 0 | 0 | 0 | 105.4 | S22 | A20-S22 VanDerWaalsContact C-N 3.28Å; A20-S22 PolarHBondContact O-N 3.47Å | ||
| 21 | A | 35.6 | Very low | 48.2 | Very low | 105 Ų | 105 | 91 Ų | 91 | 87% | 0.868 | 65% | 0.654 | S | S | * | * | trans | -55 | 102.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 106.3 | T23 | A21-T23 PolarHBondContact O-N 3.03Š| ||
| 22 | S | 33.4 | Very low | 51.2 | Low | 105 Ų | 105 | 91 Ų | 91 | 73% | 0.734 | 64% | 0.64 | S | S | * | * | trans | -69.9 | 117 | 173.2 | 59 | 0 | 0 | 0 | 0 | 106.4 | A20 G24 | A20-S22 VanDerWaalsContact C-N 3.28Å; A20-S22 PolarHBondContact O-N 3.47Å; S22-G24 PolarHBondContact O-N 3.46Å | ||
| 23 | T | 39 | Very low | 53.9 | Low | 132 Ų | 132 | 87 Ų | 87 | 81% | 0.81 | 60% | 0.602 | S | S | * | * | trans | -39.2 | 109.9 | 167.4 | 45.9 | 0 | 0 | 0 | 0 | 110 | A21 T25 | A21-T23 PolarHBondContact O-N 3.03Å; T23-T25 PolarHBondContact O-N 2.71Å | ||
| 24 | G | 41.6 | Very low | 57.1 | Low | 52 Ų | 52 | 82.9 Ų | 82.9 | 54% | 0.536 | 57% | 0.565 | S | S | . | * | trans | -62.2 | 111 | -168 | 0 | 0 | 0 | 0 | 0 | 113.1 | S22 K335 | S22-G24 PolarHBondContact O-N 3.46Å; G24-K335 PolarHBondContact O-NZ 3.04Å | ||
| 25 | T | 51.3 | Low | 59.9 | Low | 103 Ų | 103 | 83 Ų | 83 | 63% | 0.632 | 55% | 0.546 | S | S | * | . | trans | -123.3 | 111.9 | 159.2 | 49.3 | 0 | 0 | 0 | 0 | 106 | T23 P27 | T23-T25 PolarHBondContact O-N 2.71Å; T25-P27 WeakPolarHBondContact O-CD 3.38Å | ||
| 26 | E | 62 | Low | 63 | Low | 41 Ų | 41 | 75.7 Ų | 75.7 | 19% | 0.192 | 51% | 0.506 | C | S | . | . | trans | -54.8 | 121.9 | 169.8 | -68.6 | -71.9 | 170 | 0 | 0 | 108.1 | G28 I29 R342 | E26-G28 PolarHBondContact O-N 3.46Å; E26-I29 HydrophobicContact CB-CD1 3.7Å; E26-I29 HydrophobicContact CB-CG1 4.14Å; E26-I29 HydrophobicContact CG-CD1 4.29Å; E26-I29 PolarHBondContact O-N 3.31Å; E26-R342 IonicContact OE1-NH1 3.84Å; E26-R342 PolarHBondContact OE1-NH1 3.33Å | ||
| 27 | P | 71 | Confident | 66.1 | Low | 82 Ų | 82 | 77.1 Ų | 77.1 | 53% | 0.532 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 130.3 | -174.5 | -23.3 | 32.1 | 0 | 0 | 0 | 111.8 | T25 I29 N113 | T25-P27 WeakPolarHBondContact O-CD 3.38Å; P27-I29 PolarHBondContact O-N 3.33Å; P27-N113 PolarHBondContact O-ND2 2.84Å |
| 28 | G | 73.9 | Confident | 69.2 | Low | 66 Ų | 66 | 73.4 Ų | 73.4 | 68% | 0.68 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | 3.9 | 172 | 0 | 0 | 0 | 0 | 0 | 116.4 | E26 | E26-G28 PolarHBondContact O-N 3.46Š|
| 29 | I | 82.7 | Confident | 72.2 | Confident | 21 Ų | 21 | 69.1 Ų | 69.1 | 11% | 0.108 | 45% | 0.446 | C | S | . | . | trans | -90.7 | 117.8 | 169.6 | -56.5 | -176 | 0 | 0 | 0 | 109.4 | E26 P27 F31 Y106 Q109 W338 | E26-I29 HydrophobicContact CB-CD1 3.7Å; E26-I29 HydrophobicContact CB-CG1 4.14Å; E26-I29 HydrophobicContact CG-CD1 4.29Å; E26-I29 PolarHBondContact O-N 3.31Å; P27-I29 PolarHBondContact O-N 3.33Å; I29-F31 HydrophobicContact CB-CZ 4.25Å; I29-F31 HydrophobicContact CG2-CD1 4.12Å; I29-F31 HydrophobicContact CG2-CE1 3.63Å; I29-F31 HydrophobicContact CG2-CE2 4.17Å; I29-F31 HydrophobicContact CG2-CZ 3.67Å; I29-Y106 HydrophobicContact CG2-CD1 3.51Å; I29-Y106 HydrophobicContact CG2-CE1 4.06Å; I29-Y106 HydrophobicContact CG2-CG 3.86Å; I29-Q109 HydrophobicContact CG1-CB 4.18Å; I29-Q109 HydrophobicContact CG1-CG 3.7Å; I29-W338 HydrophobicContact CD1-CZ2 4.24Å | ||
| 30 | S | 88.5 | Confident | 75.4 | Confident | 58 Ų | 58 | 70 Ų | 70 | 41% | 0.406 | 43% | 0.427 | S | S | . | . | trans | -93.5 | 123.1 | 170 | -168.5 | 0 | 0 | 0 | 0 | 109.2 | E32 Y106 | S30-E32 WeakPolarHBondContact CB-OE1 3.27Å; S30-E32 PolarHBondContact O-N 2.9Å; S30-E32 VanDerWaalsContact OG-CD 3.27Å; S30-E32 PolarHBondContact OG-OE1 3.36Å; S30-Y106 WeakPolarHBondContact O-CE1 2.88Å | ||
| 31 | F | 94.4 | Very high | 78.7 | Confident | 49 Ų | 49 | 72.3 Ų | 72.3 | 22% | 0.215 | 42% | 0.419 | C | S | . | . | trans | -93.8 | 83.5 | -179.5 | -63.1 | -73.9 | 0 | 0 | 0 | 110.3 | I29 Y106 L334 K335 W338 | I29-F31 HydrophobicContact CB-CZ 4.25Å; I29-F31 HydrophobicContact CG2-CD1 4.12Å; I29-F31 HydrophobicContact CG2-CE1 3.63Å; I29-F31 HydrophobicContact CG2-CE2 4.17Å; I29-F31 HydrophobicContact CG2-CZ 3.67Å; F31-Y106 WeakPolarHBondContact CA-OH 3.08Å; F31-Y106 HydrophobicContact CD1-CD2 4.08Å; F31-Y106 HydrophobicContact CD1-CE1 4.38Å; F31-Y106 AromaticContact CD1-CE2 3.64Å; F31-Y106 HydrophobicContact CD1-CE2 3.64Å; F31-Y106 AromaticContact CD1-CZ 3.8Å; F31-Y106 HydrophobicContact CE1-CD2 4.05Å; F31-Y106 HydrophobicContact CE1-CE2 4.09Å; F31-Y106 HydrophobicContact CE1-CG 4.44Å; F31-L334 HydrophobicContact CB-CB 4.26Å; F31-K335 HydrophobicContact CB-CB 4.43Å; F31-K335 HydrophobicContact CD1-CB 4.06Å; F31-K335 HydrophobicContact CD2-CB 3.89Å; F31-K335 HydrophobicContact CD2-CD 4.31Å; F31-K335 HydrophobicContact CD2-CG 4.11Å; F31-K335 HydrophobicContact CE1-CB 4.29Å; F31-K335 HydrophobicContact CE1-CG 4.42Å; F31-K335 HydrophobicContact CE2-CB 4.13Å; F31-K335 HydrophobicContact CE2-CD 4.1Å; F31-K335 HydrophobicContact CE2-CG 3.85Å; F31-K335 HydrophobicContact CG-CB 3.86Å; F31-K335 HydrophobicContact CG-CG 4.49Å; F31-K335 HydrophobicContact CZ-CB 4.32Å; F31-K335 HydrophobicContact CZ-CG 4.02Å; F31-W338 HydrophobicContact CD1-CB 4.46Å; F31-W338 HydrophobicContact CE1-CB 3.68Å; F31-W338 AromaticContact CE1-CD1 3.67Å; F31-W338 AromaticContact CE1-CG 3.75Å; F31-W338 HydrophobicContact CE1-CG 3.75Å; F31-W338 HydrophobicContact CZ-CB 4.48Å; F31-W338 AromaticContact CZ-CD1 3.68Å; F31-W338 HydrophobicContact CZ-CG 4.24Å | ||
| 32 | E | 94.8 | Very high | 81.6 | Confident | 87 Ų | 87 | 68.1 Ų | 68.1 | 41% | 0.407 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -146.9 | 162.5 | -178.7 | 66 | -164.9 | 143.1 | 0 | 0 | 110 | S30 H34 Y106 | S30-E32 WeakPolarHBondContact CB-OE1 3.27Å; S30-E32 PolarHBondContact O-N 2.9Å; S30-E32 VanDerWaalsContact OG-CD 3.27Å; S30-E32 PolarHBondContact OG-OE1 3.36Å; E32-H34 PolarHBondContact O-ND1 3.29Å; E32-H34 VanDerWaalsContact O-ND1 3.16Å; E32-Y106 PolarHBondContact N-OH 3.09Å; E32-Y106 PolarHBondContact O-OH 2.97Å |
| 33 | Y | 97.3 | Very high | 84.7 | Confident | 22 Ų | 22 | 63.2 Ų | 63.2 | 9% | 0.086 | 35% | 0.35 | C | S | . | . | trans | -77.9 | 125.3 | 171.7 | -76.6 | -61.7 | 0 | 0 | 0 | 110.7 | A98 E102 F142 F328 P329 E331 L334 | Y33-A98 HydrophobicContact CD1-CB 4.15Å; Y33-A98 HydrophobicContact CE1-CB 3.5Å; Y33-E102 HydrophobicContact CD1-CG 3.64Å; Y33-E102 HydrophobicContact CE1-CG 3.87Å; Y33-F142 HydrophobicContact CD1-CE2 4.44Å; Y33-F142 HydrophobicContact CD1-CZ 4.35Å; Y33-F328 HydrophobicContact CD1-CE1 4.1Å; Y33-F328 HydrophobicContact CD1-CZ 4.13Å; Y33-F328 HydrophobicContact CD2-CD1 4.33Å; Y33-F328 AromaticContact CD2-CE1 3.47Å; Y33-F328 HydrophobicContact CD2-CE1 3.47Å; Y33-F328 VanDerWaalsContact CD2-CE1 3.47Å; Y33-F328 HydrophobicContact CD2-CZ 4.12Å; Y33-F328 HydrophobicContact CE1-CD1 4.38Å; Y33-F328 AromaticContact CE1-CE1 3.97Å; Y33-F328 HydrophobicContact CE1-CE1 3.97Å; Y33-F328 HydrophobicContact CE1-CZ 4.26Å; Y33-F328 AromaticContact CE2-CD1 3.71Å; Y33-F328 HydrophobicContact CE2-CD1 3.71Å; Y33-F328 AromaticContact CE2-CE1 3.3Å; Y33-F328 HydrophobicContact CE2-CE1 3.3Å; Y33-F328 HydrophobicContact CE2-CZ 4.25Å; Y33-F328 AromaticContact CG-CE1 3.88Å; Y33-F328 HydrophobicContact CG-CE1 3.88Å; Y33-F328 HydrophobicContact CG-CZ 4.07Å; Y33-F328 AromaticContact CZ-CD1 3.73Å; Y33-F328 AromaticContact CZ-CE1 3.56Å; Y33-P329 VanDerWaalsContact CE2-O 3.3Å; Y33-P329 WeakPolarHBondContact CE2-O 3.39Å; Y33-P329 WeakPolarHBondContact OH-CD 3.33Å; Y33-P329 WeakPolarHBondContact OH-CG 3.45Å; Y33-P329 PolarHBondContact OH-O 3.21Å; Y33-E331 HydrophobicContact CD2-CG 3.31Å; Y33-E331 HydrophobicContact CE2-CG 3.71Å; Y33-E331 HydrophobicContact CG-CG 4.24Å; Y33-E331 PolarHBondContact N-OE1 2.86Å; Y33-L334 HydrophobicContact CD1-CD1 4.33Å; Y33-L334 HydrophobicContact CD2-CD1 4.41Å; Y33-L334 HydrophobicContact CE1-CD1 4.22Å; Y33-L334 HydrophobicContact CE1-CD2 3.9Å; Y33-L334 HydrophobicContact CE2-CD1 4.31Å; Y33-L334 HydrophobicContact CG-CD1 4.4Å | ||
| 34 | H | 98.1 | Very high | 87.6 | Confident | 15 Ų | 15 | 59.4 Ų | 59.4 | 7% | 0.069 | 33% | 0.327 | C | S | . | . | trans | -93.7 | 108.6 | 177.9 | -64 | 82.3 | 0 | 0 | 0 | 109.7 | E32 E38 L39 R101 E102 I105 F142 | E32-H34 PolarHBondContact O-ND1 3.29Å; E32-H34 VanDerWaalsContact O-ND1 3.16Å; H34-E38 HydrophobicContact CB-CB 4Å; H34-L39 HydrophobicContact CB-CB 4.09Å; H34-R101 VanDerWaalsContact O-CZ 3.27Å; H34-R101 PolarHBondContact O-NE 2.91Å; H34-R101 PolarHBondContact O-NH2 3.3Å; H34-E102 IonicContact CE1-OE2 3.92Å; H34-E102 IonicContact CG-OE2 3.32Å; H34-E102 PolarHBondContact N-OE1 2.9Å; H34-E102 IonicContact ND1-OE2 2.83Å; H34-E102 PolarHBondContact ND1-OE2 3.43Å; H34-I105 HydrophobicContact CB-CD1 4.04Å; H34-F142 WeakPolarHBondContact O-CE1 3.31Å | ||
| 35 | R | 98.2 | Very high | 90.2 | Very high | 94 Ų | 94 | 59.9 Ų | 59.9 | 36% | 0.355 | 32% | 0.321 | S | S | . | . | trans | -60.6 | 168 | 163 | -67.4 | -173.5 | 173.5 | -118.8 | 2.8 | 110.4 | D37 E38 L39 E143 A146 S147 | R35-D37 VanDerWaalsContact C-N 3.29Å; R35-D37 PolarHBondContact O-N 3.32Å; R35-D37 VanDerWaalsContact O-N 3.16Å; R35-E38 WeakPolarHBondContact CA-OE2 3.5Å; R35-E38 WeakPolarHBondContact CB-OE2 3.21Å; R35-E38 PolarHBondContact N-OE2 2.8Å; R35-E38 CarbonylContact O-C 3.58Å; R35-E38 WeakPolarHBondContact O-CA 3.29Å; R35-E38 WeakPolarHBondContact O-CB 3.43Å; R35-E38 PolarHBondContact O-N 3Å; R35-L39 PolarHBondContact O-N 3.15Å; R35-E143 WeakPolarHBondContact CA-OE1 3.41Å; R35-E143 WeakPolarHBondContact CB-OE1 3.33Å; R35-E143 IonicContact CZ-OE2 3.73Å; R35-E143 IonicContact NH1-OE2 3.84Å; R35-E143 PolarHBondContact NH1-OE2 3.44Å; R35-A146 PolarHBondContact NH2-O 3.1Å; R35-S147 PolarHBondContact NH1-OG 2.87Å; R35-S147 PolarHBondContact NH2-OG 2.89Å | ||
| 36 | Y | 98.6 | Very high | 92.5 | Very high | 25 Ų | 25 | 55 Ų | 55 | 10% | 0.098 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -50.8 | -46.1 | -171.4 | -177.9 | -101.4 | 0 | 0 | 0 | 113.7 | E38 L39 R40 R66 E67 P139 E143 | Y36-E38 VanDerWaalsContact C-N 3.35Å; Y36-E38 PolarHBondContact O-N 3.37Å; Y36-L39 PolarHBondContact O-N 3.37Å; Y36-R40 PolarHBondContact O-N 3.21Å; Y36-R66 HydrophobicContact CD1-CG 4.21Å; Y36-R66 HydrophobicContact CD2-CB 4Å; Y36-R66 HydrophobicContact CD2-CG 4.22Å; Y36-R66 HydrophobicContact CE1-CB 4.23Å; Y36-R66 HydrophobicContact CE1-CG 4.26Å; Y36-R66 HydrophobicContact CE2-CB 3.66Å; Y36-R66 HydrophobicContact CE2-CG 4.29Å; Y36-R66 HydrophobicContact CG-CB 4.43Å; Y36-R66 HydrophobicContact CG-CG 4.19Å; Y36-E67 WeakPolarHBondContact CE2-O 3.48Å; Y36-E67 WeakPolarHBondContact OH-CA 3.43Å; Y36-E67 WeakPolarHBondContact OH-CB 3.4Å; Y36-E67 PolarHBondContact OH-N 3.4Å; Y36-E67 PolarHBondContact OH-O 2.86Å; Y36-P139 HydrophobicContact CD2-CB 3.92Å; Y36-P139 HydrophobicContact CE2-CB 4.37Å; Y36-E143 PolarHBondContact N-OE1 3.45Å |
| 37 | D | 98.3 | Very high | 94.2 | Very high | 106 Ų | 106 | 58 Ų | 58 | 57% | 0.567 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -67.6 | -33.8 | 178.1 | -72.6 | -21 | 0 | 0 | 0 | 113.1 | R35 K41 | R35-D37 VanDerWaalsContact C-N 3.29Å; R35-D37 PolarHBondContact O-N 3.32Å; R35-D37 VanDerWaalsContact O-N 3.16Å; D37-K41 VanDerWaalsContact O-CG 3.26Å; D37-K41 WeakPolarHBondContact O-CG 3.39Å; D37-K41 PolarHBondContact O-N 2.7Å; D37-K41 VanDerWaalsContact O-N 3.15Å |
| 38 | E | 98.4 | Very high | 95.5 | Very high | 85 Ų | 85 | 59.4 Ų | 59.4 | 40% | 0.397 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -73.9 | -40.1 | 176.9 | -69.9 | 140.1 | -172.8 | 0 | 0 | 111.1 | H34 R35 Y36 R40 K41 A42 | H34-E38 HydrophobicContact CB-CB 4Å; R35-E38 WeakPolarHBondContact CA-OE2 3.5Å; R35-E38 WeakPolarHBondContact CB-OE2 3.21Å; R35-E38 PolarHBondContact N-OE2 2.8Å; R35-E38 CarbonylContact O-C 3.58Å; R35-E38 WeakPolarHBondContact O-CA 3.29Å; R35-E38 WeakPolarHBondContact O-CB 3.43Å; R35-E38 PolarHBondContact O-N 3Å; Y36-E38 VanDerWaalsContact C-N 3.35Å; Y36-E38 PolarHBondContact O-N 3.37Å; E38-R40 VanDerWaalsContact C-N 3.33Å; E38-R40 PolarHBondContact O-N 3.26Å; E38-K41 WeakPolarHBondContact O-CB 3.35Å; E38-K41 PolarHBondContact O-N 2.91Å; E38-A42 WeakPolarHBondContact O-CB 3.45Å; E38-A42 PolarHBondContact O-N 3.49Å |
| 39 | L | 98.4 | Very high | 96.6 | Very high | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.3 | -47.7 | 173.8 | 174.4 | 165 | 0 | 0 | 0 | 109.4 | H34 R35 Y36 K41 A42 L43 L69 R101 I105 P135 | H34-L39 HydrophobicContact CB-CB 4.09Å; R35-L39 PolarHBondContact O-N 3.15Å; Y36-L39 PolarHBondContact O-N 3.37Å; L39-K41 VanDerWaalsContact C-N 3.3Å; L39-K41 PolarHBondContact O-N 3.37Å; L39-A42 WeakPolarHBondContact O-CB 3.27Å; L39-A42 PolarHBondContact O-N 2.81Å; L39-A42 VanDerWaalsContact O-N 3.14Å; L39-L43 HydrophobicContact CD2-CD1 3.74Å; L39-L43 HydrophobicContact CD2-CG 4.11Å; L39-L43 WeakPolarHBondContact O-CG 3.3Å; L39-L43 PolarHBondContact O-N 3.09Å; L39-L69 HydrophobicContact CD2-CD1 3.96Å; L39-R101 HydrophobicContact CD1-CG 4.41Å; L39-I105 HydrophobicContact CB-CD1 4.3Å; L39-I105 HydrophobicContact CD1-CD1 4.25Å; L39-I105 HydrophobicContact CG-CD1 3.97Å; L39-P135 HydrophobicContact CD1-CB 3.94Å |
| 40 | R | 98.4 | Very high | 97.4 | Very high | 123 Ų | 123 | 58.2 Ų | 58.2 | 46% | 0.464 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -57.5 | -44.6 | 176.8 | 179.8 | -179.8 | 174 | 139.3 | 6.4 | 111.2 | Y36 E38 V44 E67 L69 | Y36-R40 PolarHBondContact O-N 3.21Å; E38-R40 VanDerWaalsContact C-N 3.33Å; E38-R40 PolarHBondContact O-N 3.26Å; R40-V44 WeakPolarHBondContact O-CB 3.39Å; R40-V44 VanDerWaalsContact O-CG2 3.26Å; R40-V44 WeakPolarHBondContact O-CG2 3.4Å; R40-V44 PolarHBondContact O-N 3Å; R40-E67 IonicContact CZ-OE2 3.37Å; R40-E67 IonicContact NH1-OE2 3.47Å; R40-E67 PolarHBondContact NH1-OE2 3.11Å; R40-L69 HydrophobicContact CB-CD1 4.1Å; R40-L69 HydrophobicContact CG-CD1 4.24Å |
| 41 | K | 98.1 | Very high | 97.8 | Very high | 143 Ų | 143 | 58.8 Ų | 58.8 | 62% | 0.622 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -64.1 | -40.3 | 176.5 | -72.2 | 166.7 | -171.6 | 166.1 | 0 | 111.9 | D37 E38 L39 V44 S45 | D37-K41 VanDerWaalsContact O-CG 3.26Å; D37-K41 WeakPolarHBondContact O-CG 3.39Å; D37-K41 PolarHBondContact O-N 2.7Å; D37-K41 VanDerWaalsContact O-N 3.15Å; E38-K41 WeakPolarHBondContact O-CB 3.35Å; E38-K41 PolarHBondContact O-N 2.91Å; L39-K41 VanDerWaalsContact C-N 3.3Å; L39-K41 PolarHBondContact O-N 3.37Å; K41-V44 PolarHBondContact O-N 3.06Å; K41-S45 WeakPolarHBondContact O-CB 3.29Å; K41-S45 PolarHBondContact O-N 3.26Å |
| 42 | A | 98.1 | Very high | 98 | Very high | 17 Ų | 17 | 61.3 Ų | 61.3 | 14% | 0.14 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E38 L39 V44 S45 V46 I105 | E38-A42 WeakPolarHBondContact O-CB 3.45Å; E38-A42 PolarHBondContact O-N 3.49Å; L39-A42 WeakPolarHBondContact O-CB 3.27Å; L39-A42 PolarHBondContact O-N 2.81Å; L39-A42 VanDerWaalsContact O-N 3.14Å; A42-V44 PolarHBondContact O-N 2.88Å; A42-S45 VanDerWaalsContact O-CB 3.31Å; A42-S45 WeakPolarHBondContact O-CB 3.45Å; A42-S45 PolarHBondContact O-N 3.1Å; A42-S45 VanDerWaalsContact O-N 3.15Å; A42-V46 PolarHBondContact O-N 3.42Å; A42-V46 VanDerWaalsContact O-N 3.07Å; A42-I105 HydrophobicContact CB-CG2 3.81Å |
| 43 | L | 98.3 | Very high | 98.1 | Very high | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 175.7 | -62.8 | -172.7 | 0 | 0 | 0 | 112 | L39 S45 V46 W47 I56 L69 L71 P135 | L39-L43 HydrophobicContact CD2-CD1 3.74Å; L39-L43 HydrophobicContact CD2-CG 4.11Å; L39-L43 WeakPolarHBondContact O-CG 3.3Å; L39-L43 PolarHBondContact O-N 3.09Å; L43-S45 VanDerWaalsContact C-N 3.27Å; L43-S45 PolarHBondContact O-N 3.15Å; L43-V46 PolarHBondContact O-N 3.22Å; L43-W47 PolarHBondContact O-N 2.85Å; L43-I56 HydrophobicContact CB-CD1 4.02Å; L43-L69 HydrophobicContact CD1-CB 3.97Å; L43-L69 HydrophobicContact CD1-CD1 4.41Å; L43-L71 HydrophobicContact CD2-CB 4.18Å; L43-L71 HydrophobicContact CD2-CD2 4.41Å; L43-P135 HydrophobicContact CD1-CG 4.29Å; L43-P135 HydrophobicContact CD2-CG 4.1Å |
| 44 | V | 98.3 | Very high | 98.2 | Very high | 53 Ų | 53 | 56.4 Ų | 56.4 | 32% | 0.321 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.6 | -36.3 | 175.2 | 169.2 | 0 | 0 | 0 | 0 | 111.4 | R40 K41 A42 W47 L48 I56 | R40-V44 WeakPolarHBondContact O-CB 3.39Å; R40-V44 VanDerWaalsContact O-CG2 3.26Å; R40-V44 WeakPolarHBondContact O-CG2 3.4Å; R40-V44 PolarHBondContact O-N 3Å; K41-V44 PolarHBondContact O-N 3.06Å; A42-V44 PolarHBondContact O-N 2.88Å; V44-W47 PolarHBondContact O-N 2.88Å; V44-L48 HydrophobicContact CG1-CD1 3.9Å; V44-L48 HydrophobicContact CG1-CG 4.22Å; V44-L48 WeakPolarHBondContact O-CB 3.44Å; V44-L48 VanDerWaalsContact O-CG 3.28Å; V44-L48 WeakPolarHBondContact O-CG 3.48Å; V44-L48 PolarHBondContact O-N 3.19Å; V44-I56 HydrophobicContact CG2-CD1 3.94Å |
| 45 | S | 97.7 | Very high | 98.2 | Very high | 61 Ų | 61 | 60.9 Ų | 60.9 | 43% | 0.427 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.1 | -47.5 | 175.6 | -172.3 | 0 | 0 | 0 | 0 | 111.5 | K41 A42 L43 W47 L48 Q49 | K41-S45 WeakPolarHBondContact O-CB 3.29Å; K41-S45 PolarHBondContact O-N 3.26Å; A42-S45 VanDerWaalsContact O-CB 3.31Å; A42-S45 WeakPolarHBondContact O-CB 3.45Å; A42-S45 PolarHBondContact O-N 3.1Å; A42-S45 VanDerWaalsContact O-N 3.15Å; L43-S45 VanDerWaalsContact C-N 3.27Å; L43-S45 PolarHBondContact O-N 3.15Å; S45-W47 VanDerWaalsContact C-N 3.33Å; S45-W47 PolarHBondContact O-N 3.5Å; S45-L48 PolarHBondContact O-N 3.31Å; S45-Q49 WeakPolarHBondContact O-CB 3.48Å; S45-Q49 PolarHBondContact O-N 3.45Å |
| 46 | V | 98.3 | Very high | 98.3 | Very high | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 175.6 | 178.8 | 0 | 0 | 0 | 0 | 110.7 | A42 L43 L48 Q49 C50 T54 L71 A108 Q109 C112 | A42-V46 PolarHBondContact O-N 3.42Å; A42-V46 VanDerWaalsContact O-N 3.07Å; L43-V46 PolarHBondContact O-N 3.22Å; V46-L48 PolarHBondContact O-N 3.22Å; V46-Q49 PolarHBondContact O-N 2.99Å; V46-C50 PolarHBondContact O-N 2.91Å; V46-T54 HydrophobicContact CG1-CG2 4.47Å; V46-L71 HydrophobicContact CB-CD2 4.23Å; V46-L71 HydrophobicContact CG1-CD2 3.79Å; V46-A108 HydrophobicContact CG1-CB 4.35Å; V46-A108 HydrophobicContact CG2-CB 4.29Å; V46-Q109 HydrophobicContact CG2-CB 4.09Å; V46-C112 HydrophobicContact CG1-CB 3.91Å |
| 47 | W | 98.2 | Very high | 98.3 | Very high | 104 Ų | 104 | 59.3 Ų | 59.3 | 39% | 0.394 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.3 | -43 | 178.1 | 172.4 | 73.8 | 0 | 0 | 0 | 112.9 | L43 V44 S45 Q49 C50 P51 T54 I56 | L43-W47 PolarHBondContact O-N 2.85Å; V44-W47 PolarHBondContact O-N 2.88Å; S45-W47 VanDerWaalsContact C-N 3.33Å; S45-W47 PolarHBondContact O-N 3.5Å; W47-Q49 VanDerWaalsContact C-N 3.26Å; W47-Q49 PolarHBondContact O-N 2.89Å; W47-C50 CarbonylContact O-C 3.58Å; W47-C50 PolarHBondContact O-N 2.96Å; W47-P51 WeakPolarHBondContact O-CA 3.4Å; W47-P51 WeakPolarHBondContact O-CB 3.45Å; W47-P51 WeakPolarHBondContact O-CD 3.25Å; W47-T54 WeakPolarHBondContact CA-OG1 3.41Å; W47-T54 VanDerWaalsContact CD1-OG1 3.31Å; W47-I56 HydrophobicContact CB-CD1 3.76Å; W47-I56 HydrophobicContact CB-CG1 4.13Å; W47-I56 HydrophobicContact CG-CD1 4.27Å; W47-I56 HydrophobicContact CG-CG1 4.47Å |
| 48 | L | 98.1 | Very high | 98.3 | Very high | 112 Ų | 112 | 57.2 Ų | 57.2 | 59% | 0.586 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -65.1 | -31.4 | 176 | -74.9 | 172.7 | 0 | 0 | 0 | 112.5 | V44 S45 V46 | V44-L48 HydrophobicContact CG1-CD1 3.9Å; V44-L48 HydrophobicContact CG1-CG 4.22Å; V44-L48 WeakPolarHBondContact O-CB 3.44Å; V44-L48 VanDerWaalsContact O-CG 3.28Å; V44-L48 WeakPolarHBondContact O-CG 3.48Å; V44-L48 PolarHBondContact O-N 3.19Å; S45-L48 PolarHBondContact O-N 3.31Å; V46-L48 PolarHBondContact O-N 3.22Å |
| 49 | Q | 97.9 | Very high | 98.3 | Very high | 57 Ų | 57 | 54.7 Ų | 54.7 | 27% | 0.266 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -76.1 | -41.7 | 178 | -173.8 | 178.4 | -8.3 | 0 | 0 | 112 | S45 V46 W47 P51 C112 N113 Q116 | S45-Q49 WeakPolarHBondContact O-CB 3.48Å; S45-Q49 PolarHBondContact O-N 3.45Å; V46-Q49 PolarHBondContact O-N 2.99Å; W47-Q49 VanDerWaalsContact C-N 3.26Å; W47-Q49 PolarHBondContact O-N 2.89Å; Q49-P51 WeakPolarHBondContact O-CD 3.47Å; Q49-C112 VanDerWaalsContact CD-SG 3.57Å; Q49-C112 VanDerWaalsContact CG-SG 3.51Å; Q49-N113 PolarHBondContact NE2-OD1 2.85Å; Q49-Q116 PolarHBondContact O-NE2 2.99Å |
| 50 | C | 98.1 | Very high | 98.3 | Very high | 4 Ų | 4 | 55.7 Ų | 55.7 | 3% | 0.027 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -122.9 | 55.5 | -177.1 | -70.9 | 0 | 0 | 0 | 0 | 113.3 | V46 W47 T52 I53 T54 C112 | V46-C50 PolarHBondContact O-N 2.91Å; W47-C50 CarbonylContact O-C 3.58Å; W47-C50 PolarHBondContact O-N 2.96Å; C50-T52 PolarHBondContact O-N 3.04Å; C50-T52 VanDerWaalsContact O-N 3.16Å; C50-I53 HydrophobicContact CB-CD1 3.99Å; C50-I53 HydrophobicContact CB-CG1 3.67Å; C50-I53 PolarHBondContact O-N 2.87Å; C50-I53 VanDerWaalsContact O-N 3.15Å; C50-T54 HydrophobicContact CB-CG2 4.09Å; C50-T54 WeakPolarHBondContact O-CB 3.27Å; C50-T54 WeakPolarHBondContact O-CG2 3.39Å; C50-T54 PolarHBondContact O-N 2.88Å; C50-T54 PolarHBondContact O-OG1 3.05Å; C50-C112 HydrophobicContact CB-CB 3.91Å; C50-C112 WeakPolarHBondContact CB-SG 3.5Å; C50-C112 WeakPolarHBondContact SG-CA 3.29Å; C50-C112 WeakPolarHBondContact SG-CB 3.36Å; C50-C112 PolarHBondContact SG-O 2.71Å; C50-C112 CovalentContact SG-SG 2.04Å; C50-C112 PolarHBondContact SG-SG 3.2Å |
| 51 | P | 97.9 | Very high | 98.3 | Very high | 70 Ų | 70 | 55.4 Ų | 55.4 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -22 | -168.8 | 27.8 | -36.4 | 0 | 0 | 0 | 113.8 | W47 Q49 I53 | W47-P51 WeakPolarHBondContact O-CA 3.4Å; W47-P51 WeakPolarHBondContact O-CB 3.45Å; W47-P51 WeakPolarHBondContact O-CD 3.25Å; Q49-P51 WeakPolarHBondContact O-CD 3.47Å; P51-I53 VanDerWaalsContact C-N 3.31Å |
| 52 | T | 97.9 | Very high | 98.3 | Very high | 103 Ų | 103 | 48.9 Ų | 48.9 | 63% | 0.632 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -20.2 | 179.5 | 56.3 | 0 | 0 | 0 | 0 | 113 | C50 | C50-T52 PolarHBondContact O-N 3.04Å; C50-T52 VanDerWaalsContact O-N 3.16Å |
| 53 | I | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -122.8 | 12.4 | -176.3 | 60.9 | 155 | 0 | 0 | 0 | 112.9 | C50 P51 M73 S74 Y115 I126 | C50-I53 HydrophobicContact CB-CD1 3.99Å; C50-I53 HydrophobicContact CB-CG1 3.67Å; C50-I53 PolarHBondContact O-N 2.87Å; C50-I53 VanDerWaalsContact O-N 3.15Å; P51-I53 VanDerWaalsContact C-N 3.31Å; I53-M73 HydrophobicContact CD1-CE 4.3Å; I53-M73 VanDerWaalsContact O-CA 3.23Å; I53-M73 WeakPolarHBondContact O-CA 3.29Å; I53-S74 CarbonylContact C-O 3.56Å; I53-S74 VanDerWaalsContact C-O 3.29Å; I53-S74 WeakPolarHBondContact CA-O 3.39Å; I53-S74 WeakPolarHBondContact CB-O 3.43Å; I53-S74 PolarHBondContact O-N 2.8Å; I53-S74 VanDerWaalsContact O-N 3.15Å; I53-S74 VanDerWaalsContact O-O 3.14Å; I53-Y115 HydrophobicContact CD1-CD1 3.55Å; I53-Y115 HydrophobicContact CD1-CD2 3.88Å; I53-Y115 HydrophobicContact CD1-CE1 3.94Å; I53-Y115 HydrophobicContact CD1-CE2 4.24Å; I53-Y115 HydrophobicContact CD1-CG 3.52Å; I53-Y115 HydrophobicContact CG1-CD1 4.35Å; I53-Y115 HydrophobicContact CG1-CE1 4.36Å; I53-Y115 HydrophobicContact CG2-CE1 3.85Å; I53-Y115 HydrophobicContact CG2-CE2 4.15Å; I53-I126 HydrophobicContact CB-CG2 4.26Å; I53-I126 HydrophobicContact CD1-CD1 3.93Å; I53-I126 HydrophobicContact CD1-CG2 4.31Å; I53-I126 HydrophobicContact CG2-CG2 4.48Å |
| 54 | T | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.018 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 149.4 | -177.2 | 58 | 0 | 0 | 0 | 0 | 112.6 | V46 W47 C50 E72 M73 | V46-T54 HydrophobicContact CG1-CG2 4.47Å; W47-T54 WeakPolarHBondContact CA-OG1 3.41Å; W47-T54 VanDerWaalsContact CD1-OG1 3.31Å; C50-T54 HydrophobicContact CB-CG2 4.09Å; C50-T54 WeakPolarHBondContact O-CB 3.27Å; C50-T54 WeakPolarHBondContact O-CG2 3.39Å; C50-T54 PolarHBondContact O-N 2.88Å; C50-T54 PolarHBondContact O-OG1 3.05Å; T54-E72 CarbonylContact C-O 3.21Å; T54-E72 WeakPolarHBondContact CA-O 3.42Å; T54-M73 HydrophobicContact CG2-CE 3.9Å; T54-M73 HydrophobicContact CG2-CG 4.13Å |
| 55 | R | 98.7 | Very high | 98.4 | Very high | 109 Ų | 109 | 58.6 Ų | 58.6 | 41% | 0.411 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 132.4 | 170.7 | 169.2 | -179.1 | 169.6 | 179.6 | -10.7 | 109.8 | E72 P77 G78 | R55-E72 HydrophobicContact CB-CB 4.19Å; R55-E72 PolarHBondContact N-O 3.49Å; R55-E72 WeakPolarHBondContact O-CB 3.42Å; R55-E72 PolarHBondContact O-N 2.79Å; R55-P77 HydrophobicContact CB-CB 3.88Å; R55-G78 PolarHBondContact NH1-O 3.01Å |
| 56 | I | 98.7 | Very high | 98.4 | Very high | 49 Ų | 49 | 58.1 Ų | 58.1 | 25% | 0.251 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 135.1 | 170.4 | -59.1 | 169 | 0 | 0 | 0 | 108.5 | L43 V44 W47 L69 V70 L71 | L43-I56 HydrophobicContact CB-CD1 4.02Å; V44-I56 HydrophobicContact CG2-CD1 3.94Å; W47-I56 HydrophobicContact CB-CD1 3.76Å; W47-I56 HydrophobicContact CB-CG1 4.13Å; W47-I56 HydrophobicContact CG-CD1 4.27Å; W47-I56 HydrophobicContact CG-CG1 4.47Å; I56-L69 HydrophobicContact CG2-CD2 4.23Å; I56-V70 WeakPolarHBondContact CA-O 3.47Å; I56-L71 HydrophobicContact CD1-CD1 4.33Å; I56-L71 HydrophobicContact CG1-CD1 3.49Å; I56-L71 VanDerWaalsContact CG1-CD1 3.49Å |
| 57 | Y | 98.8 | Very high | 98.4 | Very high | 38 Ų | 38 | 60.8 Ų | 60.8 | 15% | 0.149 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 170.5 | 169.1 | 67.3 | -86.8 | 0 | 0 | 0 | 110.8 | I59 V70 E72 H132 W215 | Y57-I59 HydrophobicContact CD2-CG2 4.07Å; Y57-I59 HydrophobicContact CE2-CG2 3.57Å; Y57-V70 HydrophobicContact CD1-CB 4.21Å; Y57-V70 HydrophobicContact CD1-CG1 4.42Å; Y57-V70 HydrophobicContact CD2-CB 4.28Å; Y57-V70 HydrophobicContact CE1-CB 3.83Å; Y57-V70 HydrophobicContact CE1-CG1 3.63Å; Y57-V70 HydrophobicContact CE2-CB 3.89Å; Y57-V70 HydrophobicContact CE2-CG1 4.26Å; Y57-V70 HydrophobicContact CE2-CG2 4.04Å; Y57-V70 HydrophobicContact CG-CB 4.43Å; Y57-V70 PolarHBondContact N-O 2.95Å; Y57-V70 PolarHBondContact O-N 3.38Å; Y57-E72 HydrophobicContact CD1-CB 4.43Å; Y57-E72 HydrophobicContact CE1-CB 4.07Å; Y57-H132 AromaticContact CE1-ND1 3.57Å; Y57-H132 AromaticContact CZ-ND1 3.66Å; Y57-H132 PolarHBondContact OH-CE1 3.16Å; Y57-H132 PolarHBondContact OH-ND1 3.09Å; Y57-W215 AromaticContact CE2-NE1 3.92Å; Y57-W215 AromaticContact CZ-NE1 3.84Å; Y57-W215 PolarHBondContact OH-NE1 3Å |
| 58 | T | 98.6 | Very high | 98.5 | Very high | 61 Ų | 61 | 55.8 Ų | 55.8 | 37% | 0.374 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 144.7 | 173.3 | 179.1 | 0 | 0 | 0 | 0 | 109.8 | G60 L68 | T58-G60 PolarHBondContact OG1-N 3.1Å; T58-G60 PolarHBondContact OG1-O 2.84Å; T58-L68 WeakPolarHBondContact CA-O 3.32Å; T58-L68 PolarHBondContact OG1-O 3.21Å |
| 59 | I | 98.6 | Very high | 98.5 | Very high | 32 Ų | 32 | 51.1 Ų | 51.1 | 16% | 0.164 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -1.8 | 174.5 | 65.1 | 159.6 | 0 | 0 | 0 | 113.1 | Y57 L68 V70 M134 A211 V212 W215 | Y57-I59 HydrophobicContact CD2-CG2 4.07Å; Y57-I59 HydrophobicContact CE2-CG2 3.57Å; I59-L68 HydrophobicContact CG1-CB 3.75Å; I59-L68 HydrophobicContact CG1-CD1 4.38Å; I59-L68 PolarHBondContact N-O 3.24Å; I59-L68 VanDerWaalsContact N-O 3.13Å; I59-V70 HydrophobicContact CG2-CG2 3.98Å; I59-M134 HydrophobicContact CD1-CE 3.24Å; I59-M134 HydrophobicContact CG1-CE 3.63Å; I59-A211 HydrophobicContact CD1-CB 4.01Å; I59-A211 HydrophobicContact CG1-CB 4.1Å; I59-A211 WeakPolarHBondContact O-CB 3.45Å; I59-V212 HydrophobicContact CD1-CB 4.45Å; I59-V212 HydrophobicContact CD1-CG2 3.75Å; I59-W215 HydrophobicContact CB-CB 4.3Å; I59-W215 HydrophobicContact CB-CG 4.44Å; I59-W215 HydrophobicContact CD1-CB 3.98Å; I59-W215 HydrophobicContact CD1-CD2 4.32Å; I59-W215 HydrophobicContact CD1-CE3 4.19Å; I59-W215 HydrophobicContact CD1-CG 4.27Å; I59-W215 HydrophobicContact CG2-CB 4.04Å; I59-W215 HydrophobicContact CG2-CD2 4.11Å; I59-W215 HydrophobicContact CG2-CG 3.67Å |
| 60 | G | 98.4 | Very high | 98.6 | Very high | 25 Ų | 25 | 48.4 Ų | 48.4 | 26% | 0.258 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 150.8 | -170.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | T58 L68 | T58-G60 PolarHBondContact OG1-N 3.1Å; T58-G60 PolarHBondContact OG1-O 2.84Å; G60-L68 PolarHBondContact O-N 3.25Å |
| 61 | E | 98.6 | Very high | 98.6 | Very high | 118 Ų | 118 | 48.2 Ų | 48.2 | 55% | 0.551 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 149.6 | 178.2 | -65.3 | 176.8 | 179.5 | 0 | 0 | 110.1 | R66 | E61-R66 CarbonylContact C-O 3.29Å; E61-R66 VanDerWaalsContact CA-O 3.29Å; E61-R66 WeakPolarHBondContact CA-O 3.33Å |
| 62 | S | 98.8 | Very high | 98.7 | Very high | 6 Ų | 6 | 45 Ų | 45 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | trans | -66.4 | 172.9 | 166.3 | 71.1 | 0 | 0 | 0 | 0 | 111.5 | E64 G65 R66 D140 E208 | S62-E64 VanDerWaalsContact C-N 3.27Å; S62-E64 PolarHBondContact O-N 3.28Å; S62-G65 PolarHBondContact O-N 3.27Å; S62-R66 PolarHBondContact N-O 3.24Å; S62-R66 WeakPolarHBondContact OG-CB 3.47Å; S62-R66 PolarHBondContact OG-N 2.81Å; S62-R66 PolarHBondContact OG-O 3.08Å; S62-D140 VanDerWaalsContact CB-OD1 3.28Å; S62-D140 WeakPolarHBondContact CB-OD1 3.44Å; S62-D140 WeakPolarHBondContact CB-OD2 3.22Å; S62-D140 PolarHBondContact OG-OD1 2.75Å; S62-D140 PolarHBondContact OG-OD2 3.47Å; S62-D140 VanDerWaalsContact OG-OD2 3.1Å; S62-E208 WeakPolarHBondContact CA-OE1 2.98Å; S62-E208 WeakPolarHBondContact CB-OE1 2.88Å | ||
| 63 | F | 98.4 | Very high | 98.7 | Very high | 114 Ų | 114 | 40.1 Ų | 40.1 | 50% | 0.5 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -34.6 | 177.9 | -177.1 | -99.4 | 0 | 0 | 0 | 113.8 | G65 D140 A162 Q163 P207 E208 | F63-G65 VanDerWaalsContact C-N 3.3Å; F63-D140 PolarHBondContact N-OD2 2.89Å; F63-A162 HydrophobicContact CB-CB 4.17Å; F63-A162 HydrophobicContact CD1-CB 3.78Å; F63-A162 HydrophobicContact CG-CB 4.4Å; F63-Q163 HydrophobicContact CB-CG 4.04Å; F63-Q163 HydrophobicContact CD1-CG 3.7Å; F63-Q163 HydrophobicContact CD2-CG 3.33Å; F63-Q163 HydrophobicContact CE1-CG 3.92Å; F63-Q163 VanDerWaalsContact CE2-CD 3.46Å; F63-Q163 HydrophobicContact CE2-CG 3.58Å; F63-Q163 VanDerWaalsContact CE2-NE2 3.25Å; F63-Q163 HydrophobicContact CG-CG 3.38Å; F63-Q163 HydrophobicContact CZ-CG 3.86Å; F63-P207 HydrophobicContact CB-CG 3.93Å; F63-P207 HydrophobicContact CD2-CG 4.43Å; F63-E208 PolarHBondContact N-OE1 3.01Å |
| 64 | E | 98.5 | Very high | 98.7 | Very high | 120 Ų | 120 | 40 Ų | 40 | 56% | 0.561 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 10.5 | 175.8 | -62.6 | -174 | 156.7 | 0 | 0 | 113.9 | S62 R66 D140 A162 | S62-E64 VanDerWaalsContact C-N 3.27Å; S62-E64 PolarHBondContact O-N 3.28Å; E64-R66 IonicContact OE2-CZ 2.71Å; E64-R66 IonicContact OE2-NH1 3.88Å; E64-R66 PolarHBondContact OE2-NH1 3.36Å; E64-R66 IonicContact OE2-NH2 3.51Å; E64-R66 PolarHBondContact OE2-NH2 2.84Å; E64-D140 WeakPolarHBondContact CB-OD2 3.3Å; E64-D140 HydrophobicContact CG-CB 4.46Å; E64-D140 WeakPolarHBondContact CG-OD2 3.23Å; E64-D140 PolarHBondContact N-OD2 3.43Å; E64-A162 HydrophobicContact CG-CB 3.68Å |
| 65 | G | 98.5 | Very high | 98.7 | Very high | 41 Ų | 41 | 43 Ų | 43 | 42% | 0.423 | 22% | 0.218 | S | C | . | . | S | Bend | trans | 82.7 | 23.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S62 F63 | S62-G65 PolarHBondContact O-N 3.27Å; F63-G65 VanDerWaalsContact C-N 3.3Å |
| 66 | R | 98.8 | Very high | 98.6 | Very high | 51 Ų | 51 | 40.9 Ų | 40.9 | 19% | 0.192 | 22% | 0.215 | C | C | . | . | trans | -87.6 | 130.5 | 172 | -63.8 | -177.4 | -177.2 | 81.2 | 1.2 | 109.5 | Y36 E61 S62 E64 L68 P139 D140 | Y36-R66 HydrophobicContact CD1-CG 4.21Å; Y36-R66 HydrophobicContact CD2-CB 4Å; Y36-R66 HydrophobicContact CD2-CG 4.22Å; Y36-R66 HydrophobicContact CE1-CB 4.23Å; Y36-R66 HydrophobicContact CE1-CG 4.26Å; Y36-R66 HydrophobicContact CE2-CB 3.66Å; Y36-R66 HydrophobicContact CE2-CG 4.29Å; Y36-R66 HydrophobicContact CG-CB 4.43Å; Y36-R66 HydrophobicContact CG-CG 4.19Å; E61-R66 CarbonylContact C-O 3.29Å; E61-R66 VanDerWaalsContact CA-O 3.29Å; E61-R66 WeakPolarHBondContact CA-O 3.33Å; S62-R66 PolarHBondContact N-O 3.24Å; S62-R66 WeakPolarHBondContact OG-CB 3.47Å; S62-R66 PolarHBondContact OG-N 2.81Å; S62-R66 PolarHBondContact OG-O 3.08Å; E64-R66 IonicContact OE2-CZ 2.71Å; E64-R66 IonicContact OE2-NH1 3.88Å; E64-R66 PolarHBondContact OE2-NH1 3.36Å; E64-R66 IonicContact OE2-NH2 3.51Å; E64-R66 PolarHBondContact OE2-NH2 2.84Å; R66-L68 PolarHBondContact O-N 3.35Å; R66-P139 HydrophobicContact CB-CB 4.17Å; R66-P139 HydrophobicContact CB-CG 3.81Å; R66-D140 IonicContact CZ-OD1 2.84Å; R66-D140 VanDerWaalsContact NH1-CG 3.32Å; R66-D140 IonicContact NH1-OD1 3.53Å; R66-D140 PolarHBondContact NH1-OD1 3.44Å | ||
| 67 | E | 98.8 | Very high | 98.6 | Very high | 57 Ų | 57 | 40.3 Ų | 40.3 | 27% | 0.266 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 134.3 | 177.8 | -52.6 | 171.2 | 107.7 | 0 | 0 | 110.4 | Y36 R40 L69 | Y36-E67 WeakPolarHBondContact CE2-O 3.48Å; Y36-E67 WeakPolarHBondContact OH-CA 3.43Å; Y36-E67 WeakPolarHBondContact OH-CB 3.4Å; Y36-E67 PolarHBondContact OH-N 3.4Å; Y36-E67 PolarHBondContact OH-O 2.86Å; R40-E67 IonicContact CZ-OE2 3.37Å; R40-E67 IonicContact NH1-OE2 3.47Å; R40-E67 PolarHBondContact NH1-OE2 3.11Å; E67-L69 HydrophobicContact CB-CD2 3.87Å; E67-L69 HydrophobicContact CB-CG 4.09Å; E67-L69 PolarHBondContact O-N 3.26Å; E67-L69 VanDerWaalsContact O-N 3.13Å |
| 68 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 86.8 | 171.3 | -59.2 | 178.1 | 0 | 0 | 0 | 108.1 | T58 I59 G60 R66 M134 M137 P139 E208 A211 | T58-L68 WeakPolarHBondContact CA-O 3.32Å; T58-L68 PolarHBondContact OG1-O 3.21Å; I59-L68 HydrophobicContact CG1-CB 3.75Å; I59-L68 HydrophobicContact CG1-CD1 4.38Å; I59-L68 PolarHBondContact N-O 3.24Å; I59-L68 VanDerWaalsContact N-O 3.13Å; G60-L68 PolarHBondContact O-N 3.25Å; R66-L68 PolarHBondContact O-N 3.35Å; L68-M134 HydrophobicContact CB-CE 4.42Å; L68-M137 WeakPolarHBondContact CD2-O 3.41Å; L68-P139 HydrophobicContact CD2-CG 3.92Å; L68-E208 HydrophobicContact CD1-CB 4.24Å; L68-E208 HydrophobicContact CD1-CG 4.33Å; L68-E208 HydrophobicContact CD2-CG 4.33Å; L68-A211 HydrophobicContact CD1-CB 3.7Å |
| 69 | L | 98.9 | Very high | 98.2 | Very high | 14 Ų | 14 | 40.2 Ų | 40.2 | 7% | 0.073 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 137.6 | -171.4 | -65 | 173.1 | 0 | 0 | 0 | 112.2 | L39 R40 L43 I56 E67 | L39-L69 HydrophobicContact CD2-CD1 3.96Å; R40-L69 HydrophobicContact CB-CD1 4.1Å; R40-L69 HydrophobicContact CG-CD1 4.24Å; L43-L69 HydrophobicContact CD1-CB 3.97Å; L43-L69 HydrophobicContact CD1-CD1 4.41Å; I56-L69 HydrophobicContact CG2-CD2 4.23Å; E67-L69 HydrophobicContact CB-CD2 3.87Å; E67-L69 HydrophobicContact CB-CG 4.09Å; E67-L69 PolarHBondContact O-N 3.26Å; E67-L69 VanDerWaalsContact O-N 3.13Å |
| 70 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 132.9 | 172.3 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | I56 Y57 I59 H132 L133 M134 W215 | I56-V70 WeakPolarHBondContact CA-O 3.47Å; Y57-V70 HydrophobicContact CD1-CB 4.21Å; Y57-V70 HydrophobicContact CD1-CG1 4.42Å; Y57-V70 HydrophobicContact CD2-CB 4.28Å; Y57-V70 HydrophobicContact CE1-CB 3.83Å; Y57-V70 HydrophobicContact CE1-CG1 3.63Å; Y57-V70 HydrophobicContact CE2-CB 3.89Å; Y57-V70 HydrophobicContact CE2-CG1 4.26Å; Y57-V70 HydrophobicContact CE2-CG2 4.04Å; Y57-V70 HydrophobicContact CG-CB 4.43Å; Y57-V70 PolarHBondContact N-O 2.95Å; Y57-V70 PolarHBondContact O-N 3.38Å; I59-V70 HydrophobicContact CG2-CG2 3.98Å; V70-H132 HydrophobicContact CG1-CB 3.96Å; V70-L133 CarbonylContact C-O 3.24Å; V70-L133 WeakPolarHBondContact CA-O 3.41Å; V70-M134 HydrophobicContact CG2-CB 4.21Å; V70-M134 HydrophobicContact CG2-CE 3.56Å; V70-W215 HydrophobicContact CG1-CZ2 4.16Å; V70-W215 HydrophobicContact CG2-CZ2 4.26Å |
| 71 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 116.2 | 165.4 | -175.4 | 76.6 | 0 | 0 | 0 | 108.9 | L43 V46 I56 M73 A108 L133 | L43-L71 HydrophobicContact CD2-CB 4.18Å; L43-L71 HydrophobicContact CD2-CD2 4.41Å; V46-L71 HydrophobicContact CB-CD2 4.23Å; V46-L71 HydrophobicContact CG1-CD2 3.79Å; I56-L71 HydrophobicContact CD1-CD1 4.33Å; I56-L71 HydrophobicContact CG1-CD1 3.49Å; I56-L71 VanDerWaalsContact CG1-CD1 3.49Å; L71-M73 HydrophobicContact CD2-CG 4.38Å; L71-M73 HydrophobicContact CD2-SD 4.4Å; L71-M73 HydrophobicContact CG-CG 4.48Å; L71-A108 HydrophobicContact CD2-CB 3.46Å; L71-A108 VanDerWaalsContact CD2-CB 3.46Å; L71-L133 PolarHBondContact N-O 3.25Å; L71-L133 WeakPolarHBondContact O-CB 3.11Å; L71-L133 PolarHBondContact O-N 3.06Å |
| 72 | E | 98.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.009 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 139.6 | 170.2 | -171.7 | 179.8 | 149.1 | 0 | 0 | 110.5 | T54 R55 Y57 P77 G78 R130 I131 H132 | T54-E72 CarbonylContact C-O 3.21Å; T54-E72 WeakPolarHBondContact CA-O 3.42Å; R55-E72 HydrophobicContact CB-CB 4.19Å; R55-E72 PolarHBondContact N-O 3.49Å; R55-E72 WeakPolarHBondContact O-CB 3.42Å; R55-E72 PolarHBondContact O-N 2.79Å; Y57-E72 HydrophobicContact CD1-CB 4.43Å; Y57-E72 HydrophobicContact CE1-CB 4.07Å; E72-P77 VanDerWaalsContact OE1-CA 3.32Å; E72-P77 WeakPolarHBondContact OE1-CA 3.44Å; E72-G78 PolarHBondContact OE1-N 2.93Å; E72-R130 VanDerWaalsContact CD-NH2 3.27Å; E72-R130 HydrophobicContact CG-CG 4.39Å; E72-R130 IonicContact OE1-CZ 3.94Å; E72-R130 VanDerWaalsContact OE1-CZ 3.23Å; E72-R130 IonicContact OE1-NE 3.44Å; E72-R130 PolarHBondContact OE1-NE 3.22Å; E72-R130 IonicContact OE1-NH2 3.4Å; E72-R130 PolarHBondContact OE1-NH2 3.11Å; E72-R130 IonicContact OE2-NH2 2.54Å; E72-R130 PolarHBondContact OE2-NH2 3.5Å; E72-R130 VanDerWaalsContact OE2-NH2 3.14Å; E72-I131 CarbonylContact C-O 3.58Å; E72-I131 VanDerWaalsContact CA-O 3.3Å; E72-I131 WeakPolarHBondContact CA-O 3.25Å; E72-H132 IonicContact OE2-CE1 3.55Å |
| 73 | M | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 122.2 | 170.1 | -48 | -169.4 | 69.3 | 0 | 0 | 110.5 | I53 T54 L71 L111 C112 I126 I131 L133 | I53-M73 HydrophobicContact CD1-CE 4.3Å; I53-M73 VanDerWaalsContact O-CA 3.23Å; I53-M73 WeakPolarHBondContact O-CA 3.29Å; T54-M73 HydrophobicContact CG2-CE 3.9Å; T54-M73 HydrophobicContact CG2-CG 4.13Å; L71-M73 HydrophobicContact CD2-CG 4.38Å; L71-M73 HydrophobicContact CD2-SD 4.4Å; L71-M73 HydrophobicContact CG-CG 4.48Å; M73-L111 HydrophobicContact CE-CB 3.75Å; M73-L111 HydrophobicContact SD-CB 3.87Å; M73-L111 HydrophobicContact SD-CD1 3.83Å; M73-C112 HydrophobicContact CE-CB 4.25Å; M73-I126 HydrophobicContact CE-CD1 4.26Å; M73-I131 HydrophobicContact CB-CB 4.37Å; M73-I131 PolarHBondContact N-O 3.29Å; M73-I131 PolarHBondContact O-N 3.04Å; M73-L133 HydrophobicContact SD-CD1 4.2Å |
| 74 | S | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -166.1 | 159.7 | 178.3 | 162 | 0 | 0 | 0 | 0 | 107.4 | I53 N76 P77 I126 | I53-S74 CarbonylContact C-O 3.56Å; I53-S74 VanDerWaalsContact C-O 3.29Å; I53-S74 WeakPolarHBondContact CA-O 3.39Å; I53-S74 WeakPolarHBondContact CB-O 3.43Å; I53-S74 PolarHBondContact O-N 2.8Å; I53-S74 VanDerWaalsContact O-N 3.15Å; I53-S74 VanDerWaalsContact O-O 3.14Å; S74-N76 PolarHBondContact O-N 3.03Å; S74-N76 PolarHBondContact OG-N 2.77Å; S74-N76 VanDerWaalsContact OG-N 3.07Å; S74-P77 WeakPolarHBondContact O-CD 3.1Å; S74-I126 WeakPolarHBondContact CA-O 3.1Å |
| 75 | D | 97.8 | Very high | 98 | Very high | 66 Ų | 66 | 30.2 Ų | 30.2 | 35% | 0.353 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -72.1 | -12.3 | 170 | 64.9 | -43.6 | 0 | 0 | 0 | 114.3 | I126 H127 | D75-I126 PolarHBondContact N-O 3.26Å; D75-H127 WeakPolarHBondContact OD1-CA 3.44Å |
| 76 | N | 97.9 | Very high | 98 | Very high | 65 Ų | 65 | 28.3 Ų | 28.3 | 35% | 0.348 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -129 | 62.9 | 173.3 | -166.4 | 18.9 | 0 | 0 | 0 | 112.6 | S74 G78 T79 E81 | S74-N76 PolarHBondContact O-N 3.03Å; S74-N76 PolarHBondContact OG-N 2.77Å; S74-N76 VanDerWaalsContact OG-N 3.07Å; N76-G78 PolarHBondContact O-N 3.05Å; N76-T79 PolarHBondContact O-N 3.18Å; N76-E81 HydrophobicContact CB-CG 4.29Å; N76-E81 WeakPolarHBondContact CB-OE2 3.43Å |
| 77 | P | 97.8 | Very high | 98 | Very high | 36 Ų | 36 | 25.9 Ų | 25.9 | 23% | 0.234 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 129.5 | -169.7 | 27.8 | -35 | 0 | 0 | 0 | 111.8 | R55 E72 S74 | R55-P77 HydrophobicContact CB-CB 3.88Å; E72-P77 VanDerWaalsContact OE1-CA 3.32Å; E72-P77 WeakPolarHBondContact OE1-CA 3.44Å; S74-P77 WeakPolarHBondContact O-CD 3.1Å |
| 78 | G | 96.6 | Very high | 98.1 | Very high | 22 Ų | 22 | 23.1 Ų | 23.1 | 23% | 0.227 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 105.7 | -4.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | R55 E72 N76 R130 | R55-G78 PolarHBondContact NH1-O 3.01Å; E72-G78 PolarHBondContact OE1-N 2.93Å; N76-G78 PolarHBondContact O-N 3.05Å; G78-R130 VanDerWaalsContact C-NH2 3.26Å |
| 79 | T | 93.6 | Very high | 98.1 | Very high | 76 Ų | 76 | 23.1 Ų | 23.1 | 47% | 0.466 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -130.6 | 137.6 | -178.8 | -51.2 | 0 | 0 | 0 | 0 | 109.3 | N76 R130 | N76-T79 PolarHBondContact O-N 3.18Å; T79-R130 WeakPolarHBondContact O-CD 3.41Å; T79-R130 PolarHBondContact O-NE 3.04Å |
| 80 | H | 96.5 | Very high | 98.1 | Very high | 38 Ų | 38 | 22.5 Ų | 22.5 | 18% | 0.176 | 13% | 0.134 | C | C | . | . | P | Polyproline II helix | trans | -77 | 126.1 | 168.2 | 175.2 | 65.8 | 0 | 0 | 0 | 109.3 | E84 E86 D389 W391 | H80-E84 PolarHBondContact CE1-O 3.44Å; H80-E86 IonicContact CE1-OE1 3.92Å; H80-E86 IonicContact CG-OE1 2.98Å; H80-E86 IonicContact ND1-OE1 3.42Å; H80-E86 PolarHBondContact ND1-OE1 3.5Å; H80-D389 IonicContact CE1-OD2 3.45Å; H80-D389 IonicContact NE2-OD2 3.36Å; H80-D389 PolarHBondContact NE2-OD2 2.87Å; H80-D389 VanDerWaalsContact NE2-OD2 3.1Å; H80-W391 AromaticContact CE1-CH2 3.58Å; H80-W391 AromaticContact NE2-CH2 3.86Å |
| 81 | E | 98 | Very high | 98.1 | Very high | 65 Ų | 65 | 22.6 Ų | 22.6 | 30% | 0.304 | 14% | 0.135 | S | C | . | . | P | Polyproline II helix | trans | -97.3 | 125.1 | 174.5 | -63.9 | -166.3 | 87.3 | 0 | 0 | 110.9 | N76 G83 E84 | N76-E81 HydrophobicContact CB-CG 4.29Å; N76-E81 WeakPolarHBondContact CB-OE2 3.43Å; E81-G83 PolarHBondContact O-N 3.14Å; E81-G83 VanDerWaalsContact O-N 3.16Å; E81-E84 HydrophobicContact CB-CB 3.99Å; E81-E84 WeakPolarHBondContact O-CB 3.38Å; E81-E84 PolarHBondContact O-N 2.93Å |
| 82 | P | 97.6 | Very high | 98.1 | Very high | 73 Ų | 73 | 22.6 Ų | 22.6 | 47% | 0.474 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 123.6 | -174.7 | -25.7 | 33.3 | 0 | 0 | 0 | 113.1 | F359 D387 D389 | P82-F359 HydrophobicContact CB-CE1 3.76Å; P82-F359 HydrophobicContact CB-CZ 4.13Å; P82-D387 HydrophobicContact CB-CB 3.86Å; P82-D387 HydrophobicContact CG-CB 3.75Å; P82-D389 VanDerWaalsContact CA-OD2 3.29Å; P82-D389 WeakPolarHBondContact CA-OD2 3.39Å |
| 83 | G | 97.5 | Very high | 98.1 | Very high | 16 Ų | 16 | 22.6 Ų | 22.6 | 17% | 0.165 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89 | -5.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | E81 K357 D389 W391 | E81-G83 PolarHBondContact O-N 3.14Å; E81-G83 VanDerWaalsContact O-N 3.16Å; G83-K357 PolarHBondContact O-NZ 3.4Å; G83-D389 PolarHBondContact N-OD2 3.42Å; G83-W391 PolarHBondContact O-NE1 3.17Å |
| 84 | E | 98.6 | Very high | 98.1 | Very high | 13 Ų | 13 | 22.7 Ų | 22.7 | 6% | 0.061 | 14% | 0.135 | C | C | . | . | P | Polyproline II helix | trans | -83.9 | 116.6 | 168.1 | -168 | -168.6 | -151.9 | 0 | 0 | 109.9 | H80 E81 T129 R130 W391 | H80-E84 PolarHBondContact CE1-O 3.44Å; E81-E84 HydrophobicContact CB-CB 3.99Å; E81-E84 WeakPolarHBondContact O-CB 3.38Å; E81-E84 PolarHBondContact O-N 2.93Å; E84-T129 VanDerWaalsContact OE1-C 3.3Å; E84-T129 PolarHBondContact OE1-N 3.47Å; E84-R130 PolarHBondContact OE1-N 3.44Å; E84-W391 VanDerWaalsContact C-CZ2 3.47Å; E84-W391 WeakPolarHBondContact O-CZ2 3.4Å |
| 85 | P | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | P | Polyproline II helix | trans | -71.7 | 146.5 | 178.6 | 29.4 | -34.9 | 0 | 0 | 0 | 112.7 | N128 R130 V222 T352 H353 W391 | P85-N128 WeakPolarHBondContact CD-O 3.48Å; P85-R130 PolarHBondContact O-N 3.14Å; P85-R130 VanDerWaalsContact O-N 3.09Å; P85-V222 HydrophobicContact CB-CB 4.42Å; P85-V222 HydrophobicContact CB-CG2 3.89Å; P85-T352 HydrophobicContact CB-CG2 3.56Å; P85-T352 HydrophobicContact CG-CG2 3.98Å; P85-H353 WeakPolarHBondContact CG-CE1 3.5Å; P85-W391 HydrophobicContact CB-CD2 4.35Å; P85-W391 HydrophobicContact CB-CG 4.2Å |
| 86 | E | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 126.6 | 175.5 | -57.1 | -80.8 | -175.1 | 0 | 0 | 109.9 | H80 R130 H132 I219 P220 F221 V222 | H80-E86 IonicContact CE1-OE1 3.92Å; H80-E86 IonicContact CG-OE1 2.98Å; H80-E86 IonicContact ND1-OE1 3.42Å; H80-E86 PolarHBondContact ND1-OE1 3.5Å; E86-R130 WeakPolarHBondContact OE1-CD 3.35Å; E86-R130 IonicContact OE1-CZ 3.22Å; E86-R130 IonicContact OE1-NH1 3.31Å; E86-R130 PolarHBondContact OE1-NH1 2.98Å; E86-R130 WeakPolarHBondContact OE2-CB 3.38Å; E86-R130 VanDerWaalsContact OE2-CD 3.32Å; E86-R130 WeakPolarHBondContact OE2-CD 3.36Å; E86-R130 WeakPolarHBondContact OE2-CG 3.22Å; E86-R130 IonicContact OE2-NH1 3.81Å; E86-H132 IonicContact OE2-CD2 3.64Å; E86-H132 IonicContact OE2-NE2 3.58Å; E86-H132 PolarHBondContact OE2-NE2 3.32Å; E86-I219 HydrophobicContact CB-CG2 3.69Å; E86-I219 HydrophobicContact CG-CG2 3.56Å; E86-P220 HydrophobicContact CG-CG 3.89Å; E86-F221 HydrophobicContact CB-CD1 3.97Å; E86-F221 HydrophobicContact CB-CE1 4.41Å; E86-V222 PolarHBondContact O-N 2.84Å |
| 87 | F | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 147.7 | 178.3 | 174 | -86.9 | 0 | 0 | 0 | 110.8 | Y89 T129 R130 I131 H132 L223 Y348 I349 T352 | F87-Y89 HydrophobicContact CE1-CD1 4.23Å; F87-Y89 AromaticContact CE1-CD2 3.46Å; F87-Y89 HydrophobicContact CE1-CD2 3.46Å; F87-Y89 VanDerWaalsContact CE1-CD2 3.46Å; F87-Y89 HydrophobicContact CE1-CE1 4.42Å; F87-Y89 AromaticContact CE1-CE2 3.65Å; F87-Y89 HydrophobicContact CE1-CE2 3.65Å; F87-Y89 AromaticContact CE1-CG 3.76Å; F87-Y89 HydrophobicContact CE1-CG 3.76Å; F87-Y89 AromaticContact CZ-CD1 3.92Å; F87-Y89 HydrophobicContact CZ-CD1 3.92Å; F87-Y89 AromaticContact CZ-CD2 3.8Å; F87-Y89 HydrophobicContact CZ-CD2 3.8Å; F87-Y89 AromaticContact CZ-CE1 3.78Å; F87-Y89 HydrophobicContact CZ-CE1 3.78Å; F87-Y89 AromaticContact CZ-CE2 3.62Å; F87-Y89 HydrophobicContact CZ-CE2 3.62Å; F87-Y89 AromaticContact CZ-CG 3.93Å; F87-Y89 HydrophobicContact CZ-CG 3.93Å; F87-Y89 AromaticContact CZ-CZ 3.62Å; F87-T129 HydrophobicContact CB-CG2 3.93Å; F87-R130 PolarHBondContact N-O 3.48Å; F87-I131 HydrophobicContact CD1-CG2 4.09Å; F87-H132 PolarHBondContact O-N 2.9Å; F87-L223 HydrophobicContact CD2-CB 3.97Å; F87-L223 HydrophobicContact CD2-CD2 4.21Å; F87-L223 HydrophobicContact CD2-CG 4.11Å; F87-L223 WeakPolarHBondContact CD2-O 3.04Å; F87-L223 HydrophobicContact CE2-CB 4.37Å; F87-L223 HydrophobicContact CE2-CD2 4.07Å; F87-L223 HydrophobicContact CE2-CG 4.01Å; F87-Y348 AromaticContact CE2-CD1 3.87Å; F87-Y348 HydrophobicContact CE2-CD1 3.87Å; F87-Y348 AromaticContact CE2-CE1 3.97Å; F87-Y348 HydrophobicContact CE2-CE1 3.97Å; F87-Y348 HydrophobicContact CZ-CD1 4.02Å; F87-Y348 HydrophobicContact CZ-CE1 4.34Å; F87-I349 HydrophobicContact CD1-CG1 3.99Å; F87-I349 HydrophobicContact CD1-CG2 4.11Å; F87-I349 HydrophobicContact CD2-CG2 4.46Å; F87-I349 HydrophobicContact CE1-CB 4.47Å; F87-I349 HydrophobicContact CE1-CD1 4.43Å; F87-I349 HydrophobicContact CE1-CG1 3.59Å; F87-I349 HydrophobicContact CE2-CG1 4.33Å; F87-I349 HydrophobicContact CG-CG2 4.08Å; F87-I349 HydrophobicContact CZ-CB 4.49Å; F87-I349 HydrophobicContact CZ-CG1 3.78Å; F87-T352 HydrophobicContact CB-CG2 4.49Å; F87-T352 VanDerWaalsContact CD2-OG1 3.26Å; F87-T352 WeakPolarHBondContact CD2-OG1 3.41Å |
| 88 | K | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 147.3 | 169.4 | 68.2 | -178.5 | -172.1 | -68.8 | 0 | 115.7 | I90 H132 W215 F221 L223 S224 A225 N310 C316 E318 | K88-I90 HydrophobicContact CD-CD1 4.11Å; K88-I90 HydrophobicContact CD-CG1 4.39Å; K88-H132 CarbonylContact C-O 3.5Å; K88-H132 WeakPolarHBondContact CA-O 3.28Å; K88-H132 HydrophobicContact CB-CB 4.16Å; K88-W215 HydrophobicContact CB-CH2 3.73Å; K88-W215 HydrophobicContact CB-CZ2 4.25Å; K88-W215 HydrophobicContact CB-CZ3 4.49Å; K88-W215 HydrophobicContact CD-CE3 4.21Å; K88-W215 HydrophobicContact CD-CH2 3.63Å; K88-W215 HydrophobicContact CD-CZ2 4.31Å; K88-W215 HydrophobicContact CD-CZ3 3.58Å; K88-W215 HydrophobicContact CG-CH2 4.26Å; K88-F221 HydrophobicContact CB-CD1 3.91Å; K88-F221 HydrophobicContact CB-CE1 3.56Å; K88-F221 HydrophobicContact CB-CZ 4.07Å; K88-F221 HydrophobicContact CD-CD1 3.98Å; K88-F221 HydrophobicContact CD-CD2 3.85Å; K88-F221 HydrophobicContact CD-CE1 3.95Å; K88-F221 HydrophobicContact CD-CE2 3.79Å; K88-F221 HydrophobicContact CD-CG 3.94Å; K88-F221 HydrophobicContact CD-CZ 3.86Å; K88-F221 HydrophobicContact CG-CD1 3.93Å; K88-F221 HydrophobicContact CG-CE1 4Å; K88-F221 HydrophobicContact CG-CG 4.28Å; K88-F221 HydrophobicContact CG-CZ 4.39Å; K88-L223 PolarHBondContact N-O 3.38Å; K88-L223 VanDerWaalsContact N-O 3.17Å; K88-S224 WeakPolarHBondContact CE-OG 3.41Å; K88-S224 VanDerWaalsContact CG-OG 3.23Å; K88-S224 WeakPolarHBondContact CG-OG 3.45Å; K88-S224 PolarHBondContact NZ-OG 3.29Å; K88-S224 VanDerWaalsContact O-CA 3.23Å; K88-S224 WeakPolarHBondContact O-CA 3.42Å; K88-S224 PolarHBondContact O-OG 3.46Å; K88-A225 PolarHBondContact O-N 3.35Å; K88-N310 WeakPolarHBondContact CE-OD1 3.37Å; K88-N310 PolarHBondContact NZ-OD1 2.61Å; K88-C316 PolarHBondContact NZ-SG 2.92Å; K88-E318 IonicContact NZ-OE2 2.69Å |
| 89 | Y | 99 | Very high | 98.2 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 136.6 | 158.4 | -83.7 | -52.8 | 0 | 0 | 0 | 110.2 | F87 L107 H132 L133 M134 A225 L227 L321 L345 Y348 I349 | F87-Y89 HydrophobicContact CE1-CD1 4.23Å; F87-Y89 AromaticContact CE1-CD2 3.46Å; F87-Y89 HydrophobicContact CE1-CD2 3.46Å; F87-Y89 VanDerWaalsContact CE1-CD2 3.46Å; F87-Y89 HydrophobicContact CE1-CE1 4.42Å; F87-Y89 AromaticContact CE1-CE2 3.65Å; F87-Y89 HydrophobicContact CE1-CE2 3.65Å; F87-Y89 AromaticContact CE1-CG 3.76Å; F87-Y89 HydrophobicContact CE1-CG 3.76Å; F87-Y89 AromaticContact CZ-CD1 3.92Å; F87-Y89 HydrophobicContact CZ-CD1 3.92Å; F87-Y89 AromaticContact CZ-CD2 3.8Å; F87-Y89 HydrophobicContact CZ-CD2 3.8Å; F87-Y89 AromaticContact CZ-CE1 3.78Å; F87-Y89 HydrophobicContact CZ-CE1 3.78Å; F87-Y89 AromaticContact CZ-CE2 3.62Å; F87-Y89 HydrophobicContact CZ-CE2 3.62Å; F87-Y89 AromaticContact CZ-CG 3.93Å; F87-Y89 HydrophobicContact CZ-CG 3.93Å; F87-Y89 AromaticContact CZ-CZ 3.62Å; Y89-L107 HydrophobicContact CD2-CD2 3.8Å; Y89-L107 HydrophobicContact CE2-CD2 3.82Å; Y89-H132 PolarHBondContact N-O 3.34Å; Y89-L133 HydrophobicContact CD2-CD2 3.89Å; Y89-L133 HydrophobicContact CG-CD2 4.48Å; Y89-M134 PolarHBondContact O-N 3.44Å; Y89-A225 HydrophobicContact CD1-CB 3.88Å; Y89-A225 HydrophobicContact CE1-CB 3.66Å; Y89-L227 HydrophobicContact CD1-CD1 3.46Å; Y89-L227 VanDerWaalsContact CD1-CD1 3.46Å; Y89-L227 HydrophobicContact CE1-CD1 4Å; Y89-L227 HydrophobicContact CG-CD1 4.2Å; Y89-L321 HydrophobicContact CE1-CD1 4.29Å; Y89-L345 HydrophobicContact CE1-CD2 4.22Å; Y89-L345 HydrophobicContact CE2-CB 4.45Å; Y89-L345 HydrophobicContact CE2-CD2 3.85Å; Y89-L345 WeakPolarHBondContact OH-CA 3.45Å; Y89-L345 PolarHBondContact OH-O 3.17Å; Y89-Y348 AromaticContact CE1-CD1 3.97Å; Y89-Y348 HydrophobicContact CE1-CD1 3.97Å; Y89-Y348 HydrophobicContact CE1-CE1 4.47Å; Y89-Y348 AromaticContact CZ-CD1 3.95Å; Y89-Y348 WeakPolarHBondContact OH-CB 2.94Å; Y89-Y348 WeakPolarHBondContact OH-CD1 3.3Å; Y89-I349 HydrophobicContact CE2-CD1 4.11Å; Y89-I349 HydrophobicContact CE2-CG1 3.83Å |
| 90 | I | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 10.3 Ų | 10.3 | 1% | 0.005 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 132.2 | 171.7 | -56.4 | 172.3 | 0 | 0 | 0 | 108 | K88 M134 M137 V212 W215 A225 N226 L227 M306 | K88-I90 HydrophobicContact CD-CD1 4.11Å; K88-I90 HydrophobicContact CD-CG1 4.39Å; I90-M134 HydrophobicContact CG1-CB 4.47Å; I90-M134 HydrophobicContact CG2-CG 4.43Å; I90-M134 HydrophobicContact CG2-SD 3.97Å; I90-M137 HydrophobicContact CG2-CB 3.92Å; I90-M137 HydrophobicContact CG2-SD 4.38Å; I90-V212 HydrophobicContact CD1-CG1 4.28Å; I90-W215 HydrophobicContact CD1-CE3 4.46Å; I90-W215 HydrophobicContact CD1-CZ3 3.74Å; I90-W215 HydrophobicContact CG1-CH2 4.34Å; I90-W215 HydrophobicContact CG1-CZ3 3.77Å; I90-A225 PolarHBondContact N-O 2.91Å; I90-N226 HydrophobicContact CB-CB 4.43Å; I90-N226 CarbonylContact O-C 3.59Å; I90-N226 WeakPolarHBondContact O-CA 3.44Å; I90-L227 WeakPolarHBondContact O-CD1 3.44Å; I90-L227 PolarHBondContact O-N 3.26Å; I90-M306 HydrophobicContact CB-CE 4.14Å; I90-M306 HydrophobicContact CD1-CE 3.76Å; I90-M306 HydrophobicContact CD1-SD 3.87Å; I90-M306 HydrophobicContact CG2-CE 3.99Å |
| 91 | A | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 8.5 Ų | 8.5 | 1% | 0.008 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 162.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | M93 G100 V104 M134 P135 S136 M137 L227 | A91-M93 VanDerWaalsContact C-N 3.28Å; A91-M93 PolarHBondContact O-N 2.87Å; A91-G100 VanDerWaalsContact CB-C 3.4Å; A91-G100 WeakPolarHBondContact CB-O 3.24Å; A91-V104 HydrophobicContact CB-CG2 3.85Å; A91-M134 PolarHBondContact N-O 3.32Å; A91-P135 WeakPolarHBondContact CB-O 3.32Å; A91-S136 WeakPolarHBondContact O-CA 3.4Å; A91-M137 PolarHBondContact O-N 3.24Å; A91-L227 HydrophobicContact CB-CB 3.99Å |
| 92 | N | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 4% | 0.036 | C | C | . | . | trans | 58 | 41.6 | 165.3 | -174.3 | -124.1 | 0 | 0 | 0 | 112.4 | H94 G95 E97 R101 S136 N138 L227 | N92-H94 PolarHBondContact ND2-O 2.87Å; N92-G95 VanDerWaalsContact ND2-C 3.31Å; N92-G95 WeakPolarHBondContact ND2-CA 3.15Å; N92-G95 PolarHBondContact ND2-O 3.36Å; N92-E97 PolarHBondContact ND2-O 2.79Å; N92-R101 HydrophobicContact CB-CB 3.81Å; N92-R101 PolarHBondContact OD1-NH1 3.04Å; N92-S136 PolarHBondContact OD1-OG 3.14Å; N92-N138 WeakPolarHBondContact O-CB 3.28Å; N92-N138 PolarHBondContact O-N 3.46Å; N92-L227 PolarHBondContact N-O 2.78Å | ||
| 93 | M | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 2 Ų | 2 | 1% | 0.01 | 1% | 0.014 | C | C | . | . | S | Bend | trans | -68.9 | -29.6 | 167.3 | 75.2 | 177.6 | -49.9 | 0 | 0 | 111.4 | A91 M137 N138 L167 N168 F171 H228 M306 | A91-M93 VanDerWaalsContact C-N 3.28Å; A91-M93 PolarHBondContact O-N 2.87Å; M93-M137 HydrophobicContact CB-CB 4.05Å; M93-M137 HydrophobicContact CB-CG 4.23Å; M93-M137 HydrophobicContact CB-SD 3.61Å; M93-M137 HydrophobicContact CE-SD 4.07Å; M93-N138 WeakPolarHBondContact O-CB 3.49Å; M93-N138 PolarHBondContact O-ND2 2.59Å; M93-L167 HydrophobicContact CE-CB 4.15Å; M93-N168 HydrophobicContact CE-CB 3.45Å; M93-N168 VanDerWaalsContact CE-CB 3.45Å; M93-N168 HydrophobicContact SD-CB 3.76Å; M93-F171 HydrophobicContact CE-CE2 4.28Å; M93-H228 VanDerWaalsContact CG-CE1 3.41Å; M93-H228 WeakPolarHBondContact CG-CE1 3.11Å; M93-H228 WeakPolarHBondContact CG-NE2 3.37Å; M93-H228 VanDerWaalsContact SD-CE1 3.51Å; M93-H228 PolarHBondContact SD-NE2 3.01Å; M93-M306 HydrophobicContact CE-CB 4.08Å; M93-M306 HydrophobicContact CE-CE 4.28Å; M93-M306 HydrophobicContact CE-SD 4.36Å; M93-M306 HydrophobicContact SD-CE 4.05Å |
| 94 | H | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 1.3 Ų | 1.3 | 1% | 0.009 | 1% | 0.006 | C | C | . | . | S | Bend | trans | -94 | 114.6 | 158.8 | -66.7 | 136.5 | 0 | 0 | 0 | 108.5 | N92 N96 E97 R159 D166 H228 | N92-H94 PolarHBondContact ND2-O 2.87Å; H94-N96 PolarHBondContact O-N 2.97Å; H94-N96 VanDerWaalsContact O-N 3.15Å; H94-E97 HydrophobicContact CB-CB 4.12Å; H94-E97 HydrophobicContact CB-CG 3.84Å; H94-E97 WeakPolarHBondContact CB-OE1 3.17Å; H94-E97 IonicContact CG-OE1 3.4Å; H94-E97 IonicContact CG-OE2 2.85Å; H94-E97 IonicContact ND1-OE1 2.71Å; H94-E97 PolarHBondContact ND1-OE1 3.16Å; H94-E97 IonicContact ND1-OE2 2.68Å; H94-E97 PolarHBondContact ND1-OE2 3.39Å; H94-E97 WeakPolarHBondContact O-CB 3.32Å; H94-E97 PolarHBondContact O-N 3.34Å; H94-R159 WeakPolarHBondContact CA-O 3.17Å; H94-R159 HydrophobicContact CB-CG 4.01Å; H94-R159 PolarHBondContact CE1-NH1 3.26Å; H94-R159 VanDerWaalsContact CE1-NH1 3.33Å; H94-R159 PolarHBondContact CE1-NH2 3.47Å; H94-R159 PolarHBondContact ND1-NH1 3.19Å; H94-R159 PolarHBondContact NE2-NH2 2.72Å; H94-D166 IonicContact CD2-OD1 3.05Å; H94-D166 IonicContact CE1-OD1 3.7Å; H94-D166 IonicContact NE2-OD1 2.89Å; H94-D166 PolarHBondContact NE2-OD1 3.14Å; H94-D166 IonicContact NE2-OD2 3.43Å; H94-D166 PolarHBondContact NE2-OD2 2.91Å; H94-H228 AromaticContact CE1-CE1 3.53Å; H94-H228 AromaticContact CE1-ND1 3.94Å; H94-H228 AromaticContact ND1-CE1 3.24Å; H94-H228 PolarHBondContact ND1-CE1 3.05Å; H94-H228 AromaticContact ND1-ND1 3.31Å; H94-H228 PolarHBondContact ND1-ND1 3.42Å |
| 95 | G | 98.6 | Very high | 98.8 | Very high | 0 Ų | 0 | 1 Ų | 1 | 0% | 0 | 1% | 0.005 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -26.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | N92 E97 N138 F142 G158 R159 | N92-G95 VanDerWaalsContact ND2-C 3.31Å; N92-G95 WeakPolarHBondContact ND2-CA 3.15Å; N92-G95 PolarHBondContact ND2-O 3.36Å; G95-E97 VanDerWaalsContact C-N 3.35Å; G95-N138 PolarHBondContact N-ND2 2.87Å; G95-F142 WeakPolarHBondContact O-CA 3.15Å; G95-F142 WeakPolarHBondContact O-CD2 2.88Å; G95-G158 CarbonylContact C-O 3.45Å; G95-G158 WeakPolarHBondContact CA-O 3.48Å; G95-G158 PolarHBondContact N-O 3.41Å; G95-R159 PolarHBondContact N-O 3.43Å |
| 96 | N | 98.4 | Very high | 98.8 | Very high | 2 Ų | 2 | 1.2 Ų | 1.2 | 1% | 0.011 | 1% | 0.006 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -0.4 | 176.4 | 72.3 | -32.8 | 0 | 0 | 0 | 114.9 | H94 A98 A145 W155 V157 G158 R159 K327 | H94-N96 PolarHBondContact O-N 2.97Å; H94-N96 VanDerWaalsContact O-N 3.15Å; N96-A98 PolarHBondContact O-N 3.32Å; N96-A145 HydrophobicContact CB-CB 3.65Å; N96-W155 VanDerWaalsContact ND2-C 3.33Å; N96-W155 PolarHBondContact ND2-O 2.88Å; N96-V157 WeakPolarHBondContact CB-O 3.45Å; N96-G158 PolarHBondContact N-O 2.82Å; N96-R159 VanDerWaalsContact OD1-CA 3.23Å; N96-R159 WeakPolarHBondContact OD1-CA 3.24Å; N96-R159 WeakPolarHBondContact OD1-CB 3.48Å; N96-K327 CarbonylContact O-C 3.43Å; N96-K327 VanDerWaalsContact O-CB 3.31Å; N96-K327 WeakPolarHBondContact O-CB 3.48Å |
| 97 | E | 98.6 | Very high | 98.8 | Very high | 2 Ų | 2 | 1.2 Ų | 1.2 | 1% | 0.009 | 1% | 0.006 | C | C | . | . | trans | -97.4 | 84.2 | 174.4 | -65.8 | 171.9 | -155.3 | 0 | 0 | 107.8 | N92 H94 G95 R159 H228 G229 K327 | N92-E97 PolarHBondContact ND2-O 2.79Å; H94-E97 HydrophobicContact CB-CB 4.12Å; H94-E97 HydrophobicContact CB-CG 3.84Å; H94-E97 WeakPolarHBondContact CB-OE1 3.17Å; H94-E97 IonicContact CG-OE1 3.4Å; H94-E97 IonicContact CG-OE2 2.85Å; H94-E97 IonicContact ND1-OE1 2.71Å; H94-E97 PolarHBondContact ND1-OE1 3.16Å; H94-E97 IonicContact ND1-OE2 2.68Å; H94-E97 PolarHBondContact ND1-OE2 3.39Å; H94-E97 WeakPolarHBondContact O-CB 3.32Å; H94-E97 PolarHBondContact O-N 3.34Å; G95-E97 VanDerWaalsContact C-N 3.35Å; E97-R159 IonicContact OE1-NH1 3.7Å; E97-R159 PolarHBondContact OE1-NH1 3.32Å; E97-H228 WeakPolarHBondContact OE2-CA 3.46Å; E97-H228 WeakPolarHBondContact OE2-CB 3.33Å; E97-H228 IonicContact OE2-CE1 2.74Å; E97-H228 IonicContact OE2-CG 3.06Å; E97-H228 IonicContact OE2-ND1 3.79Å; E97-H228 PolarHBondContact OE2-ND1 2.89Å; E97-G229 VanDerWaalsContact CG-O 3.27Å; E97-G229 WeakPolarHBondContact CG-O 3.03Å; E97-G229 PolarHBondContact OE2-N 2.95Å; E97-G229 VanDerWaalsContact OE2-N 3.1Å; E97-K327 WeakPolarHBondContact CA-O 3.49Å; E97-K327 HydrophobicContact CG-CB 4.08Å; E97-K327 HydrophobicContact CG-CD 3.77Å; E97-K327 HydrophobicContact CG-CG 4.07Å; E97-K327 IonicContact OE1-NZ 2.69Å; E97-K327 PolarHBondContact OE1-NZ 3.27Å | ||
| 98 | A | 98.2 | Very high | 98.8 | Very high | 0 Ų | 0 | 1.2 Ų | 1.2 | 0% | 0 | 1% | 0.006 | C | C | . | . | trans | -94.7 | -19.8 | -159 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y33 N96 G100 R101 E102 F142 K327 F328 | Y33-A98 HydrophobicContact CD1-CB 4.15Å; Y33-A98 HydrophobicContact CE1-CB 3.5Å; N96-A98 PolarHBondContact O-N 3.32Å; A98-G100 PolarHBondContact O-N 2.91Å; A98-R101 WeakPolarHBondContact O-CB 3.49Å; A98-R101 PolarHBondContact O-N 2.92Å; A98-E102 PolarHBondContact O-N 3.43Å; A98-F142 HydrophobicContact CB-CD2 4.44Å; A98-F142 HydrophobicContact CB-CE2 3.91Å; A98-K327 PolarHBondContact N-O 2.68Å; A98-F328 HydrophobicContact CB-CD1 4.42Å; A98-F328 HydrophobicContact CB-CD2 3.56Å; A98-F328 HydrophobicContact CB-CE1 4.48Å; A98-F328 HydrophobicContact CB-CE2 3.63Å; A98-F328 HydrophobicContact CB-CG 3.97Å; A98-F328 HydrophobicContact CB-CZ 4.1Å | ||
| 99 | V | 98.7 | Very high | 98.7 | Very high | 2 Ų | 2 | 2 Ų | 2 | 1% | 0.012 | 1% | 0.01 | C | C | . | . | H | α-helix | trans | -60.4 | -46.5 | -177.2 | 175 | 0 | 0 | 0 | 0 | 111.3 | R101 E102 L103 L323 S324 P329 Y337 | V99-R101 VanDerWaalsContact C-N 3.28Å; V99-R101 PolarHBondContact O-N 2.93Å; V99-E102 PolarHBondContact O-N 3.3Å; V99-L103 HydrophobicContact CG1-CD1 3.71Å; V99-L103 HydrophobicContact CG1-CG 4.09Å; V99-L103 VanDerWaalsContact O-CG 3.29Å; V99-L103 WeakPolarHBondContact O-CG 3.14Å; V99-L103 PolarHBondContact O-N 3.33Å; V99-L323 HydrophobicContact CG1-CB 4.26Å; V99-S324 VanDerWaalsContact CG2-OG 3.31Å; V99-S324 WeakPolarHBondContact CG2-OG 3.42Å; V99-P329 HydrophobicContact CG2-CG 3.51Å; V99-Y337 HydrophobicContact CG1-CD1 4.22Å; V99-Y337 HydrophobicContact CG1-CD2 4.31Å; V99-Y337 HydrophobicContact CG1-CG 3.9Å; V99-Y337 HydrophobicContact CG2-CD2 4.16Å; V99-Y337 HydrophobicContact CG2-CE2 4.26Å |
| 100 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 3.1 Ų | 3.1 | 0% | 0 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -57.9 | -38.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A91 A98 E102 L103 V104 | A91-G100 VanDerWaalsContact CB-C 3.4Å; A91-G100 WeakPolarHBondContact CB-O 3.24Å; A98-G100 PolarHBondContact O-N 2.91Å; G100-E102 PolarHBondContact O-N 3.46Å; G100-L103 PolarHBondContact O-N 2.84Å; G100-V104 WeakPolarHBondContact O-CG2 3.49Å; G100-V104 PolarHBondContact O-N 2.89Å; G100-V104 VanDerWaalsContact O-N 3.08Å |
| 101 | R | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 3.1 Ų | 3.1 | 0% | 0 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -56.1 | -53.3 | 177.9 | 178.5 | -171.1 | 178.7 | 95.5 | -4.2 | 110.9 | H34 L39 N92 A98 V99 V104 I105 P135 S136 F142 | H34-R101 VanDerWaalsContact O-CZ 3.27Å; H34-R101 PolarHBondContact O-NE 2.91Å; H34-R101 PolarHBondContact O-NH2 3.3Å; L39-R101 HydrophobicContact CD1-CG 4.41Å; N92-R101 HydrophobicContact CB-CB 3.81Å; N92-R101 PolarHBondContact OD1-NH1 3.04Å; A98-R101 WeakPolarHBondContact O-CB 3.49Å; A98-R101 PolarHBondContact O-N 2.92Å; V99-R101 VanDerWaalsContact C-N 3.28Å; V99-R101 PolarHBondContact O-N 2.93Å; R101-V104 PolarHBondContact O-N 2.78Å; R101-I105 HydrophobicContact CG-CD1 4.44Å; R101-I105 WeakPolarHBondContact O-CG1 3.11Å; R101-I105 PolarHBondContact O-N 2.9Å; R101-P135 VanDerWaalsContact CA-O 3.28Å; R101-P135 WeakPolarHBondContact CA-O 3.17Å; R101-P135 WeakPolarHBondContact CB-O 3.43Å; R101-P135 HydrophobicContact CG-CB 4.4Å; R101-P135 WeakPolarHBondContact CG-O 3.43Å; R101-S136 PolarHBondContact NH1-OG 3.32Å; R101-F142 VanDerWaalsContact CD-CD2 3.49Å |
| 102 | E | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -69.6 | -39.4 | -176.2 | -57.7 | -50.8 | 149.2 | 0 | 0 | 111.2 | Y33 H34 A98 V99 G100 V104 I105 Y106 L334 | Y33-E102 HydrophobicContact CD1-CG 3.64Å; Y33-E102 HydrophobicContact CE1-CG 3.87Å; H34-E102 IonicContact CE1-OE2 3.92Å; H34-E102 IonicContact CG-OE2 3.32Å; H34-E102 PolarHBondContact N-OE1 2.9Å; H34-E102 IonicContact ND1-OE2 2.83Å; H34-E102 PolarHBondContact ND1-OE2 3.43Å; A98-E102 PolarHBondContact O-N 3.43Å; V99-E102 PolarHBondContact O-N 3.3Å; G100-E102 PolarHBondContact O-N 3.46Å; E102-V104 VanDerWaalsContact C-N 3.29Å; E102-V104 PolarHBondContact O-N 3.03Å; E102-I105 WeakPolarHBondContact O-CB 3.35Å; E102-I105 PolarHBondContact O-N 3.04Å; E102-I105 VanDerWaalsContact O-N 3.11Å; E102-Y106 HydrophobicContact CB-CD2 4.45Å; E102-Y106 HydrophobicContact CB-CE1 4.43Å; E102-Y106 HydrophobicContact CB-CE2 3.7Å; E102-Y106 WeakPolarHBondContact O-CD1 3.33Å; E102-Y106 VanDerWaalsContact O-CD2 3.24Å; E102-Y106 WeakPolarHBondContact O-CD2 3.38Å; E102-Y106 PolarHBondContact O-N 3.22Å; E102-L334 HydrophobicContact CB-CD2 4.27Å; E102-L334 HydrophobicContact CG-CD1 4.39Å; E102-L334 HydrophobicContact CG-CD2 4.2Å |
| 103 | L | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 3.5 Ų | 3.5 | 1% | 0.01 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -59.2 | -37.9 | 176.1 | -70.6 | 177.9 | 0 | 0 | 0 | 113.1 | V99 G100 Y106 L107 L323 W338 N341 L345 | V99-L103 HydrophobicContact CG1-CD1 3.71Å; V99-L103 HydrophobicContact CG1-CG 4.09Å; V99-L103 VanDerWaalsContact O-CG 3.29Å; V99-L103 WeakPolarHBondContact O-CG 3.14Å; V99-L103 PolarHBondContact O-N 3.33Å; G100-L103 PolarHBondContact O-N 2.84Å; L103-Y106 HydrophobicContact CD2-CD2 4.4Å; L103-Y106 PolarHBondContact O-N 3.22Å; L103-L107 VanDerWaalsContact O-CB 3.23Å; L103-L107 WeakPolarHBondContact O-CB 3.29Å; L103-L107 PolarHBondContact O-N 3.16Å; L103-L323 HydrophobicContact CD1-CD1 3.59Å; L103-W338 VanDerWaalsContact CD2-CA 3.47Å; L103-W338 HydrophobicContact CD2-CB 4.07Å; L103-W338 HydrophobicContact CD2-CE3 3.92Å; L103-N341 HydrophobicContact CD1-CB 3.93Å; L103-N341 HydrophobicContact CD2-CB 4.31Å; L103-L345 HydrophobicContact CB-CD1 4.2Å |
| 104 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 4.5 Ų | 4.5 | 0% | 0 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -68.6 | -37 | 176.3 | 175.7 | 0 | 0 | 0 | 0 | 111.5 | A91 G100 R101 E102 A108 L133 P135 L227 | A91-V104 HydrophobicContact CB-CG2 3.85Å; G100-V104 WeakPolarHBondContact O-CG2 3.49Å; G100-V104 PolarHBondContact O-N 2.89Å; G100-V104 VanDerWaalsContact O-N 3.08Å; R101-V104 PolarHBondContact O-N 2.78Å; E102-V104 VanDerWaalsContact C-N 3.29Å; E102-V104 PolarHBondContact O-N 3.03Å; V104-A108 PolarHBondContact O-N 2.69Å; V104-A108 VanDerWaalsContact O-N 3.09Å; V104-L133 HydrophobicContact CG1-CB 3.7Å; V104-L133 HydrophobicContact CG1-CD2 4.41Å; V104-L133 HydrophobicContact CG1-CG 4.46Å; V104-P135 HydrophobicContact CB-CB 4.27Å; V104-P135 HydrophobicContact CB-CG 4.47Å; V104-P135 HydrophobicContact CG1-CB 4.16Å; V104-P135 HydrophobicContact CG1-CG 3.88Å; V104-L227 HydrophobicContact CG2-CD2 3.98Å |
| 105 | I | 98.8 | Very high | 98.6 | Very high | 7 Ų | 7 | 6.8 Ų | 6.8 | 4% | 0.036 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -65.1 | -44.9 | 173.9 | -63 | 168.3 | 0 | 0 | 0 | 110.3 | H34 L39 A42 R101 E102 A108 Q109 P135 | H34-I105 HydrophobicContact CB-CD1 4.04Å; L39-I105 HydrophobicContact CB-CD1 4.3Å; L39-I105 HydrophobicContact CD1-CD1 4.25Å; L39-I105 HydrophobicContact CG-CD1 3.97Å; A42-I105 HydrophobicContact CB-CG2 3.81Å; R101-I105 HydrophobicContact CG-CD1 4.44Å; R101-I105 WeakPolarHBondContact O-CG1 3.11Å; R101-I105 PolarHBondContact O-N 2.9Å; E102-I105 WeakPolarHBondContact O-CB 3.35Å; E102-I105 PolarHBondContact O-N 3.04Å; E102-I105 VanDerWaalsContact O-N 3.11Å; I105-A108 WeakPolarHBondContact O-CB 3.21Å; I105-A108 PolarHBondContact O-N 2.89Å; I105-Q109 PolarHBondContact O-N 2.86Å; I105-Q109 VanDerWaalsContact O-N 3.17Å; I105-P135 HydrophobicContact CD1-CB 4.37Å; I105-P135 HydrophobicContact CG1-CB 3.87Å; I105-P135 HydrophobicContact CG1-CG 4Å |
| 106 | Y | 98.7 | Very high | 98.6 | Very high | 4 Ų | 4 | 12 Ų | 12 | 2% | 0.016 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -66.1 | -38.3 | 178.6 | -55.9 | -23.5 | 0 | 0 | 0 | 112 | I29 S30 F31 E32 E102 L103 Q109 Y110 L334 W338 | I29-Y106 HydrophobicContact CG2-CD1 3.51Å; I29-Y106 HydrophobicContact CG2-CE1 4.06Å; I29-Y106 HydrophobicContact CG2-CG 3.86Å; S30-Y106 WeakPolarHBondContact O-CE1 2.88Å; F31-Y106 WeakPolarHBondContact CA-OH 3.08Å; F31-Y106 HydrophobicContact CD1-CD2 4.08Å; F31-Y106 HydrophobicContact CD1-CE1 4.38Å; F31-Y106 AromaticContact CD1-CE2 3.64Å; F31-Y106 HydrophobicContact CD1-CE2 3.64Å; F31-Y106 AromaticContact CD1-CZ 3.8Å; F31-Y106 HydrophobicContact CE1-CD2 4.05Å; F31-Y106 HydrophobicContact CE1-CE2 4.09Å; F31-Y106 HydrophobicContact CE1-CG 4.44Å; E32-Y106 PolarHBondContact N-OH 3.09Å; E32-Y106 PolarHBondContact O-OH 2.97Å; E102-Y106 HydrophobicContact CB-CD2 4.45Å; E102-Y106 HydrophobicContact CB-CE1 4.43Å; E102-Y106 HydrophobicContact CB-CE2 3.7Å; E102-Y106 WeakPolarHBondContact O-CD1 3.33Å; E102-Y106 VanDerWaalsContact O-CD2 3.24Å; E102-Y106 WeakPolarHBondContact O-CD2 3.38Å; E102-Y106 PolarHBondContact O-N 3.22Å; L103-Y106 HydrophobicContact CD2-CD2 4.4Å; L103-Y106 PolarHBondContact O-N 3.22Å; Y106-Q109 PolarHBondContact O-N 3.2Å; Y106-Y110 VanDerWaalsContact O-CB 3.25Å; Y106-Y110 WeakPolarHBondContact O-CB 3.47Å; Y106-Y110 PolarHBondContact O-N 2.91Å; Y106-L334 HydrophobicContact CE2-CB 4.4Å; Y106-W338 HydrophobicContact CD2-CB 4.1Å; Y106-W338 HydrophobicContact CD2-CD2 4.42Å; Y106-W338 HydrophobicContact CD2-CE3 4.27Å; Y106-W338 HydrophobicContact CD2-CG 4.37Å; Y106-W338 HydrophobicContact CG-CE3 4.44Å |
| 107 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.7 | -46.6 | 174.8 | -179.6 | 63.8 | 0 | 0 | 0 | 111.3 | Y89 L103 Q109 Y110 L111 L133 W338 L345 V346 I349 | Y89-L107 HydrophobicContact CD2-CD2 3.8Å; Y89-L107 HydrophobicContact CE2-CD2 3.82Å; L103-L107 VanDerWaalsContact O-CB 3.23Å; L103-L107 WeakPolarHBondContact O-CB 3.29Å; L103-L107 PolarHBondContact O-N 3.16Å; L107-Q109 VanDerWaalsContact C-N 3.34Å; L107-Q109 PolarHBondContact O-N 3.22Å; L107-Y110 PolarHBondContact O-N 2.9Å; L107-L111 HydrophobicContact CD1-CD1 4.15Å; L107-L111 HydrophobicContact CD1-CD2 4.37Å; L107-L111 HydrophobicContact CD1-CG 4.01Å; L107-L111 HydrophobicContact CG-CD1 4.02Å; L107-L111 HydrophobicContact CG-CG 4.29Å; L107-L111 WeakPolarHBondContact O-CB 3.49Å; L107-L111 VanDerWaalsContact O-CG 3.28Å; L107-L111 WeakPolarHBondContact O-CG 3.48Å; L107-L111 PolarHBondContact O-N 2.83Å; L107-L133 HydrophobicContact CD2-CD2 4.09Å; L107-W338 HydrophobicContact CB-CH2 4.43Å; L107-W338 HydrophobicContact CB-CZ3 4.18Å; L107-W338 HydrophobicContact CD1-CH2 4.47Å; L107-L345 HydrophobicContact CD1-CB 4.2Å; L107-L345 HydrophobicContact CD2-CB 4.21Å; L107-V346 HydrophobicContact CD1-CG2 4.1Å; L107-I349 HydrophobicContact CD2-CD1 4.28Å |
| 108 | A | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.008 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -56.2 | -48.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V46 L71 V104 I105 C112 L133 | V46-A108 HydrophobicContact CG1-CB 4.35Å; V46-A108 HydrophobicContact CG2-CB 4.29Å; L71-A108 HydrophobicContact CD2-CB 3.46Å; L71-A108 VanDerWaalsContact CD2-CB 3.46Å; V104-A108 PolarHBondContact O-N 2.69Å; V104-A108 VanDerWaalsContact O-N 3.09Å; I105-A108 WeakPolarHBondContact O-CB 3.21Å; I105-A108 PolarHBondContact O-N 2.89Å; A108-C112 PolarHBondContact O-N 3.05Å; A108-C112 VanDerWaalsContact O-N 3.15Å; A108-L133 HydrophobicContact CB-CD1 3.86Å |
| 109 | Q | 98.5 | Very high | 98.5 | Very high | 17 Ų | 17 | 21.7 Ų | 21.7 | 8% | 0.079 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.6 | -42.2 | 177.5 | -175.2 | 60.8 | 66.4 | 0 | 0 | 111.9 | I29 V46 I105 Y106 L107 C112 N113 | I29-Q109 HydrophobicContact CG1-CB 4.18Å; I29-Q109 HydrophobicContact CG1-CG 3.7Å; V46-Q109 HydrophobicContact CG2-CB 4.09Å; I105-Q109 PolarHBondContact O-N 2.86Å; I105-Q109 VanDerWaalsContact O-N 3.17Å; Y106-Q109 PolarHBondContact O-N 3.2Å; L107-Q109 VanDerWaalsContact C-N 3.34Å; L107-Q109 PolarHBondContact O-N 3.22Å; Q109-C112 PolarHBondContact O-N 2.69Å; Q109-N113 PolarHBondContact NE2-OD1 3.47Å; Q109-N113 WeakPolarHBondContact O-CB 3.34Å; Q109-N113 PolarHBondContact O-N 2.84Å; Q109-N113 PolarHBondContact O-ND2 2.82Å |
| 110 | Y | 98.6 | Very high | 98.5 | Very high | 23 Ų | 23 | 27.7 Ų | 27.7 | 9% | 0.09 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.3 | -48.8 | 177.7 | 174.5 | -100.1 | 0 | 0 | 0 | 112.1 | Y106 L107 C112 N113 Q114 I122 W338 R342 V346 | Y106-Y110 VanDerWaalsContact O-CB 3.25Å; Y106-Y110 WeakPolarHBondContact O-CB 3.47Å; Y106-Y110 PolarHBondContact O-N 2.91Å; L107-Y110 PolarHBondContact O-N 2.9Å; Y110-C112 VanDerWaalsContact C-N 3.34Å; Y110-C112 PolarHBondContact O-N 2.82Å; Y110-N113 PolarHBondContact O-N 2.74Å; Y110-Q114 HydrophobicContact CD1-CG 4.22Å; Y110-Q114 HydrophobicContact CD2-CG 3.95Å; Y110-Q114 HydrophobicContact CE1-CG 3.81Å; Y110-Q114 HydrophobicContact CE2-CG 3.51Å; Y110-Q114 HydrophobicContact CG-CG 4.28Å; Y110-Q114 VanDerWaalsContact CZ-CG 3.44Å; Y110-Q114 WeakPolarHBondContact O-CB 3.08Å; Y110-Q114 VanDerWaalsContact O-CG 3.32Å; Y110-Q114 WeakPolarHBondContact O-CG 3.23Å; Y110-Q114 PolarHBondContact O-N 3.49Å; Y110-I122 HydrophobicContact CE1-CD1 4.41Å; Y110-W338 HydrophobicContact CD1-CH2 4.27Å; Y110-W338 HydrophobicContact CD1-CZ2 4.39Å; Y110-W338 AromaticContact CD2-CZ2 3.88Å; Y110-W338 HydrophobicContact CD2-CZ2 3.88Å; Y110-W338 AromaticContact CG-CH2 3.9Å; Y110-W338 HydrophobicContact CG-CH2 3.9Å; Y110-W338 AromaticContact CG-CZ2 3.69Å; Y110-W338 HydrophobicContact CG-CZ2 3.69Å; Y110-R342 HydrophobicContact CD1-CG 4.47Å; Y110-R342 HydrophobicContact CE1-CG 4.26Å; Y110-R342 HydrophobicContact CE2-CG 4.41Å; Y110-V346 HydrophobicContact CD1-CG2 4.42Å; Y110-V346 HydrophobicContact CE1-CG2 3.99Å |
| 111 | L | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.2 | -45.4 | 178.5 | -69.7 | 176.6 | 0 | 0 | 0 | 111.1 | M73 L107 Q114 Y115 I122 I126 I131 | M73-L111 HydrophobicContact CE-CB 3.75Å; M73-L111 HydrophobicContact SD-CB 3.87Å; M73-L111 HydrophobicContact SD-CD1 3.83Å; L107-L111 HydrophobicContact CD1-CD1 4.15Å; L107-L111 HydrophobicContact CD1-CD2 4.37Å; L107-L111 HydrophobicContact CD1-CG 4.01Å; L107-L111 HydrophobicContact CG-CD1 4.02Å; L107-L111 HydrophobicContact CG-CG 4.29Å; L107-L111 WeakPolarHBondContact O-CB 3.49Å; L107-L111 VanDerWaalsContact O-CG 3.28Å; L107-L111 WeakPolarHBondContact O-CG 3.48Å; L107-L111 PolarHBondContact O-N 2.83Å; L111-Q114 PolarHBondContact O-N 3.45Å; L111-Y115 VanDerWaalsContact O-CB 3.26Å; L111-Y115 WeakPolarHBondContact O-CB 3.31Å; L111-Y115 PolarHBondContact O-N 2.98Å; L111-I122 HydrophobicContact CB-CG2 4.48Å; L111-I122 HydrophobicContact CD2-CD1 3.84Å; L111-I122 HydrophobicContact CD2-CG2 3.91Å; L111-I122 WeakPolarHBondContact O-CG2 3.18Å; L111-I126 HydrophobicContact CB-CD1 4.39Å; L111-I131 HydrophobicContact CD1-CD1 4.45Å |
| 112 | C | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.1 | -45.2 | 175.5 | 171.4 | 0 | 0 | 0 | 0 | 112.2 | V46 Q49 C50 M73 A108 Q109 Y110 Y115 Q116 | V46-C112 HydrophobicContact CG1-CB 3.91Å; Q49-C112 VanDerWaalsContact CD-SG 3.57Å; Q49-C112 VanDerWaalsContact CG-SG 3.51Å; C50-C112 HydrophobicContact CB-CB 3.91Å; C50-C112 WeakPolarHBondContact CB-SG 3.5Å; C50-C112 WeakPolarHBondContact SG-CA 3.29Å; C50-C112 WeakPolarHBondContact SG-CB 3.36Å; C50-C112 PolarHBondContact SG-O 2.71Å; C50-C112 CovalentContact SG-SG 2.04Å; C50-C112 PolarHBondContact SG-SG 3.2Å; M73-C112 HydrophobicContact CE-CB 4.25Å; A108-C112 PolarHBondContact O-N 3.05Å; A108-C112 VanDerWaalsContact O-N 3.15Å; Q109-C112 PolarHBondContact O-N 2.69Å; Y110-C112 VanDerWaalsContact C-N 3.34Å; Y110-C112 PolarHBondContact O-N 2.82Å; C112-Y115 PolarHBondContact O-N 2.96Å; C112-Q116 WeakPolarHBondContact O-CG 3.35Å; C112-Q116 PolarHBondContact O-N 3.37Å |
| 113 | N | 98.2 | Very high | 98.4 | Very high | 9 Ų | 9 | 33.2 Ų | 33.2 | 5% | 0.048 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.7 | -47.4 | 177.9 | -75.8 | -18.2 | 0 | 0 | 0 | 112.4 | P27 Q49 Q109 Y110 Q116 Q117 | P27-N113 PolarHBondContact O-ND2 2.84Å; Q49-N113 PolarHBondContact NE2-OD1 2.85Å; Q109-N113 PolarHBondContact NE2-OD1 3.47Å; Q109-N113 WeakPolarHBondContact O-CB 3.34Å; Q109-N113 PolarHBondContact O-N 2.84Å; Q109-N113 PolarHBondContact O-ND2 2.82Å; Y110-N113 PolarHBondContact O-N 2.74Å; N113-Q116 PolarHBondContact O-N 2.99Å; N113-Q117 WeakPolarHBondContact O-CB 3.37Å; N113-Q117 WeakPolarHBondContact O-CG 3.26Å; N113-Q117 PolarHBondContact O-N 3.01Å; N113-Q117 PolarHBondContact O-NE2 2.9Å |
| 114 | Q | 98.4 | Very high | 98.3 | Very high | 23 Ų | 23 | 39.3 Ų | 39.3 | 11% | 0.107 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.2 | -38.3 | -179.7 | -69.5 | -60 | -49.6 | 0 | 0 | 111.6 | Y110 L111 Q117 G118 N119 I122 | Y110-Q114 HydrophobicContact CD1-CG 4.22Å; Y110-Q114 HydrophobicContact CD2-CG 3.95Å; Y110-Q114 HydrophobicContact CE1-CG 3.81Å; Y110-Q114 HydrophobicContact CE2-CG 3.51Å; Y110-Q114 HydrophobicContact CG-CG 4.28Å; Y110-Q114 VanDerWaalsContact CZ-CG 3.44Å; Y110-Q114 WeakPolarHBondContact O-CB 3.08Å; Y110-Q114 VanDerWaalsContact O-CG 3.32Å; Y110-Q114 WeakPolarHBondContact O-CG 3.23Å; Y110-Q114 PolarHBondContact O-N 3.49Å; L111-Q114 PolarHBondContact O-N 3.45Å; Q114-Q117 PolarHBondContact O-N 2.98Å; Q114-G118 PolarHBondContact O-N 3.09Å; Q114-N119 HydrophobicContact CB-CB 3.99Å; Q114-N119 WeakPolarHBondContact O-CB 3.23Å; Q114-N119 PolarHBondContact O-N 2.84Å; Q114-N119 PolarHBondContact OE1-ND2 3.03Å; Q114-I122 HydrophobicContact CB-CB 3.94Å; Q114-I122 HydrophobicContact CB-CG1 3.65Å; Q114-I122 HydrophobicContact CB-CG2 3.99Å; Q114-I122 HydrophobicContact CG-CG1 4.2Å |
| 115 | Y | 98.4 | Very high | 98.3 | Very high | 51 Ų | 51 | 39.7 Ų | 39.7 | 20% | 0.2 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.7 | -49.2 | 173.1 | -174 | -90.6 | 0 | 0 | 0 | 111.7 | I53 L111 C112 Q117 G118 I123 I126 H127 | I53-Y115 HydrophobicContact CD1-CD1 3.55Å; I53-Y115 HydrophobicContact CD1-CD2 3.88Å; I53-Y115 HydrophobicContact CD1-CE1 3.94Å; I53-Y115 HydrophobicContact CD1-CE2 4.24Å; I53-Y115 HydrophobicContact CD1-CG 3.52Å; I53-Y115 HydrophobicContact CG1-CD1 4.35Å; I53-Y115 HydrophobicContact CG1-CE1 4.36Å; I53-Y115 HydrophobicContact CG2-CE1 3.85Å; I53-Y115 HydrophobicContact CG2-CE2 4.15Å; L111-Y115 VanDerWaalsContact O-CB 3.26Å; L111-Y115 WeakPolarHBondContact O-CB 3.31Å; L111-Y115 PolarHBondContact O-N 2.98Å; C112-Y115 PolarHBondContact O-N 2.96Å; Y115-Q117 PolarHBondContact O-N 2.84Å; Y115-G118 PolarHBondContact O-N 3.46Å; Y115-G118 VanDerWaalsContact O-N 3.1Å; Y115-I123 HydrophobicContact CD2-CB 4.31Å; Y115-I123 HydrophobicContact CD2-CG1 3.62Å; Y115-I123 HydrophobicContact CE2-CB 4.32Å; Y115-I123 HydrophobicContact CE2-CG1 3.85Å; Y115-I123 HydrophobicContact CE2-CG2 4.26Å; Y115-I123 HydrophobicContact CG-CG1 4.32Å; Y115-I126 HydrophobicContact CD2-CB 4.48Å; Y115-I126 HydrophobicContact CD2-CD1 3.89Å; Y115-I126 HydrophobicContact CE2-CG2 4.43Å; Y115-I126 HydrophobicContact CG-CD1 4.36Å; Y115-H127 AromaticContact CE2-CD2 3.9Å; Y115-H127 AromaticContact CE2-NE2 3.47Å; Y115-H127 WeakPolarHBondContact CE2-NE2 3.28Å; Y115-H127 AromaticContact CZ-NE2 3.71Å; Y115-H127 PolarHBondContact OH-NE2 2.79Å |
| 116 | Q | 97.8 | Very high | 98.3 | Very high | 109 Ų | 109 | 39.4 Ų | 39.4 | 51% | 0.509 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.7 | -28.4 | 177.9 | -72.8 | -170.3 | -29.7 | 0 | 0 | 113.6 | Q49 C112 N113 G118 | Q49-Q116 PolarHBondContact O-NE2 2.99Å; C112-Q116 WeakPolarHBondContact O-CG 3.35Å; C112-Q116 PolarHBondContact O-N 3.37Å; N113-Q116 PolarHBondContact O-N 2.99Å; Q116-G118 PolarHBondContact O-N 2.97Å |
| 117 | Q | 97.8 | Very high | 98.3 | Very high | 118 Ų | 118 | 42.6 Ų | 42.6 | 55% | 0.551 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79 | -5.2 | 177.1 | -72.5 | 170.9 | 46.5 | 0 | 0 | 113.3 | N113 Q114 Y115 | N113-Q117 WeakPolarHBondContact O-CB 3.37Å; N113-Q117 WeakPolarHBondContact O-CG 3.26Å; N113-Q117 PolarHBondContact O-N 3.01Å; N113-Q117 PolarHBondContact O-NE2 2.9Å; Q114-Q117 PolarHBondContact O-N 2.98Å; Y115-Q117 PolarHBondContact O-N 2.84Å |
| 118 | G | 97.9 | Very high | 98.3 | Very high | 42 Ų | 42 | 46.1 Ų | 46.1 | 43% | 0.433 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 29.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q114 Y115 Q116 D120 | Q114-G118 PolarHBondContact O-N 3.09Å; Y115-G118 PolarHBondContact O-N 3.46Å; Y115-G118 VanDerWaalsContact O-N 3.1Å; Q116-G118 PolarHBondContact O-N 2.97Å; G118-D120 PolarHBondContact O-N 3.01Å |
| 119 | N | 98.3 | Very high | 98.3 | Very high | 48 Ų | 48 | 46 Ų | 46 | 26% | 0.257 | 24% | 0.238 | S | C | . | . | trans | -72.2 | 105.5 | 174.5 | -176.6 | -37.1 | 0 | 0 | 0 | 109.8 | Q114 T121 I122 I123 | Q114-N119 HydrophobicContact CB-CB 3.99Å; Q114-N119 WeakPolarHBondContact O-CB 3.23Å; Q114-N119 PolarHBondContact O-N 2.84Å; Q114-N119 PolarHBondContact OE1-ND2 3.03Å; N119-T121 VanDerWaalsContact C-N 3.26Å; N119-T121 PolarHBondContact O-N 3.39Å; N119-T121 WeakPolarHBondContact OD1-CB 3.46Å; N119-T121 PolarHBondContact OD1-N 3.48Å; N119-T121 VanDerWaalsContact OD1-N 3.1Å; N119-I122 HydrophobicContact CB-CB 4.33Å; N119-I122 HydrophobicContact CB-CG1 4.38Å; N119-I122 PolarHBondContact O-N 2.64Å; N119-I122 VanDerWaalsContact O-N 3.1Å; N119-I122 PolarHBondContact OD1-N 3.16Å; N119-I123 WeakPolarHBondContact O-CG1 3.33Å; N119-I123 PolarHBondContact O-N 3.18Å | ||
| 120 | D | 98.1 | Very high | 98.3 | Very high | 128 Ų | 128 | 46.1 Ų | 46.1 | 68% | 0.684 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -54 | -39 | -176.2 | -68.2 | -27.8 | 0 | 0 | 0 | 113.1 | G118 I123 E124 | G118-D120 PolarHBondContact O-N 3.01Å; D120-I123 PolarHBondContact O-N 3.39Å; D120-E124 VanDerWaalsContact O-CB 3.3Å; D120-E124 WeakPolarHBondContact O-CB 3.45Å; D120-E124 PolarHBondContact O-N 2.99Å |
| 121 | T | 96.8 | Very high | 98.3 | Very high | 74 Ų | 74 | 45 Ų | 45 | 45% | 0.454 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.2 | -44.5 | 178.8 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | N119 L125 | N119-T121 VanDerWaalsContact C-N 3.26Å; N119-T121 PolarHBondContact O-N 3.39Å; N119-T121 WeakPolarHBondContact OD1-CB 3.46Å; N119-T121 PolarHBondContact OD1-N 3.48Å; N119-T121 VanDerWaalsContact OD1-N 3.1Å; T121-L125 WeakPolarHBondContact O-CB 3.47Å; T121-L125 PolarHBondContact O-N 3.22Å |
| 122 | I | 98.6 | Very high | 98.3 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.015 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -73.3 | -35.1 | 179.3 | -61.4 | -53.3 | 0 | 0 | 0 | 111.5 | Y110 L111 Q114 N119 L125 I126 V346 | Y110-I122 HydrophobicContact CE1-CD1 4.41Å; L111-I122 HydrophobicContact CB-CG2 4.48Å; L111-I122 HydrophobicContact CD2-CD1 3.84Å; L111-I122 HydrophobicContact CD2-CG2 3.91Å; L111-I122 WeakPolarHBondContact O-CG2 3.18Å; Q114-I122 HydrophobicContact CB-CB 3.94Å; Q114-I122 HydrophobicContact CB-CG1 3.65Å; Q114-I122 HydrophobicContact CB-CG2 3.99Å; Q114-I122 HydrophobicContact CG-CG1 4.2Å; N119-I122 HydrophobicContact CB-CB 4.33Å; N119-I122 HydrophobicContact CB-CG1 4.38Å; N119-I122 PolarHBondContact O-N 2.64Å; N119-I122 VanDerWaalsContact O-N 3.1Å; N119-I122 PolarHBondContact OD1-N 3.16Å; I122-L125 HydrophobicContact CD1-CD2 4.48Å; I122-L125 PolarHBondContact O-N 2.5Å; I122-I126 HydrophobicContact CG2-CD1 3.84Å; I122-I126 HydrophobicContact CG2-CG1 4.45Å; I122-I126 WeakPolarHBondContact O-CG1 3.49Å; I122-I126 PolarHBondContact O-N 2.54Å; I122-V346 HydrophobicContact CD1-CG1 3.93Å |
| 123 | I | 98.7 | Very high | 98.4 | Very high | 39 Ų | 39 | 45.1 Ų | 45.1 | 20% | 0.2 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.3 | -51.1 | 172.9 | -70 | 169.1 | 0 | 0 | 0 | 109.9 | Y115 N119 D120 L125 I126 H127 | Y115-I123 HydrophobicContact CD2-CB 4.31Å; Y115-I123 HydrophobicContact CD2-CG1 3.62Å; Y115-I123 HydrophobicContact CE2-CB 4.32Å; Y115-I123 HydrophobicContact CE2-CG1 3.85Å; Y115-I123 HydrophobicContact CE2-CG2 4.26Å; Y115-I123 HydrophobicContact CG-CG1 4.32Å; N119-I123 WeakPolarHBondContact O-CG1 3.33Å; N119-I123 PolarHBondContact O-N 3.18Å; D120-I123 PolarHBondContact O-N 3.39Å; I123-L125 VanDerWaalsContact C-N 3.29Å; I123-L125 PolarHBondContact O-N 3.41Å; I123-I126 PolarHBondContact O-N 2.96Å; I123-H127 WeakPolarHBondContact O-CB 3.45Å; I123-H127 PolarHBondContact O-CD2 2.96Å; I123-H127 VanDerWaalsContact O-CD2 3.32Å; I123-H127 VanDerWaalsContact O-CG 3.27Å; I123-H127 PolarHBondContact O-N 3.14Å |
| 124 | E | 98.1 | Very high | 98.4 | Very high | 130 Ų | 130 | 44.7 Ų | 44.7 | 61% | 0.607 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -61.1 | -39.5 | 178.4 | -171.4 | 175.5 | -175.4 | 0 | 0 | 111.4 | D120 H127 N128 | D120-E124 VanDerWaalsContact O-CB 3.3Å; D120-E124 WeakPolarHBondContact O-CB 3.45Å; D120-E124 PolarHBondContact O-N 2.99Å; E124-H127 PolarHBondContact O-N 3.27Å; E124-N128 WeakPolarHBondContact CG-ND2 3.4Å; E124-N128 WeakPolarHBondContact O-CB 3.41Å; E124-N128 PolarHBondContact O-N 3.32Å; E124-N128 VanDerWaalsContact O-N 3.12Å; E124-N128 PolarHBondContact O-ND2 3.15Å |
| 125 | L | 98.5 | Very high | 98.4 | Very high | 8 Ų | 8 | 43.6 Ų | 43.6 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.8 | -46.6 | 176.3 | -171.7 | 64.2 | 0 | 0 | 0 | 112 | T121 I122 I123 T129 I131 V346 I349 E350 | T121-L125 WeakPolarHBondContact O-CB 3.47Å; T121-L125 PolarHBondContact O-N 3.22Å; I122-L125 HydrophobicContact CD1-CD2 4.48Å; I122-L125 PolarHBondContact O-N 2.5Å; I123-L125 VanDerWaalsContact C-N 3.29Å; I123-L125 PolarHBondContact O-N 3.41Å; L125-T129 WeakPolarHBondContact O-CB 3.37Å; L125-T129 PolarHBondContact O-N 3.48Å; L125-T129 VanDerWaalsContact O-N 3.1Å; L125-T129 PolarHBondContact O-OG1 3.01Å; L125-I131 HydrophobicContact CD2-CD1 4.49Å; L125-I131 HydrophobicContact CG-CD1 4.25Å; L125-V346 HydrophobicContact CD2-CG1 4.14Å; L125-I349 HydrophobicContact CD1-CB 4.33Å; L125-I349 HydrophobicContact CD1-CG2 3.79Å; L125-I349 HydrophobicContact CD2-CB 4.27Å; L125-I349 HydrophobicContact CD2-CD1 4.41Å; L125-I349 HydrophobicContact CD2-CG2 4.14Å; L125-I349 HydrophobicContact CG-CG2 4.15Å; L125-E350 HydrophobicContact CD1-CG 3.85Å |
| 126 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -72.9 | -33.2 | -179.3 | -69 | 171.6 | 0 | 0 | 0 | 112.1 | I53 M73 S74 D75 L111 Y115 I122 I123 N128 I131 | I53-I126 HydrophobicContact CB-CG2 4.26Å; I53-I126 HydrophobicContact CD1-CD1 3.93Å; I53-I126 HydrophobicContact CD1-CG2 4.31Å; I53-I126 HydrophobicContact CG2-CG2 4.48Å; M73-I126 HydrophobicContact CE-CD1 4.26Å; S74-I126 WeakPolarHBondContact CA-O 3.1Å; D75-I126 PolarHBondContact N-O 3.26Å; L111-I126 HydrophobicContact CB-CD1 4.39Å; Y115-I126 HydrophobicContact CD2-CB 4.48Å; Y115-I126 HydrophobicContact CD2-CD1 3.89Å; Y115-I126 HydrophobicContact CE2-CG2 4.43Å; Y115-I126 HydrophobicContact CG-CD1 4.36Å; I122-I126 HydrophobicContact CG2-CD1 3.84Å; I122-I126 HydrophobicContact CG2-CG1 4.45Å; I122-I126 WeakPolarHBondContact O-CG1 3.49Å; I122-I126 PolarHBondContact O-N 2.54Å; I123-I126 PolarHBondContact O-N 2.96Å; I126-N128 VanDerWaalsContact C-N 3.32Å; I126-I131 HydrophobicContact CG1-CD1 4.41Å |
| 127 | H | 98.5 | Very high | 98.5 | Very high | 71 Ų | 71 | 36.3 Ų | 36.3 | 33% | 0.329 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -79.7 | -13.6 | -179.5 | -72.9 | -160.7 | 0 | 0 | 0 | 113.7 | D75 Y115 I123 E124 | D75-H127 WeakPolarHBondContact OD1-CA 3.44Å; Y115-H127 AromaticContact CE2-CD2 3.9Å; Y115-H127 AromaticContact CE2-NE2 3.47Å; Y115-H127 WeakPolarHBondContact CE2-NE2 3.28Å; Y115-H127 AromaticContact CZ-NE2 3.71Å; Y115-H127 PolarHBondContact OH-NE2 2.79Å; I123-H127 WeakPolarHBondContact O-CB 3.45Å; I123-H127 PolarHBondContact O-CD2 2.96Å; I123-H127 VanDerWaalsContact O-CD2 3.32Å; I123-H127 VanDerWaalsContact O-CG 3.27Å; I123-H127 PolarHBondContact O-N 3.14Å; E124-H127 PolarHBondContact O-N 3.27Å |
| 128 | N | 98.3 | Very high | 98.5 | Very high | 74 Ų | 74 | 30.7 Ų | 30.7 | 40% | 0.396 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -119.8 | 1.2 | -179.8 | -66.2 | -79.7 | 0 | 0 | 0 | 112.4 | P85 E124 I126 H353 | P85-N128 WeakPolarHBondContact CD-O 3.48Å; E124-N128 WeakPolarHBondContact CG-ND2 3.4Å; E124-N128 WeakPolarHBondContact O-CB 3.41Å; E124-N128 PolarHBondContact O-N 3.32Å; E124-N128 VanDerWaalsContact O-N 3.12Å; E124-N128 PolarHBondContact O-ND2 3.15Å; I126-N128 VanDerWaalsContact C-N 3.32Å; N128-H353 PolarHBondContact O-CE1 2.94Å |
| 129 | T | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -141.7 | 131.9 | -176.8 | -34.8 | 0 | 0 | 0 | 0 | 109.5 | E84 F87 L125 I131 I349 H353 | E84-T129 VanDerWaalsContact OE1-C 3.3Å; E84-T129 PolarHBondContact OE1-N 3.47Å; F87-T129 HydrophobicContact CB-CG2 3.93Å; L125-T129 WeakPolarHBondContact O-CB 3.37Å; L125-T129 PolarHBondContact O-N 3.48Å; L125-T129 VanDerWaalsContact O-N 3.1Å; L125-T129 PolarHBondContact O-OG1 3.01Å; T129-I131 HydrophobicContact CG2-CG1 3.95Å; T129-I131 PolarHBondContact O-N 3.37Å; T129-I349 HydrophobicContact CG2-CG2 4.26Å; T129-H353 PolarHBondContact OG1-NE2 3.41Å | ||
| 130 | R | 98.9 | Very high | 98.6 | Very high | 19 Ų | 19 | 26.7 Ų | 26.7 | 7% | 0.072 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 102.6 | 169.6 | -167.6 | 160.2 | 177.1 | -121.1 | -3.4 | 109.9 | E72 G78 T79 E84 P85 E86 F87 | E72-R130 VanDerWaalsContact CD-NH2 3.27Å; E72-R130 HydrophobicContact CG-CG 4.39Å; E72-R130 IonicContact OE1-CZ 3.94Å; E72-R130 VanDerWaalsContact OE1-CZ 3.23Å; E72-R130 IonicContact OE1-NE 3.44Å; E72-R130 PolarHBondContact OE1-NE 3.22Å; E72-R130 IonicContact OE1-NH2 3.4Å; E72-R130 PolarHBondContact OE1-NH2 3.11Å; E72-R130 IonicContact OE2-NH2 2.54Å; E72-R130 PolarHBondContact OE2-NH2 3.5Å; E72-R130 VanDerWaalsContact OE2-NH2 3.14Å; G78-R130 VanDerWaalsContact C-NH2 3.26Å; T79-R130 WeakPolarHBondContact O-CD 3.41Å; T79-R130 PolarHBondContact O-NE 3.04Å; E84-R130 PolarHBondContact OE1-N 3.44Å; P85-R130 PolarHBondContact O-N 3.14Å; P85-R130 VanDerWaalsContact O-N 3.09Å; E86-R130 WeakPolarHBondContact OE1-CD 3.35Å; E86-R130 IonicContact OE1-CZ 3.22Å; E86-R130 IonicContact OE1-NH1 3.31Å; E86-R130 PolarHBondContact OE1-NH1 2.98Å; E86-R130 WeakPolarHBondContact OE2-CB 3.38Å; E86-R130 VanDerWaalsContact OE2-CD 3.32Å; E86-R130 WeakPolarHBondContact OE2-CD 3.36Å; E86-R130 WeakPolarHBondContact OE2-CG 3.22Å; E86-R130 IonicContact OE2-NH1 3.81Å; F87-R130 PolarHBondContact N-O 3.48Å |
| 131 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 127 | -170.1 | -57.1 | 168.6 | 0 | 0 | 0 | 109.1 | E72 M73 F87 L111 L125 I126 T129 L133 I349 | E72-I131 CarbonylContact C-O 3.58Å; E72-I131 VanDerWaalsContact CA-O 3.3Å; E72-I131 WeakPolarHBondContact CA-O 3.25Å; M73-I131 HydrophobicContact CB-CB 4.37Å; M73-I131 PolarHBondContact N-O 3.29Å; M73-I131 PolarHBondContact O-N 3.04Å; F87-I131 HydrophobicContact CD1-CG2 4.09Å; L111-I131 HydrophobicContact CD1-CD1 4.45Å; L125-I131 HydrophobicContact CD2-CD1 4.49Å; L125-I131 HydrophobicContact CG-CD1 4.25Å; I126-I131 HydrophobicContact CG1-CD1 4.41Å; T129-I131 HydrophobicContact CG2-CG1 3.95Å; T129-I131 PolarHBondContact O-N 3.37Å; I131-L133 HydrophobicContact CG2-CD2 3.76Å; I131-L133 HydrophobicContact CG2-CG 4.01Å; I131-I349 HydrophobicContact CD1-CD1 4.47Å; I131-I349 HydrophobicContact CD1-CG2 4Å; I131-I349 HydrophobicContact CG1-CG2 4.04Å |
| 132 | H | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 119.1 | 175.9 | -63.6 | -82.6 | 0 | 0 | 0 | 112.2 | Y57 V70 E72 E86 F87 K88 Y89 W215 F221 | Y57-H132 AromaticContact CE1-ND1 3.57Å; Y57-H132 AromaticContact CZ-ND1 3.66Å; Y57-H132 PolarHBondContact OH-CE1 3.16Å; Y57-H132 PolarHBondContact OH-ND1 3.09Å; V70-H132 HydrophobicContact CG1-CB 3.96Å; E72-H132 IonicContact OE2-CE1 3.55Å; E86-H132 IonicContact OE2-CD2 3.64Å; E86-H132 IonicContact OE2-NE2 3.58Å; E86-H132 PolarHBondContact OE2-NE2 3.32Å; F87-H132 PolarHBondContact O-N 2.9Å; K88-H132 CarbonylContact C-O 3.5Å; K88-H132 WeakPolarHBondContact CA-O 3.28Å; K88-H132 HydrophobicContact CB-CB 4.16Å; Y89-H132 PolarHBondContact N-O 3.34Å; H132-W215 HydrophobicContact CB-CH2 4.3Å; H132-W215 HydrophobicContact CB-CZ2 3.71Å; H132-F221 HydrophobicContact CB-CE1 4.17Å; H132-F221 HydrophobicContact CB-CZ 4.4Å; H132-F221 AromaticContact CD2-CE1 3.5Å; H132-F221 AromaticContact CD2-CZ 3.99Å |
| 133 | L | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 111.3 | -175.2 | -59.7 | -177.5 | 0 | 0 | 0 | 110.1 | V70 L71 M73 Y89 V104 L107 A108 I131 P135 | V70-L133 CarbonylContact C-O 3.24Å; V70-L133 WeakPolarHBondContact CA-O 3.41Å; L71-L133 PolarHBondContact N-O 3.25Å; L71-L133 WeakPolarHBondContact O-CB 3.11Å; L71-L133 PolarHBondContact O-N 3.06Å; M73-L133 HydrophobicContact SD-CD1 4.2Å; Y89-L133 HydrophobicContact CD2-CD2 3.89Å; Y89-L133 HydrophobicContact CG-CD2 4.48Å; V104-L133 HydrophobicContact CG1-CB 3.7Å; V104-L133 HydrophobicContact CG1-CD2 4.41Å; V104-L133 HydrophobicContact CG1-CG 4.46Å; L107-L133 HydrophobicContact CD2-CD2 4.09Å; A108-L133 HydrophobicContact CB-CD1 3.86Å; I131-L133 HydrophobicContact CG2-CD2 3.76Å; I131-L133 HydrophobicContact CG2-CG 4.01Å; L133-P135 WeakPolarHBondContact O-CD 3.49Å |
| 134 | M | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 100.2 | 172.2 | 176.2 | 176 | -74.8 | 0 | 0 | 109.9 | I59 L68 V70 Y89 I90 A91 S136 M137 V212 W215 | I59-M134 HydrophobicContact CD1-CE 3.24Å; I59-M134 HydrophobicContact CG1-CE 3.63Å; L68-M134 HydrophobicContact CB-CE 4.42Å; V70-M134 HydrophobicContact CG2-CB 4.21Å; V70-M134 HydrophobicContact CG2-CE 3.56Å; Y89-M134 PolarHBondContact O-N 3.44Å; I90-M134 HydrophobicContact CG1-CB 4.47Å; I90-M134 HydrophobicContact CG2-CG 4.43Å; I90-M134 HydrophobicContact CG2-SD 3.97Å; A91-M134 PolarHBondContact N-O 3.32Å; M134-S136 VanDerWaalsContact C-N 3.28Å; M134-S136 PolarHBondContact O-N 3.06Å; M134-M137 HydrophobicContact SD-CB 3.97Å; M134-V212 HydrophobicContact SD-CG2 4.42Å; M134-W215 HydrophobicContact CB-CH2 4.49Å; M134-W215 HydrophobicContact CE-CE3 4.38Å; M134-W215 HydrophobicContact CE-CZ3 4.2Å |
| 135 | P | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.006 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -68.9 | -24.3 | -179.4 | -17.6 | 28.2 | 0 | 0 | 0 | 114.2 | L39 L43 A91 R101 V104 I105 L133 | L39-P135 HydrophobicContact CD1-CB 3.94Å; L43-P135 HydrophobicContact CD1-CG 4.29Å; L43-P135 HydrophobicContact CD2-CG 4.1Å; A91-P135 WeakPolarHBondContact CB-O 3.32Å; R101-P135 VanDerWaalsContact CA-O 3.28Å; R101-P135 WeakPolarHBondContact CA-O 3.17Å; R101-P135 WeakPolarHBondContact CB-O 3.43Å; R101-P135 HydrophobicContact CG-CB 4.4Å; R101-P135 WeakPolarHBondContact CG-O 3.43Å; V104-P135 HydrophobicContact CB-CB 4.27Å; V104-P135 HydrophobicContact CB-CG 4.47Å; V104-P135 HydrophobicContact CG1-CB 4.16Å; V104-P135 HydrophobicContact CG1-CG 3.88Å; I105-P135 HydrophobicContact CD1-CB 4.37Å; I105-P135 HydrophobicContact CG1-CB 3.87Å; I105-P135 HydrophobicContact CG1-CG 4Å; L133-P135 WeakPolarHBondContact O-CD 3.49Å |
| 136 | S | 98.9 | Very high | 98.6 | Very high | 6 Ų | 6 | 17 Ų | 17 | 4% | 0.042 | 8% | 0.083 | C | C | . | . | trans | -151 | 110 | -177.6 | -170.7 | 0 | 0 | 0 | 0 | 112.9 | A91 N92 R101 M134 P139 | A91-S136 WeakPolarHBondContact O-CA 3.4Å; N92-S136 PolarHBondContact OD1-OG 3.14Å; R101-S136 PolarHBondContact NH1-OG 3.32Å; M134-S136 VanDerWaalsContact C-N 3.28Å; M134-S136 PolarHBondContact O-N 3.06Å; S136-P139 WeakPolarHBondContact OG-CA 3.4Å | ||
| 137 | M | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -78.1 | -27.7 | 168 | 178.9 | -176.7 | 178.4 | 0 | 0 | 112 | L68 I90 A91 M93 M134 P139 L167 F171 E208 V212 M306 | L68-M137 WeakPolarHBondContact CD2-O 3.41Å; I90-M137 HydrophobicContact CG2-CB 3.92Å; I90-M137 HydrophobicContact CG2-SD 4.38Å; A91-M137 PolarHBondContact O-N 3.24Å; M93-M137 HydrophobicContact CB-CB 4.05Å; M93-M137 HydrophobicContact CB-CG 4.23Å; M93-M137 HydrophobicContact CB-SD 3.61Å; M93-M137 HydrophobicContact CE-SD 4.07Å; M134-M137 HydrophobicContact SD-CB 3.97Å; M137-P139 VanDerWaalsContact C-CD 3.44Å; M137-P139 WeakPolarHBondContact O-CD 3.25Å; M137-L167 HydrophobicContact CE-CB 4.27Å; M137-L167 HydrophobicContact CE-CD1 4.14Å; M137-L167 HydrophobicContact CG-CD1 4.22Å; M137-F171 HydrophobicContact CE-CE2 3.92Å; M137-F171 HydrophobicContact CE-CZ 3.81Å; M137-E208 HydrophobicContact CE-CB 4.46Å; M137-E208 WeakPolarHBondContact O-CG 3.3Å; M137-V212 HydrophobicContact CE-CB 4.07Å; M137-V212 HydrophobicContact CE-CG2 3.72Å; M137-V212 HydrophobicContact CG-CG2 4Å; M137-V212 HydrophobicContact SD-CG2 3.97Å; M137-M306 HydrophobicContact CE-SD 4.39Å; M137-M306 HydrophobicContact SD-CE 4.47Å; M137-M306 HydrophobicContact SD-SD 3.89Å |
| 138 | N | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | trans | -122.3 | 70.1 | 180 | -174.4 | 6.2 | 0 | 0 | 0 | 112.3 | N92 M93 G95 D140 G141 F142 R159 S160 N161 L167 | N92-N138 WeakPolarHBondContact O-CB 3.28Å; N92-N138 PolarHBondContact O-N 3.46Å; M93-N138 WeakPolarHBondContact O-CB 3.49Å; M93-N138 PolarHBondContact O-ND2 2.59Å; G95-N138 PolarHBondContact N-ND2 2.87Å; N138-D140 VanDerWaalsContact C-N 3.25Å; N138-D140 PolarHBondContact O-N 2.92Å; N138-G141 PolarHBondContact O-N 2.94Å; N138-G141 WeakPolarHBondContact OD1-CA 3.18Å; N138-G141 PolarHBondContact OD1-N 2.8Å; N138-F142 PolarHBondContact O-N 3.46Å; N138-F142 VanDerWaalsContact O-N 3.12Å; N138-R159 PolarHBondContact ND2-O 3.45Å; N138-R159 VanDerWaalsContact ND2-O 3.16Å; N138-S160 VanDerWaalsContact ND2-C 3.33Å; N138-S160 PolarHBondContact ND2-O 3.07Å; N138-N161 PolarHBondContact ND2-N 2.93Å; N138-N161 WeakPolarHBondContact OD1-CA 3.38Å; N138-L167 HydrophobicContact CB-CD1 3.79Å | ||
| 139 | P | 98.9 | Very high | 97.7 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.013 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.7 | -28.4 | -178.6 | 28.2 | -36.4 | 0 | 0 | 0 | 112.7 | Y36 R66 L68 S136 M137 F142 E143 | Y36-P139 HydrophobicContact CD2-CB 3.92Å; Y36-P139 HydrophobicContact CE2-CB 4.37Å; R66-P139 HydrophobicContact CB-CB 4.17Å; R66-P139 HydrophobicContact CB-CG 3.81Å; L68-P139 HydrophobicContact CD2-CG 3.92Å; S136-P139 WeakPolarHBondContact OG-CA 3.4Å; M137-P139 VanDerWaalsContact C-CD 3.44Å; M137-P139 WeakPolarHBondContact O-CD 3.25Å; P139-F142 PolarHBondContact O-N 3.45Å; P139-E143 PolarHBondContact O-N 3.25Å; P139-E143 VanDerWaalsContact O-N 3.07Å |
| 140 | D | 98.8 | Very high | 96.8 | Very high | 4 Ų | 4 | 23.2 Ų | 23.2 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.3 | -45.4 | 178.4 | -58.9 | -6.1 | 0 | 0 | 0 | 111.6 | S62 F63 E64 R66 N138 F142 E143 K144 A162 | S62-D140 VanDerWaalsContact CB-OD1 3.28Å; S62-D140 WeakPolarHBondContact CB-OD1 3.44Å; S62-D140 WeakPolarHBondContact CB-OD2 3.22Å; S62-D140 PolarHBondContact OG-OD1 2.75Å; S62-D140 PolarHBondContact OG-OD2 3.47Å; S62-D140 VanDerWaalsContact OG-OD2 3.1Å; F63-D140 PolarHBondContact N-OD2 2.89Å; E64-D140 WeakPolarHBondContact CB-OD2 3.3Å; E64-D140 HydrophobicContact CG-CB 4.46Å; E64-D140 WeakPolarHBondContact CG-OD2 3.23Å; E64-D140 PolarHBondContact N-OD2 3.43Å; R66-D140 IonicContact CZ-OD1 2.84Å; R66-D140 VanDerWaalsContact NH1-CG 3.32Å; R66-D140 IonicContact NH1-OD1 3.53Å; R66-D140 PolarHBondContact NH1-OD1 3.44Å; N138-D140 VanDerWaalsContact C-N 3.25Å; N138-D140 PolarHBondContact O-N 2.92Å; D140-F142 VanDerWaalsContact C-N 3.27Å; D140-F142 PolarHBondContact O-N 3.28Å; D140-E143 PolarHBondContact O-N 3.04Å; D140-K144 PolarHBondContact O-N 3.42Å; D140-A162 HydrophobicContact CB-CB 3.88Å |
| 141 | G | 98.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.1 | -39.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N138 K144 A145 G158 | N138-G141 PolarHBondContact O-N 2.94Å; N138-G141 WeakPolarHBondContact OD1-CA 3.18Å; N138-G141 PolarHBondContact OD1-N 2.8Å; G141-K144 WeakPolarHBondContact O-CB 3.46Å; G141-K144 PolarHBondContact O-N 3.01Å; G141-A145 WeakPolarHBondContact O-CB 3.32Å; G141-A145 PolarHBondContact O-N 3.05Å; G141-G158 CarbonylContact C-O 3.59Å; G141-G158 VanDerWaalsContact CA-O 3.29Å; G141-G158 WeakPolarHBondContact CA-O 3.21Å; G141-G158 WeakPolarHBondContact O-CA 3.38Å |
| 142 | F | 98.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.3 | -49 | 176.7 | -178.4 | -90.1 | 0 | 0 | 0 | 112.4 | Y33 H34 G95 A98 R101 N138 P139 D140 K144 A145 A146 F328 | Y33-F142 HydrophobicContact CD1-CE2 4.44Å; Y33-F142 HydrophobicContact CD1-CZ 4.35Å; H34-F142 WeakPolarHBondContact O-CE1 3.31Å; G95-F142 WeakPolarHBondContact O-CA 3.15Å; G95-F142 WeakPolarHBondContact O-CD2 2.88Å; A98-F142 HydrophobicContact CB-CD2 4.44Å; A98-F142 HydrophobicContact CB-CE2 3.91Å; R101-F142 VanDerWaalsContact CD-CD2 3.49Å; N138-F142 PolarHBondContact O-N 3.46Å; N138-F142 VanDerWaalsContact O-N 3.12Å; P139-F142 PolarHBondContact O-N 3.45Å; D140-F142 VanDerWaalsContact C-N 3.27Å; D140-F142 PolarHBondContact O-N 3.28Å; F142-K144 PolarHBondContact O-N 2.69Å; F142-A145 WeakPolarHBondContact O-CB 3.23Å; F142-A145 PolarHBondContact O-N 3.32Å; F142-A146 HydrophobicContact CD1-CB 4.4Å; F142-A146 HydrophobicContact CE1-CB 4Å; F142-A146 HydrophobicContact CZ-CB 4.32Å; F142-A146 WeakPolarHBondContact O-CB 3.32Å; F142-A146 PolarHBondContact O-N 3.4Å; F142-F328 HydrophobicContact CD2-CE2 4.3Å; F142-F328 AromaticContact CE2-CE2 3.89Å; F142-F328 HydrophobicContact CE2-CE2 3.89Å; F142-F328 HydrophobicContact CE2-CZ 4.08Å; F142-F328 HydrophobicContact CZ-CE2 4.46Å; F142-F328 HydrophobicContact CZ-CZ 4.26Å |
| 143 | E | 98.6 | Very high | 94.2 | Very high | 25 Ų | 25 | 40.2 Ų | 40.2 | 12% | 0.117 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59 | -37.8 | 178.3 | -73.6 | -54.5 | 137.6 | 0 | 0 | 112 | R35 Y36 P139 D140 S147 | R35-E143 WeakPolarHBondContact CA-OE1 3.41Å; R35-E143 WeakPolarHBondContact CB-OE1 3.33Å; R35-E143 IonicContact CZ-OE2 3.73Å; R35-E143 IonicContact NH1-OE2 3.84Å; R35-E143 PolarHBondContact NH1-OE2 3.44Å; Y36-E143 PolarHBondContact N-OE1 3.45Å; P139-E143 PolarHBondContact O-N 3.25Å; P139-E143 VanDerWaalsContact O-N 3.07Å; D140-E143 PolarHBondContact O-N 3.04Å; E143-S147 VanDerWaalsContact O-CB 3.24Å; E143-S147 WeakPolarHBondContact O-CB 3.42Å; E143-S147 PolarHBondContact O-N 2.58Å; E143-S147 VanDerWaalsContact O-N 3.11Å; E143-S147 PolarHBondContact O-OG 3.4Å |
| 144 | K | 97.9 | Very high | 93.8 | Very high | 136 Ų | 136 | 44.1 Ų | 44.1 | 59% | 0.591 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -65.5 | -43.2 | 174.1 | -173.8 | 175.3 | -177.9 | 176.9 | 0 | 111.9 | D140 G141 F142 V157 | D140-K144 PolarHBondContact O-N 3.42Å; G141-K144 WeakPolarHBondContact O-CB 3.46Å; G141-K144 PolarHBondContact O-N 3.01Å; F142-K144 PolarHBondContact O-N 2.69Å; K144-V157 HydrophobicContact CG-CG1 4.06Å |
| 145 | A | 97.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.4 | -47.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | N96 G141 F142 S147 Q148 F328 | N96-A145 HydrophobicContact CB-CB 3.65Å; G141-A145 WeakPolarHBondContact O-CB 3.32Å; G141-A145 PolarHBondContact O-N 3.05Å; F142-A145 WeakPolarHBondContact O-CB 3.23Å; F142-A145 PolarHBondContact O-N 3.32Å; A145-S147 VanDerWaalsContact C-N 3.27Å; A145-S147 PolarHBondContact O-N 2.77Å; A145-Q148 WeakPolarHBondContact O-CB 3.17Å; A145-Q148 VanDerWaalsContact O-CG 3.28Å; A145-Q148 WeakPolarHBondContact O-CG 3.48Å; A145-Q148 PolarHBondContact O-N 2.65Å; A145-Q148 PolarHBondContact O-NE2 3.37Å; A145-F328 HydrophobicContact CB-CD2 4.04Å; A145-F328 HydrophobicContact CB-CE2 3.96Å |
| 146 | A | 96.6 | Very high | 93.1 | Very high | 18 Ų | 18 | 54.2 Ų | 54.2 | 15% | 0.149 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.4 | -24.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R35 F142 Q148 F328 | R35-A146 PolarHBondContact NH2-O 3.1Å; F142-A146 HydrophobicContact CD1-CB 4.4Å; F142-A146 HydrophobicContact CE1-CB 4Å; F142-A146 HydrophobicContact CZ-CB 4.32Å; F142-A146 WeakPolarHBondContact O-CB 3.32Å; F142-A146 PolarHBondContact O-N 3.4Å; A146-Q148 VanDerWaalsContact C-N 3.3Å; A146-Q148 PolarHBondContact O-N 3.5Å; A146-F328 HydrophobicContact CB-CE2 4.32Å; A146-F328 HydrophobicContact CB-CZ 3.97Å |
| 147 | S | 96 | Very high | 93 | Very high | 70 Ų | 70 | 56.3 Ų | 56.3 | 49% | 0.49 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -2.6 | 177.6 | -57.9 | 0 | 0 | 0 | 0 | 114.1 | R35 E143 A145 | R35-S147 PolarHBondContact NH1-OG 2.87Å; R35-S147 PolarHBondContact NH2-OG 2.89Å; E143-S147 VanDerWaalsContact O-CB 3.24Å; E143-S147 WeakPolarHBondContact O-CB 3.42Å; E143-S147 PolarHBondContact O-N 2.58Å; E143-S147 VanDerWaalsContact O-N 3.11Å; E143-S147 PolarHBondContact O-OG 3.4Å; A145-S147 VanDerWaalsContact C-N 3.27Å; A145-S147 PolarHBondContact O-N 2.77Å |
| 148 | Q | 93.5 | Very high | 92.9 | Very high | 26 Ų | 26 | 56.5 Ų | 56.5 | 12% | 0.121 | 30% | 0.303 | C | S | . | . | trans | -64.7 | 136.5 | 174.2 | -68.1 | -178.9 | 74.4 | 0 | 0 | 111.1 | A145 A146 K153 V157 | A145-Q148 WeakPolarHBondContact O-CB 3.17Å; A145-Q148 VanDerWaalsContact O-CG 3.28Å; A145-Q148 WeakPolarHBondContact O-CG 3.48Å; A145-Q148 PolarHBondContact O-N 2.65Å; A145-Q148 PolarHBondContact O-NE2 3.37Å; A146-Q148 VanDerWaalsContact C-N 3.3Å; A146-Q148 PolarHBondContact O-N 3.5Å; Q148-K153 HydrophobicContact CB-CD 3.92Å; Q148-K153 PolarHBondContact O-NZ 2.68Å; Q148-V157 VanDerWaalsContact CD-CB 3.49Å; Q148-V157 VanDerWaalsContact CD-CG1 3.41Å; Q148-V157 HydrophobicContact CG-CB 4.22Å; Q148-V157 HydrophobicContact CG-CG1 3.58Å; Q148-V157 PolarHBondContact NE2-O 3.36Å | ||
| 149 | P | 86.9 | Confident | 92.9 | Very high | 122 Ų | 122 | 58.2 Ų | 58.2 | 79% | 0.792 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -73.2 | 157.3 | 175.5 | 32.3 | -35.2 | 0 | 0 | 0 | 111.4 | ||
| 150 | G | 80.9 | Confident | 92.8 | Very high | 56 Ų | 56 | 60 Ų | 60 | 58% | 0.577 | 32% | 0.323 | S | S | * | . | S | Bend | trans | 84.1 | 164.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | K153 | G150-K153 PolarHBondContact O-NZ 3.29Š|
| 151 | E | 74.9 | Confident | 92.8 | Very high | 164 Ų | 164 | 60.1 Ų | 60.1 | 77% | 0.766 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -77 | -33.1 | -179.6 | -65.6 | 178.1 | -179 | 0 | 0 | 112 | ||
| 152 | I | 80.3 | Confident | 92.7 | Very high | 159 Ų | 159 | 62 Ų | 62 | 82% | 0.815 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -94 | 115.1 | 177.1 | -57.7 | 174.3 | 0 | 0 | 0 | 108.7 | ||
| 153 | K | 85.6 | Confident | 92.7 | Very high | 54 Ų | 54 | 66.4 Ų | 66.4 | 24% | 0.235 | 36% | 0.359 | C | S | . | . | trans | -84.1 | 147.1 | 178.3 | -53.2 | -56.5 | -173.6 | -165.6 | 0 | 111.1 | Q148 G150 F328 | Q148-K153 HydrophobicContact CB-CD 3.92Å; Q148-K153 PolarHBondContact O-NZ 2.68Å; G150-K153 PolarHBondContact O-NZ 3.29Å; K153-F328 HydrophobicContact CB-CB 4.14Å; K153-F328 HydrophobicContact CG-CB 3.9Å; K153-F328 HydrophobicContact CG-CD1 4Å; K153-F328 HydrophobicContact CG-CG 3.97Å | ||
| 154 | D | 92.3 | Very high | 92.6 | Very high | 83 Ų | 83 | 67.8 Ų | 67.8 | 44% | 0.444 | 38% | 0.38 | S | S | . | . | trans | -66.4 | 143.4 | 172.6 | -178.1 | -84.2 | 0 | 0 | 0 | 111.1 | F156 V157 | D154-F156 VanDerWaalsContact C-N 3.27Å; D154-F156 PolarHBondContact O-N 3.38Å; D154-F156 PolarHBondContact OD1-N 3.31Å; D154-V157 HydrophobicContact CB-CB 4.06Å; D154-V157 HydrophobicContact CB-CG2 3.74Å; D154-V157 PolarHBondContact OD1-N 3.34Å; D154-V157 VanDerWaalsContact OD1-N 3.11Å | ||
| 155 | W | 89.1 | Confident | 92.7 | Very high | 70 Ų | 70 | 63.3 Ų | 63.3 | 27% | 0.265 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -68.4 | -20.3 | -173.3 | -168 | -95.4 | 0 | 0 | 0 | 114.7 | N96 C325 K327 | N96-W155 VanDerWaalsContact ND2-C 3.33Å; N96-W155 PolarHBondContact ND2-O 2.88Å; W155-C325 WeakPolarHBondContact CH2-O 3.09Å; W155-K327 HydrophobicContact CD2-CD 4.02Å; W155-K327 HydrophobicContact CD2-CG 4.4Å; W155-K327 HydrophobicContact CE3-CD 4.31Å; W155-K327 HydrophobicContact CE3-CG 4.19Å; W155-K327 HydrophobicContact CH2-CD 4.27Å; W155-K327 HydrophobicContact CH2-CG 3.87Å; W155-K327 HydrophobicContact CZ2-CD 3.97Å; W155-K327 HydrophobicContact CZ2-CG 4.07Å; W155-K327 HydrophobicContact CZ3-CD 4.43Å; W155-K327 HydrophobicContact CZ3-CG 3.93Å |
| 156 | F | 93.2 | Very high | 92.7 | Very high | 143 Ų | 143 | 64.9 Ų | 64.9 | 63% | 0.627 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -118.7 | -22.9 | -175.1 | -64.1 | -74.5 | 0 | 0 | 0 | 113.7 | D154 G158 R159 | D154-F156 VanDerWaalsContact C-N 3.27Å; D154-F156 PolarHBondContact O-N 3.38Å; D154-F156 PolarHBondContact OD1-N 3.31Å; F156-G158 PolarHBondContact O-N 2.91Å; F156-G158 VanDerWaalsContact O-N 3.11Å; F156-R159 WeakPolarHBondContact O-CB 3.27Å; F156-R159 PolarHBondContact O-N 3.46Å |
| 157 | V | 96.1 | Very high | 92.8 | Very high | 49 Ų | 49 | 64 Ų | 64 | 30% | 0.297 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 116.6 | 179.9 | 174.5 | 0 | 0 | 0 | 0 | 110.6 | N96 K144 Q148 D154 | N96-V157 WeakPolarHBondContact CB-O 3.45Å; K144-V157 HydrophobicContact CG-CG1 4.06Å; Q148-V157 VanDerWaalsContact CD-CB 3.49Å; Q148-V157 VanDerWaalsContact CD-CG1 3.41Å; Q148-V157 HydrophobicContact CG-CB 4.22Å; Q148-V157 HydrophobicContact CG-CG1 3.58Å; Q148-V157 PolarHBondContact NE2-O 3.36Å; D154-V157 HydrophobicContact CB-CB 4.06Å; D154-V157 HydrophobicContact CB-CG2 3.74Å; D154-V157 PolarHBondContact OD1-N 3.34Å; D154-V157 VanDerWaalsContact OD1-N 3.11Å |
| 158 | G | 97.1 | Very high | 92.9 | Very high | 4 Ų | 4 | 61.2 Ų | 61.2 | 4% | 0.041 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | 2.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | G95 N96 G141 F156 | G95-G158 CarbonylContact C-O 3.45Å; G95-G158 WeakPolarHBondContact CA-O 3.48Å; G95-G158 PolarHBondContact N-O 3.41Å; N96-G158 PolarHBondContact N-O 2.82Å; G141-G158 CarbonylContact C-O 3.59Å; G141-G158 VanDerWaalsContact CA-O 3.29Å; G141-G158 WeakPolarHBondContact CA-O 3.21Å; G141-G158 WeakPolarHBondContact O-CA 3.38Å; F156-G158 PolarHBondContact O-N 2.91Å; F156-G158 VanDerWaalsContact O-N 3.11Å |
| 159 | R | 98.4 | Very high | 93.1 | Very high | 37 Ų | 37 | 64.1 Ų | 64.1 | 14% | 0.14 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -58 | 173.7 | -179 | -177.2 | 170.4 | 87 | -7.1 | 112 | H94 G95 N96 E97 N138 F156 D166 | H94-R159 WeakPolarHBondContact CA-O 3.17Å; H94-R159 HydrophobicContact CB-CG 4.01Å; H94-R159 PolarHBondContact CE1-NH1 3.26Å; H94-R159 VanDerWaalsContact CE1-NH1 3.33Å; H94-R159 PolarHBondContact CE1-NH2 3.47Å; H94-R159 PolarHBondContact ND1-NH1 3.19Å; H94-R159 PolarHBondContact NE2-NH2 2.72Å; G95-R159 PolarHBondContact N-O 3.43Å; N96-R159 VanDerWaalsContact OD1-CA 3.23Å; N96-R159 WeakPolarHBondContact OD1-CA 3.24Å; N96-R159 WeakPolarHBondContact OD1-CB 3.48Å; E97-R159 IonicContact OE1-NH1 3.7Å; E97-R159 PolarHBondContact OE1-NH1 3.32Å; N138-R159 PolarHBondContact ND2-O 3.45Å; N138-R159 VanDerWaalsContact ND2-O 3.16Å; F156-R159 WeakPolarHBondContact O-CB 3.27Å; F156-R159 PolarHBondContact O-N 3.46Å; R159-D166 IonicContact CZ-OD2 3.79Å; R159-D166 IonicContact NE-OD2 2.72Å; R159-D166 PolarHBondContact NE-OD2 3.1Å; R159-D166 IonicContact NH2-OD2 3.43Å; R159-D166 PolarHBondContact NH2-OD2 3.04Å |
| 160 | S | 98.3 | Very high | 93.7 | Very high | 40 Ų | 40 | 59.2 Ų | 59.2 | 28% | 0.28 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -71 | 163.8 | 178.4 | -56.9 | 0 | 0 | 0 | 0 | 111.9 | N138 V165 | N138-S160 VanDerWaalsContact ND2-C 3.33Å; N138-S160 PolarHBondContact ND2-O 3.07Å; S160-V165 CarbonylContact C-O 3.55Å; S160-V165 VanDerWaalsContact CA-O 3.29Å; S160-V165 WeakPolarHBondContact CA-O 3.23Å; S160-V165 VanDerWaalsContact CB-O 3.28Å; S160-V165 WeakPolarHBondContact CB-O 3.19Å |
| 161 | N | 98.3 | Very high | 94.5 | Very high | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.027 | 30% | 0.296 | C | S | . | . | trans | -68 | -179.7 | 169.9 | 82.5 | -16.2 | 0 | 0 | 0 | 111.6 | N138 Q163 G164 V165 L167 A206 E208 | N138-N161 PolarHBondContact ND2-N 2.93Å; N138-N161 WeakPolarHBondContact OD1-CA 3.38Å; N161-Q163 PolarHBondContact ND2-OE1 3.4Å; N161-Q163 PolarHBondContact O-N 2.61Å; N161-Q163 VanDerWaalsContact O-N 3.13Å; N161-Q163 WeakPolarHBondContact OD1-CA 3.38Å; N161-Q163 WeakPolarHBondContact OD1-CB 3.47Å; N161-Q163 PolarHBondContact OD1-N 3.21Å; N161-G164 PolarHBondContact O-N 2.85Å; N161-G164 PolarHBondContact OD1-N 2.74Å; N161-V165 PolarHBondContact N-O 2.86Å; N161-V165 WeakPolarHBondContact OD1-CB 3.49Å; N161-V165 PolarHBondContact OD1-N 3.01Å; N161-V165 PolarHBondContact OD1-O 3.34Å; N161-L167 HydrophobicContact CB-CD1 4.41Å; N161-L167 HydrophobicContact CB-CD2 4.01Å; N161-L167 HydrophobicContact CB-CG 4.22Å; N161-A206 WeakPolarHBondContact ND2-CB 3.28Å; N161-E208 PolarHBondContact ND2-OE2 3.16Å | ||
| 162 | A | 97.6 | Very high | 95.5 | Very high | 40 Ų | 40 | 50.6 Ų | 50.6 | 33% | 0.331 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -22.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | F63 E64 D140 G164 | F63-A162 HydrophobicContact CB-CB 4.17Å; F63-A162 HydrophobicContact CD1-CB 3.78Å; F63-A162 HydrophobicContact CG-CB 4.4Å; E64-A162 HydrophobicContact CG-CB 3.68Å; D140-A162 HydrophobicContact CB-CB 3.88Å; A162-G164 VanDerWaalsContact C-N 3.31Å |
| 163 | Q | 97.4 | Very high | 96.2 | Very high | 93 Ų | 93 | 45.7 Ų | 45.7 | 44% | 0.435 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -1.9 | 176 | -56.7 | 179.5 | -80.8 | 0 | 0 | 113.3 | F63 N161 V165 P207 | F63-Q163 HydrophobicContact CB-CG 4.04Å; F63-Q163 HydrophobicContact CD1-CG 3.7Å; F63-Q163 HydrophobicContact CD2-CG 3.33Å; F63-Q163 HydrophobicContact CE1-CG 3.92Å; F63-Q163 VanDerWaalsContact CE2-CD 3.46Å; F63-Q163 HydrophobicContact CE2-CG 3.58Å; F63-Q163 VanDerWaalsContact CE2-NE2 3.25Å; F63-Q163 HydrophobicContact CG-CG 3.38Å; F63-Q163 HydrophobicContact CZ-CG 3.86Å; N161-Q163 PolarHBondContact ND2-OE1 3.4Å; N161-Q163 PolarHBondContact O-N 2.61Å; N161-Q163 VanDerWaalsContact O-N 3.13Å; N161-Q163 WeakPolarHBondContact OD1-CA 3.38Å; N161-Q163 WeakPolarHBondContact OD1-CB 3.47Å; N161-Q163 PolarHBondContact OD1-N 3.21Å; Q163-V165 VanDerWaalsContact C-N 3.32Å; Q163-V165 HydrophobicContact CB-CG2 4.14Å; Q163-P207 VanDerWaalsContact OE1-CD 3.3Å |
| 164 | G | 97.4 | Very high | 96.7 | Very high | 55 Ų | 55 | 43.2 Ų | 43.2 | 57% | 0.567 | 23% | 0.234 | S | C | * | . | S | Bend | trans | 78 | 15.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N161 A162 | N161-G164 PolarHBondContact O-N 2.85Å; N161-G164 PolarHBondContact OD1-N 2.74Å; A162-G164 VanDerWaalsContact C-N 3.31Å |
| 165 | V | 98.3 | Very high | 96.9 | Very high | 41 Ų | 41 | 39.4 Ų | 39.4 | 25% | 0.248 | 21% | 0.214 | C | C | . | . | trans | -86 | 130.2 | 176.3 | 179.6 | 0 | 0 | 0 | 0 | 109.6 | S160 N161 Q163 L167 N170 A206 | S160-V165 CarbonylContact C-O 3.55Å; S160-V165 VanDerWaalsContact CA-O 3.29Å; S160-V165 WeakPolarHBondContact CA-O 3.23Å; S160-V165 VanDerWaalsContact CB-O 3.28Å; S160-V165 WeakPolarHBondContact CB-O 3.19Å; N161-V165 PolarHBondContact N-O 2.86Å; N161-V165 WeakPolarHBondContact OD1-CB 3.49Å; N161-V165 PolarHBondContact OD1-N 3.01Å; N161-V165 PolarHBondContact OD1-O 3.34Å; Q163-V165 VanDerWaalsContact C-N 3.32Å; Q163-V165 HydrophobicContact CB-CG2 4.14Å; V165-L167 PolarHBondContact O-N 2.52Å; V165-N170 HydrophobicContact CG1-CB 3.82Å; V165-A206 HydrophobicContact CG1-CB 4.39Å | ||
| 166 | D | 98.5 | Very high | 97.2 | Very high | 33 Ų | 33 | 39.3 Ų | 39.3 | 18% | 0.176 | 21% | 0.213 | C | C | . | . | trans | -76.2 | 108.7 | 165.6 | -171.4 | -36 | 0 | 0 | 0 | 108.2 | H94 R159 N168 R169 N170 | H94-D166 IonicContact CD2-OD1 3.05Å; H94-D166 IonicContact CE1-OD1 3.7Å; H94-D166 IonicContact NE2-OD1 2.89Å; H94-D166 PolarHBondContact NE2-OD1 3.14Å; H94-D166 IonicContact NE2-OD2 3.43Å; H94-D166 PolarHBondContact NE2-OD2 2.91Å; R159-D166 IonicContact CZ-OD2 3.79Å; R159-D166 IonicContact NE-OD2 2.72Å; R159-D166 PolarHBondContact NE-OD2 3.1Å; R159-D166 IonicContact NH2-OD2 3.43Å; R159-D166 PolarHBondContact NH2-OD2 3.04Å; D166-N168 PolarHBondContact O-N 2.84Å; D166-N168 PolarHBondContact OD1-N 3.1Å; D166-R169 HydrophobicContact CB-CB 4.34Å; D166-R169 HydrophobicContact CB-CG 4.26Å; D166-R169 PolarHBondContact O-N 3.02Å; D166-N170 PolarHBondContact O-N 3.07Å | ||
| 167 | L | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -62.2 | -27.1 | -176.1 | -61.7 | -177.8 | 0 | 0 | 0 | 112.4 | M93 M137 N138 N161 V165 R169 N170 F171 A206 E208 | M93-L167 HydrophobicContact CE-CB 4.15Å; M137-L167 HydrophobicContact CE-CB 4.27Å; M137-L167 HydrophobicContact CE-CD1 4.14Å; M137-L167 HydrophobicContact CG-CD1 4.22Å; N138-L167 HydrophobicContact CB-CD1 3.79Å; N161-L167 HydrophobicContact CB-CD1 4.41Å; N161-L167 HydrophobicContact CB-CD2 4.01Å; N161-L167 HydrophobicContact CB-CG 4.22Å; V165-L167 PolarHBondContact O-N 2.52Å; L167-R169 PolarHBondContact O-N 2.68Å; L167-N170 PolarHBondContact O-N 2.85Å; L167-F171 WeakPolarHBondContact O-CD2 3.37Å; L167-F171 WeakPolarHBondContact O-CE2 3.38Å; L167-A206 HydrophobicContact CD2-CB 3.6Å; L167-E208 HydrophobicContact CD1-CB 3.79Å; L167-E208 HydrophobicContact CD1-CG 4.18Å; L167-E208 HydrophobicContact CD2-CB 4.14Å |
| 168 | N | 98.6 | Very high | 97.4 | Very high | 11 Ų | 11 | 33.2 Ų | 33.2 | 6% | 0.059 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -86.5 | 15.2 | 177 | -156.2 | 22.6 | 0 | 0 | 0 | 112.8 | M93 D166 G304 G305 M306 | M93-N168 HydrophobicContact CE-CB 3.45Å; M93-N168 VanDerWaalsContact CE-CB 3.45Å; M93-N168 HydrophobicContact SD-CB 3.76Å; D166-N168 PolarHBondContact O-N 2.84Å; D166-N168 PolarHBondContact OD1-N 3.1Å; N168-G304 CarbonylContact C-O 3.6Å; N168-G305 VanDerWaalsContact OD1-CA 3.23Å; N168-G305 WeakPolarHBondContact OD1-CA 3.31Å; N168-M306 PolarHBondContact OD1-N 3.29Å |
| 169 | R | 98.1 | Very high | 97.3 | Very high | 87 Ų | 87 | 33.4 Ų | 33.4 | 33% | 0.328 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -129.8 | 13.5 | 166.9 | -60.3 | -64.2 | -178 | -78 | 0.2 | 111.1 | D166 L167 P303 G304 | D166-R169 HydrophobicContact CB-CB 4.34Å; D166-R169 HydrophobicContact CB-CG 4.26Å; D166-R169 PolarHBondContact O-N 3.02Å; L167-R169 PolarHBondContact O-N 2.68Å; R169-P303 WeakPolarHBondContact CD-O 3.48Å; R169-G304 CarbonylContact C-O 3.59Å; R169-G304 VanDerWaalsContact C-O 3.29Å; R169-G304 VanDerWaalsContact CA-O 3.31Å; R169-G304 WeakPolarHBondContact CA-O 3.44Å |
| 170 | N | 98.3 | Very high | 97.2 | Very high | 20 Ų | 20 | 35 Ų | 35 | 11% | 0.107 | 20% | 0.195 | C | C | . | . | trans | -111.1 | -8.5 | -170.5 | -164.5 | -128.4 | 0 | 0 | 0 | 113.2 | V165 D166 L167 K204 L205 A206 T209 G304 | V165-N170 HydrophobicContact CG1-CB 3.82Å; D166-N170 PolarHBondContact O-N 3.07Å; L167-N170 PolarHBondContact O-N 2.85Å; N170-K204 PolarHBondContact ND2-O 3.04Å; N170-L205 WeakPolarHBondContact O-CD2 3.29Å; N170-L205 WeakPolarHBondContact OD1-CA 3.29Å; N170-A206 WeakPolarHBondContact OD1-CB 3.5Å; N170-A206 PolarHBondContact OD1-N 3.49Å; N170-T209 HydrophobicContact CB-CG2 4.41Å; N170-T209 WeakPolarHBondContact OD1-CB 3.23Å; N170-T209 PolarHBondContact OD1-OG1 3Å; N170-G304 PolarHBondContact N-O 3.33Å | ||
| 171 | F | 97.9 | Very high | 97.1 | Very high | 8 Ų | 8 | 34.8 Ų | 34.8 | 4% | 0.035 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -73.2 | 151.6 | 174.1 | -73.3 | -100.6 | 0 | 0 | 0 | 110.7 | M93 M137 L167 D173 T209 V212 I213 G304 M306 F309 | M93-F171 HydrophobicContact CE-CE2 4.28Å; M137-F171 HydrophobicContact CE-CE2 3.92Å; M137-F171 HydrophobicContact CE-CZ 3.81Å; L167-F171 WeakPolarHBondContact O-CD2 3.37Å; L167-F171 WeakPolarHBondContact O-CE2 3.38Å; F171-D173 PolarHBondContact O-N 3.36Å; F171-T209 HydrophobicContact CD1-CG2 4.11Å; F171-T209 HydrophobicContact CD2-CG2 4Å; F171-T209 HydrophobicContact CE1-CG2 4.11Å; F171-T209 HydrophobicContact CE2-CG2 3.98Å; F171-T209 HydrophobicContact CG-CG2 4.06Å; F171-T209 HydrophobicContact CZ-CG2 4.04Å; F171-V212 HydrophobicContact CE1-CG1 4.16Å; F171-V212 HydrophobicContact CZ-CB 4.29Å; F171-V212 HydrophobicContact CZ-CG1 3.95Å; F171-I213 HydrophobicContact CD1-CD1 4.03Å; F171-I213 HydrophobicContact CD1-CG1 3.73Å; F171-I213 HydrophobicContact CE1-CD1 4.32Å; F171-I213 HydrophobicContact CE1-CG1 3.64Å; F171-G304 PolarHBondContact N-O 2.97Å; F171-G304 WeakPolarHBondContact O-CA 3.47Å; F171-M306 HydrophobicContact CD1-CG 4.46Å; F171-M306 HydrophobicContact CD2-CB 3.83Å; F171-M306 HydrophobicContact CD2-CG 4.37Å; F171-M306 HydrophobicContact CE1-CB 4.31Å; F171-M306 HydrophobicContact CE1-CG 3.82Å; F171-M306 HydrophobicContact CE1-SD 4.35Å; F171-M306 HydrophobicContact CE2-CB 3.51Å; F171-M306 HydrophobicContact CE2-CG 3.74Å; F171-M306 HydrophobicContact CE2-SD 3.98Å; F171-M306 HydrophobicContact CG-CB 4.37Å; F171-M306 HydrophobicContact CZ-CB 3.77Å; F171-M306 HydrophobicContact CZ-CG 3.42Å; F171-M306 VanDerWaalsContact CZ-CG 3.42Å; F171-M306 HydrophobicContact CZ-SD 3.53Å; F171-M306 VanDerWaalsContact CZ-SD 3.53Å; F171-F309 HydrophobicContact CB-CB 3.98Å; F171-F309 HydrophobicContact CB-CD2 4.27Å; F171-F309 HydrophobicContact CB-CG 4.14Å; F171-F309 HydrophobicContact CD1-CB 3.97Å; F171-F309 AromaticContact CD1-CD1 3.55Å; F171-F309 HydrophobicContact CD1-CD1 3.55Å; F171-F309 HydrophobicContact CD1-CD2 4.18Å; F171-F309 HydrophobicContact CD1-CE1 4.08Å; F171-F309 AromaticContact CD1-CG 3.61Å; F171-F309 HydrophobicContact CD1-CG 3.61Å; F171-F309 HydrophobicContact CE1-CD1 4.01Å; F171-F309 HydrophobicContact CE1-CE1 4.39Å; F171-F309 HydrophobicContact CE1-CG 4.48Å; F171-F309 HydrophobicContact CG-CB 4.23Å; F171-F309 HydrophobicContact CG-CG 4.26Å |
| 172 | P | 95.9 | Very high | 96.9 | Very high | 31 Ų | 31 | 37.4 Ų | 37.4 | 20% | 0.201 | 20% | 0.203 | C | C | . | . | trans | -53.4 | 124.9 | 168.8 | -25 | 34.5 | 0 | 0 | 0 | 110.6 | L174 L192 I213 F309 | P172-L174 HydrophobicContact CB-CD2 4.26Å; P172-L174 PolarHBondContact O-N 2.94Å; P172-L192 HydrophobicContact CB-CD1 4.1Å; P172-L192 HydrophobicContact CG-CD1 4.43Å; P172-I213 HydrophobicContact CG-CD1 4.36Å; P172-F309 HydrophobicContact CB-CD2 4.37Å; P172-F309 HydrophobicContact CB-CE2 4.26Å; P172-F309 HydrophobicContact CG-CD2 4.36Å; P172-F309 HydrophobicContact CG-CE2 3.95Å | ||
| 173 | D | 94.8 | Very high | 96.7 | Very high | 56 Ų | 56 | 44.4 Ų | 44.4 | 30% | 0.299 | 22% | 0.221 | S | C | . | . | trans | -76.4 | 102.9 | 177.6 | -176.4 | -10.6 | 0 | 0 | 0 | 109.5 | F171 D175 P303 | F171-D173 PolarHBondContact O-N 3.36Å; D173-D175 PolarHBondContact OD1-N 3.13Å; D173-P303 WeakPolarHBondContact OD2-CB 3.38Å | ||
| 174 | L | 96.6 | Very high | 96.7 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | trans | -97.5 | -14.4 | -177.3 | -59.6 | -173.2 | 0 | 0 | 0 | 112.6 | P172 R176 I177 V178 L191 L192 F309 L312 | P172-L174 HydrophobicContact CB-CD2 4.26Å; P172-L174 PolarHBondContact O-N 2.94Å; L174-R176 VanDerWaalsContact C-N 3.34Å; L174-R176 PolarHBondContact O-N 2.94Å; L174-I177 HydrophobicContact CD2-CD1 3.95Å; L174-I177 WeakPolarHBondContact O-CA 3.47Å; L174-I177 WeakPolarHBondContact O-CB 3.48Å; L174-I177 PolarHBondContact O-N 2.91Å; L174-V178 PolarHBondContact O-N 3.27Å; L174-L191 HydrophobicContact CB-CD1 4.31Å; L174-L192 HydrophobicContact CD1-CG 4.45Å; L174-L192 HydrophobicContact CD2-CD1 3.68Å; L174-L192 HydrophobicContact CD2-CD2 3.86Å; L174-L192 HydrophobicContact CD2-CG 3.56Å; L174-F309 HydrophobicContact CD1-CD2 3.97Å; L174-F309 HydrophobicContact CD1-CE2 4.22Å; L174-F309 HydrophobicContact CG-CD2 4.36Å; L174-L312 HydrophobicContact CB-CB 3.68Å; L174-L312 HydrophobicContact CB-CD1 3.63Å; L174-L312 HydrophobicContact CB-CG 4.31Å; L174-L312 HydrophobicContact CD1-CB 3.8Å; L174-L312 HydrophobicContact CG-CB 4.37Å | ||
| 175 | D | 97.2 | Very high | 96.5 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57 | -47.5 | 178.3 | -70.5 | -93.9 | 0 | 0 | 0 | 111.3 | D173 I177 V178 Y179 Y238 E240 D308 | D173-D175 PolarHBondContact OD1-N 3.13Å; D175-I177 PolarHBondContact O-N 3.24Å; D175-V178 WeakPolarHBondContact O-CG1 3.49Å; D175-V178 PolarHBondContact O-N 3.01Å; D175-V178 VanDerWaalsContact O-N 3.14Å; D175-Y179 HydrophobicContact CB-CE1 4.33Å; D175-Y179 HydrophobicContact CB-CE2 3.94Å; D175-Y179 WeakPolarHBondContact O-CB 3.44Å; D175-Y179 VanDerWaalsContact O-CD1 3.28Å; D175-Y179 WeakPolarHBondContact O-CD1 3.29Å; D175-Y179 WeakPolarHBondContact O-CD2 3.26Å; D175-Y179 PolarHBondContact O-N 3.5Å; D175-Y179 PolarHBondContact OD1-OH 3.5Å; D175-Y238 WeakPolarHBondContact OD1-CD1 3.4Å; D175-E240 HydrophobicContact CB-CB 3.84Å; D175-E240 WeakPolarHBondContact CB-OE2 3.5Å; D175-D308 WeakPolarHBondContact OD2-CB 3.48Å |
| 176 | R | 94 | Very high | 96.3 | Very high | 67 Ų | 67 | 48.4 Ų | 48.4 | 25% | 0.253 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.2 | -32.6 | 176 | -62.6 | -64.5 | 165.9 | -159.5 | -11.6 | 113.2 | L174 I180 E240 T241 R242 | L174-R176 VanDerWaalsContact C-N 3.34Å; L174-R176 PolarHBondContact O-N 2.94Å; R176-I180 WeakPolarHBondContact O-CD1 3.43Å; R176-I180 WeakPolarHBondContact O-CG1 3.29Å; R176-I180 PolarHBondContact O-N 2.96Å; R176-E240 WeakPolarHBondContact CG-OE2 3.39Å; R176-E240 VanDerWaalsContact CZ-CD 3.48Å; R176-E240 IonicContact CZ-OE1 3.06Å; R176-E240 IonicContact CZ-OE2 3.14Å; R176-E240 IonicContact NE-OE1 3.65Å; R176-E240 PolarHBondContact NE-OE1 2.88Å; R176-E240 IonicContact NE-OE2 2.87Å; R176-E240 PolarHBondContact NE-OE2 3.09Å; R176-E240 IonicContact NH2-OE1 3.61Å; R176-E240 PolarHBondContact NH2-OE1 2.87Å; R176-E240 IonicContact NH2-OE2 3.87Å; R176-E240 PolarHBondContact NH2-OE2 3.32Å; R176-T241 PolarHBondContact NH1-O 3.05Å; R176-T241 PolarHBondContact NH2-O 2.7Å; R176-R242 PolarHBondContact NH1-O 3.38Å |
| 177 | I | 95.6 | Very high | 96.1 | Very high | 62 Ų | 62 | 49.4 Ų | 49.4 | 32% | 0.318 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -72.7 | -49.4 | 176.2 | -57.7 | 175.3 | 0 | 0 | 0 | 109.6 | L174 D175 Y179 I180 N181 L191 L192 | L174-I177 HydrophobicContact CD2-CD1 3.95Å; L174-I177 WeakPolarHBondContact O-CA 3.47Å; L174-I177 WeakPolarHBondContact O-CB 3.48Å; L174-I177 PolarHBondContact O-N 2.91Å; D175-I177 PolarHBondContact O-N 3.24Å; I177-Y179 VanDerWaalsContact C-N 3.33Å; I177-Y179 PolarHBondContact O-N 2.99Å; I177-I180 PolarHBondContact O-N 2.77Å; I177-N181 PolarHBondContact O-N 3.1Å; I177-N181 PolarHBondContact O-OD1 3.35Å; I177-L191 HydrophobicContact CB-CD1 4.27Å; I177-L191 HydrophobicContact CG2-CB 4.47Å; I177-L191 HydrophobicContact CG2-CD1 4.15Å; I177-L192 HydrophobicContact CD1-CD2 4.3Å |
| 178 | V | 97.4 | Very high | 96 | Very high | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.018 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.3 | -38 | -177.6 | 87.7 | 0 | 0 | 0 | 0 | 111.7 | L174 D175 I180 N181 E182 L191 Y238 L312 | L174-V178 PolarHBondContact O-N 3.27Å; D175-V178 WeakPolarHBondContact O-CG1 3.49Å; D175-V178 PolarHBondContact O-N 3.01Å; D175-V178 VanDerWaalsContact O-N 3.14Å; V178-I180 PolarHBondContact O-N 3.37Å; V178-N181 PolarHBondContact O-N 3.32Å; V178-N181 VanDerWaalsContact O-N 3.1Å; V178-E182 HydrophobicContact CG2-CG 4.47Å; V178-E182 VanDerWaalsContact O-CG 3.32Å; V178-E182 WeakPolarHBondContact O-CG 3.38Å; V178-E182 PolarHBondContact O-N 3.23Å; V178-L191 HydrophobicContact CB-CD1 3.7Å; V178-L191 HydrophobicContact CG2-CD1 4.04Å; V178-Y238 HydrophobicContact CG1-CE2 4.49Å; V178-L312 HydrophobicContact CB-CD1 4.37Å; V178-L312 HydrophobicContact CB-CD2 3.84Å; V178-L312 HydrophobicContact CG1-CD1 4.08Å; V178-L312 HydrophobicContact CG1-CD2 3.92Å; V178-L312 HydrophobicContact CG2-CD2 3.76Å |
| 179 | Y | 96.6 | Very high | 95.8 | Very high | 8 Ų | 8 | 50.8 Ų | 50.8 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.1 | -25.6 | 178.5 | -59 | -12 | 0 | 0 | 0 | 112.9 | D175 I177 R183 Y238 E240 R242 | D175-Y179 HydrophobicContact CB-CE1 4.33Å; D175-Y179 HydrophobicContact CB-CE2 3.94Å; D175-Y179 WeakPolarHBondContact O-CB 3.44Å; D175-Y179 VanDerWaalsContact O-CD1 3.28Å; D175-Y179 WeakPolarHBondContact O-CD1 3.29Å; D175-Y179 WeakPolarHBondContact O-CD2 3.26Å; D175-Y179 PolarHBondContact O-N 3.5Å; D175-Y179 PolarHBondContact OD1-OH 3.5Å; I177-Y179 VanDerWaalsContact C-N 3.33Å; I177-Y179 PolarHBondContact O-N 2.99Å; Y179-R183 PolarHBondContact O-NE 3.47Å; Y179-Y238 AromaticContact CE1-CD2 3.88Å; Y179-Y238 HydrophobicContact CE1-CD2 3.88Å; Y179-Y238 HydrophobicContact CE1-CE2 4.03Å; Y179-Y238 HydrophobicContact CE1-CG 4.29Å; Y179-Y238 WeakPolarHBondContact OH-CB 3.26Å; Y179-E240 PolarHBondContact OH-O 3.17Å; Y179-R242 HydrophobicContact CD1-CG 4.35Å; Y179-R242 HydrophobicContact CD2-CB 4.4Å; Y179-R242 HydrophobicContact CD2-CG 4.06Å; Y179-R242 HydrophobicContact CE1-CG 4.2Å; Y179-R242 HydrophobicContact CE2-CB 4.39Å; Y179-R242 HydrophobicContact CE2-CG 3.87Å; Y179-R242 HydrophobicContact CG-CG 4.31Å |
| 180 | I | 95.6 | Very high | 95.7 | Very high | 71 Ų | 71 | 49.4 Ų | 49.4 | 36% | 0.364 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -75.8 | -48.3 | 170.1 | -67.3 | 167.9 | 0 | 0 | 0 | 109.3 | R176 I177 V178 E182 R183 E184 | R176-I180 WeakPolarHBondContact O-CD1 3.43Å; R176-I180 WeakPolarHBondContact O-CG1 3.29Å; R176-I180 PolarHBondContact O-N 2.96Å; I177-I180 PolarHBondContact O-N 2.77Å; V178-I180 PolarHBondContact O-N 3.37Å; I180-E182 VanDerWaalsContact C-N 3.34Å; I180-E182 PolarHBondContact O-N 3.01Å; I180-R183 PolarHBondContact O-N 3.33Å; I180-E184 HydrophobicContact CG2-CG 4.31Å; I180-E184 PolarHBondContact O-N 2.75Å |
| 181 | N | 96.6 | Very high | 95.4 | Very high | 35 Ų | 35 | 49.7 Ų | 49.7 | 19% | 0.187 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.2 | -38.8 | -178 | -69.1 | -4.3 | 0 | 0 | 0 | 113.1 | I177 V178 R183 G185 A187 | I177-N181 PolarHBondContact O-N 3.1Å; I177-N181 PolarHBondContact O-OD1 3.35Å; V178-N181 PolarHBondContact O-N 3.32Å; V178-N181 VanDerWaalsContact O-N 3.1Å; N181-R183 PolarHBondContact O-N 3.07Å; N181-G185 CarbonylContact O-C 2.9Å; N181-G185 VanDerWaalsContact O-C 3.28Å; N181-G185 WeakPolarHBondContact O-CA 3.41Å; N181-G185 PolarHBondContact O-N 3.33Å; N181-A187 WeakPolarHBondContact CB-O 3.42Å; N181-A187 PolarHBondContact ND2-O 2.83Å |
| 182 | E | 94.4 | Very high | 94.7 | Very high | 59 Ų | 59 | 51.8 Ų | 51.8 | 28% | 0.276 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.2 | -28.3 | 175.2 | -73.3 | 171.5 | 167.6 | 0 | 0 | 112.6 | V178 I180 R242 | V178-E182 HydrophobicContact CG2-CG 4.47Å; V178-E182 VanDerWaalsContact O-CG 3.32Å; V178-E182 WeakPolarHBondContact O-CG 3.38Å; V178-E182 PolarHBondContact O-N 3.23Å; I180-E182 VanDerWaalsContact C-N 3.34Å; I180-E182 PolarHBondContact O-N 3.01Å; E182-R242 IonicContact OE1-CZ 2.9Å; E182-R242 IonicContact OE1-NH1 3.52Å; E182-R242 IonicContact OE1-NH2 2.92Å; E182-R242 PolarHBondContact OE1-NH2 3.14Å; E182-R242 IonicContact OE2-CZ 3.61Å; E182-R242 IonicContact OE2-NH1 3.86Å; E182-R242 PolarHBondContact OE2-NH1 3.33Å; E182-R242 IonicContact OE2-NH2 2.72Å; E182-R242 PolarHBondContact OE2-NH2 2.91Å |
| 183 | R | 93.6 | Very high | 93.9 | Very high | 188 Ų | 188 | 58.5 Ų | 58.5 | 71% | 0.709 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -90.5 | -41.2 | -179.7 | -70.5 | -178.1 | -70.8 | 178.5 | -0.2 | 112.8 | Y179 I180 N181 | Y179-R183 PolarHBondContact O-NE 3.47Å; I180-R183 PolarHBondContact O-N 3.33Å; N181-R183 PolarHBondContact O-N 3.07Å |
| 184 | E | 95.9 | Very high | 93.3 | Very high | 159 Ų | 159 | 62.2 Ų | 62.2 | 74% | 0.743 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -101.4 | -10.4 | -170.5 | -60.9 | -173.1 | -179.6 | 0 | 0 | 113 | I180 | I180-E184 HydrophobicContact CG2-CG 4.31Å; I180-E184 PolarHBondContact O-N 2.75Å |
| 185 | G | 93.2 | Very high | 92.7 | Very high | 59 Ų | 59 | 62.8 Ų | 62.8 | 61% | 0.608 | 33% | 0.334 | S | S | * | . | trans | 82.5 | 136.2 | -166.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | N181 | N181-G185 CarbonylContact O-C 2.9Å; N181-G185 VanDerWaalsContact O-C 3.28Å; N181-G185 WeakPolarHBondContact O-CA 3.41Å; N181-G185 PolarHBondContact O-N 3.33Å | ||
| 186 | G | 94 | Very high | 92.2 | Very high | 54 Ų | 54 | 66.3 Ų | 66.3 | 56% | 0.557 | 35% | 0.349 | S | S | * | . | trans | 175.5 | -168.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 187 | A | 95.4 | Very high | 92 | Very high | 55 Ų | 55 | 69.1 Ų | 69.1 | 46% | 0.455 | 36% | 0.363 | S | S | . | . | trans | -66.4 | 138.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | N181 L191 | N181-A187 WeakPolarHBondContact CB-O 3.42Å; N181-A187 PolarHBondContact ND2-O 2.83Å; A187-L191 HydrophobicContact CB-CD2 3.84Å; A187-L191 WeakPolarHBondContact O-CD2 3.46Å | ||
| 188 | N | 96.4 | Very high | 91.7 | Very high | 18 Ų | 18 | 68.8 Ų | 68.8 | 10% | 0.096 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -109.6 | 1.3 | 179.4 | 65.2 | 15.7 | 0 | 0 | 0 | 113 | D379 H380 D381 | N188-D379 WeakPolarHBondContact CB-O 3.43Å; N188-D379 PolarHBondContact ND2-OD1 3.38Å; N188-H380 PolarHBondContact O-ND1 3.17Å; N188-D381 PolarHBondContact ND2-OD2 3.01Å; N188-D381 PolarHBondContact OD1-N 2.78Å; N188-D381 VanDerWaalsContact OD1-N 3.14Å; N188-D381 PolarHBondContact OD1-OD2 2.94Å |
| 189 | N | 95.3 | Very high | 91.5 | Very high | 21 Ų | 21 | 68.8 Ų | 68.8 | 11% | 0.112 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -153.9 | 162.1 | 179.5 | 71.4 | 96.4 | 0 | 0 | 0 | 109.6 | L191 D381 | N189-L191 VanDerWaalsContact C-N 3.32Å; N189-L191 PolarHBondContact O-N 3Å; N189-D381 WeakPolarHBondContact CB-O 3.46Å |
| 190 | H | 95.3 | Very high | 91.2 | Very high | 59 Ų | 59 | 72.7 Ų | 72.7 | 27% | 0.273 | 39% | 0.391 | S | S | . | . | trans | 45.8 | 51.6 | 178.7 | -61.7 | 82.3 | 0 | 0 | 0 | 113.4 | L192 L312 S313 N315 T383 | H190-L192 PolarHBondContact O-N 3.02Å; H190-L312 PolarHBondContact N-O 3.37Å; H190-L312 VanDerWaalsContact N-O 3.16Å; H190-S313 PolarHBondContact CD2-O 3.44Å; H190-S313 VanDerWaalsContact CD2-O 3.3Å; H190-N315 PolarHBondContact CE1-OD1 2.83Å; H190-T383 PolarHBondContact CE1-OG1 3.15Å; H190-T383 VanDerWaalsContact CE1-OG1 3.22Å; H190-T383 PolarHBondContact NE2-OG1 2.84Å | ||
| 191 | L | 91.9 | Very high | 91.1 | Very high | 25 Ų | 25 | 75.7 Ų | 75.7 | 13% | 0.131 | 40% | 0.403 | C | S | . | . | trans | -66.2 | -14 | -164.9 | -60.7 | -175.6 | 0 | 0 | 0 | 115.3 | L174 I177 V178 A187 N189 L312 | L174-L191 HydrophobicContact CB-CD1 4.31Å; I177-L191 HydrophobicContact CB-CD1 4.27Å; I177-L191 HydrophobicContact CG2-CB 4.47Å; I177-L191 HydrophobicContact CG2-CD1 4.15Å; V178-L191 HydrophobicContact CB-CD1 3.7Å; V178-L191 HydrophobicContact CG2-CD1 4.04Å; A187-L191 HydrophobicContact CB-CD2 3.84Å; A187-L191 WeakPolarHBondContact O-CD2 3.46Å; N189-L191 VanDerWaalsContact C-N 3.32Å; N189-L191 PolarHBondContact O-N 3Å; L191-L312 HydrophobicContact CD1-CB 4.17Å; L191-L312 HydrophobicContact CD1-CD2 4.17Å; L191-L312 PolarHBondContact N-O 3.41Å | ||
| 192 | L | 83.8 | Confident | 90.9 | Very high | 52 Ų | 52 | 76.8 Ų | 76.8 | 27% | 0.272 | 41% | 0.409 | S | S | . | . | trans | -112.1 | 119.4 | 176.3 | -61 | -179.3 | 0 | 0 | 0 | 111.6 | P172 L174 I177 H190 M195 | P172-L192 HydrophobicContact CB-CD1 4.1Å; P172-L192 HydrophobicContact CG-CD1 4.43Å; L174-L192 HydrophobicContact CD1-CG 4.45Å; L174-L192 HydrophobicContact CD2-CD1 3.68Å; L174-L192 HydrophobicContact CD2-CD2 3.86Å; L174-L192 HydrophobicContact CD2-CG 3.56Å; I177-L192 HydrophobicContact CD1-CD2 4.3Å; H190-L192 PolarHBondContact O-N 3.02Å; L192-M195 HydrophobicContact CB-CB 4.29Å; L192-M195 HydrophobicContact CB-CE 4.05Å; L192-M195 HydrophobicContact CB-CG 4.05Å; L192-M195 HydrophobicContact CB-SD 4.46Å; L192-M195 HydrophobicContact CD1-CG 4.08Å; L192-M195 HydrophobicContact CD1-SD 4.45Å | ||
| 193 | Q | 79 | Confident | 90.8 | Very high | 173 Ų | 173 | 80.4 Ų | 80.4 | 81% | 0.808 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | 149 | 167.7 | -63.7 | -171.4 | -7.1 | 0 | 0 | 111.2 | M195 | Q193-M195 PolarHBondContact O-N 2.96Š|
| 194 | N | 82.4 | Confident | 90.9 | Very high | 134 Ų | 134 | 79.6 Ų | 79.6 | 72% | 0.717 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 35.1 | 178.7 | -59.5 | -49.2 | 0 | 0 | 0 | 113.8 | K196 K197 A198 | N194-K196 VanDerWaalsContact C-N 3.34Å; N194-K196 PolarHBondContact O-N 2.72Å; N194-K197 PolarHBondContact O-N 2.97Å; N194-K197 VanDerWaalsContact O-N 3.16Å; N194-A198 PolarHBondContact O-N 2.97Å |
| 195 | M | 83.9 | Confident | 90.9 | Very high | 13 Ų | 13 | 72.8 Ų | 72.8 | 6% | 0.064 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -55.6 | -43 | -168.8 | -162.5 | -178.4 | -34.9 | 0 | 0 | 113.5 | L192 Q193 K197 A198 V199 I213 M217 F309 | L192-M195 HydrophobicContact CB-CB 4.29Å; L192-M195 HydrophobicContact CB-CE 4.05Å; L192-M195 HydrophobicContact CB-CG 4.05Å; L192-M195 HydrophobicContact CB-SD 4.46Å; L192-M195 HydrophobicContact CD1-CG 4.08Å; L192-M195 HydrophobicContact CD1-SD 4.45Å; Q193-M195 PolarHBondContact O-N 2.96Å; M195-K197 VanDerWaalsContact C-N 3.33Å; M195-K197 PolarHBondContact O-N 2.56Å; M195-A198 PolarHBondContact O-N 3.14Å; M195-A198 VanDerWaalsContact O-N 3.11Å; M195-V199 HydrophobicContact CG-CG2 4.16Å; M195-V199 WeakPolarHBondContact O-CB 3.49Å; M195-V199 WeakPolarHBondContact O-CG2 3.46Å; M195-V199 PolarHBondContact O-N 2.8Å; M195-I213 HydrophobicContact CG-CG2 4.45Å; M195-I213 HydrophobicContact SD-CG2 4.15Å; M195-M217 HydrophobicContact CE-CE 3.68Å; M195-M217 HydrophobicContact CE-CG 4.44Å; M195-M217 HydrophobicContact CE-SD 3.29Å; M195-M217 WeakPolarHBondContact CE-SD 3.4Å; M195-M217 HydrophobicContact SD-CE 3.6Å; M195-M217 VanDerWaalsContact SD-CE 3.6Å; M195-M217 HydrophobicContact SD-CG 4.1Å; M195-M217 HydrophobicContact SD-SD 3.6Å; M195-M217 VanDerWaalsContact SD-SD 3.6Å; M195-F309 HydrophobicContact SD-CE2 4.05Å; M195-F309 HydrophobicContact SD-CZ 3.56Å; M195-F309 VanDerWaalsContact SD-CZ 3.56Å |
| 196 | K | 86.3 | Confident | 91.2 | Very high | 77 Ų | 77 | 70 Ų | 70 | 34% | 0.335 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -54.8 | -47.2 | 179.1 | -67.2 | -165.1 | 176.9 | -171.6 | 0 | 112.9 | N194 V199 D200 H214 M217 D218 | N194-K196 VanDerWaalsContact C-N 3.34Å; N194-K196 PolarHBondContact O-N 2.72Å; K196-V199 PolarHBondContact O-N 3Å; K196-D200 VanDerWaalsContact O-CG 3.28Å; K196-D200 PolarHBondContact O-N 2.94Å; K196-H214 WeakPolarHBondContact CG-ND1 3.46Å; K196-M217 HydrophobicContact CG-CB 4.49Å; K196-D218 IonicContact NZ-OD1 2.7Å; K196-D218 PolarHBondContact NZ-OD1 2.99Å; K196-D218 IonicContact NZ-OD2 3.51Å; K196-D218 PolarHBondContact NZ-OD2 3.42Å |
| 197 | K | 89.4 | Confident | 91.4 | Very high | 126 Ų | 126 | 69.3 Ų | 69.3 | 55% | 0.548 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.2 | -44.5 | 177.7 | -176.5 | -179.5 | 175.1 | -175.8 | 0 | 111.3 | N194 M195 V199 D200 E201 | N194-K197 PolarHBondContact O-N 2.97Å; N194-K197 VanDerWaalsContact O-N 3.16Å; M195-K197 VanDerWaalsContact C-N 3.33Å; M195-K197 PolarHBondContact O-N 2.56Å; K197-V199 VanDerWaalsContact C-N 3.28Å; K197-V199 PolarHBondContact O-N 3.16Å; K197-D200 PolarHBondContact O-N 2.85Å; K197-E201 WeakPolarHBondContact CE-OE1 3.4Å; K197-E201 IonicContact NZ-OE1 3.31Å; K197-E201 WeakPolarHBondContact O-CG 3.4Å; K197-E201 PolarHBondContact O-N 2.86Å; K197-E201 VanDerWaalsContact O-N 3.08Å |
| 198 | A | 89.5 | Confident | 91.6 | Very high | 55 Ų | 55 | 66.7 Ų | 66.7 | 46% | 0.455 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.3 | -36.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N194 M195 N202 | N194-A198 PolarHBondContact O-N 2.97Å; M195-A198 PolarHBondContact O-N 3.14Å; M195-A198 VanDerWaalsContact O-N 3.11Å; A198-N202 VanDerWaalsContact O-CB 3.29Å; A198-N202 WeakPolarHBondContact O-CB 3.45Å; A198-N202 PolarHBondContact O-N 2.88Å |
| 199 | V | 91.9 | Very high | 91.7 | Very high | 4 Ų | 4 | 65.9 Ų | 65.9 | 2% | 0.024 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.1 | -45.9 | 176.9 | 168.9 | 0 | 0 | 0 | 0 | 111.1 | M195 K196 K197 E201 N202 L205 K210 I213 | M195-V199 HydrophobicContact CG-CG2 4.16Å; M195-V199 WeakPolarHBondContact O-CB 3.49Å; M195-V199 WeakPolarHBondContact O-CG2 3.46Å; M195-V199 PolarHBondContact O-N 2.8Å; K196-V199 PolarHBondContact O-N 3Å; K197-V199 VanDerWaalsContact C-N 3.28Å; K197-V199 PolarHBondContact O-N 3.16Å; V199-E201 PolarHBondContact O-N 3.14Å; V199-N202 PolarHBondContact O-N 3.49Å; V199-L205 HydrophobicContact CB-CD1 4.2Å; V199-L205 HydrophobicContact CG1-CD1 3.87Å; V199-L205 HydrophobicContact CG2-CD1 4.23Å; V199-K210 HydrophobicContact CG1-CB 3.95Å; V199-K210 HydrophobicContact CG1-CD 4.49Å; V199-K210 HydrophobicContact CG1-CG 3.82Å; V199-K210 WeakPolarHBondContact O-CE 3.06Å; V199-K210 PolarHBondContact O-NZ 3.47Å; V199-I213 HydrophobicContact CB-CG2 4.47Å; V199-I213 HydrophobicContact CG1-CB 4.29Å; V199-I213 HydrophobicContact CG1-CD1 4.3Å; V199-I213 HydrophobicContact CG1-CG2 4.3Å; V199-I213 HydrophobicContact CG2-CB 4.28Å; V199-I213 HydrophobicContact CG2-CD1 4.03Å; V199-I213 HydrophobicContact CG2-CG2 3.53Å |
| 200 | D | 91.9 | Very high | 91.8 | Very high | 90 Ų | 90 | 67 Ų | 67 | 48% | 0.481 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 179.7 | -71.9 | -27.3 | 0 | 0 | 0 | 111.9 | K196 K197 N202 K210 H214 | K196-D200 VanDerWaalsContact O-CG 3.28Å; K196-D200 PolarHBondContact O-N 2.94Å; K197-D200 PolarHBondContact O-N 2.85Å; D200-N202 VanDerWaalsContact C-N 3.28Å; D200-N202 PolarHBondContact O-N 3.37Å; D200-K210 PolarHBondContact O-NZ 2.86Å; D200-H214 IonicContact OD1-CD2 3.23Å; D200-H214 IonicContact OD1-CE1 2.67Å; D200-H214 PolarHBondContact OD1-CE1 2.74Å; D200-H214 IonicContact OD1-NE2 3.72Å; D200-H214 PolarHBondContact OD1-NE2 2.92Å; D200-H214 IonicContact OD2-CE1 2.94Å; D200-H214 IonicContact OD2-NE2 3.74Å |
| 201 | E | 91.9 | Very high | 92 | Very high | 133 Ų | 133 | 64.5 Ų | 64.5 | 62% | 0.621 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -73.8 | -16.7 | -179.1 | -67.4 | 176.1 | 170.9 | 0 | 0 | 113.1 | K197 V199 T203 | K197-E201 WeakPolarHBondContact CE-OE1 3.4Å; K197-E201 IonicContact NZ-OE1 3.31Å; K197-E201 WeakPolarHBondContact O-CG 3.4Å; K197-E201 PolarHBondContact O-N 2.86Å; K197-E201 VanDerWaalsContact O-N 3.08Å; V199-E201 PolarHBondContact O-N 3.14Å; E201-T203 PolarHBondContact O-N 3.33Å |
| 202 | N | 92.8 | Very high | 92.3 | Very high | 58 Ų | 58 | 63.3 Ų | 63.3 | 31% | 0.31 | 33% | 0.325 | S | S | . | . | trans | -78.9 | 107.7 | -179.4 | -171 | -16.2 | 0 | 0 | 0 | 111.5 | A198 V199 D200 K204 L205 K210 | A198-N202 VanDerWaalsContact O-CB 3.29Å; A198-N202 WeakPolarHBondContact O-CB 3.45Å; A198-N202 PolarHBondContact O-N 2.88Å; V199-N202 PolarHBondContact O-N 3.49Å; D200-N202 VanDerWaalsContact C-N 3.28Å; D200-N202 PolarHBondContact O-N 3.37Å; N202-K204 PolarHBondContact O-N 2.87Å; N202-K204 WeakPolarHBondContact OD1-CB 3.28Å; N202-K204 PolarHBondContact OD1-N 2.74Å; N202-L205 HydrophobicContact CB-CD1 3.95Å; N202-L205 HydrophobicContact CB-CG 3.99Å; N202-K210 WeakPolarHBondContact O-CE 3.5Å; N202-K210 PolarHBondContact O-NZ 2.96Å | ||
| 203 | T | 92.9 | Very high | 93 | Very high | 135 Ų | 135 | 60.9 Ų | 60.9 | 83% | 0.828 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -7.2 | 179.9 | 63 | 0 | 0 | 0 | 0 | 114.1 | E201 | E201-T203 PolarHBondContact O-N 3.33Š|
| 204 | K | 95.3 | Very high | 93.9 | Very high | 171 Ų | 171 | 54.5 Ų | 54.5 | 74% | 0.743 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -15.9 | 178.2 | -59.2 | -177.5 | 179.2 | 179.3 | 0 | 113.1 | N170 N202 | N170-K204 PolarHBondContact ND2-O 3.04Å; N202-K204 PolarHBondContact O-N 2.87Å; N202-K204 WeakPolarHBondContact OD1-CB 3.28Å; N202-K204 PolarHBondContact OD1-N 2.74Å |
| 205 | L | 97.2 | Very high | 94.7 | Very high | 16 Ų | 16 | 48.5 Ų | 48.5 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -79.2 | 130.2 | 176 | -60.4 | 179.7 | 0 | 0 | 0 | 109.8 | N170 V199 N202 T209 K210 I213 | N170-L205 WeakPolarHBondContact O-CD2 3.29Å; N170-L205 WeakPolarHBondContact OD1-CA 3.29Å; V199-L205 HydrophobicContact CB-CD1 4.2Å; V199-L205 HydrophobicContact CG1-CD1 3.87Å; V199-L205 HydrophobicContact CG2-CD1 4.23Å; N202-L205 HydrophobicContact CB-CD1 3.95Å; N202-L205 HydrophobicContact CB-CG 3.99Å; L205-T209 HydrophobicContact CD2-CG2 4.12Å; L205-K210 HydrophobicContact CB-CD 4.35Å; L205-K210 HydrophobicContact CB-CG 3.66Å; L205-K210 HydrophobicContact CD1-CG 4.26Å; L205-K210 WeakPolarHBondContact O-CE 3.33Å; L205-I213 HydrophobicContact CD1-CD1 4.1Å |
| 206 | A | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -63.8 | 150.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | N161 V165 L167 N170 E208 T209 K210 | N161-A206 WeakPolarHBondContact ND2-CB 3.28Å; V165-A206 HydrophobicContact CG1-CB 4.39Å; L167-A206 HydrophobicContact CD2-CB 3.6Å; N170-A206 WeakPolarHBondContact OD1-CB 3.5Å; N170-A206 PolarHBondContact OD1-N 3.49Å; A206-E208 WeakPolarHBondContact CB-OE2 3.34Å; A206-E208 PolarHBondContact O-N 2.88Å; A206-T209 PolarHBondContact O-N 2.86Å; A206-T209 VanDerWaalsContact O-N 3.14Å; A206-K210 WeakPolarHBondContact O-CG 3.46Å; A206-K210 PolarHBondContact O-N 2.98Å | ||
| 207 | P | 98.4 | Very high | 95.7 | Very high | 41 Ų | 41 | 46.7 Ų | 46.7 | 27% | 0.266 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.3 | -35.8 | 179.8 | 23.6 | -32.4 | 0 | 0 | 0 | 112.2 | F63 Q163 K210 A211 | F63-P207 HydrophobicContact CB-CG 3.93Å; F63-P207 HydrophobicContact CD2-CG 4.43Å; Q163-P207 VanDerWaalsContact OE1-CD 3.3Å; P207-K210 PolarHBondContact O-N 3.23Å; P207-A211 WeakPolarHBondContact O-CB 3.48Å; P207-A211 PolarHBondContact O-N 3.42Å |
| 208 | E | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.9 | -45.9 | 176.1 | -56.7 | 83.9 | 176.6 | 0 | 0 | 111.9 | S62 F63 L68 M137 N161 L167 A206 A211 V212 | S62-E208 WeakPolarHBondContact CA-OE1 2.98Å; S62-E208 WeakPolarHBondContact CB-OE1 2.88Å; F63-E208 PolarHBondContact N-OE1 3.01Å; L68-E208 HydrophobicContact CD1-CB 4.24Å; L68-E208 HydrophobicContact CD1-CG 4.33Å; L68-E208 HydrophobicContact CD2-CG 4.33Å; M137-E208 HydrophobicContact CE-CB 4.46Å; M137-E208 WeakPolarHBondContact O-CG 3.3Å; N161-E208 PolarHBondContact ND2-OE2 3.16Å; L167-E208 HydrophobicContact CD1-CB 3.79Å; L167-E208 HydrophobicContact CD1-CG 4.18Å; L167-E208 HydrophobicContact CD2-CB 4.14Å; A206-E208 WeakPolarHBondContact CB-OE2 3.34Å; A206-E208 PolarHBondContact O-N 2.88Å; E208-A211 PolarHBondContact O-N 3.42Å; E208-V212 WeakPolarHBondContact O-CG2 3.23Å; E208-V212 PolarHBondContact O-N 3.08Å |
| 209 | T | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.9 | -42.4 | 176.8 | -61.5 | 0 | 0 | 0 | 0 | 111.4 | N170 F171 L205 A206 A211 V212 I213 | N170-T209 HydrophobicContact CB-CG2 4.41Å; N170-T209 WeakPolarHBondContact OD1-CB 3.23Å; N170-T209 PolarHBondContact OD1-OG1 3Å; F171-T209 HydrophobicContact CD1-CG2 4.11Å; F171-T209 HydrophobicContact CD2-CG2 4Å; F171-T209 HydrophobicContact CE1-CG2 4.11Å; F171-T209 HydrophobicContact CE2-CG2 3.98Å; F171-T209 HydrophobicContact CG-CG2 4.06Å; F171-T209 HydrophobicContact CZ-CG2 4.04Å; L205-T209 HydrophobicContact CD2-CG2 4.12Å; A206-T209 PolarHBondContact O-N 2.86Å; A206-T209 VanDerWaalsContact O-N 3.14Å; T209-A211 PolarHBondContact O-N 2.97Å; T209-V212 PolarHBondContact O-N 2.77Å; T209-I213 HydrophobicContact CG2-CD1 3.81Å; T209-I213 HydrophobicContact CG2-CG1 4.39Å; T209-I213 VanDerWaalsContact O-CG1 3.25Å; T209-I213 WeakPolarHBondContact O-CG1 3.16Å; T209-I213 PolarHBondContact O-N 2.84Å |
| 210 | K | 98.3 | Very high | 96.7 | Very high | 44 Ų | 44 | 45.5 Ų | 45.5 | 19% | 0.191 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.1 | -46.9 | 176.1 | -67.8 | -170.3 | 180 | -166.9 | 0 | 111.9 | V199 D200 N202 L205 A206 P207 V212 I213 H214 | V199-K210 HydrophobicContact CG1-CB 3.95Å; V199-K210 HydrophobicContact CG1-CD 4.49Å; V199-K210 HydrophobicContact CG1-CG 3.82Å; V199-K210 WeakPolarHBondContact O-CE 3.06Å; V199-K210 PolarHBondContact O-NZ 3.47Å; D200-K210 PolarHBondContact O-NZ 2.86Å; N202-K210 WeakPolarHBondContact O-CE 3.5Å; N202-K210 PolarHBondContact O-NZ 2.96Å; L205-K210 HydrophobicContact CB-CD 4.35Å; L205-K210 HydrophobicContact CB-CG 3.66Å; L205-K210 HydrophobicContact CD1-CG 4.26Å; L205-K210 WeakPolarHBondContact O-CE 3.33Å; A206-K210 WeakPolarHBondContact O-CG 3.46Å; A206-K210 PolarHBondContact O-N 2.98Å; P207-K210 PolarHBondContact O-N 3.23Å; K210-V212 PolarHBondContact O-N 2.9Å; K210-I213 PolarHBondContact O-N 3.35Å; K210-H214 PolarHBondContact O-CD2 2.94Å; K210-H214 PolarHBondContact O-N 2.91Å |
| 211 | A | 98.6 | Very high | 97 | Very high | 8 Ų | 8 | 41.4 Ų | 41.4 | 7% | 0.066 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.6 | -47.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | I59 L68 P207 E208 T209 H214 W215 | I59-A211 HydrophobicContact CD1-CB 4.01Å; I59-A211 HydrophobicContact CG1-CB 4.1Å; I59-A211 WeakPolarHBondContact O-CB 3.45Å; L68-A211 HydrophobicContact CD1-CB 3.7Å; P207-A211 WeakPolarHBondContact O-CB 3.48Å; P207-A211 PolarHBondContact O-N 3.42Å; E208-A211 PolarHBondContact O-N 3.42Å; T209-A211 PolarHBondContact O-N 2.97Å; A211-H214 PolarHBondContact O-N 2.68Å; A211-W215 WeakPolarHBondContact O-CB 3.27Å; A211-W215 PolarHBondContact O-N 3.5Å |
| 212 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.7 | -39.8 | 178.7 | 171.9 | 0 | 0 | 0 | 0 | 112 | I59 I90 M134 M137 F171 E208 T209 K210 H214 W215 I216 M306 | I59-V212 HydrophobicContact CD1-CB 4.45Å; I59-V212 HydrophobicContact CD1-CG2 3.75Å; I90-V212 HydrophobicContact CD1-CG1 4.28Å; M134-V212 HydrophobicContact SD-CG2 4.42Å; M137-V212 HydrophobicContact CE-CB 4.07Å; M137-V212 HydrophobicContact CE-CG2 3.72Å; M137-V212 HydrophobicContact CG-CG2 4Å; M137-V212 HydrophobicContact SD-CG2 3.97Å; F171-V212 HydrophobicContact CE1-CG1 4.16Å; F171-V212 HydrophobicContact CZ-CB 4.29Å; F171-V212 HydrophobicContact CZ-CG1 3.95Å; E208-V212 WeakPolarHBondContact O-CG2 3.23Å; E208-V212 PolarHBondContact O-N 3.08Å; T209-V212 PolarHBondContact O-N 2.77Å; K210-V212 PolarHBondContact O-N 2.9Å; V212-H214 PolarHBondContact O-N 3.03Å; V212-W215 WeakPolarHBondContact O-CB 3.47Å; V212-W215 PolarHBondContact O-N 3.17Å; V212-I216 HydrophobicContact CG1-CD1 3.76Å; V212-I216 HydrophobicContact CG1-CG1 4.24Å; V212-I216 VanDerWaalsContact O-CG1 3.28Å; V212-I216 WeakPolarHBondContact O-CG1 3.34Å; V212-I216 PolarHBondContact O-N 3.32Å; V212-M306 HydrophobicContact CG1-SD 3.78Å |
| 213 | I | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.1 | -47.9 | 175.8 | -67.1 | 167.5 | 0 | 0 | 0 | 110.8 | F171 P172 M195 V199 L205 T209 K210 W215 I216 M217 F309 | F171-I213 HydrophobicContact CD1-CD1 4.03Å; F171-I213 HydrophobicContact CD1-CG1 3.73Å; F171-I213 HydrophobicContact CE1-CD1 4.32Å; F171-I213 HydrophobicContact CE1-CG1 3.64Å; P172-I213 HydrophobicContact CG-CD1 4.36Å; M195-I213 HydrophobicContact CG-CG2 4.45Å; M195-I213 HydrophobicContact SD-CG2 4.15Å; V199-I213 HydrophobicContact CB-CG2 4.47Å; V199-I213 HydrophobicContact CG1-CB 4.29Å; V199-I213 HydrophobicContact CG1-CD1 4.3Å; V199-I213 HydrophobicContact CG1-CG2 4.3Å; V199-I213 HydrophobicContact CG2-CB 4.28Å; V199-I213 HydrophobicContact CG2-CD1 4.03Å; V199-I213 HydrophobicContact CG2-CG2 3.53Å; L205-I213 HydrophobicContact CD1-CD1 4.1Å; T209-I213 HydrophobicContact CG2-CD1 3.81Å; T209-I213 HydrophobicContact CG2-CG1 4.39Å; T209-I213 VanDerWaalsContact O-CG1 3.25Å; T209-I213 WeakPolarHBondContact O-CG1 3.16Å; T209-I213 PolarHBondContact O-N 2.84Å; K210-I213 PolarHBondContact O-N 3.35Å; I213-W215 VanDerWaalsContact C-N 3.25Å; I213-W215 PolarHBondContact O-N 2.78Å; I213-I216 PolarHBondContact O-N 3.33Å; I213-M217 HydrophobicContact CG2-CG 4.44Å; I213-M217 VanDerWaalsContact O-CG 3.28Å; I213-M217 WeakPolarHBondContact O-CG 3.41Å; I213-M217 PolarHBondContact O-N 3.06Å; I213-M217 VanDerWaalsContact O-N 3.09Å; I213-F309 HydrophobicContact CB-CE1 4.31Å; I213-F309 HydrophobicContact CB-CZ 4.23Å; I213-F309 HydrophobicContact CD1-CZ 4.19Å; I213-F309 HydrophobicContact CG1-CE1 3.76Å; I213-F309 HydrophobicContact CG1-CE2 4.46Å; I213-F309 HydrophobicContact CG1-CZ 3.71Å; I213-F309 HydrophobicContact CG2-CE1 4.08Å; I213-F309 HydrophobicContact CG2-CZ 3.63Å |
| 214 | H | 97.8 | Very high | 98 | Very high | 39 Ų | 39 | 26 Ų | 26 | 18% | 0.181 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.5 | -42.9 | 176.5 | -77.6 | -63.5 | 0 | 0 | 0 | 111.7 | K196 D200 K210 A211 V212 M217 D218 | K196-H214 WeakPolarHBondContact CG-ND1 3.46Å; D200-H214 IonicContact OD1-CD2 3.23Å; D200-H214 IonicContact OD1-CE1 2.67Å; D200-H214 PolarHBondContact OD1-CE1 2.74Å; D200-H214 IonicContact OD1-NE2 3.72Å; D200-H214 PolarHBondContact OD1-NE2 2.92Å; D200-H214 IonicContact OD2-CE1 2.94Å; D200-H214 IonicContact OD2-NE2 3.74Å; K210-H214 PolarHBondContact O-CD2 2.94Å; K210-H214 PolarHBondContact O-N 2.91Å; A211-H214 PolarHBondContact O-N 2.68Å; V212-H214 PolarHBondContact O-N 3.03Å; H214-M217 CarbonylContact O-C 3.59Å; H214-M217 WeakPolarHBondContact O-CB 3.21Å; H214-M217 PolarHBondContact O-N 3.24Å; H214-M217 VanDerWaalsContact O-N 3.11Å; H214-D218 WeakPolarHBondContact O-CB 3.34Å; H214-D218 PolarHBondContact O-N 2.79Å |
| 215 | W | 98.4 | Very high | 98.1 | Very high | 8 Ų | 8 | 17.9 Ų | 17.9 | 3% | 0.03 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 178.6 | -177.1 | 48.8 | 0 | 0 | 0 | 113.4 | Y57 I59 V70 K88 I90 H132 M134 A211 V212 I213 M217 D218 I219 F221 | Y57-W215 AromaticContact CE2-NE1 3.92Å; Y57-W215 AromaticContact CZ-NE1 3.84Å; Y57-W215 PolarHBondContact OH-NE1 3Å; I59-W215 HydrophobicContact CB-CB 4.3Å; I59-W215 HydrophobicContact CB-CG 4.44Å; I59-W215 HydrophobicContact CD1-CB 3.98Å; I59-W215 HydrophobicContact CD1-CD2 4.32Å; I59-W215 HydrophobicContact CD1-CE3 4.19Å; I59-W215 HydrophobicContact CD1-CG 4.27Å; I59-W215 HydrophobicContact CG2-CB 4.04Å; I59-W215 HydrophobicContact CG2-CD2 4.11Å; I59-W215 HydrophobicContact CG2-CG 3.67Å; V70-W215 HydrophobicContact CG1-CZ2 4.16Å; V70-W215 HydrophobicContact CG2-CZ2 4.26Å; K88-W215 HydrophobicContact CB-CH2 3.73Å; K88-W215 HydrophobicContact CB-CZ2 4.25Å; K88-W215 HydrophobicContact CB-CZ3 4.49Å; K88-W215 HydrophobicContact CD-CE3 4.21Å; K88-W215 HydrophobicContact CD-CH2 3.63Å; K88-W215 HydrophobicContact CD-CZ2 4.31Å; K88-W215 HydrophobicContact CD-CZ3 3.58Å; K88-W215 HydrophobicContact CG-CH2 4.26Å; I90-W215 HydrophobicContact CD1-CE3 4.46Å; I90-W215 HydrophobicContact CD1-CZ3 3.74Å; I90-W215 HydrophobicContact CG1-CH2 4.34Å; I90-W215 HydrophobicContact CG1-CZ3 3.77Å; H132-W215 HydrophobicContact CB-CH2 4.3Å; H132-W215 HydrophobicContact CB-CZ2 3.71Å; M134-W215 HydrophobicContact CB-CH2 4.49Å; M134-W215 HydrophobicContact CE-CE3 4.38Å; M134-W215 HydrophobicContact CE-CZ3 4.2Å; A211-W215 WeakPolarHBondContact O-CB 3.27Å; A211-W215 PolarHBondContact O-N 3.5Å; V212-W215 WeakPolarHBondContact O-CB 3.47Å; V212-W215 PolarHBondContact O-N 3.17Å; I213-W215 VanDerWaalsContact C-N 3.25Å; I213-W215 PolarHBondContact O-N 2.78Å; W215-M217 PolarHBondContact O-N 3.05Å; W215-D218 PolarHBondContact O-N 3.03Å; W215-D218 VanDerWaalsContact O-N 3.16Å; W215-I219 PolarHBondContact O-N 2.87Å; W215-F221 AromaticContact CD2-CE2 3.96Å; W215-F221 HydrophobicContact CD2-CE2 3.96Å; W215-F221 HydrophobicContact CD2-CZ 4.15Å; W215-F221 AromaticContact CE2-CE2 3.69Å; W215-F221 AromaticContact CE2-CZ 3.41Å; W215-F221 VanDerWaalsContact CE2-CZ 3.41Å; W215-F221 HydrophobicContact CE3-CE2 4.5Å; W215-F221 HydrophobicContact CG-CE2 4.31Å; W215-F221 HydrophobicContact CH2-CZ 4.09Å; W215-F221 HydrophobicContact CZ2-CE1 4.24Å; W215-F221 HydrophobicContact CZ2-CE2 4.02Å; W215-F221 AromaticContact CZ2-CZ 3.37Å; W215-F221 HydrophobicContact CZ2-CZ 3.37Å; W215-F221 AromaticContact NE1-CE2 3.86Å; W215-F221 AromaticContact NE1-CZ 3.62Å |
| 216 | I | 97.9 | Very high | 98.2 | Very high | 4 Ų | 4 | 17.2 Ų | 17.2 | 2% | 0.021 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.2 | -34.6 | 174.1 | -64.3 | 164.2 | 0 | 0 | 0 | 110.6 | V212 I213 F309 | V212-I216 HydrophobicContact CG1-CD1 3.76Å; V212-I216 HydrophobicContact CG1-CG1 4.24Å; V212-I216 VanDerWaalsContact O-CG1 3.28Å; V212-I216 WeakPolarHBondContact O-CG1 3.34Å; V212-I216 PolarHBondContact O-N 3.32Å; I213-I216 PolarHBondContact O-N 3.33Å; I216-F309 HydrophobicContact CD1-CD1 4.04Å; I216-F309 HydrophobicContact CD1-CE1 4.03Å |
| 217 | M | 95.1 | Very high | 98.2 | Very high | 49 Ų | 49 | 17.2 Ų | 17.2 | 24% | 0.241 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -80.6 | -16 | 179 | -62.7 | -56 | 117.2 | 0 | 0 | 114.4 | M195 K196 I213 H214 W215 F309 S313 | M195-M217 HydrophobicContact CE-CE 3.68Å; M195-M217 HydrophobicContact CE-CG 4.44Å; M195-M217 HydrophobicContact CE-SD 3.29Å; M195-M217 WeakPolarHBondContact CE-SD 3.4Å; M195-M217 HydrophobicContact SD-CE 3.6Å; M195-M217 VanDerWaalsContact SD-CE 3.6Å; M195-M217 HydrophobicContact SD-CG 4.1Å; M195-M217 HydrophobicContact SD-SD 3.6Å; M195-M217 VanDerWaalsContact SD-SD 3.6Å; K196-M217 HydrophobicContact CG-CB 4.49Å; I213-M217 HydrophobicContact CG2-CG 4.44Å; I213-M217 VanDerWaalsContact O-CG 3.28Å; I213-M217 WeakPolarHBondContact O-CG 3.41Å; I213-M217 PolarHBondContact O-N 3.06Å; I213-M217 VanDerWaalsContact O-N 3.09Å; H214-M217 CarbonylContact O-C 3.59Å; H214-M217 WeakPolarHBondContact O-CB 3.21Å; H214-M217 PolarHBondContact O-N 3.24Å; H214-M217 VanDerWaalsContact O-N 3.11Å; W215-M217 PolarHBondContact O-N 3.05Å; M217-F309 HydrophobicContact CE-CE1 4.23Å; M217-F309 HydrophobicContact CE-CZ 4.31Å; M217-S313 VanDerWaalsContact CE-OG 3.3Å; M217-S313 WeakPolarHBondContact CE-OG 3.42Å |
| 218 | D | 95.4 | Very high | 98.3 | Very high | 103 Ų | 103 | 15.5 Ų | 15.5 | 55% | 0.551 | 8% | 0.08 | S | C | * | . | H | α-helix | trans | -94.1 | -25.4 | -174.3 | -88.4 | -39.7 | 0 | 0 | 0 | 113.8 | K196 H214 W215 | K196-D218 IonicContact NZ-OD1 2.7Å; K196-D218 PolarHBondContact NZ-OD1 2.99Å; K196-D218 IonicContact NZ-OD2 3.51Å; K196-D218 PolarHBondContact NZ-OD2 3.42Å; H214-D218 WeakPolarHBondContact O-CB 3.34Å; H214-D218 PolarHBondContact O-N 2.79Å; W215-D218 PolarHBondContact O-N 3.03Å; W215-D218 VanDerWaalsContact O-N 3.16Å |
| 219 | I | 97.8 | Very high | 98.2 | Very high | 24 Ų | 24 | 15.5 Ų | 15.5 | 12% | 0.123 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -121.4 | 133.9 | -176.5 | -58.5 | -175.8 | 0 | 0 | 0 | 108.2 | E86 W215 F221 | E86-I219 HydrophobicContact CB-CG2 3.69Å; E86-I219 HydrophobicContact CG-CG2 3.56Å; W215-I219 PolarHBondContact O-N 2.87Å; I219-F221 HydrophobicContact CB-CD2 3.91Å; I219-F221 HydrophobicContact CB-CE1 4.34Å; I219-F221 HydrophobicContact CB-CE2 3.55Å; I219-F221 HydrophobicContact CB-CG 4.47Å; I219-F221 HydrophobicContact CB-CZ 3.77Å; I219-F221 HydrophobicContact CD1-CE2 4.22Å; I219-F221 HydrophobicContact CD1-CZ 3.82Å; I219-F221 HydrophobicContact CG1-CE2 4.28Å; I219-F221 HydrophobicContact CG1-CZ 4.32Å; I219-F221 HydrophobicContact CG2-CD1 4.05Å; I219-F221 HydrophobicContact CG2-CD2 4.14Å; I219-F221 HydrophobicContact CG2-CE1 3.79Å; I219-F221 HydrophobicContact CG2-CE2 3.92Å; I219-F221 HydrophobicContact CG2-CG 4.21Å; I219-F221 HydrophobicContact CG2-CZ 3.71Å; I219-F221 PolarHBondContact O-N 3.1Å |
| 220 | P | 97.8 | Very high | 98 | Very high | 33 Ų | 33 | 16.1 Ų | 16.1 | 21% | 0.214 | 9% | 0.087 | C | C | . | . | trans | -75.1 | 61.6 | 179.9 | 32.3 | -35.5 | 0 | 0 | 0 | 111.7 | E86 V222 A385 W391 | E86-P220 HydrophobicContact CG-CG 3.89Å; P220-V222 PolarHBondContact O-N 2.67Å; P220-A385 HydrophobicContact CB-CB 3.85Å; P220-A385 HydrophobicContact CG-CB 4.08Å; P220-W391 HydrophobicContact CB-CZ3 4.36Å | ||
| 221 | F | 98.9 | Very high | 97.9 | Very high | 3 Ų | 3 | 14.2 Ų | 14.2 | 1% | 0.013 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 131.1 | 178.4 | -72.2 | -63.3 | 0 | 0 | 0 | 111.5 | E86 K88 H132 W215 I219 C316 | E86-F221 HydrophobicContact CB-CD1 3.97Å; E86-F221 HydrophobicContact CB-CE1 4.41Å; K88-F221 HydrophobicContact CB-CD1 3.91Å; K88-F221 HydrophobicContact CB-CE1 3.56Å; K88-F221 HydrophobicContact CB-CZ 4.07Å; K88-F221 HydrophobicContact CD-CD1 3.98Å; K88-F221 HydrophobicContact CD-CD2 3.85Å; K88-F221 HydrophobicContact CD-CE1 3.95Å; K88-F221 HydrophobicContact CD-CE2 3.79Å; K88-F221 HydrophobicContact CD-CG 3.94Å; K88-F221 HydrophobicContact CD-CZ 3.86Å; K88-F221 HydrophobicContact CG-CD1 3.93Å; K88-F221 HydrophobicContact CG-CE1 4Å; K88-F221 HydrophobicContact CG-CG 4.28Å; K88-F221 HydrophobicContact CG-CZ 4.39Å; H132-F221 HydrophobicContact CB-CE1 4.17Å; H132-F221 HydrophobicContact CB-CZ 4.4Å; H132-F221 AromaticContact CD2-CE1 3.5Å; H132-F221 AromaticContact CD2-CZ 3.99Å; W215-F221 AromaticContact CD2-CE2 3.96Å; W215-F221 HydrophobicContact CD2-CE2 3.96Å; W215-F221 HydrophobicContact CD2-CZ 4.15Å; W215-F221 AromaticContact CE2-CE2 3.69Å; W215-F221 AromaticContact CE2-CZ 3.41Å; W215-F221 VanDerWaalsContact CE2-CZ 3.41Å; W215-F221 HydrophobicContact CE3-CE2 4.5Å; W215-F221 HydrophobicContact CG-CE2 4.31Å; W215-F221 HydrophobicContact CH2-CZ 4.09Å; W215-F221 HydrophobicContact CZ2-CE1 4.24Å; W215-F221 HydrophobicContact CZ2-CE2 4.02Å; W215-F221 AromaticContact CZ2-CZ 3.37Å; W215-F221 HydrophobicContact CZ2-CZ 3.37Å; W215-F221 AromaticContact NE1-CE2 3.86Å; W215-F221 AromaticContact NE1-CZ 3.62Å; I219-F221 HydrophobicContact CB-CD2 3.91Å; I219-F221 HydrophobicContact CB-CE1 4.34Å; I219-F221 HydrophobicContact CB-CE2 3.55Å; I219-F221 HydrophobicContact CB-CG 4.47Å; I219-F221 HydrophobicContact CB-CZ 3.77Å; I219-F221 HydrophobicContact CD1-CE2 4.22Å; I219-F221 HydrophobicContact CD1-CZ 3.82Å; I219-F221 HydrophobicContact CG1-CE2 4.28Å; I219-F221 HydrophobicContact CG1-CZ 4.32Å; I219-F221 HydrophobicContact CG2-CD1 4.05Å; I219-F221 HydrophobicContact CG2-CD2 4.14Å; I219-F221 HydrophobicContact CG2-CE1 3.79Å; I219-F221 HydrophobicContact CG2-CE2 3.92Å; I219-F221 HydrophobicContact CG2-CG 4.21Å; I219-F221 HydrophobicContact CG2-CZ 3.71Å; I219-F221 PolarHBondContact O-N 3.1Å; F221-C316 HydrophobicContact CB-CB 3.78Å; F221-C316 VanDerWaalsContact O-CA 3.23Å; F221-C316 WeakPolarHBondContact O-CA 3.22Å; F221-C316 VanDerWaalsContact O-CB 3.3Å; F221-C316 WeakPolarHBondContact O-CB 3.49Å; F221-C316 PolarHBondContact O-N 2.59Å |
| 222 | V | 98.9 | Very high | 97.9 | Very high | 4 Ų | 4 | 14.2 Ų | 14.2 | 2% | 0.024 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | -48.9 | 180 | 178.6 | 0 | 0 | 0 | 0 | 110.4 | P85 E86 P220 F317 T352 W391 L393 | P85-V222 HydrophobicContact CB-CB 4.42Å; P85-V222 HydrophobicContact CB-CG2 3.89Å; E86-V222 PolarHBondContact O-N 2.84Å; P220-V222 PolarHBondContact O-N 2.67Å; V222-F317 PolarHBondContact O-N 3.44Å; V222-T352 HydrophobicContact CB-CG2 3.8Å; V222-T352 HydrophobicContact CG1-CG2 3.92Å; V222-W391 HydrophobicContact CB-CB 4.36Å; V222-W391 HydrophobicContact CG1-CB 3.74Å; V222-W391 HydrophobicContact CG1-CG 4.49Å; V222-W391 HydrophobicContact CG2-CB 3.64Å; V222-W391 HydrophobicContact CG2-CD2 3.7Å; V222-W391 HydrophobicContact CG2-CE3 3.68Å; V222-W391 HydrophobicContact CG2-CG 3.7Å; V222-L393 HydrophobicContact CG1-CD1 4.28Å; V222-L393 HydrophobicContact CG1-CD2 4.11Å; V222-L393 HydrophobicContact CG1-CG 4.04Å |
| 223 | L | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 145.7 | -176.5 | -176.8 | 68.4 | 0 | 0 | 0 | 110.3 | F87 K88 L261 F317 Y348 Q351 T352 L393 | F87-L223 HydrophobicContact CD2-CB 3.97Å; F87-L223 HydrophobicContact CD2-CD2 4.21Å; F87-L223 HydrophobicContact CD2-CG 4.11Å; F87-L223 WeakPolarHBondContact CD2-O 3.04Å; F87-L223 HydrophobicContact CE2-CB 4.37Å; F87-L223 HydrophobicContact CE2-CD2 4.07Å; F87-L223 HydrophobicContact CE2-CG 4.01Å; K88-L223 PolarHBondContact N-O 3.38Å; K88-L223 VanDerWaalsContact N-O 3.17Å; L223-L261 HydrophobicContact CD1-CD1 3.7Å; L223-L261 HydrophobicContact CD1-CD2 3.88Å; L223-L261 HydrophobicContact CD1-CG 4.36Å; L223-L261 HydrophobicContact CD2-CD2 4.24Å; L223-F317 CarbonylContact C-O 3.49Å; L223-F317 WeakPolarHBondContact CA-O 3.44Å; L223-F317 HydrophobicContact CD1-CB 4.27Å; L223-F317 WeakPolarHBondContact CD1-O 3.48Å; L223-Y348 HydrophobicContact CD1-CE1 4.29Å; L223-Y348 WeakPolarHBondContact CD1-OH 3.48Å; L223-Y348 HydrophobicContact CD2-CD1 4.45Å; L223-Y348 HydrophobicContact CD2-CE1 4.03Å; L223-Y348 WeakPolarHBondContact CD2-O 3.47Å; L223-Y348 HydrophobicContact CG-CE1 3.99Å; L223-Q351 HydrophobicContact CD2-CB 3.76Å; L223-T352 HydrophobicContact CB-CG2 4.07Å; L223-L393 HydrophobicContact CB-CD1 4.3Å; L223-L393 HydrophobicContact CD1-CD1 3.93Å |
| 224 | S | 99 | Very high | 97.9 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 156.4 | 179.8 | -177 | 0 | 0 | 0 | 0 | 112.1 | K88 C316 F317 E318 I319 Y348 | K88-S224 WeakPolarHBondContact CE-OG 3.41Å; K88-S224 VanDerWaalsContact CG-OG 3.23Å; K88-S224 WeakPolarHBondContact CG-OG 3.45Å; K88-S224 PolarHBondContact NZ-OG 3.29Å; K88-S224 VanDerWaalsContact O-CA 3.23Å; K88-S224 WeakPolarHBondContact O-CA 3.42Å; K88-S224 PolarHBondContact O-OG 3.46Å; S224-C316 WeakPolarHBondContact CB-SG 3.5Å; S224-F317 PolarHBondContact N-O 3.3Å; S224-E318 WeakPolarHBondContact CB-OE2 3.34Å; S224-E318 WeakPolarHBondContact O-CA 3.32Å; S224-E318 PolarHBondContact OG-OE2 3.16Å; S224-I319 PolarHBondContact O-N 3.41Å; S224-Y348 PolarHBondContact O-OH 2.78Å; S224-Y348 VanDerWaalsContact O-OH 3.06Å |
| 225 | A | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 147.7 | 153 | 0 | 0 | 0 | 0 | 0 | 111.8 | K88 Y89 I90 L227 I319 L321 Y348 | K88-A225 PolarHBondContact O-N 3.35Å; Y89-A225 HydrophobicContact CD1-CB 3.88Å; Y89-A225 HydrophobicContact CE1-CB 3.66Å; I90-A225 PolarHBondContact N-O 2.91Å; A225-L227 HydrophobicContact CB-CD1 4.47Å; A225-I319 CarbonylContact C-O 3.37Å; A225-I319 WeakPolarHBondContact CA-O 3.39Å; A225-I319 HydrophobicContact CB-CG1 3.84Å; A225-I319 WeakPolarHBondContact CB-O 3.48Å; A225-L321 HydrophobicContact CB-CD1 3.6Å; A225-L321 HydrophobicContact CB-CG 3.98Å; A225-Y348 HydrophobicContact CB-CD1 4.38Å; A225-Y348 HydrophobicContact CB-CE1 3.76Å |
| 226 | N | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 12.6 Ų | 12.6 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 134.9 | 169 | 72.4 | 73.5 | 0 | 0 | 0 | 110.6 | I90 H228 M306 E318 I319 T320 L321 | I90-N226 HydrophobicContact CB-CB 4.43Å; I90-N226 CarbonylContact O-C 3.59Å; I90-N226 WeakPolarHBondContact O-CA 3.44Å; N226-H228 PolarHBondContact OD1-CD2 3.24Å; N226-H228 PolarHBondContact OD1-NE2 2.86Å; N226-M306 HydrophobicContact CB-CE 3.34Å; N226-E318 PolarHBondContact ND2-OE1 3.3Å; N226-I319 PolarHBondContact N-O 3.13Å; N226-T320 PolarHBondContact ND2-OG1 2.82Å; N226-T320 CarbonylContact O-C 3.41Å; N226-T320 WeakPolarHBondContact O-CA 3.46Å; N226-T320 WeakPolarHBondContact OD1-CG2 3.42Å; N226-T320 PolarHBondContact OD1-OG1 2.86Å; N226-L321 PolarHBondContact O-N 3Å |
| 227 | L | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.005 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 124.3 | -168.2 | -73.6 | 67.6 | 0 | 0 | 0 | 111.1 | Y89 I90 A91 N92 V104 A225 L321 L323 L345 | Y89-L227 HydrophobicContact CD1-CD1 3.46Å; Y89-L227 VanDerWaalsContact CD1-CD1 3.46Å; Y89-L227 HydrophobicContact CE1-CD1 4Å; Y89-L227 HydrophobicContact CG-CD1 4.2Å; I90-L227 WeakPolarHBondContact O-CD1 3.44Å; I90-L227 PolarHBondContact O-N 3.26Å; A91-L227 HydrophobicContact CB-CB 3.99Å; N92-L227 PolarHBondContact N-O 2.78Å; V104-L227 HydrophobicContact CG2-CD2 3.98Å; A225-L227 HydrophobicContact CB-CD1 4.47Å; L227-L321 HydrophobicContact CD1-CD1 4.41Å; L227-L321 HydrophobicContact CG-CD1 4.5Å; L227-L323 HydrophobicContact CB-CD1 3.91Å; L227-L323 HydrophobicContact CD2-CD1 3.69Å; L227-L323 HydrophobicContact CG-CD1 3.84Å; L227-L345 HydrophobicContact CD2-CD2 4.21Å |
| 228 | H | 98.9 | Very high | 98.2 | Very high | 4 Ų | 4 | 10.1 Ų | 10.1 | 2% | 0.019 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 173.3 | -174 | -80.8 | -93.8 | 0 | 0 | 0 | 112.7 | M93 H94 E97 N226 T320 L321 E322 L323 | M93-H228 VanDerWaalsContact CG-CE1 3.41Å; M93-H228 WeakPolarHBondContact CG-CE1 3.11Å; M93-H228 WeakPolarHBondContact CG-NE2 3.37Å; M93-H228 VanDerWaalsContact SD-CE1 3.51Å; M93-H228 PolarHBondContact SD-NE2 3.01Å; H94-H228 AromaticContact CE1-CE1 3.53Å; H94-H228 AromaticContact CE1-ND1 3.94Å; H94-H228 AromaticContact ND1-CE1 3.24Å; H94-H228 PolarHBondContact ND1-CE1 3.05Å; H94-H228 AromaticContact ND1-ND1 3.31Å; H94-H228 PolarHBondContact ND1-ND1 3.42Å; E97-H228 WeakPolarHBondContact OE2-CA 3.46Å; E97-H228 WeakPolarHBondContact OE2-CB 3.33Å; E97-H228 IonicContact OE2-CE1 2.74Å; E97-H228 IonicContact OE2-CG 3.06Å; E97-H228 IonicContact OE2-ND1 3.79Å; E97-H228 PolarHBondContact OE2-ND1 2.89Å; N226-H228 PolarHBondContact OD1-CD2 3.24Å; N226-H228 PolarHBondContact OD1-NE2 2.86Å; H228-T320 HydrophobicContact CB-CG2 4.43Å; H228-L321 PolarHBondContact N-O 3.14Å; H228-E322 VanDerWaalsContact CB-CD 3.45Å; H228-E322 HydrophobicContact CB-CG 4.37Å; H228-E322 WeakPolarHBondContact CB-OE1 3.11Å; H228-E322 WeakPolarHBondContact CB-OE2 3.37Å; H228-L323 PolarHBondContact O-N 2.87Å |
| 229 | G | 97.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 5.5 Ų | 5.5 | 1% | 0.01 | 3% | 0.033 | C | C | . | . | trans | -143.7 | 154.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E97 E322 K327 | E97-G229 VanDerWaalsContact CG-O 3.27Å; E97-G229 WeakPolarHBondContact CG-O 3.03Å; E97-G229 PolarHBondContact OE2-N 2.95Å; E97-G229 VanDerWaalsContact OE2-N 3.1Å; G229-E322 VanDerWaalsContact CA-OE2 3.3Å; G229-E322 WeakPolarHBondContact CA-OE2 3.27Å; G229-E322 PolarHBondContact N-OE2 2.76Å; G229-K327 WeakPolarHBondContact O-CE 3.4Å | ||
| 230 | G | 95.3 | Very high | 98.3 | Very high | 12 Ų | 12 | 4.9 Ų | 4.9 | 12% | 0.124 | 3% | 0.03 | C | C | . | . | S | Bend | trans | 135.7 | -23.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112 | E322 S324 | G230-E322 PolarHBondContact N-OE2 3.16Å; G230-S324 PolarHBondContact N-O 3.39Å |
| 231 | D | 96.1 | Very high | 98.3 | Very high | 4 Ų | 4 | 3.3 Ų | 3.3 | 2% | 0.021 | 2% | 0.02 | C | C | . | . | S | Bend | trans | -146.9 | -171.1 | 171.7 | -142.3 | -42.1 | 0 | 0 | 0 | 111.7 | R277 C280 F289 W299 E322 L323 S324 | D231-R277 IonicContact OD1-CZ 2.83Å; D231-R277 IonicContact OD1-NH1 2.73Å; D231-R277 PolarHBondContact OD1-NH1 2.88Å; D231-R277 IonicContact OD1-NH2 3.54Å; D231-C280 PolarHBondContact OD1-SG 3.4Å; D231-C280 VanDerWaalsContact OD1-SG 3.35Å; D231-F289 HydrophobicContact CB-CE2 4.47Å; D231-W299 HydrophobicContact CB-CH2 4.01Å; D231-W299 HydrophobicContact CB-CZ2 4Å; D231-E322 HydrophobicContact CB-CB 4.2Å; D231-E322 HydrophobicContact CB-CG 4.42Å; D231-E322 CarbonylContact O-C 3.29Å; D231-E322 VanDerWaalsContact O-C 3.32Å; D231-E322 WeakPolarHBondContact O-CB 3.42Å; D231-L323 PolarHBondContact O-N 3.43Å; D231-S324 PolarHBondContact N-O 3.02Å; D231-S324 CarbonylContact O-C 3.54Å; D231-S324 VanDerWaalsContact O-C 3.24Å; D231-S324 PolarHBondContact O-N 3.47Å |
| 232 | V | 97.6 | Very high | 98.1 | Very high | 8 Ų | 8 | 6.9 Ų | 6.9 | 5% | 0.048 | 3% | 0.033 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 90.8 | 173.2 | -172.1 | 0 | 0 | 0 | 0 | 110.6 | V271 M272 R277 E322 | V232-V271 HydrophobicContact CG1-CG1 4.13Å; V232-M272 HydrophobicContact CG1-CB 3.85Å; V232-M272 HydrophobicContact CG1-CE 4.18Å; V232-M272 HydrophobicContact CG1-CG 4.14Å; V232-R277 PolarHBondContact O-NE 3.06Å; V232-E322 WeakPolarHBondContact CA-O 2.95Å |
| 233 | V | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | 149.8 | -177.8 | 66.4 | 0 | 0 | 0 | 0 | 112 | F289 T294 W299 E322 | V233-F289 HydrophobicContact CB-CD2 3.45Å; V233-F289 VanDerWaalsContact CB-CD2 3.45Å; V233-F289 HydrophobicContact CB-CE2 3.51Å; V233-F289 HydrophobicContact CB-CG 4.06Å; V233-F289 HydrophobicContact CB-CZ 4.08Å; V233-F289 HydrophobicContact CG1-CD2 4Å; V233-F289 HydrophobicContact CG1-CE1 4.26Å; V233-F289 HydrophobicContact CG1-CE2 3.52Å; V233-F289 HydrophobicContact CG1-CZ 3.67Å; V233-F289 HydrophobicContact CG2-CB 4.13Å; V233-F289 HydrophobicContact CG2-CD1 3.93Å; V233-F289 HydrophobicContact CG2-CD2 3.54Å; V233-F289 HydrophobicContact CG2-CE1 4.26Å; V233-F289 HydrophobicContact CG2-CE2 3.96Å; V233-F289 HydrophobicContact CG2-CG 3.6Å; V233-F289 HydrophobicContact CG2-CZ 4.3Å; V233-T294 HydrophobicContact CG1-CG2 4.16Å; V233-T294 HydrophobicContact CG2-CG2 3.67Å; V233-W299 HydrophobicContact CG1-CH2 4.39Å; V233-W299 HydrophobicContact CG1-CZ3 4.18Å; V233-E322 HydrophobicContact CG1-CB 3.98Å; V233-E322 HydrophobicContact CG1-CG 4.04Å; V233-E322 PolarHBondContact N-O 3.06Å; V233-E322 VanDerWaalsContact N-O 3.15Å; V233-E322 WeakPolarHBondContact O-CB 3.45Å; V233-E322 PolarHBondContact O-N 2.99Å |
| 234 | A | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 103.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | A262 M272 G292 I293 T294 L321 | A234-A262 HydrophobicContact CB-CB 3.91Å; A234-M272 HydrophobicContact CB-SD 3.94Å; A234-M272 PolarHBondContact N-SD 2.9Å; A234-M272 VanDerWaalsContact N-SD 3.44Å; A234-G292 PolarHBondContact N-O 2.92Å; A234-I293 HydrophobicContact CB-CG2 4.22Å; A234-I293 CarbonylContact O-C 3.31Å; A234-I293 WeakPolarHBondContact O-CA 3.09Å; A234-T294 PolarHBondContact O-N 3.16Å; A234-L321 HydrophobicContact CB-CD2 3.77Å |
| 235 | N | 98.9 | Very high | 97.1 | Very high | 5 Ų | 5 | 19.4 Ų | 19.4 | 3% | 0.027 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 137.1 | 179.6 | 178.1 | 90.7 | 0 | 0 | 0 | 111.1 | D239 T294 G296 Q307 I319 T320 | N235-D239 PolarHBondContact ND2-OD1 3.22Å; N235-T294 CarbonylContact C-O 3.32Å; N235-T294 VanDerWaalsContact CA-O 3.28Å; N235-T294 WeakPolarHBondContact CA-O 2.92Å; N235-T294 HydrophobicContact CB-CG2 4.09Å; N235-G296 WeakPolarHBondContact OD1-CA 3.47Å; N235-G296 PolarHBondContact OD1-N 2.92Å; N235-Q307 PolarHBondContact ND2-NE2 3.12Å; N235-Q307 PolarHBondContact ND2-OE1 2.76Å; N235-Q307 PolarHBondContact O-OE1 3.21Å; N235-I319 WeakPolarHBondContact O-CB 3.09Å; N235-T320 WeakPolarHBondContact CA-O 3.44Å; N235-T320 HydrophobicContact CB-CG2 4.46Å; N235-T320 WeakPolarHBondContact CB-O 3.28Å; N235-T320 PolarHBondContact N-O 2.8Å; N235-T320 PolarHBondContact O-N 3.41Å |
| 236 | Y | 98.9 | Very high | 96.8 | Very high | 8 Ų | 8 | 22.4 Ų | 22.4 | 3% | 0.031 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 159.6 | -179 | 60.5 | -92.2 | 0 | 0 | 0 | 113.4 | Y249 F258 K259 A262 I293 T294 N295 G296 | Y236-Y249 PolarHBondContact OH-OH 3.41Å; Y236-F258 HydrophobicContact CD2-CB 3.91Å; Y236-F258 HydrophobicContact CG-CB 4.18Å; Y236-K259 HydrophobicContact CE1-CG 4.19Å; Y236-K259 HydrophobicContact CE2-CG 3.92Å; Y236-K259 VanDerWaalsContact OH-CE 3.22Å; Y236-K259 WeakPolarHBondContact OH-CE 3.35Å; Y236-A262 HydrophobicContact CD1-CB 3.78Å; Y236-A262 HydrophobicContact CE1-CB 4.49Å; Y236-I293 HydrophobicContact CD1-CB 4.42Å; Y236-I293 HydrophobicContact CE1-CB 4.04Å; Y236-I293 HydrophobicContact CE1-CD1 3.73Å; Y236-I293 HydrophobicContact CE1-CG1 4Å; Y236-T294 WeakPolarHBondContact CD1-O 3.46Å; Y236-T294 WeakPolarHBondContact CE1-O 3.37Å; Y236-T294 PolarHBondContact N-O 3.06Å; Y236-N295 HydrophobicContact CD2-CB 4.41Å; Y236-N295 HydrophobicContact CE2-CB 3.77Å; Y236-N295 WeakPolarHBondContact O-CA 3.22Å; Y236-G296 PolarHBondContact O-N 3.43Å |
| 237 | P | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -56.7 | 156.5 | -176.8 | -31 | 36.8 | 0 | 0 | 0 | 116.1 | F258 N295 Q307 D308 | P237-F258 HydrophobicContact CB-CE2 4.26Å; P237-F258 HydrophobicContact CB-CZ 4.37Å; P237-F258 HydrophobicContact CG-CD1 4.22Å; P237-F258 HydrophobicContact CG-CE1 3.8Å; P237-F258 HydrophobicContact CG-CE2 4.1Å; P237-F258 HydrophobicContact CG-CZ 3.73Å; P237-N295 VanDerWaalsContact C-ND2 3.27Å; P237-N295 PolarHBondContact O-ND2 3.45Å; P237-Q307 HydrophobicContact CG-CG 3.91Å; P237-D308 WeakPolarHBondContact CB-OD1 3.03Å |
| 238 | Y | 98.7 | Very high | 96.5 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | cis | -82.2 | 146.8 | -11.7 | -66.3 | -65.8 | 0 | 0 | 0 | 111.9 | D175 V178 Y179 S250 S252 N295 G296 G297 D308 Y311 L312 | D175-Y238 WeakPolarHBondContact OD1-CD1 3.4Å; V178-Y238 HydrophobicContact CG1-CE2 4.49Å; Y179-Y238 AromaticContact CE1-CD2 3.88Å; Y179-Y238 HydrophobicContact CE1-CD2 3.88Å; Y179-Y238 HydrophobicContact CE1-CE2 4.03Å; Y179-Y238 HydrophobicContact CE1-CG 4.29Å; Y179-Y238 WeakPolarHBondContact OH-CB 3.26Å; Y238-S250 WeakPolarHBondContact CB-O 3.39Å; Y238-S250 PolarHBondContact N-O 3.19Å; Y238-S252 VanDerWaalsContact CE2-CA 3.41Å; Y238-N295 PolarHBondContact N-ND2 3.16Å; Y238-N295 VanDerWaalsContact N-ND2 3.16Å; Y238-N295 PolarHBondContact O-ND2 3.34Å; Y238-N295 VanDerWaalsContact O-ND2 3.07Å; Y238-G296 PolarHBondContact O-N 3.46Å; Y238-G297 PolarHBondContact O-N 3.41Å; Y238-D308 WeakPolarHBondContact CA-OD2 3.2Å; Y238-D308 HydrophobicContact CD1-CB 4.28Å; Y238-Y311 AromaticContact CE1-CD1 3.75Å; Y238-Y311 HydrophobicContact CE1-CD1 3.75Å; Y238-Y311 HydrophobicContact CE1-CE1 4.07Å; Y238-Y311 AromaticContact CZ-CE1 3.92Å; Y238-Y311 WeakPolarHBondContact OH-CE1 3.32Å; Y238-L312 HydrophobicContact CE1-CD1 4Å; Y238-L312 HydrophobicContact CE1-CD2 3.89Å; Y238-L312 HydrophobicContact CE1-CG 4.04Å; Y238-L312 WeakPolarHBondContact OH-CD2 3.34Å | ||
| 239 | D | 98.4 | Very high | 96.4 | Very high | 6 Ų | 6 | 35.8 Ų | 35.8 | 3% | 0.032 | 19% | 0.187 | C | C | . | . | trans | -78.2 | -39.1 | 171.8 | -88.1 | -4.9 | 0 | 0 | 0 | 112 | N235 G296 G297 S301 V302 Q307 D308 | N235-D239 PolarHBondContact ND2-OD1 3.22Å; D239-G296 WeakPolarHBondContact OD1-CA 3.38Å; D239-G297 WeakPolarHBondContact O-CA 3.29Å; D239-G297 PolarHBondContact O-N 3.24Å; D239-S301 CarbonylContact O-C 3.58Å; D239-S301 WeakPolarHBondContact O-CA 3.22Å; D239-V302 HydrophobicContact CB-CB 4Å; D239-V302 HydrophobicContact CB-CG1 4.43Å; D239-V302 PolarHBondContact O-N 3.1Å; D239-Q307 PolarHBondContact OD1-NE2 3.09Å; D239-Q307 PolarHBondContact OD2-NE2 3.48Å; D239-D308 WeakPolarHBondContact CA-OD2 3.4Å; D239-D308 WeakPolarHBondContact CB-OD2 3.44Å; D239-D308 PolarHBondContact N-OD1 3.48Å; D239-D308 PolarHBondContact N-OD2 2.9Å | ||
| 240 | E | 97.9 | Very high | 96.4 | Very high | 12 Ų | 12 | 35.7 Ų | 35.7 | 6% | 0.056 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -82.1 | 142.7 | 176.7 | -151.6 | -167.4 | -174.4 | 0 | 0 | 111.6 | D175 R176 Y179 S250 P303 | D175-E240 HydrophobicContact CB-CB 3.84Å; D175-E240 WeakPolarHBondContact CB-OE2 3.5Å; R176-E240 WeakPolarHBondContact CG-OE2 3.39Å; R176-E240 VanDerWaalsContact CZ-CD 3.48Å; R176-E240 IonicContact CZ-OE1 3.06Å; R176-E240 IonicContact CZ-OE2 3.14Å; R176-E240 IonicContact NE-OE1 3.65Å; R176-E240 PolarHBondContact NE-OE1 2.88Å; R176-E240 IonicContact NE-OE2 2.87Å; R176-E240 PolarHBondContact NE-OE2 3.09Å; R176-E240 IonicContact NH2-OE1 3.61Å; R176-E240 PolarHBondContact NH2-OE1 2.87Å; R176-E240 IonicContact NH2-OE2 3.87Å; R176-E240 PolarHBondContact NH2-OE2 3.32Å; Y179-E240 PolarHBondContact OH-O 3.17Å; E240-S250 WeakPolarHBondContact O-CB 3.38Å; E240-S250 PolarHBondContact O-OG 2.83Å; E240-P303 HydrophobicContact CG-CB 4Å |
| 241 | T | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -84.8 | 142.9 | 174.9 | 64.1 | 0 | 0 | 0 | 0 | 112.6 | R176 S243 E244 S245 E248 S250 G297 S301 | R176-T241 PolarHBondContact NH1-O 3.05Å; R176-T241 PolarHBondContact NH2-O 2.7Å; T241-S243 PolarHBondContact O-N 2.82Å; T241-E244 PolarHBondContact O-N 3.18Å; T241-E244 WeakPolarHBondContact OG1-CA 3.28Å; T241-E244 PolarHBondContact OG1-N 2.72Å; T241-S245 WeakPolarHBondContact CB-O 3.37Å; T241-S245 VanDerWaalsContact CG2-O 3.25Å; T241-S245 WeakPolarHBondContact CG2-O 3.4Å; T241-S245 PolarHBondContact OG1-N 3.05Å; T241-S245 VanDerWaalsContact OG1-N 3.16Å; T241-S245 PolarHBondContact OG1-O 3.43Å; T241-E248 HydrophobicContact CG2-CB 3.86Å; T241-S250 WeakPolarHBondContact CA-OG 3.43Å; T241-G297 WeakPolarHBondContact CG2-O 3.29Å; T241-S301 PolarHBondContact N-OG 3.25Å; T241-S301 PolarHBondContact OG1-OG 2.79Å | ||
| 242 | R | 95.6 | Very high | 96.6 | Very high | 77 Ų | 77 | 37.1 Ų | 37.1 | 29% | 0.291 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -41.3 | 178.7 | -63.4 | 178.7 | 173.4 | -78.6 | 7.3 | 112.3 | R176 Y179 E182 A251 | R176-R242 PolarHBondContact NH1-O 3.38Å; Y179-R242 HydrophobicContact CD1-CG 4.35Å; Y179-R242 HydrophobicContact CD2-CB 4.4Å; Y179-R242 HydrophobicContact CD2-CG 4.06Å; Y179-R242 HydrophobicContact CE1-CG 4.2Å; Y179-R242 HydrophobicContact CE2-CB 4.39Å; Y179-R242 HydrophobicContact CE2-CG 3.87Å; Y179-R242 HydrophobicContact CG-CG 4.31Å; E182-R242 IonicContact OE1-CZ 2.9Å; E182-R242 IonicContact OE1-NH1 3.52Å; E182-R242 IonicContact OE1-NH2 2.92Å; E182-R242 PolarHBondContact OE1-NH2 3.14Å; E182-R242 IonicContact OE2-CZ 3.61Å; E182-R242 IonicContact OE2-NH1 3.86Å; E182-R242 PolarHBondContact OE2-NH1 3.33Å; E182-R242 IonicContact OE2-NH2 2.72Å; E182-R242 PolarHBondContact OE2-NH2 2.91Å; R242-A251 PolarHBondContact NH2-O 3.06Å |
| 243 | S | 92.9 | Very high | 96.7 | Very high | 73 Ų | 73 | 38.5 Ų | 38.5 | 51% | 0.51 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 6 | -177.2 | 69.4 | 0 | 0 | 0 | 0 | 115.2 | T241 S245 E248 | T241-S243 PolarHBondContact O-N 2.82Å; S243-S245 PolarHBondContact O-N 3.31Å; S243-S245 VanDerWaalsContact OG-CB 3.32Å; S243-S245 WeakPolarHBondContact OG-CB 3.29Å; S243-S245 PolarHBondContact OG-N 3.33Å; S243-S245 PolarHBondContact OG-OG 2.94Å; S243-E248 WeakPolarHBondContact CB-OE2 3.32Å; S243-E248 PolarHBondContact N-OE2 3.24Å; S243-E248 PolarHBondContact OG-OE2 3.26Å |
| 244 | E | 88.7 | Confident | 96.7 | Very high | 156 Ų | 156 | 38.7 Ų | 38.7 | 73% | 0.729 | 21% | 0.208 | S | C | * | . | S | Bend | trans | 61.9 | 12.4 | -170.4 | -55 | 174 | -167.2 | 0 | 0 | 113.4 | T241 | T241-E244 PolarHBondContact O-N 3.18Å; T241-E244 WeakPolarHBondContact OG1-CA 3.28Å; T241-E244 PolarHBondContact OG1-N 2.72Å |
| 245 | S | 93.6 | Very high | 96.7 | Very high | 38 Ų | 38 | 39.8 Ų | 39.8 | 27% | 0.266 | 21% | 0.213 | S | C | . | . | trans | -69.7 | 155.2 | 173.6 | 72.3 | 0 | 0 | 0 | 0 | 110.9 | T241 S243 H247 E248 | T241-S245 WeakPolarHBondContact CB-O 3.37Å; T241-S245 VanDerWaalsContact CG2-O 3.25Å; T241-S245 WeakPolarHBondContact CG2-O 3.4Å; T241-S245 PolarHBondContact OG1-N 3.05Å; T241-S245 VanDerWaalsContact OG1-N 3.16Å; T241-S245 PolarHBondContact OG1-O 3.43Å; S243-S245 PolarHBondContact O-N 3.31Å; S243-S245 VanDerWaalsContact OG-CB 3.32Å; S243-S245 WeakPolarHBondContact OG-CB 3.29Å; S243-S245 PolarHBondContact OG-N 3.33Å; S243-S245 PolarHBondContact OG-OG 2.94Å; S245-H247 PolarHBondContact O-N 3.06Å; S245-H247 PolarHBondContact OG-O 3.23Å; S245-E248 WeakPolarHBondContact OG-CB 3.35Å | ||
| 246 | A | 92.8 | Very high | 96.7 | Very high | 64 Ų | 64 | 44.4 Ų | 44.4 | 53% | 0.529 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -66.5 | -30 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y300 S301 | A246-Y300 CarbonylContact O-C 3.45Å; A246-Y300 VanDerWaalsContact O-CA 3.26Å; A246-Y300 WeakPolarHBondContact O-CA 3.38Å; A246-S301 PolarHBondContact O-N 3.29Å |
| 247 | H | 95.1 | Very high | 96.7 | Very high | 130 Ų | 130 | 44.2 Ų | 44.2 | 60% | 0.602 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -142 | 110.8 | -175.1 | -55.1 | -80.1 | 0 | 0 | 0 | 110.3 | S245 G297 W299 | S245-H247 PolarHBondContact O-N 3.06Å; S245-H247 PolarHBondContact OG-O 3.23Å; H247-G297 CarbonylContact C-O 3.57Å; H247-G297 WeakPolarHBondContact CA-O 3.28Å; H247-W299 PolarHBondContact CE1-O 2.95Å; H247-W299 PolarHBondContact ND1-O 3.04Å |
| 248 | E | 96.1 | Very high | 96.7 | Very high | 60 Ų | 60 | 44.2 Ų | 44.2 | 28% | 0.28 | 24% | 0.241 | S | C | . | . | trans | -158.4 | 129.7 | 176.2 | 170.2 | -175.1 | -162.1 | 0 | 0 | 110.5 | T241 S243 S245 S250 G297 A298 | T241-E248 HydrophobicContact CG2-CB 3.86Å; S243-E248 WeakPolarHBondContact CB-OE2 3.32Å; S243-E248 PolarHBondContact N-OE2 3.24Å; S243-E248 PolarHBondContact OG-OE2 3.26Å; S245-E248 WeakPolarHBondContact OG-CB 3.35Å; E248-S250 PolarHBondContact O-N 3.22Å; E248-S250 PolarHBondContact O-OG 2.84Å; E248-G297 PolarHBondContact N-O 3.1Å; E248-G297 CarbonylContact O-C 3.53Å; E248-G297 WeakPolarHBondContact O-CA 3.48Å; E248-A298 PolarHBondContact O-N 3.09Å; E248-A298 VanDerWaalsContact O-N 3.14Å | ||
| 249 | Y | 97.4 | Very high | 96.7 | Very high | 96 Ų | 96 | 46.8 Ų | 46.8 | 38% | 0.376 | 25% | 0.252 | S | S | . | . | trans | -60.5 | 112.5 | 173.2 | -165.6 | -82.2 | 0 | 0 | 0 | 111.2 | Y236 A251 D255 K259 N295 A298 | Y236-Y249 PolarHBondContact OH-OH 3.41Å; Y249-A251 HydrophobicContact CD1-CB 4.2Å; Y249-A251 HydrophobicContact CE1-CB 3.76Å; Y249-D255 VanDerWaalsContact OH-CG 3.29Å; Y249-D255 PolarHBondContact OH-OD1 3.27Å; Y249-D255 PolarHBondContact OH-OD2 3.17Å; Y249-K259 WeakPolarHBondContact OH-CE 3.42Å; Y249-K259 PolarHBondContact OH-NZ 3.06Å; Y249-N295 WeakPolarHBondContact CA-OD1 3.45Å; Y249-N295 HydrophobicContact CD2-CB 3.73Å; Y249-N295 HydrophobicContact CE2-CB 3.4Å; Y249-N295 HydrophobicContact CG-CB 4.49Å; Y249-A298 HydrophobicContact CD2-CB 3.95Å | ||
| 250 | S | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -115.8 | 81.2 | -173.1 | -62.9 | 0 | 0 | 0 | 0 | 109.8 | Y238 E240 T241 E248 N295 | Y238-S250 WeakPolarHBondContact CB-O 3.39Å; Y238-S250 PolarHBondContact N-O 3.19Å; E240-S250 WeakPolarHBondContact O-CB 3.38Å; E240-S250 PolarHBondContact O-OG 2.83Å; T241-S250 WeakPolarHBondContact CA-OG 3.43Å; E248-S250 PolarHBondContact O-N 3.22Å; E248-S250 PolarHBondContact O-OG 2.84Å; S250-N295 PolarHBondContact N-OD1 2.99Å; S250-N295 PolarHBondContact O-ND2 2.97Å; S250-N295 VanDerWaalsContact O-ND2 3.1Å | ||
| 251 | A | 97.9 | Very high | 96.7 | Very high | 39 Ų | 39 | 47 Ų | 47 | 32% | 0.322 | 26% | 0.256 | S | S | . | . | trans | -63 | 135.9 | -177 | 0 | 0 | 0 | 0 | 0 | 111.8 | R242 Y249 D255 | R242-A251 PolarHBondContact NH2-O 3.06Å; Y249-A251 HydrophobicContact CD1-CB 4.2Å; Y249-A251 HydrophobicContact CE1-CB 3.76Å; A251-D255 HydrophobicContact CB-CB 4.33Å | ||
| 252 | S | 98.4 | Very high | 96.8 | Very high | 7 Ų | 7 | 47 Ų | 47 | 5% | 0.049 | 26% | 0.256 | C | S | . | . | trans | -87.2 | 162.3 | 163.7 | 69.1 | 0 | 0 | 0 | 0 | 111.6 | Y238 D254 D255 F258 | Y238-S252 VanDerWaalsContact CE2-CA 3.41Å; S252-D254 PolarHBondContact O-N 3.42Å; S252-D255 VanDerWaalsContact O-CB 3.26Å; S252-D255 WeakPolarHBondContact O-CB 3.36Å; S252-D255 PolarHBondContact O-N 2.86Å; S252-D255 VanDerWaalsContact O-N 3.07Å; S252-D255 PolarHBondContact OG-N 2.72Å; S252-F258 VanDerWaalsContact OG-CD2 3.29Å; S252-F258 WeakPolarHBondContact OG-CD2 3.45Å | ||
| 253 | P | 98.6 | Very high | 97 | Very high | 36 Ų | 36 | 47.8 Ų | 47.8 | 23% | 0.234 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -32.6 | 173.5 | -27.7 | 36.4 | 0 | 0 | 0 | 113.3 | I378 D379 H380 | P253-I378 HydrophobicContact CB-CG2 3.98Å; P253-D379 VanDerWaalsContact CG-O 3.22Å; P253-D379 WeakPolarHBondContact CG-O 3.29Å; P253-H380 HydrophobicContact CB-CB 3.88Å; P253-H380 HydrophobicContact CG-CB 4.1Å |
| 254 | D | 98.8 | Very high | 97.2 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 22.5 | 177.5 | -72.2 | -77.7 | 0 | 0 | 0 | 114.2 | S252 V256 M257 F258 Y311 F317 H380 R392 | S252-D254 PolarHBondContact O-N 3.42Å; D254-V256 PolarHBondContact O-N 2.83Å; D254-V256 VanDerWaalsContact O-N 3.08Å; D254-M257 HydrophobicContact CB-CB 4.36Å; D254-M257 WeakPolarHBondContact O-CA 3.46Å; D254-M257 WeakPolarHBondContact O-CB 3.36Å; D254-M257 PolarHBondContact O-N 2.76Å; D254-F258 HydrophobicContact CB-CD2 4Å; D254-F258 HydrophobicContact CB-CE2 4.05Å; D254-F258 PolarHBondContact O-N 3.34Å; D254-Y311 HydrophobicContact CB-CE2 4.23Å; D254-Y311 WeakPolarHBondContact CB-OH 3.05Å; D254-Y311 PolarHBondContact N-OH 2.94Å; D254-Y311 PolarHBondContact OD2-OH 3.44Å; D254-F317 HydrophobicContact CB-CE2 3.68Å; D254-F317 HydrophobicContact CB-CZ 4.02Å; D254-F317 WeakPolarHBondContact OD2-CZ 3.42Å; D254-H380 IonicContact OD2-CD2 3.81Å; D254-H380 PolarHBondContact OD2-CD2 2.82Å; D254-H380 VanDerWaalsContact OD2-CD2 3.31Å; D254-H380 IonicContact OD2-CG 3.95Å; D254-R392 IonicContact OD1-CZ 2.78Å; D254-R392 IonicContact OD1-NH2 2.72Å; D254-R392 PolarHBondContact OD1-NH2 2.76Å; D254-R392 IonicContact OD2-CZ 3.16Å; D254-R392 IonicContact OD2-NH1 2.79Å; D254-R392 IonicContact OD2-NH2 3.64Å; D254-R392 PolarHBondContact OD2-NH2 2.88Å |
| 255 | D | 98.8 | Very high | 97.7 | Very high | 23 Ų | 23 | 37.1 Ų | 37.1 | 12% | 0.123 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -48.9 | -40.1 | -177.1 | -178.1 | 78.7 | 0 | 0 | 0 | 114.1 | Y249 A251 S252 M257 F258 K259 | Y249-D255 VanDerWaalsContact OH-CG 3.29Å; Y249-D255 PolarHBondContact OH-OD1 3.27Å; Y249-D255 PolarHBondContact OH-OD2 3.17Å; A251-D255 HydrophobicContact CB-CB 4.33Å; S252-D255 VanDerWaalsContact O-CB 3.26Å; S252-D255 WeakPolarHBondContact O-CB 3.36Å; S252-D255 PolarHBondContact O-N 2.86Å; S252-D255 VanDerWaalsContact O-N 3.07Å; S252-D255 PolarHBondContact OG-N 2.72Å; D255-M257 PolarHBondContact O-N 3.17Å; D255-F258 PolarHBondContact O-N 2.99Å; D255-K259 WeakPolarHBondContact O-CB 3.18Å; D255-K259 WeakPolarHBondContact O-CG 3.15Å; D255-K259 PolarHBondContact O-N 3.06Å; D255-K259 IonicContact OD1-NZ 3.18Å; D255-K259 WeakPolarHBondContact OD2-CE 3.32Å; D255-K259 IonicContact OD2-NZ 3.95Å; D255-K259 PolarHBondContact OD2-NZ 2.69Å |
| 256 | V | 98.5 | Very high | 97.9 | Very high | 103 Ų | 103 | 35.3 Ų | 35.3 | 62% | 0.624 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -63.7 | -41.8 | 176.7 | 177.1 | 0 | 0 | 0 | 0 | 111.3 | D254 S260 A395 | D254-V256 PolarHBondContact O-N 2.83Å; D254-V256 VanDerWaalsContact O-N 3.08Å; V256-S260 PolarHBondContact O-N 3.11Å; V256-S260 VanDerWaalsContact O-N 3.17Å; V256-A395 HydrophobicContact CG1-CB 3.84Å |
| 257 | M | 98.6 | Very high | 98.2 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.02 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.8 | -44.8 | 178.5 | -171.4 | 61.5 | -140.2 | 0 | 0 | 110.6 | D254 D255 K259 S260 L261 F317 L393 A395 | D254-M257 HydrophobicContact CB-CB 4.36Å; D254-M257 WeakPolarHBondContact O-CA 3.46Å; D254-M257 WeakPolarHBondContact O-CB 3.36Å; D254-M257 PolarHBondContact O-N 2.76Å; D255-M257 PolarHBondContact O-N 3.17Å; M257-K259 PolarHBondContact O-N 2.94Å; M257-S260 CarbonylContact O-C 3.46Å; M257-S260 WeakPolarHBondContact O-CA 3.44Å; M257-S260 VanDerWaalsContact O-CB 3.32Å; M257-S260 WeakPolarHBondContact O-CB 3.15Å; M257-S260 PolarHBondContact O-N 2.84Å; M257-L261 HydrophobicContact CE-CD1 4.22Å; M257-L261 HydrophobicContact CE-CD2 3.5Å; M257-L261 VanDerWaalsContact CE-CD2 3.5Å; M257-L261 HydrophobicContact CE-CG 3.57Å; M257-L261 HydrophobicContact CG-CD1 4.3Å; M257-L261 HydrophobicContact CG-CG 4.46Å; M257-L261 WeakPolarHBondContact O-CG 3.2Å; M257-L261 PolarHBondContact O-N 3.18Å; M257-F317 HydrophobicContact CG-CE2 4.31Å; M257-L393 HydrophobicContact CG-CB 4.11Å; M257-A395 HydrophobicContact SD-CB 4.42Å; M257-A395 PolarHBondContact SD-N 3.07Å |
| 258 | F | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.7 | -43.2 | 177 | -84.2 | -62.6 | 0 | 0 | 0 | 113 | Y236 P237 S252 D254 D255 S260 L261 A262 Y311 F317 I319 | Y236-F258 HydrophobicContact CD2-CB 3.91Å; Y236-F258 HydrophobicContact CG-CB 4.18Å; P237-F258 HydrophobicContact CB-CE2 4.26Å; P237-F258 HydrophobicContact CB-CZ 4.37Å; P237-F258 HydrophobicContact CG-CD1 4.22Å; P237-F258 HydrophobicContact CG-CE1 3.8Å; P237-F258 HydrophobicContact CG-CE2 4.1Å; P237-F258 HydrophobicContact CG-CZ 3.73Å; S252-F258 VanDerWaalsContact OG-CD2 3.29Å; S252-F258 WeakPolarHBondContact OG-CD2 3.45Å; D254-F258 HydrophobicContact CB-CD2 4Å; D254-F258 HydrophobicContact CB-CE2 4.05Å; D254-F258 PolarHBondContact O-N 3.34Å; D255-F258 PolarHBondContact O-N 2.99Å; F258-S260 VanDerWaalsContact C-N 3.26Å; F258-S260 PolarHBondContact O-N 2.95Å; F258-L261 HydrophobicContact CD1-CD1 4.32Å; F258-L261 PolarHBondContact O-N 3.14Å; F258-A262 WeakPolarHBondContact O-CB 3.34Å; F258-A262 PolarHBondContact O-N 2.63Å; F258-Y311 AromaticContact CE2-CD2 3.75Å; F258-Y311 HydrophobicContact CE2-CD2 3.75Å; F258-Y311 HydrophobicContact CE2-CE1 4.39Å; F258-Y311 AromaticContact CE2-CE2 3.59Å; F258-Y311 HydrophobicContact CE2-CE2 3.59Å; F258-Y311 HydrophobicContact CE2-CG 4.2Å; F258-Y311 AromaticContact CE2-CZ 3.95Å; F258-Y311 AromaticContact CZ-CD2 3.58Å; F258-Y311 HydrophobicContact CZ-CD2 3.58Å; F258-Y311 AromaticContact CZ-CE2 3.9Å; F258-Y311 HydrophobicContact CZ-CE2 3.9Å; F258-Y311 HydrophobicContact CZ-CG 4.03Å; F258-F317 HydrophobicContact CE1-CB 3.87Å; F258-F317 HydrophobicContact CE1-CD2 4.08Å; F258-F317 HydrophobicContact CE1-CG 4.19Å; F258-F317 HydrophobicContact CE2-CD2 4.17Å; F258-F317 HydrophobicContact CE2-CE2 4.42Å; F258-F317 HydrophobicContact CZ-CB 4.01Å; F258-F317 AromaticContact CZ-CD2 3.82Å; F258-F317 HydrophobicContact CZ-CD2 3.82Å; F258-F317 HydrophobicContact CZ-CE2 4.47Å; F258-F317 AromaticContact CZ-CG 3.9Å; F258-F317 HydrophobicContact CZ-CG 3.9Å; F258-I319 HydrophobicContact CD1-CG2 3.91Å; F258-I319 HydrophobicContact CE1-CG2 4.31Å |
| 259 | K | 98.8 | Very high | 98.4 | Very high | 54 Ų | 54 | 33.4 Ų | 33.4 | 24% | 0.235 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.8 | -37.8 | 170.5 | -79.3 | 171.9 | 172.7 | 152.4 | 0 | 112.7 | Y236 Y249 D255 M257 R263 I293 | Y236-K259 HydrophobicContact CE1-CG 4.19Å; Y236-K259 HydrophobicContact CE2-CG 3.92Å; Y236-K259 VanDerWaalsContact OH-CE 3.22Å; Y236-K259 WeakPolarHBondContact OH-CE 3.35Å; Y249-K259 WeakPolarHBondContact OH-CE 3.42Å; Y249-K259 PolarHBondContact OH-NZ 3.06Å; D255-K259 WeakPolarHBondContact O-CB 3.18Å; D255-K259 WeakPolarHBondContact O-CG 3.15Å; D255-K259 PolarHBondContact O-N 3.06Å; D255-K259 IonicContact OD1-NZ 3.18Å; D255-K259 WeakPolarHBondContact OD2-CE 3.32Å; D255-K259 IonicContact OD2-NZ 3.95Å; D255-K259 PolarHBondContact OD2-NZ 2.69Å; M257-K259 PolarHBondContact O-N 2.94Å; K259-R263 WeakPolarHBondContact O-CB 3.34Å; K259-R263 VanDerWaalsContact O-CG 3.32Å; K259-R263 WeakPolarHBondContact O-CG 3.23Å; K259-R263 PolarHBondContact O-N 3.26Å; K259-R263 VanDerWaalsContact O-N 3.14Å; K259-I293 HydrophobicContact CB-CD1 4.18Å; K259-I293 HydrophobicContact CG-CD1 4.01Å |
| 260 | S | 98.6 | Very high | 98.4 | Very high | 24 Ų | 24 | 32.7 Ų | 32.7 | 17% | 0.168 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.6 | -39.7 | 176.3 | -175 | 0 | 0 | 0 | 0 | 111.8 | V256 M257 F258 A264 R354 | V256-S260 PolarHBondContact O-N 3.11Å; V256-S260 VanDerWaalsContact O-N 3.17Å; M257-S260 CarbonylContact O-C 3.46Å; M257-S260 WeakPolarHBondContact O-CA 3.44Å; M257-S260 VanDerWaalsContact O-CB 3.32Å; M257-S260 WeakPolarHBondContact O-CB 3.15Å; M257-S260 PolarHBondContact O-N 2.84Å; F258-S260 VanDerWaalsContact C-N 3.26Å; F258-S260 PolarHBondContact O-N 2.95Å; S260-A264 PolarHBondContact O-N 3.42Å; S260-R354 PolarHBondContact OG-NH1 3.03Å; S260-R354 PolarHBondContact OG-NH2 3.29Å |
| 261 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.5 | -48 | 177 | -68.9 | 171.8 | 0 | 0 | 0 | 111.3 | L223 M257 F258 R263 A264 Y265 F317 Y348 Q351 L393 | L223-L261 HydrophobicContact CD1-CD1 3.7Å; L223-L261 HydrophobicContact CD1-CD2 3.88Å; L223-L261 HydrophobicContact CD1-CG 4.36Å; L223-L261 HydrophobicContact CD2-CD2 4.24Å; M257-L261 HydrophobicContact CE-CD1 4.22Å; M257-L261 HydrophobicContact CE-CD2 3.5Å; M257-L261 VanDerWaalsContact CE-CD2 3.5Å; M257-L261 HydrophobicContact CE-CG 3.57Å; M257-L261 HydrophobicContact CG-CD1 4.3Å; M257-L261 HydrophobicContact CG-CG 4.46Å; M257-L261 WeakPolarHBondContact O-CG 3.2Å; M257-L261 PolarHBondContact O-N 3.18Å; F258-L261 HydrophobicContact CD1-CD1 4.32Å; F258-L261 PolarHBondContact O-N 3.14Å; L261-R263 VanDerWaalsContact C-N 3.3Å; L261-R263 PolarHBondContact O-N 3.5Å; L261-A264 VanDerWaalsContact O-CB 3.32Å; L261-A264 WeakPolarHBondContact O-CB 3.35Å; L261-A264 PolarHBondContact O-N 2.91Å; L261-Y265 PolarHBondContact O-N 2.89Å; L261-F317 HydrophobicContact CD1-CB 4.29Å; L261-F317 HydrophobicContact CD1-CD2 4.19Å; L261-Y348 HydrophobicContact CB-CE2 4.11Å; L261-Y348 WeakPolarHBondContact O-CE2 3.41Å; L261-Q351 HydrophobicContact CD2-CB 3.69Å; L261-Q351 HydrophobicContact CD2-CG 4.33Å; L261-L393 HydrophobicContact CD1-CD1 4.25Å |
| 262 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59 | -42.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A234 Y236 F258 A264 Y265 S266 I293 | A234-A262 HydrophobicContact CB-CB 3.91Å; Y236-A262 HydrophobicContact CD1-CB 3.78Å; Y236-A262 HydrophobicContact CE1-CB 4.49Å; F258-A262 WeakPolarHBondContact O-CB 3.34Å; F258-A262 PolarHBondContact O-N 2.63Å; A262-A264 VanDerWaalsContact C-N 3.32Å; A262-A264 PolarHBondContact O-N 3.47Å; A262-Y265 PolarHBondContact O-N 3.05Å; A262-S266 PolarHBondContact O-N 2.69Å; A262-I293 HydrophobicContact CB-CB 3.87Å; A262-I293 HydrophobicContact CB-CD1 4.46Å; A262-I293 HydrophobicContact CB-CG2 3.56Å |
| 263 | R | 98.7 | Very high | 98.3 | Very high | 92 Ų | 92 | 34.5 Ų | 34.5 | 35% | 0.347 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -66.1 | -32 | 174.5 | -74.4 | -174.6 | -173.3 | 105.2 | -2.3 | 113.5 | K259 L261 Y265 S266 M267 D291 I293 | K259-R263 WeakPolarHBondContact O-CB 3.34Å; K259-R263 VanDerWaalsContact O-CG 3.32Å; K259-R263 WeakPolarHBondContact O-CG 3.23Å; K259-R263 PolarHBondContact O-N 3.26Å; K259-R263 VanDerWaalsContact O-N 3.14Å; L261-R263 VanDerWaalsContact C-N 3.3Å; L261-R263 PolarHBondContact O-N 3.5Å; R263-Y265 PolarHBondContact O-N 2.84Å; R263-S266 WeakPolarHBondContact CA-OG 3.37Å; R263-S266 PolarHBondContact O-N 2.84Å; R263-M267 HydrophobicContact CB-CG 4.23Å; R263-M267 WeakPolarHBondContact O-CB 3.23Å; R263-M267 VanDerWaalsContact O-CG 3.24Å; R263-M267 WeakPolarHBondContact O-CG 3.2Å; R263-M267 PolarHBondContact O-N 3.1Å; R263-D291 IonicContact CZ-OD2 3.1Å; R263-D291 IonicContact NE-OD2 3.81Å; R263-D291 PolarHBondContact NE-OD2 3.07Å; R263-D291 IonicContact NH2-OD2 3.95Å; R263-D291 PolarHBondContact NH2-OD2 3.28Å; R263-I293 HydrophobicContact CG-CD1 4.07Å; R263-I293 HydrophobicContact CG-CG2 3.98Å |
| 264 | A | 98.4 | Very high | 98.1 | Very high | 6 Ų | 6 | 36 Ų | 36 | 5% | 0.05 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.8 | -32 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S260 L261 A262 N347 Q351 | S260-A264 PolarHBondContact O-N 3.42Å; L261-A264 VanDerWaalsContact O-CB 3.32Å; L261-A264 WeakPolarHBondContact O-CB 3.35Å; L261-A264 PolarHBondContact O-N 2.91Å; A262-A264 VanDerWaalsContact C-N 3.32Å; A262-A264 PolarHBondContact O-N 3.47Å; A264-N347 PolarHBondContact O-ND2 2.92Å; A264-Q351 HydrophobicContact CB-CG 3.56Å |
| 265 | Y | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -80.7 | -55.8 | 169.6 | -161.7 | -80.7 | 0 | 0 | 0 | 111.7 | L261 A262 R263 M267 F268 N269 M272 L321 L323 N341 S344 L345 Y348 | L261-Y265 PolarHBondContact O-N 2.89Å; A262-Y265 PolarHBondContact O-N 3.05Å; R263-Y265 PolarHBondContact O-N 2.84Å; Y265-M267 VanDerWaalsContact C-N 3.3Å; Y265-M267 PolarHBondContact O-N 3.4Å; Y265-F268 PolarHBondContact O-N 3.38Å; Y265-F268 VanDerWaalsContact O-N 3.17Å; Y265-N269 PolarHBondContact O-N 2.99Å; Y265-M272 HydrophobicContact CD1-CE 4.17Å; Y265-M272 HydrophobicContact CD1-SD 4.12Å; Y265-M272 HydrophobicContact CE1-CE 4.13Å; Y265-L321 HydrophobicContact CD1-CD1 4.34Å; Y265-L321 HydrophobicContact CD1-CD2 3.69Å; Y265-L321 HydrophobicContact CD2-CD1 3.49Å; Y265-L321 VanDerWaalsContact CD2-CD1 3.49Å; Y265-L321 HydrophobicContact CD2-CD2 4.02Å; Y265-L321 HydrophobicContact CD2-CG 4.41Å; Y265-L321 HydrophobicContact CE1-CD1 4.27Å; Y265-L321 HydrophobicContact CE1-CD2 4.2Å; Y265-L321 HydrophobicContact CE2-CD1 3.42Å; Y265-L321 VanDerWaalsContact CE2-CD1 3.42Å; Y265-L321 HydrophobicContact CE2-CD2 4.49Å; Y265-L321 HydrophobicContact CG-CD1 3.97Å; Y265-L321 HydrophobicContact CG-CD2 3.58Å; Y265-L321 HydrophobicContact CG-CG 4.43Å; Y265-L323 HydrophobicContact CE1-CD2 3.96Å; Y265-N341 PolarHBondContact OH-OD1 3.31Å; Y265-S344 PolarHBondContact O-OG 2.81Å; Y265-L345 HydrophobicContact CE2-CD2 3.92Å; Y265-L345 HydrophobicContact CE2-CG 4.12Å; Y265-Y348 HydrophobicContact CD2-CD2 4.46Å; Y265-Y348 HydrophobicContact CD2-CG 4.2Å |
| 266 | S | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.6 | -38.7 | -168.9 | 74.8 | 0 | 0 | 0 | 0 | 113.2 | A262 R263 F268 N269 M272 S273 D291 G292 I293 | A262-S266 PolarHBondContact O-N 2.69Å; R263-S266 WeakPolarHBondContact CA-OG 3.37Å; R263-S266 PolarHBondContact O-N 2.84Å; S266-F268 VanDerWaalsContact C-N 3.28Å; S266-F268 PolarHBondContact O-N 3.13Å; S266-N269 PolarHBondContact O-N 2.86Å; S266-N269 VanDerWaalsContact O-N 3.15Å; S266-N269 VanDerWaalsContact O-O 3.08Å; S266-M272 VanDerWaalsContact CA-SD 3.57Å; S266-M272 VanDerWaalsContact CB-SD 3.54Å; S266-S273 VanDerWaalsContact O-CB 3.31Å; S266-S273 WeakPolarHBondContact O-CB 3.37Å; S266-S273 PolarHBondContact O-N 3.26Å; S266-D291 PolarHBondContact OG-O 2.9Å; S266-G292 WeakPolarHBondContact CB-O 3.48Å; S266-I293 WeakPolarHBondContact OG-CG2 3.23Å |
| 267 | M | 97.9 | Very high | 96.9 | Very high | 104 Ų | 104 | 44.7 Ų | 44.7 | 51% | 0.512 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -19.9 | -175.8 | -68.3 | -56.6 | -41.6 | 0 | 0 | 114.3 | R263 Y265 | R263-M267 HydrophobicContact CB-CG 4.23Å; R263-M267 WeakPolarHBondContact O-CB 3.23Å; R263-M267 VanDerWaalsContact O-CG 3.24Å; R263-M267 WeakPolarHBondContact O-CG 3.2Å; R263-M267 PolarHBondContact O-N 3.1Å; Y265-M267 VanDerWaalsContact C-N 3.3Å; Y265-M267 PolarHBondContact O-N 3.4Å |
| 268 | F | 97.5 | Very high | 96.4 | Very high | 109 Ų | 109 | 49.5 Ų | 49.5 | 48% | 0.478 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -9.5 | 174.9 | -80.5 | -100.3 | 0 | 0 | 0 | 112.5 | Y265 S266 D343 S344 N347 | Y265-F268 PolarHBondContact O-N 3.38Å; Y265-F268 VanDerWaalsContact O-N 3.17Å; S266-F268 VanDerWaalsContact C-N 3.28Å; S266-F268 PolarHBondContact O-N 3.13Å; F268-D343 HydrophobicContact CD1-CB 4.3Å; F268-S344 VanDerWaalsContact CB-OG 3.3Å; F268-S344 WeakPolarHBondContact CB-OG 3.46Å; F268-S344 PolarHBondContact O-OG 3.39Å; F268-N347 HydrophobicContact CD2-CB 4.4Å; F268-N347 HydrophobicContact CG-CB 4.42Å |
| 269 | N | 98.6 | Very high | 96 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -95 | 115.7 | 175 | 179.9 | -50.3 | 0 | 0 | 0 | 108.7 | Y265 S266 V271 M272 S273 N341 S344 | Y265-N269 PolarHBondContact O-N 2.99Å; S266-N269 PolarHBondContact O-N 2.86Å; S266-N269 VanDerWaalsContact O-N 3.15Å; S266-N269 VanDerWaalsContact O-O 3.08Å; N269-V271 PolarHBondContact O-N 2.79Å; N269-V271 PolarHBondContact OD1-N 2.66Å; N269-M272 HydrophobicContact CB-CB 3.8Å; N269-M272 PolarHBondContact O-N 3.44Å; N269-M272 PolarHBondContact OD1-N 3.27Å; N269-S273 WeakPolarHBondContact O-CB 3.44Å; N269-S273 PolarHBondContact O-N 3.35Å; N269-S273 PolarHBondContact O-OG 3.18Å; N269-N341 PolarHBondContact ND2-OD1 3.08Å; N269-S344 WeakPolarHBondContact CA-OG 3.44Å; N269-S344 PolarHBondContact N-OG 2.85Å |
| 270 | P | 97.3 | Very high | 95.7 | Very high | 80 Ų | 80 | 51 Ų | 51 | 52% | 0.519 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -21.9 | -172.7 | 27.1 | -35.2 | 0 | 0 | 0 | 114 | Q340 | P270-Q340 WeakPolarHBondContact CD-O 3.32Å; P270-Q340 HydrophobicContact CG-CB 4.31Å; P270-Q340 HydrophobicContact CG-CG 4.06Å |
| 271 | V | 96.6 | Very high | 95.2 | Very high | 49 Ų | 49 | 55.5 Ų | 55.5 | 30% | 0.297 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -43.8 | 176.9 | -177.9 | 0 | 0 | 0 | 0 | 110.4 | V232 N269 D274 R277 Q340 | V232-V271 HydrophobicContact CG1-CG1 4.13Å; N269-V271 PolarHBondContact O-N 2.79Å; N269-V271 PolarHBondContact OD1-N 2.66Å; V271-D274 PolarHBondContact O-N 2.71Å; V271-R277 WeakPolarHBondContact O-CD 3.34Å; V271-Q340 HydrophobicContact CG2-CG 4.39Å |
| 272 | M | 97.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -36.8 | -178.7 | -164.3 | 179.5 | -71.2 | 0 | 0 | 111.9 | V232 A234 Y265 S266 N269 D274 G292 E322 L323 | V232-M272 HydrophobicContact CG1-CB 3.85Å; V232-M272 HydrophobicContact CG1-CE 4.18Å; V232-M272 HydrophobicContact CG1-CG 4.14Å; A234-M272 HydrophobicContact CB-SD 3.94Å; A234-M272 PolarHBondContact N-SD 2.9Å; A234-M272 VanDerWaalsContact N-SD 3.44Å; Y265-M272 HydrophobicContact CD1-CE 4.17Å; Y265-M272 HydrophobicContact CD1-SD 4.12Å; Y265-M272 HydrophobicContact CE1-CE 4.13Å; S266-M272 VanDerWaalsContact CA-SD 3.57Å; S266-M272 VanDerWaalsContact CB-SD 3.54Å; N269-M272 HydrophobicContact CB-CB 3.8Å; N269-M272 PolarHBondContact O-N 3.44Å; N269-M272 PolarHBondContact OD1-N 3.27Å; M272-D274 VanDerWaalsContact C-N 3.33Å; M272-D274 PolarHBondContact O-N 3.07Å; M272-G292 WeakPolarHBondContact CG-O 3.36Å; M272-G292 WeakPolarHBondContact O-CA 3.46Å; M272-E322 VanDerWaalsContact CE-O 3.26Å; M272-E322 WeakPolarHBondContact CE-O 3.41Å; M272-L323 HydrophobicContact CE-CD2 4.49Å |
| 273 | S | 96.6 | Very high | 93.4 | Very high | 34 Ų | 34 | 72.8 Ų | 72.8 | 24% | 0.238 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -9.3 | 177.9 | 56.7 | 0 | 0 | 0 | 0 | 114.9 | S266 N269 P275 | S266-S273 VanDerWaalsContact O-CB 3.31Å; S266-S273 WeakPolarHBondContact O-CB 3.37Å; S266-S273 PolarHBondContact O-N 3.26Å; N269-S273 WeakPolarHBondContact O-CB 3.44Å; N269-S273 PolarHBondContact O-N 3.35Å; N269-S273 PolarHBondContact O-OG 3.18Å; S273-P275 WeakPolarHBondContact O-CD 3.41Å |
| 274 | D | 95.3 | Very high | 92.7 | Very high | 69 Ų | 69 | 71 Ų | 71 | 37% | 0.369 | 37% | 0.372 | S | S | . | . | trans | -75.1 | 111.7 | -178.9 | -178.4 | 4.2 | 0 | 0 | 0 | 110.9 | V271 M272 H276 R277 | V271-D274 PolarHBondContact O-N 2.71Å; M272-D274 VanDerWaalsContact C-N 3.33Å; M272-D274 PolarHBondContact O-N 3.07Å; D274-H276 PolarHBondContact O-N 3.39Å; D274-H276 VanDerWaalsContact O-N 3.13Å; D274-H276 PolarHBondContact OD1-N 3.07Å; D274-H276 IonicContact OD1-ND1 3.29Å; D274-R277 HydrophobicContact CB-CB 4.25Å; D274-R277 PolarHBondContact O-N 3.43Å; D274-R277 VanDerWaalsContact O-N 3.16Å | ||
| 275 | P | 90.7 | Very high | 91.8 | Very high | 116 Ų | 116 | 76.2 Ų | 76.2 | 75% | 0.753 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -9 | 179.2 | 30.4 | -35.1 | 0 | 0 | 0 | 113.4 | S273 | S273-P275 WeakPolarHBondContact O-CD 3.41Š|
| 276 | H | 90 | Very high | 91.2 | Very high | 162 Ų | 162 | 77.7 Ų | 77.7 | 75% | 0.75 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.3 | 9.5 | 177.2 | -53.9 | 91.3 | 0 | 0 | 0 | 112.9 | D274 | D274-H276 PolarHBondContact O-N 3.39Å; D274-H276 VanDerWaalsContact O-N 3.13Å; D274-H276 PolarHBondContact OD1-N 3.07Å; D274-H276 IonicContact OD1-ND1 3.29Å |
| 277 | R | 89.6 | Confident | 90.4 | Very high | 34 Ų | 34 | 81.6 Ų | 81.6 | 13% | 0.128 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 136.4 | 177.3 | 80.7 | 177.2 | -174.8 | 76.6 | 18.1 | 109.6 | D231 V232 V271 D274 D286 | D231-R277 IonicContact OD1-CZ 2.83Å; D231-R277 IonicContact OD1-NH1 2.73Å; D231-R277 PolarHBondContact OD1-NH1 2.88Å; D231-R277 IonicContact OD1-NH2 3.54Å; V232-R277 PolarHBondContact O-NE 3.06Å; V271-R277 WeakPolarHBondContact O-CD 3.34Å; D274-R277 HydrophobicContact CB-CB 4.25Å; D274-R277 PolarHBondContact O-N 3.43Å; D274-R277 VanDerWaalsContact O-N 3.16Å; R277-D286 IonicContact CZ-OD2 3.93Å; R277-D286 IonicContact NH1-OD2 3.7Å; R277-D286 IonicContact NH2-OD2 3.66Å; R277-D286 PolarHBondContact NH2-OD2 2.89Å |
| 278 | P | 88.8 | Confident | 89.8 | Confident | 104 Ų | 104 | 78.1 Ų | 78.1 | 68% | 0.675 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 148.4 | 172.1 | 28.8 | -33.3 | 0 | 0 | 0 | 110 | ||
| 279 | P | 90.7 | Very high | 89.6 | Confident | 55 Ų | 55 | 73.9 Ų | 73.9 | 36% | 0.357 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 148.5 | 172.1 | 28.6 | -35.1 | 0 | 0 | 0 | 110.1 | R281 D284 D286 | P279-R281 WeakPolarHBondContact CB-O 3.34Å; P279-R281 PolarHBondContact O-N 3.12Å; P279-D284 HydrophobicContact CB-CB 4.28Å; P279-D286 WeakPolarHBondContact CA-OD2 3.3Å; P279-D286 WeakPolarHBondContact CB-OD2 3.35Å |
| 280 | C | 92.2 | Very high | 89.2 | Confident | 32 Ų | 32 | 81.2 Ų | 81.2 | 22% | 0.216 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -60.9 | -35.4 | -177.4 | -72.9 | 0 | 0 | 0 | 0 | 112 | D231 C325 | D231-C280 PolarHBondContact OD1-SG 3.4Å; D231-C280 VanDerWaalsContact OD1-SG 3.35Å; C280-C325 WeakPolarHBondContact CA-SG 3.48Å; C280-C325 HydrophobicContact CB-CB 3.48Å; C280-C325 VanDerWaalsContact CB-CB 3.48Å; C280-C325 WeakPolarHBondContact CB-SG 3.45Å; C280-C325 WeakPolarHBondContact SG-CA 3.43Å; C280-C325 WeakPolarHBondContact SG-CB 3.38Å; C280-C325 CovalentContact SG-SG 2.03Å; C280-C325 PolarHBondContact SG-SG 3.46Å |
| 281 | R | 87.1 | Confident | 89.1 | Confident | 117 Ų | 117 | 81.3 Ų | 81.3 | 44% | 0.442 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -121.6 | 148.1 | 167.3 | -48.7 | 163.5 | 165.7 | -174.4 | -9.2 | 110 | P279 N283 D284 | P279-R281 WeakPolarHBondContact CB-O 3.34Å; P279-R281 PolarHBondContact O-N 3.12Å; R281-N283 PolarHBondContact O-N 3.39Å; R281-D284 WeakPolarHBondContact CA-OD2 3.19Å; R281-D284 WeakPolarHBondContact CB-OD2 3.19Å; R281-D284 WeakPolarHBondContact CD-OD2 3.39Å; R281-D284 VanDerWaalsContact CG-OD2 3.22Å; R281-D284 WeakPolarHBondContact CG-OD2 3.23Å; R281-D284 PolarHBondContact N-OD2 2.92Å; R281-D284 PolarHBondContact O-N 3.32Å |
| 282 | K | 80 | Confident | 89.1 | Confident | 205 Ų | 205 | 79.3 Ų | 79.3 | 89% | 0.891 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -21.3 | -174.9 | -71.5 | -175.4 | 178.3 | 179 | 0 | 115.6 | ||
| 283 | N | 80.6 | Confident | 89.2 | Confident | 158 Ų | 158 | 79.5 Ų | 79.5 | 85% | 0.845 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.2 | 8.9 | -175.9 | -60.7 | -21.1 | 0 | 0 | 0 | 112.6 | R281 | R281-N283 PolarHBondContact O-N 3.39Š|
| 284 | D | 82.9 | Confident | 89.3 | Confident | 54 Ų | 54 | 78 Ų | 78 | 29% | 0.289 | 41% | 0.41 | S | S | . | . | trans | -71.4 | 139.1 | 175.7 | -65.1 | -18.5 | 0 | 0 | 0 | 109.3 | P279 R281 D286 | P279-D284 HydrophobicContact CB-CB 4.28Å; R281-D284 WeakPolarHBondContact CA-OD2 3.19Å; R281-D284 WeakPolarHBondContact CB-OD2 3.19Å; R281-D284 WeakPolarHBondContact CD-OD2 3.39Å; R281-D284 VanDerWaalsContact CG-OD2 3.22Å; R281-D284 WeakPolarHBondContact CG-OD2 3.23Å; R281-D284 PolarHBondContact N-OD2 2.92Å; R281-D284 PolarHBondContact O-N 3.32Å; D284-D286 WeakPolarHBondContact CB-OD1 3.47Å; D284-D286 PolarHBondContact O-N 2.83Å | ||
| 285 | D | 80.4 | Confident | 89.4 | Confident | 116 Ų | 116 | 74.8 Ų | 74.8 | 62% | 0.62 | 39% | 0.392 | S | S | * | . | trans | -95 | 86.6 | 177.2 | -176.9 | 7.7 | 0 | 0 | 0 | 110.1 | S287 | D285-S287 PolarHBondContact O-N 3.46Å; D285-S287 WeakPolarHBondContact OD1-CB 3.26Å; D285-S287 PolarHBondContact OD1-N 2.84Å; D285-S287 VanDerWaalsContact OD1-N 3.1Å; D285-S287 PolarHBondContact OD1-OG 3.35Å; D285-S287 PolarHBondContact OD2-OG 2.87Å | ||
| 286 | D | 85.8 | Confident | 89.8 | Confident | 32 Ų | 32 | 69.3 Ų | 69.3 | 17% | 0.171 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -84.4 | 14.4 | 179.3 | -63.6 | 14.9 | 0 | 0 | 0 | 111.8 | R277 P279 D284 S288 F289 | R277-D286 IonicContact CZ-OD2 3.93Å; R277-D286 IonicContact NH1-OD2 3.7Å; R277-D286 IonicContact NH2-OD2 3.66Å; R277-D286 PolarHBondContact NH2-OD2 2.89Å; P279-D286 WeakPolarHBondContact CA-OD2 3.3Å; P279-D286 WeakPolarHBondContact CB-OD2 3.35Å; D284-D286 WeakPolarHBondContact CB-OD1 3.47Å; D284-D286 PolarHBondContact O-N 2.83Å; D286-S288 PolarHBondContact O-N 3.37Å; D286-S288 VanDerWaalsContact O-N 3.07Å; D286-F289 HydrophobicContact CB-CD2 4.26Å; D286-F289 HydrophobicContact CB-CG 4.34Å; D286-F289 WeakPolarHBondContact O-CB 3.49Å; D286-F289 PolarHBondContact O-N 2.8Å |
| 287 | S | 82.6 | Confident | 90.1 | Very high | 81 Ų | 81 | 61.6 Ų | 61.6 | 57% | 0.566 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -62.3 | -20.1 | -175.2 | 65.2 | 0 | 0 | 0 | 0 | 114 | D285 | D285-S287 PolarHBondContact O-N 3.46Å; D285-S287 WeakPolarHBondContact OD1-CB 3.26Å; D285-S287 PolarHBondContact OD1-N 2.84Å; D285-S287 VanDerWaalsContact OD1-N 3.1Å; D285-S287 PolarHBondContact OD1-OG 3.35Å; D285-S287 PolarHBondContact OD2-OG 2.87Å |
| 288 | S | 84.3 | Confident | 90.5 | Very high | 32 Ų | 32 | 61 Ų | 61 | 22% | 0.224 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -79.8 | -17.3 | 174 | 56.5 | 0 | 0 | 0 | 0 | 113.5 | D286 K290 T294 | D286-S288 PolarHBondContact O-N 3.37Å; D286-S288 VanDerWaalsContact O-N 3.07Å; S288-K290 PolarHBondContact O-N 3.32Å; S288-T294 WeakPolarHBondContact CB-OG1 3.37Å; S288-T294 PolarHBondContact OG-OG1 3.11Å |
| 289 | F | 93.2 | Very high | 90.8 | Very high | 20 Ų | 20 | 58 Ų | 58 | 9% | 0.088 | 30% | 0.299 | C | S | . | . | trans | -86.6 | 53.3 | -169 | -64.4 | 14.3 | 0 | 0 | 0 | 112.9 | D231 V233 D286 G292 I293 T294 W299 | D231-F289 HydrophobicContact CB-CE2 4.47Å; V233-F289 HydrophobicContact CB-CD2 3.45Å; V233-F289 VanDerWaalsContact CB-CD2 3.45Å; V233-F289 HydrophobicContact CB-CE2 3.51Å; V233-F289 HydrophobicContact CB-CG 4.06Å; V233-F289 HydrophobicContact CB-CZ 4.08Å; V233-F289 HydrophobicContact CG1-CD2 4Å; V233-F289 HydrophobicContact CG1-CE1 4.26Å; V233-F289 HydrophobicContact CG1-CE2 3.52Å; V233-F289 HydrophobicContact CG1-CZ 3.67Å; V233-F289 HydrophobicContact CG2-CB 4.13Å; V233-F289 HydrophobicContact CG2-CD1 3.93Å; V233-F289 HydrophobicContact CG2-CD2 3.54Å; V233-F289 HydrophobicContact CG2-CE1 4.26Å; V233-F289 HydrophobicContact CG2-CE2 3.96Å; V233-F289 HydrophobicContact CG2-CG 3.6Å; V233-F289 HydrophobicContact CG2-CZ 4.3Å; D286-F289 HydrophobicContact CB-CD2 4.26Å; D286-F289 HydrophobicContact CB-CG 4.34Å; D286-F289 WeakPolarHBondContact O-CB 3.49Å; D286-F289 PolarHBondContact O-N 2.8Å; F289-G292 PolarHBondContact O-N 3.2Å; F289-I293 CarbonylContact C-O 3.46Å; F289-I293 VanDerWaalsContact CA-O 3.31Å; F289-I293 WeakPolarHBondContact CA-O 3.45Å; F289-T294 HydrophobicContact CD1-CG2 3.93Å; F289-T294 HydrophobicContact CE1-CG2 3.76Å; F289-W299 HydrophobicContact CE1-CB 4.19Å; F289-W299 AromaticContact CE1-CD1 3.62Å; F289-W299 AromaticContact CE1-CD2 3.83Å; F289-W299 HydrophobicContact CE1-CD2 3.83Å; F289-W299 AromaticContact CE1-CE2 3.95Å; F289-W299 AromaticContact CE1-CG 3.64Å; F289-W299 HydrophobicContact CE1-CG 3.64Å; F289-W299 AromaticContact CE1-NE1 3.8Å; F289-W299 AromaticContact CZ-CD1 3.88Å; F289-W299 AromaticContact CZ-CD2 3.79Å; F289-W299 HydrophobicContact CZ-CD2 3.79Å; F289-W299 AromaticContact CZ-CE2 3.49Å; F289-W299 VanDerWaalsContact CZ-CE2 3.49Å; F289-W299 HydrophobicContact CZ-CE3 4.41Å; F289-W299 HydrophobicContact CZ-CG 4.04Å; F289-W299 HydrophobicContact CZ-CH2 4.48Å; F289-W299 AromaticContact CZ-CZ2 3.87Å; F289-W299 HydrophobicContact CZ-CZ2 3.87Å; F289-W299 AromaticContact CZ-NE1 3.54Å | ||
| 290 | K | 91.4 | Very high | 91 | Very high | 155 Ų | 155 | 59.4 Ų | 59.4 | 67% | 0.674 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -71.9 | 135 | 178 | -63.6 | 177.5 | -177.6 | 172.8 | 0 | 109.5 | S288 G292 I293 | S288-K290 PolarHBondContact O-N 3.32Å; K290-G292 PolarHBondContact O-N 3.06Å; K290-I293 PolarHBondContact N-O 3.04Å; K290-I293 WeakPolarHBondContact O-CG1 3.36Å; K290-I293 PolarHBondContact O-N 3.15Å; K290-I293 VanDerWaalsContact O-N 3.16Å |
| 291 | D | 94.9 | Very high | 91.3 | Very high | 82 Ų | 82 | 59.4 Ų | 59.4 | 44% | 0.439 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | 58.4 | 22.4 | -175.1 | -46.8 | -34.1 | 0 | 0 | 0 | 114.1 | R263 S266 I293 | R263-D291 IonicContact CZ-OD2 3.1Å; R263-D291 IonicContact NE-OD2 3.81Å; R263-D291 PolarHBondContact NE-OD2 3.07Å; R263-D291 IonicContact NH2-OD2 3.95Å; R263-D291 PolarHBondContact NH2-OD2 3.28Å; S266-D291 PolarHBondContact OG-O 2.9Å; D291-I293 PolarHBondContact O-N 2.9Å |
| 292 | G | 97 | Very high | 91.7 | Very high | 6 Ų | 6 | 54 Ų | 54 | 6% | 0.062 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | 70.6 | 17.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | A234 S266 M272 F289 K290 | A234-G292 PolarHBondContact N-O 2.92Å; S266-G292 WeakPolarHBondContact CB-O 3.48Å; M272-G292 WeakPolarHBondContact CG-O 3.36Å; M272-G292 WeakPolarHBondContact O-CA 3.46Å; F289-G292 PolarHBondContact O-N 3.2Å; K290-G292 PolarHBondContact O-N 3.06Å |
| 293 | I | 98.5 | Very high | 92.5 | Very high | 6 Ų | 6 | 46.8 Ų | 46.8 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 155 | 177.8 | 71.8 | 165.3 | 0 | 0 | 0 | 110.8 | A234 Y236 K259 A262 R263 S266 F289 K290 D291 | A234-I293 HydrophobicContact CB-CG2 4.22Å; A234-I293 CarbonylContact O-C 3.31Å; A234-I293 WeakPolarHBondContact O-CA 3.09Å; Y236-I293 HydrophobicContact CD1-CB 4.42Å; Y236-I293 HydrophobicContact CE1-CB 4.04Å; Y236-I293 HydrophobicContact CE1-CD1 3.73Å; Y236-I293 HydrophobicContact CE1-CG1 4Å; K259-I293 HydrophobicContact CB-CD1 4.18Å; K259-I293 HydrophobicContact CG-CD1 4.01Å; A262-I293 HydrophobicContact CB-CB 3.87Å; A262-I293 HydrophobicContact CB-CD1 4.46Å; A262-I293 HydrophobicContact CB-CG2 3.56Å; R263-I293 HydrophobicContact CG-CD1 4.07Å; R263-I293 HydrophobicContact CG-CG2 3.98Å; S266-I293 WeakPolarHBondContact OG-CG2 3.23Å; F289-I293 CarbonylContact C-O 3.46Å; F289-I293 VanDerWaalsContact CA-O 3.31Å; F289-I293 WeakPolarHBondContact CA-O 3.45Å; K290-I293 PolarHBondContact N-O 3.04Å; K290-I293 WeakPolarHBondContact O-CG1 3.36Å; K290-I293 PolarHBondContact O-N 3.15Å; K290-I293 VanDerWaalsContact O-N 3.16Å; D291-I293 PolarHBondContact O-N 2.9Å |
| 294 | T | 98.4 | Very high | 93.2 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 148.1 | 174.1 | -163.9 | 0 | 0 | 0 | 0 | 112.5 | V233 A234 N235 Y236 S288 F289 W299 | V233-T294 HydrophobicContact CG1-CG2 4.16Å; V233-T294 HydrophobicContact CG2-CG2 3.67Å; A234-T294 PolarHBondContact O-N 3.16Å; N235-T294 CarbonylContact C-O 3.32Å; N235-T294 VanDerWaalsContact CA-O 3.28Å; N235-T294 WeakPolarHBondContact CA-O 2.92Å; N235-T294 HydrophobicContact CB-CG2 4.09Å; Y236-T294 WeakPolarHBondContact CD1-O 3.46Å; Y236-T294 WeakPolarHBondContact CE1-O 3.37Å; Y236-T294 PolarHBondContact N-O 3.06Å; S288-T294 WeakPolarHBondContact CB-OG1 3.37Å; S288-T294 PolarHBondContact OG-OG1 3.11Å; F289-T294 HydrophobicContact CD1-CG2 3.93Å; F289-T294 HydrophobicContact CE1-CG2 3.76Å; T294-W299 HydrophobicContact CG2-CB 4.01Å; T294-W299 HydrophobicContact CG2-CD2 4.46Å; T294-W299 HydrophobicContact CG2-CE3 4.17Å; T294-W299 HydrophobicContact CG2-CG 4.44Å |
| 295 | N | 98.6 | Very high | 94 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 135.6 | 165.9 | 164.1 | -104.3 | 0 | 0 | 0 | 108.1 | Y236 P237 Y238 Y249 S250 G297 A298 W299 | Y236-N295 HydrophobicContact CD2-CB 4.41Å; Y236-N295 HydrophobicContact CE2-CB 3.77Å; Y236-N295 WeakPolarHBondContact O-CA 3.22Å; P237-N295 VanDerWaalsContact C-ND2 3.27Å; P237-N295 PolarHBondContact O-ND2 3.45Å; Y238-N295 PolarHBondContact N-ND2 3.16Å; Y238-N295 VanDerWaalsContact N-ND2 3.16Å; Y238-N295 PolarHBondContact O-ND2 3.34Å; Y238-N295 VanDerWaalsContact O-ND2 3.07Å; Y249-N295 WeakPolarHBondContact CA-OD1 3.45Å; Y249-N295 HydrophobicContact CD2-CB 3.73Å; Y249-N295 HydrophobicContact CE2-CB 3.4Å; Y249-N295 HydrophobicContact CG-CB 4.49Å; S250-N295 PolarHBondContact N-OD1 2.99Å; S250-N295 PolarHBondContact O-ND2 2.97Å; S250-N295 VanDerWaalsContact O-ND2 3.1Å; N295-G297 PolarHBondContact O-N 2.72Å; N295-G297 PolarHBondContact OD1-N 2.8Å; N295-A298 HydrophobicContact CB-CB 4.02Å; N295-A298 WeakPolarHBondContact O-CB 3.4Å; N295-A298 PolarHBondContact O-N 3.12Å; N295-A298 VanDerWaalsContact O-N 3.1Å; N295-A298 PolarHBondContact OD1-N 3.11Å; N295-W299 PolarHBondContact O-N 2.83Å |
| 296 | G | 98.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.2 | -49.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | N235 Y236 Y238 D239 A298 W299 Y300 | N235-G296 WeakPolarHBondContact OD1-CA 3.47Å; N235-G296 PolarHBondContact OD1-N 2.92Å; Y236-G296 PolarHBondContact O-N 3.43Å; Y238-G296 PolarHBondContact O-N 3.46Å; D239-G296 WeakPolarHBondContact OD1-CA 3.38Å; G296-A298 PolarHBondContact O-N 2.88Å; G296-W299 WeakPolarHBondContact O-CA 3.34Å; G296-W299 PolarHBondContact O-N 3.04Å; G296-Y300 CarbonylContact O-C 3.6Å; G296-Y300 PolarHBondContact O-N 2.9Å |
| 297 | G | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.4 | -33.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y238 D239 T241 H247 E248 N295 W299 | Y238-G297 PolarHBondContact O-N 3.41Å; D239-G297 WeakPolarHBondContact O-CA 3.29Å; D239-G297 PolarHBondContact O-N 3.24Å; T241-G297 WeakPolarHBondContact CG2-O 3.29Å; H247-G297 CarbonylContact C-O 3.57Å; H247-G297 WeakPolarHBondContact CA-O 3.28Å; E248-G297 PolarHBondContact N-O 3.1Å; E248-G297 CarbonylContact O-C 3.53Å; E248-G297 WeakPolarHBondContact O-CA 3.48Å; N295-G297 PolarHBondContact O-N 2.72Å; N295-G297 PolarHBondContact OD1-N 2.8Å; G297-W299 VanDerWaalsContact C-N 3.34Å |
| 298 | A | 97.3 | Very high | 96.2 | Very high | 23 Ų | 23 | 26.3 Ų | 26.3 | 19% | 0.19 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -69.2 | -32.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E248 Y249 N295 G296 | E248-A298 PolarHBondContact O-N 3.09Å; E248-A298 VanDerWaalsContact O-N 3.14Å; Y249-A298 HydrophobicContact CD2-CB 3.95Å; N295-A298 HydrophobicContact CB-CB 4.02Å; N295-A298 WeakPolarHBondContact O-CB 3.4Å; N295-A298 PolarHBondContact O-N 3.12Å; N295-A298 VanDerWaalsContact O-N 3.1Å; N295-A298 PolarHBondContact OD1-N 3.11Å; G296-A298 PolarHBondContact O-N 2.88Å |
| 299 | W | 96.6 | Very high | 96.9 | Very high | 41 Ų | 41 | 24.9 Ų | 24.9 | 16% | 0.155 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -76.9 | -60.7 | 175.5 | -178.7 | 23 | 0 | 0 | 0 | 111.6 | D231 V233 H247 F289 T294 N295 G296 G297 E322 | D231-W299 HydrophobicContact CB-CH2 4.01Å; D231-W299 HydrophobicContact CB-CZ2 4Å; V233-W299 HydrophobicContact CG1-CH2 4.39Å; V233-W299 HydrophobicContact CG1-CZ3 4.18Å; H247-W299 PolarHBondContact CE1-O 2.95Å; H247-W299 PolarHBondContact ND1-O 3.04Å; F289-W299 HydrophobicContact CE1-CB 4.19Å; F289-W299 AromaticContact CE1-CD1 3.62Å; F289-W299 AromaticContact CE1-CD2 3.83Å; F289-W299 HydrophobicContact CE1-CD2 3.83Å; F289-W299 AromaticContact CE1-CE2 3.95Å; F289-W299 AromaticContact CE1-CG 3.64Å; F289-W299 HydrophobicContact CE1-CG 3.64Å; F289-W299 AromaticContact CE1-NE1 3.8Å; F289-W299 AromaticContact CZ-CD1 3.88Å; F289-W299 AromaticContact CZ-CD2 3.79Å; F289-W299 HydrophobicContact CZ-CD2 3.79Å; F289-W299 AromaticContact CZ-CE2 3.49Å; F289-W299 VanDerWaalsContact CZ-CE2 3.49Å; F289-W299 HydrophobicContact CZ-CE3 4.41Å; F289-W299 HydrophobicContact CZ-CG 4.04Å; F289-W299 HydrophobicContact CZ-CH2 4.48Å; F289-W299 AromaticContact CZ-CZ2 3.87Å; F289-W299 HydrophobicContact CZ-CZ2 3.87Å; F289-W299 AromaticContact CZ-NE1 3.54Å; T294-W299 HydrophobicContact CG2-CB 4.01Å; T294-W299 HydrophobicContact CG2-CD2 4.46Å; T294-W299 HydrophobicContact CG2-CE3 4.17Å; T294-W299 HydrophobicContact CG2-CG 4.44Å; N295-W299 PolarHBondContact O-N 2.83Å; G296-W299 WeakPolarHBondContact O-CA 3.34Å; G296-W299 PolarHBondContact O-N 3.04Å; G297-W299 VanDerWaalsContact C-N 3.34Å; W299-E322 HydrophobicContact CH2-CG 3.89Å; W299-E322 HydrophobicContact CZ3-CG 3.97Å |
| 300 | Y | 94.6 | Very high | 97.2 | Very high | 84 Ų | 84 | 23.9 Ų | 23.9 | 33% | 0.329 | 12% | 0.124 | S | C | . | . | trans | -166.8 | 141.7 | 165.6 | 62.1 | -84.1 | 0 | 0 | 0 | 110.5 | A246 G296 V302 | A246-Y300 CarbonylContact O-C 3.45Å; A246-Y300 VanDerWaalsContact O-CA 3.26Å; A246-Y300 WeakPolarHBondContact O-CA 3.38Å; G296-Y300 CarbonylContact O-C 3.6Å; G296-Y300 PolarHBondContact O-N 2.9Å; Y300-V302 HydrophobicContact CD2-CG2 3.57Å; Y300-V302 HydrophobicContact CE2-CG2 3.23Å; Y300-V302 PolarHBondContact O-N 2.79Å | ||
| 301 | S | 96.9 | Very high | 97.5 | Very high | 31 Ų | 31 | 16.5 Ų | 16.5 | 22% | 0.217 | 9% | 0.092 | C | C | . | . | trans | -61 | 129.8 | -177.2 | -166 | 0 | 0 | 0 | 0 | 113.3 | D239 T241 A246 | D239-S301 CarbonylContact O-C 3.58Å; D239-S301 WeakPolarHBondContact O-CA 3.22Å; T241-S301 PolarHBondContact N-OG 3.25Å; T241-S301 PolarHBondContact OG1-OG 2.79Å; A246-S301 PolarHBondContact O-N 3.29Å | ||
| 302 | V | 96.4 | Very high | 97.7 | Very high | 5 Ų | 5 | 12.6 Ų | 12.6 | 3% | 0.03 | 7% | 0.071 | C | C | . | . | trans | -131.1 | 97.9 | 178.4 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | D239 Y300 | D239-V302 HydrophobicContact CB-CB 4Å; D239-V302 HydrophobicContact CB-CG1 4.43Å; D239-V302 PolarHBondContact O-N 3.1Å; Y300-V302 HydrophobicContact CD2-CG2 3.57Å; Y300-V302 HydrophobicContact CE2-CG2 3.23Å; Y300-V302 PolarHBondContact O-N 2.79Å | ||
| 303 | P | 96.5 | Very high | 97.7 | Very high | 53 Ų | 53 | 12.3 Ų | 12.3 | 34% | 0.344 | 7% | 0.068 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 148.2 | 172.4 | 30.2 | -33.4 | 0 | 0 | 0 | 112.1 | R169 D173 E240 G305 | R169-P303 WeakPolarHBondContact CD-O 3.48Å; D173-P303 WeakPolarHBondContact OD2-CB 3.38Å; E240-P303 HydrophobicContact CG-CB 4Å; P303-G305 VanDerWaalsContact C-N 3.31Å; P303-G305 PolarHBondContact O-N 2.81Å |
| 304 | G | 96.2 | Very high | 97.6 | Very high | 5 Ų | 5 | 12.5 Ų | 12.5 | 5% | 0.052 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | 28.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | N168 R169 N170 F171 | N168-G304 CarbonylContact C-O 3.6Å; R169-G304 CarbonylContact C-O 3.59Å; R169-G304 VanDerWaalsContact C-O 3.29Å; R169-G304 VanDerWaalsContact CA-O 3.31Å; R169-G304 WeakPolarHBondContact CA-O 3.44Å; N170-G304 PolarHBondContact N-O 3.33Å; F171-G304 PolarHBondContact N-O 2.97Å; F171-G304 WeakPolarHBondContact O-CA 3.47Å |
| 305 | G | 98.2 | Very high | 97.7 | Very high | 4 Ų | 4 | 13.5 Ų | 13.5 | 4% | 0.041 | 8% | 0.075 | C | C | . | . | trans | -77.9 | 156.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | N168 P303 F309 | N168-G305 VanDerWaalsContact OD1-CA 3.23Å; N168-G305 WeakPolarHBondContact OD1-CA 3.31Å; P303-G305 VanDerWaalsContact C-N 3.31Å; P303-G305 PolarHBondContact O-N 2.81Å; G305-F309 WeakPolarHBondContact O-CB 3.41Å; G305-F309 PolarHBondContact O-N 2.93Å | ||
| 306 | M | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -71 | -33.3 | 177.9 | -172.6 | 168 | 68.4 | 0 | 0 | 112.7 | I90 M93 M137 N168 F171 V212 N226 F309 N310 E318 | I90-M306 HydrophobicContact CB-CE 4.14Å; I90-M306 HydrophobicContact CD1-CE 3.76Å; I90-M306 HydrophobicContact CD1-SD 3.87Å; I90-M306 HydrophobicContact CG2-CE 3.99Å; M93-M306 HydrophobicContact CE-CB 4.08Å; M93-M306 HydrophobicContact CE-CE 4.28Å; M93-M306 HydrophobicContact CE-SD 4.36Å; M93-M306 HydrophobicContact SD-CE 4.05Å; M137-M306 HydrophobicContact CE-SD 4.39Å; M137-M306 HydrophobicContact SD-CE 4.47Å; M137-M306 HydrophobicContact SD-SD 3.89Å; N168-M306 PolarHBondContact OD1-N 3.29Å; F171-M306 HydrophobicContact CD1-CG 4.46Å; F171-M306 HydrophobicContact CD2-CB 3.83Å; F171-M306 HydrophobicContact CD2-CG 4.37Å; F171-M306 HydrophobicContact CE1-CB 4.31Å; F171-M306 HydrophobicContact CE1-CG 3.82Å; F171-M306 HydrophobicContact CE1-SD 4.35Å; F171-M306 HydrophobicContact CE2-CB 3.51Å; F171-M306 HydrophobicContact CE2-CG 3.74Å; F171-M306 HydrophobicContact CE2-SD 3.98Å; F171-M306 HydrophobicContact CG-CB 4.37Å; F171-M306 HydrophobicContact CZ-CB 3.77Å; F171-M306 HydrophobicContact CZ-CG 3.42Å; F171-M306 VanDerWaalsContact CZ-CG 3.42Å; F171-M306 HydrophobicContact CZ-SD 3.53Å; F171-M306 VanDerWaalsContact CZ-SD 3.53Å; V212-M306 HydrophobicContact CG1-SD 3.78Å; N226-M306 HydrophobicContact CB-CE 3.34Å; M306-F309 PolarHBondContact O-N 2.93Å; M306-N310 PolarHBondContact O-N 3.09Å; M306-N310 PolarHBondContact O-ND2 3.43Å; M306-E318 WeakPolarHBondContact CE-OE1 3.19Å |
| 307 | Q | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -59.2 | -57.5 | -176.3 | -174.9 | -168.8 | -95.6 | 0 | 0 | 111.5 | N235 P237 D239 F309 N310 E318 T320 | N235-Q307 PolarHBondContact ND2-NE2 3.12Å; N235-Q307 PolarHBondContact ND2-OE1 2.76Å; N235-Q307 PolarHBondContact O-OE1 3.21Å; P237-Q307 HydrophobicContact CG-CG 3.91Å; D239-Q307 PolarHBondContact OD1-NE2 3.09Å; D239-Q307 PolarHBondContact OD2-NE2 3.48Å; Q307-F309 VanDerWaalsContact C-N 3.31Å; Q307-F309 PolarHBondContact O-N 3.17Å; Q307-N310 WeakPolarHBondContact O-CB 3.32Å; Q307-N310 PolarHBondContact O-N 3.47Å; Q307-E318 VanDerWaalsContact CG-O 3.27Å; Q307-E318 WeakPolarHBondContact CG-O 3.21Å; Q307-T320 VanDerWaalsContact OE1-CB 3.23Å; Q307-T320 PolarHBondContact OE1-OG1 3.06Å |
| 308 | D | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.005 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -71.4 | -30.9 | -178 | -67.2 | 5.3 | 0 | 0 | 0 | 111.3 | D175 P237 Y238 D239 N310 Y311 L312 | D175-D308 WeakPolarHBondContact OD2-CB 3.48Å; P237-D308 WeakPolarHBondContact CB-OD1 3.03Å; Y238-D308 WeakPolarHBondContact CA-OD2 3.2Å; Y238-D308 HydrophobicContact CD1-CB 4.28Å; D239-D308 WeakPolarHBondContact CA-OD2 3.4Å; D239-D308 WeakPolarHBondContact CB-OD2 3.44Å; D239-D308 PolarHBondContact N-OD1 3.48Å; D239-D308 PolarHBondContact N-OD2 2.9Å; D308-N310 VanDerWaalsContact C-N 3.33Å; D308-N310 PolarHBondContact O-N 3.4Å; D308-Y311 PolarHBondContact O-N 3.27Å; D308-L312 WeakPolarHBondContact O-CB 3.5Å; D308-L312 WeakPolarHBondContact O-CG 3.46Å; D308-L312 PolarHBondContact O-N 3.44Å |
| 309 | F | 98.5 | Very high | 97.9 | Very high | 2 Ų | 2 | 12.4 Ų | 12.4 | 1% | 0.009 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -57.1 | -44.3 | 171.6 | 177.9 | -92.5 | 0 | 0 | 0 | 111.9 | F171 P172 L174 M195 I213 I216 M217 G305 M306 Q307 Y311 L312 S313 | F171-F309 HydrophobicContact CB-CB 3.98Å; F171-F309 HydrophobicContact CB-CD2 4.27Å; F171-F309 HydrophobicContact CB-CG 4.14Å; F171-F309 HydrophobicContact CD1-CB 3.97Å; F171-F309 AromaticContact CD1-CD1 3.55Å; F171-F309 HydrophobicContact CD1-CD1 3.55Å; F171-F309 HydrophobicContact CD1-CD2 4.18Å; F171-F309 HydrophobicContact CD1-CE1 4.08Å; F171-F309 AromaticContact CD1-CG 3.61Å; F171-F309 HydrophobicContact CD1-CG 3.61Å; F171-F309 HydrophobicContact CE1-CD1 4.01Å; F171-F309 HydrophobicContact CE1-CE1 4.39Å; F171-F309 HydrophobicContact CE1-CG 4.48Å; F171-F309 HydrophobicContact CG-CB 4.23Å; F171-F309 HydrophobicContact CG-CG 4.26Å; P172-F309 HydrophobicContact CB-CD2 4.37Å; P172-F309 HydrophobicContact CB-CE2 4.26Å; P172-F309 HydrophobicContact CG-CD2 4.36Å; P172-F309 HydrophobicContact CG-CE2 3.95Å; L174-F309 HydrophobicContact CD1-CD2 3.97Å; L174-F309 HydrophobicContact CD1-CE2 4.22Å; L174-F309 HydrophobicContact CG-CD2 4.36Å; M195-F309 HydrophobicContact SD-CE2 4.05Å; M195-F309 HydrophobicContact SD-CZ 3.56Å; M195-F309 VanDerWaalsContact SD-CZ 3.56Å; I213-F309 HydrophobicContact CB-CE1 4.31Å; I213-F309 HydrophobicContact CB-CZ 4.23Å; I213-F309 HydrophobicContact CD1-CZ 4.19Å; I213-F309 HydrophobicContact CG1-CE1 3.76Å; I213-F309 HydrophobicContact CG1-CE2 4.46Å; I213-F309 HydrophobicContact CG1-CZ 3.71Å; I213-F309 HydrophobicContact CG2-CE1 4.08Å; I213-F309 HydrophobicContact CG2-CZ 3.63Å; I216-F309 HydrophobicContact CD1-CD1 4.04Å; I216-F309 HydrophobicContact CD1-CE1 4.03Å; M217-F309 HydrophobicContact CE-CE1 4.23Å; M217-F309 HydrophobicContact CE-CZ 4.31Å; G305-F309 WeakPolarHBondContact O-CB 3.41Å; G305-F309 PolarHBondContact O-N 2.93Å; M306-F309 PolarHBondContact O-N 2.93Å; Q307-F309 VanDerWaalsContact C-N 3.31Å; Q307-F309 PolarHBondContact O-N 3.17Å; F309-Y311 PolarHBondContact O-N 3.09Å; F309-L312 PolarHBondContact O-N 2.9Å; F309-S313 WeakPolarHBondContact CE1-OG 3.34Å; F309-S313 WeakPolarHBondContact CZ-OG 3.38Å; F309-S313 WeakPolarHBondContact O-CB 3.29Å; F309-S313 PolarHBondContact O-N 3.33Å; F309-S313 PolarHBondContact O-OG 3.05Å |
| 310 | N | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -55.9 | -52 | 177.1 | -86.5 | -91.1 | 0 | 0 | 0 | 111.3 | K88 M306 Q307 D308 L312 S314 C316 E318 | K88-N310 WeakPolarHBondContact CE-OD1 3.37Å; K88-N310 PolarHBondContact NZ-OD1 2.61Å; M306-N310 PolarHBondContact O-N 3.09Å; M306-N310 PolarHBondContact O-ND2 3.43Å; Q307-N310 WeakPolarHBondContact O-CB 3.32Å; Q307-N310 PolarHBondContact O-N 3.47Å; D308-N310 VanDerWaalsContact C-N 3.33Å; D308-N310 PolarHBondContact O-N 3.4Å; N310-L312 PolarHBondContact O-N 3.23Å; N310-S314 PolarHBondContact O-N 3.37Å; N310-S314 PolarHBondContact O-OG 2.96Å; N310-C316 CarbonylContact C-O 3.46Å; N310-C316 VanDerWaalsContact C-O 3.31Å; N310-C316 HydrophobicContact CB-CB 4.32Å; N310-E318 HydrophobicContact CB-CB 3.74Å; N310-E318 PolarHBondContact ND2-OE1 3.37Å; N310-E318 VanDerWaalsContact ND2-OE1 3.16Å; N310-E318 PolarHBondContact ND2-OE2 3.23Å |
| 311 | Y | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -65.3 | -38.7 | -176.4 | -176.7 | -113.7 | 0 | 0 | 0 | 112.2 | Y238 D254 F258 D308 F309 C316 F317 H380 | Y238-Y311 AromaticContact CE1-CD1 3.75Å; Y238-Y311 HydrophobicContact CE1-CD1 3.75Å; Y238-Y311 HydrophobicContact CE1-CE1 4.07Å; Y238-Y311 AromaticContact CZ-CE1 3.92Å; Y238-Y311 WeakPolarHBondContact OH-CE1 3.32Å; D254-Y311 HydrophobicContact CB-CE2 4.23Å; D254-Y311 WeakPolarHBondContact CB-OH 3.05Å; D254-Y311 PolarHBondContact N-OH 2.94Å; D254-Y311 PolarHBondContact OD2-OH 3.44Å; F258-Y311 AromaticContact CE2-CD2 3.75Å; F258-Y311 HydrophobicContact CE2-CD2 3.75Å; F258-Y311 HydrophobicContact CE2-CE1 4.39Å; F258-Y311 AromaticContact CE2-CE2 3.59Å; F258-Y311 HydrophobicContact CE2-CE2 3.59Å; F258-Y311 HydrophobicContact CE2-CG 4.2Å; F258-Y311 AromaticContact CE2-CZ 3.95Å; F258-Y311 AromaticContact CZ-CD2 3.58Å; F258-Y311 HydrophobicContact CZ-CD2 3.58Å; F258-Y311 AromaticContact CZ-CE2 3.9Å; F258-Y311 HydrophobicContact CZ-CE2 3.9Å; F258-Y311 HydrophobicContact CZ-CG 4.03Å; D308-Y311 PolarHBondContact O-N 3.27Å; F309-Y311 PolarHBondContact O-N 3.09Å; Y311-C316 WeakPolarHBondContact CA-O 3.33Å; Y311-C316 PolarHBondContact N-O 2.88Å; Y311-F317 AromaticContact CD2-CD1 3.79Å; Y311-F317 HydrophobicContact CD2-CD1 3.79Å; Y311-F317 AromaticContact CD2-CE1 3.78Å; Y311-F317 HydrophobicContact CD2-CE1 3.78Å; Y311-F317 HydrophobicContact CD2-CG 4.31Å; Y311-F317 HydrophobicContact CD2-CZ 4.3Å; Y311-F317 HydrophobicContact CE2-CD1 4Å; Y311-F317 AromaticContact CE2-CE1 3.55Å; Y311-F317 HydrophobicContact CE2-CE1 3.55Å; Y311-F317 HydrophobicContact CE2-CE2 4.18Å; Y311-F317 AromaticContact CE2-CZ 3.66Å; Y311-F317 HydrophobicContact CE2-CZ 3.66Å; Y311-H380 AromaticContact CD2-CE1 3.99Å; Y311-H380 AromaticContact CD2-NE2 3.59Å; Y311-H380 AromaticContact CE1-ND1 3.97Å; Y311-H380 AromaticContact CE2-CD2 3.19Å; Y311-H380 WeakPolarHBondContact CE2-CD2 3.47Å; Y311-H380 AromaticContact CE2-CE1 3.77Å; Y311-H380 AromaticContact CE2-CG 3.78Å; Y311-H380 AromaticContact CE2-NE2 3.23Å; Y311-H380 WeakPolarHBondContact CE2-NE2 3.32Å; Y311-H380 AromaticContact CZ-CD2 3.35Å; Y311-H380 AromaticContact CZ-CE1 3.86Å; Y311-H380 AromaticContact CZ-CG 3.41Å; Y311-H380 VanDerWaalsContact CZ-CG 3.41Å; Y311-H380 AromaticContact CZ-ND1 3.72Å; Y311-H380 AromaticContact CZ-NE2 3.68Å; Y311-H380 PolarHBondContact O-CE1 3.15Å; Y311-H380 VanDerWaalsContact OH-CB 3.28Å; Y311-H380 WeakPolarHBondContact OH-CB 3.37Å; Y311-H380 PolarHBondContact OH-CD2 3.37Å |
| 312 | L | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -87.3 | -20.9 | -174.9 | -64.8 | 177.6 | 0 | 0 | 0 | 114 | L174 V178 H190 L191 Y238 D308 F309 N310 | L174-L312 HydrophobicContact CB-CB 3.68Å; L174-L312 HydrophobicContact CB-CD1 3.63Å; L174-L312 HydrophobicContact CB-CG 4.31Å; L174-L312 HydrophobicContact CD1-CB 3.8Å; L174-L312 HydrophobicContact CG-CB 4.37Å; V178-L312 HydrophobicContact CB-CD1 4.37Å; V178-L312 HydrophobicContact CB-CD2 3.84Å; V178-L312 HydrophobicContact CG1-CD1 4.08Å; V178-L312 HydrophobicContact CG1-CD2 3.92Å; V178-L312 HydrophobicContact CG2-CD2 3.76Å; H190-L312 PolarHBondContact N-O 3.37Å; H190-L312 VanDerWaalsContact N-O 3.16Å; L191-L312 HydrophobicContact CD1-CB 4.17Å; L191-L312 HydrophobicContact CD1-CD2 4.17Å; L191-L312 PolarHBondContact N-O 3.41Å; Y238-L312 HydrophobicContact CE1-CD1 4Å; Y238-L312 HydrophobicContact CE1-CD2 3.89Å; Y238-L312 HydrophobicContact CE1-CG 4.04Å; Y238-L312 WeakPolarHBondContact OH-CD2 3.34Å; D308-L312 WeakPolarHBondContact O-CB 3.5Å; D308-L312 WeakPolarHBondContact O-CG 3.46Å; D308-L312 PolarHBondContact O-N 3.44Å; F309-L312 PolarHBondContact O-N 2.9Å; N310-L312 PolarHBondContact O-N 3.23Å |
| 313 | S | 97 | Very high | 98.4 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -104.2 | -18.1 | -176.5 | 75.5 | 0 | 0 | 0 | 0 | 114.3 | H190 M217 F309 | H190-S313 PolarHBondContact CD2-O 3.44Å; H190-S313 VanDerWaalsContact CD2-O 3.3Å; M217-S313 VanDerWaalsContact CE-OG 3.3Å; M217-S313 WeakPolarHBondContact CE-OG 3.42Å; F309-S313 WeakPolarHBondContact CE1-OG 3.34Å; F309-S313 WeakPolarHBondContact CZ-OG 3.38Å; F309-S313 WeakPolarHBondContact O-CB 3.29Å; F309-S313 PolarHBondContact O-N 3.33Å; F309-S313 PolarHBondContact O-OG 3.05Å |
| 314 | S | 97.6 | Very high | 98.4 | Very high | 9 Ų | 9 | 3.2 Ų | 3.2 | 6% | 0.063 | 2% | 0.02 | C | C | . | . | S | Bend | trans | -144.2 | -173.3 | -173 | 78.2 | 0 | 0 | 0 | 0 | 111.6 | N310 C316 | N310-S314 PolarHBondContact O-N 3.37Å; N310-S314 PolarHBondContact O-OG 2.96Å; S314-C316 VanDerWaalsContact C-N 3.28Å; S314-C316 WeakPolarHBondContact OG-CB 3.36Å; S314-C316 PolarHBondContact OG-N 2.71Å |
| 315 | N | 98.7 | Very high | 98.4 | Very high | 23 Ų | 23 | 5 Ų | 5 | 12% | 0.123 | 3% | 0.031 | C | C | . | . | S | Bend | trans | -79.5 | -8 | 169.9 | -68.7 | -32.3 | 0 | 0 | 0 | 113.6 | H190 F317 I382 T383 | H190-N315 PolarHBondContact CE1-OD1 2.83Å; N315-F317 WeakPolarHBondContact O-CD1 3.3Å; N315-F317 PolarHBondContact O-N 3.02Å; N315-I382 HydrophobicContact CB-CG2 4.48Å; N315-I382 VanDerWaalsContact OD1-CA 3.26Å; N315-I382 WeakPolarHBondContact OD1-CA 3.17Å; N315-I382 WeakPolarHBondContact OD1-CB 3.05Å; N315-T383 PolarHBondContact ND2-O 2.91Å; N315-T383 PolarHBondContact ND2-OG1 2.86Å; N315-T383 PolarHBondContact OD1-N 3.39Å; N315-T383 PolarHBondContact OD1-OG1 3.37Å |
| 316 | C | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.054 | C | C | . | . | trans | -79.8 | 125 | -166.5 | -170.6 | 0 | 0 | 0 | 0 | 112.3 | K88 F221 S224 N310 Y311 S314 | K88-C316 PolarHBondContact NZ-SG 2.92Å; F221-C316 HydrophobicContact CB-CB 3.78Å; F221-C316 VanDerWaalsContact O-CA 3.23Å; F221-C316 WeakPolarHBondContact O-CA 3.22Å; F221-C316 VanDerWaalsContact O-CB 3.3Å; F221-C316 WeakPolarHBondContact O-CB 3.49Å; F221-C316 PolarHBondContact O-N 2.59Å; S224-C316 WeakPolarHBondContact CB-SG 3.5Å; N310-C316 CarbonylContact C-O 3.46Å; N310-C316 VanDerWaalsContact C-O 3.31Å; N310-C316 HydrophobicContact CB-CB 4.32Å; Y311-C316 WeakPolarHBondContact CA-O 3.33Å; Y311-C316 PolarHBondContact N-O 2.88Å; S314-C316 VanDerWaalsContact C-N 3.28Å; S314-C316 WeakPolarHBondContact OG-CB 3.36Å; S314-C316 PolarHBondContact OG-N 2.71Å | ||
| 317 | F | 98.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 10.3 Ų | 10.3 | 1% | 0.009 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 114.4 | 171.8 | -75.1 | 32 | 0 | 0 | 0 | 107.5 | V222 L223 S224 D254 M257 F258 L261 Y311 N315 H380 L393 | V222-F317 PolarHBondContact O-N 3.44Å; L223-F317 CarbonylContact C-O 3.49Å; L223-F317 WeakPolarHBondContact CA-O 3.44Å; L223-F317 HydrophobicContact CD1-CB 4.27Å; L223-F317 WeakPolarHBondContact CD1-O 3.48Å; S224-F317 PolarHBondContact N-O 3.3Å; D254-F317 HydrophobicContact CB-CE2 3.68Å; D254-F317 HydrophobicContact CB-CZ 4.02Å; D254-F317 WeakPolarHBondContact OD2-CZ 3.42Å; M257-F317 HydrophobicContact CG-CE2 4.31Å; F258-F317 HydrophobicContact CE1-CB 3.87Å; F258-F317 HydrophobicContact CE1-CD2 4.08Å; F258-F317 HydrophobicContact CE1-CG 4.19Å; F258-F317 HydrophobicContact CE2-CD2 4.17Å; F258-F317 HydrophobicContact CE2-CE2 4.42Å; F258-F317 HydrophobicContact CZ-CB 4.01Å; F258-F317 AromaticContact CZ-CD2 3.82Å; F258-F317 HydrophobicContact CZ-CD2 3.82Å; F258-F317 HydrophobicContact CZ-CE2 4.47Å; F258-F317 AromaticContact CZ-CG 3.9Å; F258-F317 HydrophobicContact CZ-CG 3.9Å; L261-F317 HydrophobicContact CD1-CB 4.29Å; L261-F317 HydrophobicContact CD1-CD2 4.19Å; Y311-F317 AromaticContact CD2-CD1 3.79Å; Y311-F317 HydrophobicContact CD2-CD1 3.79Å; Y311-F317 AromaticContact CD2-CE1 3.78Å; Y311-F317 HydrophobicContact CD2-CE1 3.78Å; Y311-F317 HydrophobicContact CD2-CG 4.31Å; Y311-F317 HydrophobicContact CD2-CZ 4.3Å; Y311-F317 HydrophobicContact CE2-CD1 4Å; Y311-F317 AromaticContact CE2-CE1 3.55Å; Y311-F317 HydrophobicContact CE2-CE1 3.55Å; Y311-F317 HydrophobicContact CE2-CE2 4.18Å; Y311-F317 AromaticContact CE2-CZ 3.66Å; Y311-F317 HydrophobicContact CE2-CZ 3.66Å; N315-F317 WeakPolarHBondContact O-CD1 3.3Å; N315-F317 PolarHBondContact O-N 3.02Å; F317-H380 AromaticContact CE1-NE2 3.9Å; F317-L393 HydrophobicContact CB-CD1 3.99Å; F317-L393 HydrophobicContact CD2-CB 4.3Å; F317-L393 HydrophobicContact CD2-CD1 4.02Å; F317-L393 HydrophobicContact CE2-CB 4.23Å; F317-L393 HydrophobicContact CG-CD1 4.03Å |
| 318 | E | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 139.6 | 177.2 | -170 | 165.9 | 102.8 | 0 | 0 | 111.1 | K88 S224 N226 M306 Q307 N310 | K88-E318 IonicContact NZ-OE2 2.69Å; S224-E318 WeakPolarHBondContact CB-OE2 3.34Å; S224-E318 WeakPolarHBondContact O-CA 3.32Å; S224-E318 PolarHBondContact OG-OE2 3.16Å; N226-E318 PolarHBondContact ND2-OE1 3.3Å; M306-E318 WeakPolarHBondContact CE-OE1 3.19Å; Q307-E318 VanDerWaalsContact CG-O 3.27Å; Q307-E318 WeakPolarHBondContact CG-O 3.21Å; N310-E318 HydrophobicContact CB-CB 3.74Å; N310-E318 PolarHBondContact ND2-OE1 3.37Å; N310-E318 VanDerWaalsContact ND2-OE1 3.16Å; N310-E318 PolarHBondContact ND2-OE2 3.23Å |
| 319 | I | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 161.2 | 165.6 | 74.9 | 178 | 0 | 0 | 0 | 110.3 | S224 A225 N226 N235 F258 L321 Y348 | S224-I319 PolarHBondContact O-N 3.41Å; A225-I319 CarbonylContact C-O 3.37Å; A225-I319 WeakPolarHBondContact CA-O 3.39Å; A225-I319 HydrophobicContact CB-CG1 3.84Å; A225-I319 WeakPolarHBondContact CB-O 3.48Å; N226-I319 PolarHBondContact N-O 3.13Å; N235-I319 WeakPolarHBondContact O-CB 3.09Å; F258-I319 HydrophobicContact CD1-CG2 3.91Å; F258-I319 HydrophobicContact CE1-CG2 4.31Å; I319-L321 HydrophobicContact CD1-CD2 3.68Å; I319-L321 HydrophobicContact CD1-CG 4.27Å; I319-L321 HydrophobicContact CG1-CD2 4.12Å; I319-L321 HydrophobicContact CG1-CG 4.22Å; I319-Y348 HydrophobicContact CD1-CD2 4.22Å; I319-Y348 HydrophobicContact CD1-CE1 4.46Å; I319-Y348 HydrophobicContact CD1-CE2 3.31Å; I319-Y348 VanDerWaalsContact CD1-CZ 3.47Å; I319-Y348 WeakPolarHBondContact CD1-OH 3.41Å; I319-Y348 HydrophobicContact CG1-CE2 4.11Å; I319-Y348 VanDerWaalsContact CG1-OH 3.23Å; I319-Y348 WeakPolarHBondContact CG1-OH 3.42Å |
| 320 | T | 98.9 | Very high | 97.7 | Very high | 6 Ų | 6 | 15 Ų | 15 | 4% | 0.037 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 126.8 | 175.8 | -59.5 | 0 | 0 | 0 | 0 | 109.4 | N226 H228 N235 Q307 | N226-T320 PolarHBondContact ND2-OG1 2.82Å; N226-T320 CarbonylContact O-C 3.41Å; N226-T320 WeakPolarHBondContact O-CA 3.46Å; N226-T320 WeakPolarHBondContact OD1-CG2 3.42Å; N226-T320 PolarHBondContact OD1-OG1 2.86Å; H228-T320 HydrophobicContact CB-CG2 4.43Å; N235-T320 WeakPolarHBondContact CA-O 3.44Å; N235-T320 HydrophobicContact CB-CG2 4.46Å; N235-T320 WeakPolarHBondContact CB-O 3.28Å; N235-T320 PolarHBondContact N-O 2.8Å; N235-T320 PolarHBondContact O-N 3.41Å; Q307-T320 VanDerWaalsContact OE1-CB 3.23Å; Q307-T320 PolarHBondContact OE1-OG1 3.06Å |
| 321 | L | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 110 | -177.2 | -64.1 | 173 | 0 | 0 | 0 | 110.2 | Y89 A225 N226 L227 H228 A234 Y265 I319 L323 | Y89-L321 HydrophobicContact CE1-CD1 4.29Å; A225-L321 HydrophobicContact CB-CD1 3.6Å; A225-L321 HydrophobicContact CB-CG 3.98Å; N226-L321 PolarHBondContact O-N 3Å; L227-L321 HydrophobicContact CD1-CD1 4.41Å; L227-L321 HydrophobicContact CG-CD1 4.5Å; H228-L321 PolarHBondContact N-O 3.14Å; A234-L321 HydrophobicContact CB-CD2 3.77Å; Y265-L321 HydrophobicContact CD1-CD1 4.34Å; Y265-L321 HydrophobicContact CD1-CD2 3.69Å; Y265-L321 HydrophobicContact CD2-CD1 3.49Å; Y265-L321 VanDerWaalsContact CD2-CD1 3.49Å; Y265-L321 HydrophobicContact CD2-CD2 4.02Å; Y265-L321 HydrophobicContact CD2-CG 4.41Å; Y265-L321 HydrophobicContact CE1-CD1 4.27Å; Y265-L321 HydrophobicContact CE1-CD2 4.2Å; Y265-L321 HydrophobicContact CE2-CD1 3.42Å; Y265-L321 VanDerWaalsContact CE2-CD1 3.42Å; Y265-L321 HydrophobicContact CE2-CD2 4.49Å; Y265-L321 HydrophobicContact CG-CD1 3.97Å; Y265-L321 HydrophobicContact CG-CD2 3.58Å; Y265-L321 HydrophobicContact CG-CG 4.43Å; I319-L321 HydrophobicContact CD1-CD2 3.68Å; I319-L321 HydrophobicContact CD1-CG 4.27Å; I319-L321 HydrophobicContact CG1-CD2 4.12Å; I319-L321 HydrophobicContact CG1-CG 4.22Å; L321-L323 HydrophobicContact CB-CD2 3.8Å; L321-L323 HydrophobicContact CB-CG 4.43Å |
| 322 | E | 98.8 | Very high | 97.3 | Very high | 12 Ų | 12 | 27.5 Ų | 27.5 | 6% | 0.056 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 116.5 | 172.1 | -66.8 | -74.2 | 179.6 | 0 | 0 | 108.8 | H228 G229 G230 D231 V232 V233 M272 W299 | H228-E322 VanDerWaalsContact CB-CD 3.45Å; H228-E322 HydrophobicContact CB-CG 4.37Å; H228-E322 WeakPolarHBondContact CB-OE1 3.11Å; H228-E322 WeakPolarHBondContact CB-OE2 3.37Å; G229-E322 VanDerWaalsContact CA-OE2 3.3Å; G229-E322 WeakPolarHBondContact CA-OE2 3.27Å; G229-E322 PolarHBondContact N-OE2 2.76Å; G230-E322 PolarHBondContact N-OE2 3.16Å; D231-E322 HydrophobicContact CB-CB 4.2Å; D231-E322 HydrophobicContact CB-CG 4.42Å; D231-E322 CarbonylContact O-C 3.29Å; D231-E322 VanDerWaalsContact O-C 3.32Å; D231-E322 WeakPolarHBondContact O-CB 3.42Å; V232-E322 WeakPolarHBondContact CA-O 2.95Å; V233-E322 HydrophobicContact CG1-CB 3.98Å; V233-E322 HydrophobicContact CG1-CG 4.04Å; V233-E322 PolarHBondContact N-O 3.06Å; V233-E322 VanDerWaalsContact N-O 3.15Å; V233-E322 WeakPolarHBondContact O-CB 3.45Å; V233-E322 PolarHBondContact O-N 2.99Å; M272-E322 VanDerWaalsContact CE-O 3.26Å; M272-E322 WeakPolarHBondContact CE-O 3.41Å; W299-E322 HydrophobicContact CH2-CG 3.89Å; W299-E322 HydrophobicContact CZ3-CG 3.97Å |
| 323 | L | 98.5 | Very high | 97.3 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | -15.6 | -163.2 | -56.5 | -178.3 | 0 | 0 | 0 | 114.5 | V99 L103 L227 H228 D231 Y265 M272 L321 | V99-L323 HydrophobicContact CG1-CB 4.26Å; L103-L323 HydrophobicContact CD1-CD1 3.59Å; L227-L323 HydrophobicContact CB-CD1 3.91Å; L227-L323 HydrophobicContact CD2-CD1 3.69Å; L227-L323 HydrophobicContact CG-CD1 3.84Å; H228-L323 PolarHBondContact O-N 2.87Å; D231-L323 PolarHBondContact O-N 3.43Å; Y265-L323 HydrophobicContact CE1-CD2 3.96Å; M272-L323 HydrophobicContact CE-CD2 4.49Å; L321-L323 HydrophobicContact CB-CD2 3.8Å; L321-L323 HydrophobicContact CB-CG 4.43Å |
| 324 | S | 97.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.007 | 16% | 0.16 | C | C | . | . | trans | -159.7 | 136.7 | -172.8 | 60 | 0 | 0 | 0 | 0 | 111.9 | V99 G230 D231 D326 | V99-S324 VanDerWaalsContact CG2-OG 3.31Å; V99-S324 WeakPolarHBondContact CG2-OG 3.42Å; G230-S324 PolarHBondContact N-O 3.39Å; D231-S324 PolarHBondContact N-O 3.02Å; D231-S324 CarbonylContact O-C 3.54Å; D231-S324 VanDerWaalsContact O-C 3.24Å; D231-S324 PolarHBondContact O-N 3.47Å; S324-D326 WeakPolarHBondContact CB-O 3.37Å; S324-D326 PolarHBondContact OG-O 3.01Å | ||
| 325 | C | 95.2 | Very high | 97.3 | Very high | 42 Ų | 42 | 34.1 Ų | 34.1 | 28% | 0.284 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -60 | -46.2 | 171.6 | -61.1 | 0 | 0 | 0 | 0 | 112.2 | W155 C280 | W155-C325 WeakPolarHBondContact CH2-O 3.09Å; C280-C325 WeakPolarHBondContact CA-SG 3.48Å; C280-C325 HydrophobicContact CB-CB 3.48Å; C280-C325 VanDerWaalsContact CB-CB 3.48Å; C280-C325 WeakPolarHBondContact CB-SG 3.45Å; C280-C325 WeakPolarHBondContact SG-CA 3.43Å; C280-C325 WeakPolarHBondContact SG-CB 3.38Å; C280-C325 CovalentContact SG-SG 2.03Å; C280-C325 PolarHBondContact SG-SG 3.46Å |
| 326 | D | 95 | Very high | 97.3 | Very high | 98 Ų | 98 | 36 Ų | 36 | 52% | 0.524 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -80 | 125 | 172.7 | -69 | -35 | 0 | 0 | 0 | 108.8 | S324 F328 P329 | S324-D326 WeakPolarHBondContact CB-O 3.37Å; S324-D326 PolarHBondContact OG-O 3.01Å; D326-F328 VanDerWaalsContact C-N 3.34Å; D326-P329 HydrophobicContact CB-CB 4.08Å; D326-P329 WeakPolarHBondContact O-CD 3.15Å |
| 327 | K | 96.6 | Very high | 97.2 | Very high | 18 Ų | 18 | 37.1 Ų | 37.1 | 8% | 0.078 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -68 | -36.7 | -179.4 | -61.7 | -165.2 | 163 | -153.8 | 0 | 112.6 | N96 E97 A98 W155 G229 | N96-K327 CarbonylContact O-C 3.43Å; N96-K327 VanDerWaalsContact O-CB 3.31Å; N96-K327 WeakPolarHBondContact O-CB 3.48Å; E97-K327 WeakPolarHBondContact CA-O 3.49Å; E97-K327 HydrophobicContact CG-CB 4.08Å; E97-K327 HydrophobicContact CG-CD 3.77Å; E97-K327 HydrophobicContact CG-CG 4.07Å; E97-K327 IonicContact OE1-NZ 2.69Å; E97-K327 PolarHBondContact OE1-NZ 3.27Å; A98-K327 PolarHBondContact N-O 2.68Å; W155-K327 HydrophobicContact CD2-CD 4.02Å; W155-K327 HydrophobicContact CD2-CG 4.4Å; W155-K327 HydrophobicContact CE3-CD 4.31Å; W155-K327 HydrophobicContact CE3-CG 4.19Å; W155-K327 HydrophobicContact CH2-CD 4.27Å; W155-K327 HydrophobicContact CH2-CG 3.87Å; W155-K327 HydrophobicContact CZ2-CD 3.97Å; W155-K327 HydrophobicContact CZ2-CG 4.07Å; W155-K327 HydrophobicContact CZ3-CD 4.43Å; W155-K327 HydrophobicContact CZ3-CG 3.93Å; G229-K327 WeakPolarHBondContact O-CE 3.4Å |
| 328 | F | 97.4 | Very high | 97.2 | Very high | 22 Ų | 22 | 37.2 Ų | 37.2 | 10% | 0.096 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -135.3 | 72.4 | -177.7 | -151.3 | -59.2 | 0 | 0 | 0 | 109 | Y33 A98 F142 A145 A146 K153 D326 | Y33-F328 HydrophobicContact CD1-CE1 4.1Å; Y33-F328 HydrophobicContact CD1-CZ 4.13Å; Y33-F328 HydrophobicContact CD2-CD1 4.33Å; Y33-F328 AromaticContact CD2-CE1 3.47Å; Y33-F328 HydrophobicContact CD2-CE1 3.47Å; Y33-F328 VanDerWaalsContact CD2-CE1 3.47Å; Y33-F328 HydrophobicContact CD2-CZ 4.12Å; Y33-F328 HydrophobicContact CE1-CD1 4.38Å; Y33-F328 AromaticContact CE1-CE1 3.97Å; Y33-F328 HydrophobicContact CE1-CE1 3.97Å; Y33-F328 HydrophobicContact CE1-CZ 4.26Å; Y33-F328 AromaticContact CE2-CD1 3.71Å; Y33-F328 HydrophobicContact CE2-CD1 3.71Å; Y33-F328 AromaticContact CE2-CE1 3.3Å; Y33-F328 HydrophobicContact CE2-CE1 3.3Å; Y33-F328 HydrophobicContact CE2-CZ 4.25Å; Y33-F328 AromaticContact CG-CE1 3.88Å; Y33-F328 HydrophobicContact CG-CE1 3.88Å; Y33-F328 HydrophobicContact CG-CZ 4.07Å; Y33-F328 AromaticContact CZ-CD1 3.73Å; Y33-F328 AromaticContact CZ-CE1 3.56Å; A98-F328 HydrophobicContact CB-CD1 4.42Å; A98-F328 HydrophobicContact CB-CD2 3.56Å; A98-F328 HydrophobicContact CB-CE1 4.48Å; A98-F328 HydrophobicContact CB-CE2 3.63Å; A98-F328 HydrophobicContact CB-CG 3.97Å; A98-F328 HydrophobicContact CB-CZ 4.1Å; F142-F328 HydrophobicContact CD2-CE2 4.3Å; F142-F328 AromaticContact CE2-CE2 3.89Å; F142-F328 HydrophobicContact CE2-CE2 3.89Å; F142-F328 HydrophobicContact CE2-CZ 4.08Å; F142-F328 HydrophobicContact CZ-CE2 4.46Å; F142-F328 HydrophobicContact CZ-CZ 4.26Å; A145-F328 HydrophobicContact CB-CD2 4.04Å; A145-F328 HydrophobicContact CB-CE2 3.96Å; A146-F328 HydrophobicContact CB-CE2 4.32Å; A146-F328 HydrophobicContact CB-CZ 3.97Å; K153-F328 HydrophobicContact CB-CB 4.14Å; K153-F328 HydrophobicContact CG-CB 3.9Å; K153-F328 HydrophobicContact CG-CD1 4Å; K153-F328 HydrophobicContact CG-CG 3.97Å; D326-F328 VanDerWaalsContact C-N 3.34Å |
| 329 | P | 95.9 | Very high | 97.2 | Very high | 9 Ų | 9 | 42 Ų | 42 | 6% | 0.058 | 21% | 0.208 | C | C | . | . | trans | -65.9 | 173.3 | -177.6 | 28.1 | -35.1 | 0 | 0 | 0 | 112.2 | Y33 V99 D326 M333 Y337 | Y33-P329 VanDerWaalsContact CE2-O 3.3Å; Y33-P329 WeakPolarHBondContact CE2-O 3.39Å; Y33-P329 WeakPolarHBondContact OH-CD 3.33Å; Y33-P329 WeakPolarHBondContact OH-CG 3.45Å; Y33-P329 PolarHBondContact OH-O 3.21Å; V99-P329 HydrophobicContact CG2-CG 3.51Å; D326-P329 HydrophobicContact CB-CB 4.08Å; D326-P329 WeakPolarHBondContact O-CD 3.15Å; P329-M333 HydrophobicContact CB-CB 4.3Å; P329-Y337 HydrophobicContact CB-CE2 3.97Å; P329-Y337 HydrophobicContact CG-CD2 4.22Å; P329-Y337 HydrophobicContact CG-CE2 3.61Å | ||
| 330 | N | 94.9 | Very high | 97.2 | Very high | 72 Ų | 72 | 43.6 Ų | 43.6 | 39% | 0.385 | 22% | 0.215 | S | C | . | . | trans | -65.7 | 144.2 | 170.9 | -170.8 | -57.2 | 0 | 0 | 0 | 110.4 | E332 M333 | N330-E332 PolarHBondContact O-N 3.24Å; N330-E332 VanDerWaalsContact O-N 3.14Å; N330-E332 WeakPolarHBondContact OD1-CG 3.3Å; N330-E332 PolarHBondContact OD1-N 3.11Å; N330-M333 WeakPolarHBondContact O-CB 3.34Å; N330-M333 PolarHBondContact O-N 3.15Å | ||
| 331 | E | 94.4 | Very high | 97.2 | Very high | 91 Ų | 91 | 43.3 Ų | 43.3 | 43% | 0.425 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -52.6 | -33.6 | 178.6 | -72.1 | -179.7 | 172.6 | 0 | 0 | 113.4 | Y33 M333 L334 | Y33-E331 HydrophobicContact CD2-CG 3.31Å; Y33-E331 HydrophobicContact CE2-CG 3.71Å; Y33-E331 HydrophobicContact CG-CG 4.24Å; Y33-E331 PolarHBondContact N-OE1 2.86Å; E331-M333 PolarHBondContact O-N 2.69Å; E331-L334 HydrophobicContact CB-CD1 4.25Å; E331-L334 HydrophobicContact CG-CD1 4.22Å; E331-L334 VanDerWaalsContact O-CB 3.3Å; E331-L334 WeakPolarHBondContact O-CB 3.24Å; E331-L334 WeakPolarHBondContact O-CG 3.39Å; E331-L334 PolarHBondContact O-N 3.04Å |
| 332 | E | 95 | Very high | 97.1 | Very high | 170 Ų | 170 | 46.2 Ų | 46.2 | 79% | 0.794 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -57.1 | -24.5 | 176.8 | -66.5 | -178.3 | -178.6 | 0 | 0 | 113 | N330 | N330-E332 PolarHBondContact O-N 3.24Å; N330-E332 VanDerWaalsContact O-N 3.14Å; N330-E332 WeakPolarHBondContact OD1-CG 3.3Å; N330-E332 PolarHBondContact OD1-N 3.11Å |
| 333 | M | 96.8 | Very high | 97.1 | Very high | 79 Ų | 79 | 49.2 Ų | 49.2 | 39% | 0.389 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -82.9 | -16.9 | 178.5 | -62 | -59.3 | -61.4 | 0 | 0 | 113.5 | P329 N330 E331 K335 N336 Y337 | P329-M333 HydrophobicContact CB-CB 4.3Å; N330-M333 WeakPolarHBondContact O-CB 3.34Å; N330-M333 PolarHBondContact O-N 3.15Å; E331-M333 PolarHBondContact O-N 2.69Å; M333-K335 VanDerWaalsContact C-N 3.3Å; M333-K335 PolarHBondContact O-N 3.15Å; M333-N336 WeakPolarHBondContact O-CB 3.35Å; M333-N336 PolarHBondContact O-N 3.35Å; M333-Y337 HydrophobicContact CB-CD2 3.96Å; M333-Y337 HydrophobicContact CB-CE2 3.73Å; M333-Y337 VanDerWaalsContact O-CD2 3.27Å; M333-Y337 WeakPolarHBondContact O-CD2 3.47Å; M333-Y337 PolarHBondContact O-N 2.81Å |
| 334 | L | 97.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.7 | -38.6 | -173 | -68.5 | 174.4 | 0 | 0 | 0 | 112.3 | F31 Y33 E102 Y106 E331 N336 Y337 W338 | F31-L334 HydrophobicContact CB-CB 4.26Å; Y33-L334 HydrophobicContact CD1-CD1 4.33Å; Y33-L334 HydrophobicContact CD2-CD1 4.41Å; Y33-L334 HydrophobicContact CE1-CD1 4.22Å; Y33-L334 HydrophobicContact CE1-CD2 3.9Å; Y33-L334 HydrophobicContact CE2-CD1 4.31Å; Y33-L334 HydrophobicContact CG-CD1 4.4Å; E102-L334 HydrophobicContact CB-CD2 4.27Å; E102-L334 HydrophobicContact CG-CD1 4.39Å; E102-L334 HydrophobicContact CG-CD2 4.2Å; Y106-L334 HydrophobicContact CE2-CB 4.4Å; E331-L334 HydrophobicContact CB-CD1 4.25Å; E331-L334 HydrophobicContact CG-CD1 4.22Å; E331-L334 VanDerWaalsContact O-CB 3.3Å; E331-L334 WeakPolarHBondContact O-CB 3.24Å; E331-L334 WeakPolarHBondContact O-CG 3.39Å; E331-L334 PolarHBondContact O-N 3.04Å; L334-N336 VanDerWaalsContact C-N 3.35Å; L334-N336 PolarHBondContact O-N 2.74Å; L334-Y337 PolarHBondContact O-N 3.42Å; L334-W338 PolarHBondContact O-N 3Å |
| 335 | K | 97.4 | Very high | 97.2 | Very high | 68 Ų | 68 | 49.1 Ų | 49.1 | 30% | 0.296 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61 | -44.1 | 174.8 | -179.1 | 175.3 | 176.1 | 177.4 | 0 | 112 | G24 F31 M333 W338 E339 | G24-K335 PolarHBondContact O-NZ 3.04Å; F31-K335 HydrophobicContact CB-CB 4.43Å; F31-K335 HydrophobicContact CD1-CB 4.06Å; F31-K335 HydrophobicContact CD2-CB 3.89Å; F31-K335 HydrophobicContact CD2-CD 4.31Å; F31-K335 HydrophobicContact CD2-CG 4.11Å; F31-K335 HydrophobicContact CE1-CB 4.29Å; F31-K335 HydrophobicContact CE1-CG 4.42Å; F31-K335 HydrophobicContact CE2-CB 4.13Å; F31-K335 HydrophobicContact CE2-CD 4.1Å; F31-K335 HydrophobicContact CE2-CG 3.85Å; F31-K335 HydrophobicContact CG-CB 3.86Å; F31-K335 HydrophobicContact CG-CG 4.49Å; F31-K335 HydrophobicContact CZ-CB 4.32Å; F31-K335 HydrophobicContact CZ-CG 4.02Å; M333-K335 VanDerWaalsContact C-N 3.3Å; M333-K335 PolarHBondContact O-N 3.15Å; K335-W338 WeakPolarHBondContact O-CB 3.34Å; K335-W338 PolarHBondContact O-N 3.47Å; K335-E339 WeakPolarHBondContact CE-OE1 3.45Å; K335-E339 IonicContact NZ-OE1 3.43Å; K335-E339 WeakPolarHBondContact O-CG 3.35Å; K335-E339 PolarHBondContact O-N 3.45Å |
| 336 | N | 97.9 | Very high | 97.4 | Very high | 61 Ų | 61 | 47.7 Ų | 47.7 | 33% | 0.326 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.3 | -41.8 | 178.8 | 172.8 | 75.3 | 0 | 0 | 0 | 111.2 | M333 L334 W338 E339 Q340 | M333-N336 WeakPolarHBondContact O-CB 3.35Å; M333-N336 PolarHBondContact O-N 3.35Å; L334-N336 VanDerWaalsContact C-N 3.35Å; L334-N336 PolarHBondContact O-N 2.74Å; N336-W338 VanDerWaalsContact C-N 3.31Å; N336-W338 PolarHBondContact O-N 3.27Å; N336-E339 PolarHBondContact O-N 3.32Å; N336-Q340 PolarHBondContact ND2-NE2 3.41Å; N336-Q340 VanDerWaalsContact O-CG 3.22Å; N336-Q340 WeakPolarHBondContact O-CG 3.42Å; N336-Q340 PolarHBondContact O-N 3.4Å; N336-Q340 PolarHBondContact OD1-NE2 3.29Å |
| 337 | Y | 98.5 | Very high | 97.6 | Very high | 25 Ų | 25 | 44 Ų | 44 | 10% | 0.098 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62 | -38.5 | 173.8 | -75.7 | -62.8 | 0 | 0 | 0 | 112.5 | V99 P329 M333 L334 Q340 N341 | V99-Y337 HydrophobicContact CG1-CD1 4.22Å; V99-Y337 HydrophobicContact CG1-CD2 4.31Å; V99-Y337 HydrophobicContact CG1-CG 3.9Å; V99-Y337 HydrophobicContact CG2-CD2 4.16Å; V99-Y337 HydrophobicContact CG2-CE2 4.26Å; P329-Y337 HydrophobicContact CB-CE2 3.97Å; P329-Y337 HydrophobicContact CG-CD2 4.22Å; P329-Y337 HydrophobicContact CG-CE2 3.61Å; M333-Y337 HydrophobicContact CB-CD2 3.96Å; M333-Y337 HydrophobicContact CB-CE2 3.73Å; M333-Y337 VanDerWaalsContact O-CD2 3.27Å; M333-Y337 WeakPolarHBondContact O-CD2 3.47Å; M333-Y337 PolarHBondContact O-N 2.81Å; L334-Y337 PolarHBondContact O-N 3.42Å; Y337-Q340 PolarHBondContact O-N 3.19Å; Y337-N341 WeakPolarHBondContact O-CB 3.45Å; Y337-N341 PolarHBondContact O-N 3.25Å; Y337-N341 VanDerWaalsContact O-N 3.11Å; Y337-N341 PolarHBondContact O-ND2 3.09Å |
| 338 | W | 98.6 | Very high | 97.7 | Very high | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.015 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.6 | -50.5 | 173.3 | 170 | -112.2 | 0 | 0 | 0 | 112 | I29 F31 L103 Y106 L107 Y110 L334 K335 N336 Q340 N341 R342 L345 | I29-W338 HydrophobicContact CD1-CZ2 4.24Å; F31-W338 HydrophobicContact CD1-CB 4.46Å; F31-W338 HydrophobicContact CE1-CB 3.68Å; F31-W338 AromaticContact CE1-CD1 3.67Å; F31-W338 AromaticContact CE1-CG 3.75Å; F31-W338 HydrophobicContact CE1-CG 3.75Å; F31-W338 HydrophobicContact CZ-CB 4.48Å; F31-W338 AromaticContact CZ-CD1 3.68Å; F31-W338 HydrophobicContact CZ-CG 4.24Å; L103-W338 VanDerWaalsContact CD2-CA 3.47Å; L103-W338 HydrophobicContact CD2-CB 4.07Å; L103-W338 HydrophobicContact CD2-CE3 3.92Å; Y106-W338 HydrophobicContact CD2-CB 4.1Å; Y106-W338 HydrophobicContact CD2-CD2 4.42Å; Y106-W338 HydrophobicContact CD2-CE3 4.27Å; Y106-W338 HydrophobicContact CD2-CG 4.37Å; Y106-W338 HydrophobicContact CG-CE3 4.44Å; L107-W338 HydrophobicContact CB-CH2 4.43Å; L107-W338 HydrophobicContact CB-CZ3 4.18Å; L107-W338 HydrophobicContact CD1-CH2 4.47Å; Y110-W338 HydrophobicContact CD1-CH2 4.27Å; Y110-W338 HydrophobicContact CD1-CZ2 4.39Å; Y110-W338 AromaticContact CD2-CZ2 3.88Å; Y110-W338 HydrophobicContact CD2-CZ2 3.88Å; Y110-W338 AromaticContact CG-CH2 3.9Å; Y110-W338 HydrophobicContact CG-CH2 3.9Å; Y110-W338 AromaticContact CG-CZ2 3.69Å; Y110-W338 HydrophobicContact CG-CZ2 3.69Å; L334-W338 PolarHBondContact O-N 3Å; K335-W338 WeakPolarHBondContact O-CB 3.34Å; K335-W338 PolarHBondContact O-N 3.47Å; N336-W338 VanDerWaalsContact C-N 3.31Å; N336-W338 PolarHBondContact O-N 3.27Å; W338-Q340 PolarHBondContact O-N 3.32Å; W338-N341 PolarHBondContact O-N 3.21Å; W338-N341 VanDerWaalsContact O-N 3.12Å; W338-R342 HydrophobicContact CD2-CB 4.2Å; W338-R342 HydrophobicContact CE3-CB 4.32Å; W338-R342 HydrophobicContact CH2-CB 3.97Å; W338-R342 HydrophobicContact CH2-CG 3.66Å; W338-R342 HydrophobicContact CZ2-CB 3.84Å; W338-R342 HydrophobicContact CZ2-CG 3.44Å; W338-R342 VanDerWaalsContact CZ2-CG 3.44Å; W338-R342 HydrophobicContact CZ3-CB 4.21Å; W338-R342 HydrophobicContact CZ3-CG 4.38Å; W338-R342 WeakPolarHBondContact O-CB 3.26Å; W338-R342 PolarHBondContact O-N 3.47Å; W338-L345 HydrophobicContact CZ3-CD1 4.12Å |
| 339 | E | 98.2 | Very high | 97.7 | Very high | 101 Ų | 101 | 42.1 Ų | 42.1 | 47% | 0.472 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.5 | -34.6 | 179.3 | -71.7 | 174.6 | 172.1 | 0 | 0 | 112.5 | K335 N336 | K335-E339 WeakPolarHBondContact CE-OE1 3.45Å; K335-E339 IonicContact NZ-OE1 3.43Å; K335-E339 WeakPolarHBondContact O-CG 3.35Å; K335-E339 PolarHBondContact O-N 3.45Å; N336-E339 PolarHBondContact O-N 3.32Å |
| 340 | Q | 98.3 | Very high | 97.9 | Very high | 33 Ų | 33 | 44.8 Ų | 44.8 | 15% | 0.154 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -73.8 | -27.6 | 177.1 | -69.5 | 174.8 | 2.1 | 0 | 0 | 113.9 | P270 V271 N336 Y337 W338 | P270-Q340 WeakPolarHBondContact CD-O 3.32Å; P270-Q340 HydrophobicContact CG-CB 4.31Å; P270-Q340 HydrophobicContact CG-CG 4.06Å; V271-Q340 HydrophobicContact CG2-CG 4.39Å; N336-Q340 PolarHBondContact ND2-NE2 3.41Å; N336-Q340 VanDerWaalsContact O-CG 3.22Å; N336-Q340 WeakPolarHBondContact O-CG 3.42Å; N336-Q340 PolarHBondContact O-N 3.4Å; N336-Q340 PolarHBondContact OD1-NE2 3.29Å; Y337-Q340 PolarHBondContact O-N 3.19Å; W338-Q340 PolarHBondContact O-N 3.32Å |
| 341 | N | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -109.4 | -21.6 | -171.3 | -73.4 | -80.4 | 0 | 0 | 0 | 114.2 | L103 Y265 N269 Y337 W338 D343 S344 L345 | L103-N341 HydrophobicContact CD1-CB 3.93Å; L103-N341 HydrophobicContact CD2-CB 4.31Å; Y265-N341 PolarHBondContact OH-OD1 3.31Å; N269-N341 PolarHBondContact ND2-OD1 3.08Å; Y337-N341 WeakPolarHBondContact O-CB 3.45Å; Y337-N341 PolarHBondContact O-N 3.25Å; Y337-N341 VanDerWaalsContact O-N 3.11Å; Y337-N341 PolarHBondContact O-ND2 3.09Å; W338-N341 PolarHBondContact O-N 3.21Å; W338-N341 VanDerWaalsContact O-N 3.12Å; N341-D343 VanDerWaalsContact C-N 3.35Å; N341-D343 PolarHBondContact O-N 3.11Å; N341-S344 WeakPolarHBondContact O-CA 3.11Å; N341-S344 WeakPolarHBondContact O-CB 3.49Å; N341-S344 PolarHBondContact O-N 3.24Å; N341-L345 HydrophobicContact CB-CD1 4.11Å; N341-L345 HydrophobicContact CB-CG 4.4Å; N341-L345 WeakPolarHBondContact O-CG 3.33Å; N341-L345 PolarHBondContact O-N 2.89Å |
| 342 | R | 98.5 | Very high | 98.2 | Very high | 61 Ų | 61 | 37.4 Ų | 37.4 | 23% | 0.23 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -48.5 | -53.6 | -174.7 | 177.6 | -168.9 | 72.3 | -161.9 | -10.1 | 112.6 | E26 Y110 W338 S344 L345 V346 | E26-R342 IonicContact OE1-NH1 3.84Å; E26-R342 PolarHBondContact OE1-NH1 3.33Å; Y110-R342 HydrophobicContact CD1-CG 4.47Å; Y110-R342 HydrophobicContact CE1-CG 4.26Å; Y110-R342 HydrophobicContact CE2-CG 4.41Å; W338-R342 HydrophobicContact CD2-CB 4.2Å; W338-R342 HydrophobicContact CE3-CB 4.32Å; W338-R342 HydrophobicContact CH2-CB 3.97Å; W338-R342 HydrophobicContact CH2-CG 3.66Å; W338-R342 HydrophobicContact CZ2-CB 3.84Å; W338-R342 HydrophobicContact CZ2-CG 3.44Å; W338-R342 VanDerWaalsContact CZ2-CG 3.44Å; W338-R342 HydrophobicContact CZ3-CB 4.21Å; W338-R342 HydrophobicContact CZ3-CG 4.38Å; W338-R342 WeakPolarHBondContact O-CB 3.26Å; W338-R342 PolarHBondContact O-N 3.47Å; R342-S344 VanDerWaalsContact C-N 3.3Å; R342-S344 PolarHBondContact O-N 3.01Å; R342-L345 PolarHBondContact O-N 3.47Å; R342-V346 WeakPolarHBondContact O-CG2 3.43Å; R342-V346 PolarHBondContact O-N 3.4Å; R342-V346 VanDerWaalsContact O-N 3.16Å |
| 343 | D | 98.4 | Very high | 98.4 | Very high | 75 Ų | 75 | 30.8 Ų | 30.8 | 40% | 0.401 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -70.5 | -31.8 | -175.2 | -60.8 | -7.7 | 0 | 0 | 0 | 110.9 | F268 N341 N347 | F268-D343 HydrophobicContact CD1-CB 4.3Å; N341-D343 VanDerWaalsContact C-N 3.35Å; N341-D343 PolarHBondContact O-N 3.11Å; D343-N347 WeakPolarHBondContact O-CB 3.22Å; D343-N347 PolarHBondContact O-N 2.88Å |
| 344 | S | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.5 | -43.2 | 174.3 | -54.5 | 0 | 0 | 0 | 0 | 111.9 | Y265 F268 N269 N341 R342 Y348 | Y265-S344 PolarHBondContact O-OG 2.81Å; F268-S344 VanDerWaalsContact CB-OG 3.3Å; F268-S344 WeakPolarHBondContact CB-OG 3.46Å; F268-S344 PolarHBondContact O-OG 3.39Å; N269-S344 WeakPolarHBondContact CA-OG 3.44Å; N269-S344 PolarHBondContact N-OG 2.85Å; N341-S344 WeakPolarHBondContact O-CA 3.11Å; N341-S344 WeakPolarHBondContact O-CB 3.49Å; N341-S344 PolarHBondContact O-N 3.24Å; R342-S344 VanDerWaalsContact C-N 3.3Å; R342-S344 PolarHBondContact O-N 3.01Å; S344-Y348 VanDerWaalsContact O-CB 3.24Å; S344-Y348 WeakPolarHBondContact O-CB 3.46Å; S344-Y348 PolarHBondContact O-N 3.38Å |
| 345 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.6 | -46.5 | 179.7 | -73.8 | 163.5 | 0 | 0 | 0 | 111.2 | Y89 L103 L107 L227 Y265 W338 N341 R342 I349 | Y89-L345 HydrophobicContact CE1-CD2 4.22Å; Y89-L345 HydrophobicContact CE2-CB 4.45Å; Y89-L345 HydrophobicContact CE2-CD2 3.85Å; Y89-L345 WeakPolarHBondContact OH-CA 3.45Å; Y89-L345 PolarHBondContact OH-O 3.17Å; L103-L345 HydrophobicContact CB-CD1 4.2Å; L107-L345 HydrophobicContact CD1-CB 4.2Å; L107-L345 HydrophobicContact CD2-CB 4.21Å; L227-L345 HydrophobicContact CD2-CD2 4.21Å; Y265-L345 HydrophobicContact CE2-CD2 3.92Å; Y265-L345 HydrophobicContact CE2-CG 4.12Å; W338-L345 HydrophobicContact CZ3-CD1 4.12Å; N341-L345 HydrophobicContact CB-CD1 4.11Å; N341-L345 HydrophobicContact CB-CG 4.4Å; N341-L345 WeakPolarHBondContact O-CG 3.33Å; N341-L345 PolarHBondContact O-N 2.89Å; R342-L345 PolarHBondContact O-N 3.47Å; L345-I349 WeakPolarHBondContact O-CG1 3.15Å; L345-I349 PolarHBondContact O-N 3.42Å |
| 346 | V | 98.8 | Very high | 98.6 | Very high | 13 Ų | 13 | 24 Ų | 24 | 8% | 0.079 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67.1 | -51.1 | 177.9 | 176.8 | 0 | 0 | 0 | 0 | 110.8 | L107 Y110 I122 L125 R342 Y348 I349 E350 | L107-V346 HydrophobicContact CD1-CG2 4.1Å; Y110-V346 HydrophobicContact CD1-CG2 4.42Å; Y110-V346 HydrophobicContact CE1-CG2 3.99Å; I122-V346 HydrophobicContact CD1-CG1 3.93Å; L125-V346 HydrophobicContact CD2-CG1 4.14Å; R342-V346 WeakPolarHBondContact O-CG2 3.43Å; R342-V346 PolarHBondContact O-N 3.4Å; R342-V346 VanDerWaalsContact O-N 3.16Å; V346-Y348 PolarHBondContact O-N 2.94Å; V346-I349 PolarHBondContact O-N 2.7Å; V346-I349 VanDerWaalsContact O-N 3.09Å; V346-E350 PolarHBondContact O-N 2.74Å |
| 347 | N | 98.7 | Very high | 98.6 | Very high | 21 Ų | 21 | 23.8 Ų | 23.8 | 11% | 0.112 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.6 | -32.6 | 179.9 | 177.5 | 74.2 | 0 | 0 | 0 | 112.3 | A264 F268 D343 E350 Q351 | A264-N347 PolarHBondContact O-ND2 2.92Å; F268-N347 HydrophobicContact CD2-CB 4.4Å; F268-N347 HydrophobicContact CG-CB 4.42Å; D343-N347 WeakPolarHBondContact O-CB 3.22Å; D343-N347 PolarHBondContact O-N 2.88Å; N347-E350 WeakPolarHBondContact O-CB 3.47Å; N347-E350 PolarHBondContact O-N 2.91Å; N347-Q351 WeakPolarHBondContact O-CG 3.33Å; N347-Q351 PolarHBondContact O-N 3.33Å; N347-Q351 PolarHBondContact O-NE2 3Å |
| 348 | Y | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -71.6 | -36.4 | 178.3 | -170.8 | -97 | 0 | 0 | 0 | 113 | F87 Y89 L223 S224 A225 L261 Y265 I319 S344 V346 E350 Q351 | F87-Y348 AromaticContact CE2-CD1 3.87Å; F87-Y348 HydrophobicContact CE2-CD1 3.87Å; F87-Y348 AromaticContact CE2-CE1 3.97Å; F87-Y348 HydrophobicContact CE2-CE1 3.97Å; F87-Y348 HydrophobicContact CZ-CD1 4.02Å; F87-Y348 HydrophobicContact CZ-CE1 4.34Å; Y89-Y348 AromaticContact CE1-CD1 3.97Å; Y89-Y348 HydrophobicContact CE1-CD1 3.97Å; Y89-Y348 HydrophobicContact CE1-CE1 4.47Å; Y89-Y348 AromaticContact CZ-CD1 3.95Å; Y89-Y348 WeakPolarHBondContact OH-CB 2.94Å; Y89-Y348 WeakPolarHBondContact OH-CD1 3.3Å; L223-Y348 HydrophobicContact CD1-CE1 4.29Å; L223-Y348 WeakPolarHBondContact CD1-OH 3.48Å; L223-Y348 HydrophobicContact CD2-CD1 4.45Å; L223-Y348 HydrophobicContact CD2-CE1 4.03Å; L223-Y348 WeakPolarHBondContact CD2-O 3.47Å; L223-Y348 HydrophobicContact CG-CE1 3.99Å; S224-Y348 PolarHBondContact O-OH 2.78Å; S224-Y348 VanDerWaalsContact O-OH 3.06Å; A225-Y348 HydrophobicContact CB-CD1 4.38Å; A225-Y348 HydrophobicContact CB-CE1 3.76Å; L261-Y348 HydrophobicContact CB-CE2 4.11Å; L261-Y348 WeakPolarHBondContact O-CE2 3.41Å; Y265-Y348 HydrophobicContact CD2-CD2 4.46Å; Y265-Y348 HydrophobicContact CD2-CG 4.2Å; I319-Y348 HydrophobicContact CD1-CD2 4.22Å; I319-Y348 HydrophobicContact CD1-CE1 4.46Å; I319-Y348 HydrophobicContact CD1-CE2 3.31Å; I319-Y348 VanDerWaalsContact CD1-CZ 3.47Å; I319-Y348 WeakPolarHBondContact CD1-OH 3.41Å; I319-Y348 HydrophobicContact CG1-CE2 4.11Å; I319-Y348 VanDerWaalsContact CG1-OH 3.23Å; I319-Y348 WeakPolarHBondContact CG1-OH 3.42Å; S344-Y348 VanDerWaalsContact O-CB 3.24Å; S344-Y348 WeakPolarHBondContact O-CB 3.46Å; S344-Y348 PolarHBondContact O-N 3.38Å; V346-Y348 PolarHBondContact O-N 2.94Å; Y348-E350 VanDerWaalsContact C-N 3.27Å; Y348-E350 PolarHBondContact O-N 3.16Å; Y348-Q351 WeakPolarHBondContact O-CB 3.24Å; Y348-Q351 PolarHBondContact O-N 2.82Å; Y348-Q351 VanDerWaalsContact O-N 3.09Å |
| 349 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.9 | -41.9 | 172.7 | -58.7 | 164.5 | 0 | 0 | 0 | 109.9 | F87 Y89 L107 L125 T129 I131 L345 V346 Q351 T352 | F87-I349 HydrophobicContact CD1-CG1 3.99Å; F87-I349 HydrophobicContact CD1-CG2 4.11Å; F87-I349 HydrophobicContact CD2-CG2 4.46Å; F87-I349 HydrophobicContact CE1-CB 4.47Å; F87-I349 HydrophobicContact CE1-CD1 4.43Å; F87-I349 HydrophobicContact CE1-CG1 3.59Å; F87-I349 HydrophobicContact CE2-CG1 4.33Å; F87-I349 HydrophobicContact CG-CG2 4.08Å; F87-I349 HydrophobicContact CZ-CB 4.49Å; F87-I349 HydrophobicContact CZ-CG1 3.78Å; Y89-I349 HydrophobicContact CE2-CD1 4.11Å; Y89-I349 HydrophobicContact CE2-CG1 3.83Å; L107-I349 HydrophobicContact CD2-CD1 4.28Å; L125-I349 HydrophobicContact CD1-CB 4.33Å; L125-I349 HydrophobicContact CD1-CG2 3.79Å; L125-I349 HydrophobicContact CD2-CB 4.27Å; L125-I349 HydrophobicContact CD2-CD1 4.41Å; L125-I349 HydrophobicContact CD2-CG2 4.14Å; L125-I349 HydrophobicContact CG-CG2 4.15Å; T129-I349 HydrophobicContact CG2-CG2 4.26Å; I131-I349 HydrophobicContact CD1-CD1 4.47Å; I131-I349 HydrophobicContact CD1-CG2 4Å; I131-I349 HydrophobicContact CG1-CG2 4.04Å; L345-I349 WeakPolarHBondContact O-CG1 3.15Å; L345-I349 PolarHBondContact O-N 3.42Å; V346-I349 PolarHBondContact O-N 2.7Å; V346-I349 VanDerWaalsContact O-N 3.09Å; I349-Q351 PolarHBondContact O-N 3.41Å; I349-Q351 VanDerWaalsContact O-N 3.12Å; I349-T352 VanDerWaalsContact O-CB 3.3Å; I349-T352 WeakPolarHBondContact O-CB 3.38Å; I349-T352 PolarHBondContact O-N 3.05Å; I349-T352 VanDerWaalsContact O-N 3.09Å; I349-T352 PolarHBondContact O-OG1 3.35Å |
| 350 | E | 98.5 | Very high | 98.7 | Very high | 64 Ų | 64 | 18.8 Ų | 18.8 | 30% | 0.299 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -59.3 | -24.9 | 178 | -64.7 | 176 | 177.2 | 0 | 0 | 113 | L125 V346 N347 Y348 T352 H353 | L125-E350 HydrophobicContact CD1-CG 3.85Å; V346-E350 PolarHBondContact O-N 2.74Å; N347-E350 WeakPolarHBondContact O-CB 3.47Å; N347-E350 PolarHBondContact O-N 2.91Å; Y348-E350 VanDerWaalsContact C-N 3.27Å; Y348-E350 PolarHBondContact O-N 3.16Å; E350-T352 PolarHBondContact O-N 2.98Å; E350-T352 VanDerWaalsContact O-N 3.17Å; E350-H353 PolarHBondContact O-N 2.95Å; E350-H353 VanDerWaalsContact O-N 3.11Å |
| 351 | Q | 98.7 | Very high | 98.7 | Very high | 7 Ų | 7 | 21.6 Ų | 21.6 | 3% | 0.033 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -67 | -16.3 | 179.5 | -52.5 | -52.6 | -65.3 | 0 | 0 | 113.1 | L223 L261 A264 N347 Y348 I349 H353 R354 | L223-Q351 HydrophobicContact CD2-CB 3.76Å; L261-Q351 HydrophobicContact CD2-CB 3.69Å; L261-Q351 HydrophobicContact CD2-CG 4.33Å; A264-Q351 HydrophobicContact CB-CG 3.56Å; N347-Q351 WeakPolarHBondContact O-CG 3.33Å; N347-Q351 PolarHBondContact O-N 3.33Å; N347-Q351 PolarHBondContact O-NE2 3Å; Y348-Q351 WeakPolarHBondContact O-CB 3.24Å; Y348-Q351 PolarHBondContact O-N 2.82Å; Y348-Q351 VanDerWaalsContact O-N 3.09Å; I349-Q351 PolarHBondContact O-N 3.41Å; I349-Q351 VanDerWaalsContact O-N 3.12Å; Q351-H353 PolarHBondContact O-N 3.45Å; Q351-R354 WeakPolarHBondContact O-CB 3.21Å; Q351-R354 PolarHBondContact O-N 3.03Å |
| 352 | T | 98.6 | Very high | 98.6 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.012 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -60.1 | -22.9 | 173.2 | -43.6 | 0 | 0 | 0 | 0 | 111.9 | P85 F87 V222 L223 I349 E350 R354 | P85-T352 HydrophobicContact CB-CG2 3.56Å; P85-T352 HydrophobicContact CG-CG2 3.98Å; F87-T352 HydrophobicContact CB-CG2 4.49Å; F87-T352 VanDerWaalsContact CD2-OG1 3.26Å; F87-T352 WeakPolarHBondContact CD2-OG1 3.41Å; V222-T352 HydrophobicContact CB-CG2 3.8Å; V222-T352 HydrophobicContact CG1-CG2 3.92Å; L223-T352 HydrophobicContact CB-CG2 4.07Å; I349-T352 VanDerWaalsContact O-CB 3.3Å; I349-T352 WeakPolarHBondContact O-CB 3.38Å; I349-T352 PolarHBondContact O-N 3.05Å; I349-T352 VanDerWaalsContact O-N 3.09Å; I349-T352 PolarHBondContact O-OG1 3.35Å; E350-T352 PolarHBondContact O-N 2.98Å; E350-T352 VanDerWaalsContact O-N 3.17Å; T352-R354 VanDerWaalsContact C-N 3.33Å; T352-R354 PolarHBondContact O-N 2.03Å |
| 353 | H | 98.6 | Very high | 98.4 | Very high | 31 Ų | 31 | 24 Ų | 24 | 14% | 0.144 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -90.5 | 19.9 | -179.1 | -66.4 | -63.7 | 0 | 0 | 0 | 114.4 | P85 N128 T129 E350 Q351 P421 A422 | P85-H353 WeakPolarHBondContact CG-CE1 3.5Å; N128-H353 PolarHBondContact O-CE1 2.94Å; T129-H353 PolarHBondContact OG1-NE2 3.41Å; E350-H353 PolarHBondContact O-N 2.95Å; E350-H353 VanDerWaalsContact O-N 3.11Å; Q351-H353 PolarHBondContact O-N 3.45Å; H353-P421 CarbonylContact O-C 3.53Å; H353-A422 WeakPolarHBondContact O-CA 3.48Å; H353-A422 WeakPolarHBondContact O-CB 3.38Å; H353-A422 PolarHBondContact O-N 2.9Å |
| 354 | R | 98.3 | Very high | 98.2 | Very high | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.015 | 12% | 0.123 | C | C | . | . | trans | -103.1 | 165.8 | -178.6 | -64.3 | 179.9 | 60.7 | -157.3 | -10 | 112.3 | S260 Q351 T352 Y419 | S260-R354 PolarHBondContact OG-NH1 3.03Å; S260-R354 PolarHBondContact OG-NH2 3.29Å; Q351-R354 WeakPolarHBondContact O-CB 3.21Å; Q351-R354 PolarHBondContact O-N 3.03Å; T352-R354 VanDerWaalsContact C-N 3.33Å; T352-R354 PolarHBondContact O-N 2.03Å; R354-Y419 WeakPolarHBondContact CG-O 3.26Å; R354-Y419 PolarHBondContact NE-O 2.92Å | ||
| 355 | G | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 84.4 | -127.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | R392 A422 T423 | G355-R392 WeakPolarHBondContact CA-O 3.48Å; G355-A422 CarbonylContact O-C 3.53Å; G355-A422 WeakPolarHBondContact O-CA 3.45Å; G355-T423 PolarHBondContact O-N 3.24Å |
| 356 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 140.8 | -178.1 | 177.4 | 0 | 0 | 0 | 0 | 109.4 | Y390 R392 L394 V415 V417 T423 V425 | V356-Y390 HydrophobicContact CG1-CE2 4.01Å; V356-Y390 WeakPolarHBondContact CG1-OH 3.26Å; V356-R392 PolarHBondContact N-O 3.15Å; V356-R392 PolarHBondContact O-N 3.16Å; V356-L394 HydrophobicContact CG2-CD1 4.08Å; V356-V415 HydrophobicContact CG2-CG1 3.88Å; V356-V417 HydrophobicContact CG2-CG2 3.54Å; V356-T423 WeakPolarHBondContact CA-O 3.41Å; V356-T423 WeakPolarHBondContact CG1-O 3.47Å; V356-V425 HydrophobicContact CG1-CB 3.71Å; V356-V425 HydrophobicContact CG1-CG2 3.61Å |
| 357 | K | 98.8 | Very high | 97.9 | Very high | 57 Ų | 57 | 32.5 Ų | 32.5 | 25% | 0.248 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 163.5 | 169.6 | 69 | 176.8 | -174.7 | 174.1 | 0 | 110.8 | G83 Y390 W391 A422 T423 R424 V425 | G83-K357 PolarHBondContact O-NZ 3.4Å; K357-Y390 VanDerWaalsContact CA-O 3.23Å; K357-Y390 WeakPolarHBondContact CA-O 3.31Å; K357-Y390 WeakPolarHBondContact CB-O 3.18Å; K357-W391 HydrophobicContact CB-CG 4.19Å; K357-A422 HydrophobicContact CD-CB 4.4Å; K357-A422 HydrophobicContact CG-CB 4.12Å; K357-T423 PolarHBondContact N-O 3.43Å; K357-R424 CarbonylContact O-C 3.48Å; K357-R424 WeakPolarHBondContact O-CA 3.2Å; K357-V425 PolarHBondContact O-N 3.15Å |
| 358 | G | 98.8 | Very high | 97.9 | Very high | 5 Ų | 5 | 32.3 Ų | 32.3 | 5% | 0.052 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165 | -162.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | D389 Y390 D426 | G358-D389 CarbonylContact O-C 3.54Å; G358-D389 WeakPolarHBondContact O-CA 3.36Å; G358-Y390 VanDerWaalsContact C-CE1 3.41Å; G358-Y390 PolarHBondContact N-O 2.99Å; G358-Y390 VanDerWaalsContact N-O 3.14Å; G358-Y390 WeakPolarHBondContact O-CD1 3.05Å; G358-Y390 PolarHBondContact O-N 3.5Å; G358-D426 VanDerWaalsContact CA-OD1 3.24Å; G358-D426 WeakPolarHBondContact CA-OD1 3.28Å |
| 359 | F | 98.9 | Very high | 97.9 | Very high | 20 Ų | 20 | 35.1 Ų | 35.1 | 9% | 0.088 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 145.7 | -179 | -62.8 | -94.9 | 0 | 0 | 0 | 111.6 | P82 R361 G388 D389 D426 F427 | P82-F359 HydrophobicContact CB-CE1 3.76Å; P82-F359 HydrophobicContact CB-CZ 4.13Å; F359-R361 HydrophobicContact CB-CG 4.43Å; F359-G388 CarbonylContact C-O 3.58Å; F359-G388 VanDerWaalsContact CA-O 3.32Å; F359-G388 WeakPolarHBondContact CA-O 3.46Å; F359-D389 HydrophobicContact CD1-CB 3.81Å; F359-D389 HydrophobicContact CE1-CB 3.65Å; F359-D389 HydrophobicContact CZ-CB 4.24Å; F359-D426 PolarHBondContact N-OD1 3.1Å; F359-D426 CarbonylContact O-C 3.57Å; F359-D426 VanDerWaalsContact O-CA 3.27Å; F359-D426 WeakPolarHBondContact O-CA 3.24Å; F359-F427 PolarHBondContact O-N 3.42Å |
| 360 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 123.4 | 165.2 | -171.6 | 0 | 0 | 0 | 0 | 108.6 | I368 A371 I373 T384 G388 Y390 A403 F427 L429 | V360-I368 HydrophobicContact CG1-CB 4.21Å; V360-I368 HydrophobicContact CG1-CD1 4.28Å; V360-I368 PolarHBondContact O-N 3.45Å; V360-A371 HydrophobicContact CB-CB 4.08Å; V360-A371 HydrophobicContact CG1-CB 3.84Å; V360-A371 HydrophobicContact CG2-CB 4.19Å; V360-I373 HydrophobicContact CG2-CD1 3.6Å; V360-T384 HydrophobicContact CB-CG2 3.88Å; V360-T384 HydrophobicContact CG2-CG2 3.43Å; V360-T384 VanDerWaalsContact CG2-CG2 3.43Å; V360-G388 PolarHBondContact N-O 2.92Å; V360-Y390 HydrophobicContact CG2-CD1 4.21Å; V360-Y390 HydrophobicContact CG2-CE1 4.39Å; V360-A403 HydrophobicContact CG1-CB 4.44Å; V360-A403 HydrophobicContact CG2-CB 4.14Å; V360-F427 CarbonylContact C-O 3.46Å; V360-F427 WeakPolarHBondContact CA-O 3.24Å; V360-F427 HydrophobicContact CG1-CB 4.34Å; V360-F427 HydrophobicContact CG2-CB 4.28Å; V360-F427 HydrophobicContact CG2-CD2 4.46Å; V360-L429 HydrophobicContact CG1-CD1 3.57Å; V360-L429 HydrophobicContact CG1-CG 3.74Å |
| 361 | R | 98.6 | Very high | 97.8 | Very high | 92 Ų | 92 | 37.6 Ų | 37.6 | 35% | 0.347 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 159.8 | -177.7 | -64.5 | 175.4 | -176.9 | -101.7 | -4.1 | 110.9 | F359 G365 S366 F427 E428 L429 | F359-R361 HydrophobicContact CB-CG 4.43Å; R361-G365 PolarHBondContact NH1-O 3.5Å; R361-S366 CarbonylContact C-O 3.55Å; R361-S366 WeakPolarHBondContact CA-O 3.39Å; R361-S366 WeakPolarHBondContact CB-O 3.47Å; R361-F427 PolarHBondContact N-O 3.43Å; R361-E428 CarbonylContact O-C 3.49Å; R361-E428 VanDerWaalsContact O-CA 3.29Å; R361-E428 WeakPolarHBondContact O-CA 3.39Å; R361-L429 PolarHBondContact O-N 3.3Å |
| 362 | D | 96.9 | Very high | 97.8 | Very high | 24 Ų | 24 | 39 Ų | 39 | 13% | 0.128 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 176.1 | 164.3 | 65.7 | 21.1 | 0 | 0 | 0 | 111 | Q364 G365 S366 I368 F408 L429 | D362-Q364 PolarHBondContact O-N 3.17Å; D362-Q364 VanDerWaalsContact OD1-C 3.29Å; D362-Q364 WeakPolarHBondContact OD1-CA 3.48Å; D362-Q364 WeakPolarHBondContact OD1-CB 3.47Å; D362-Q364 PolarHBondContact OD1-N 3.33Å; D362-Q364 PolarHBondContact OD1-OE1 3.2Å; D362-G365 PolarHBondContact O-N 2.72Å; D362-G365 PolarHBondContact OD1-N 3.3Å; D362-S366 PolarHBondContact N-O 3.36Å; D362-S366 WeakPolarHBondContact OD1-CB 3.23Å; D362-S366 PolarHBondContact OD1-N 3.35Å; D362-S366 PolarHBondContact OD1-OG 2.69Å; D362-S366 WeakPolarHBondContact OD2-CB 3.5Å; D362-S366 PolarHBondContact OD2-OG 2.96Å; D362-I368 HydrophobicContact CB-CD1 4.24Å; D362-F408 HydrophobicContact CB-CE1 3.86Å; D362-F408 HydrophobicContact CB-CZ 4.37Å; D362-L429 WeakPolarHBondContact CA-O 3.36Å |
| 363 | L | 94.9 | Very high | 97.8 | Very high | 87 Ų | 87 | 39 Ų | 39 | 46% | 0.455 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -16.2 | 178.1 | -66.6 | -179.2 | 0 | 0 | 0 | 113.5 | G365 E428 E430 | L363-G365 VanDerWaalsContact C-N 3.33Å; L363-E428 HydrophobicContact CD2-CB 4.34Å; L363-E430 HydrophobicContact CD1-CB 3.89Å; L363-E430 HydrophobicContact CD1-CG 3.82Å; L363-E430 HydrophobicContact CG-CB 4.35Å |
| 364 | Q | 93.3 | Very high | 97.8 | Very high | 119 Ų | 119 | 39.1 Ų | 39.1 | 56% | 0.556 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -2.8 | 175.5 | -60.9 | 75.4 | 24.9 | 0 | 0 | 112.2 | D362 E434 | D362-Q364 PolarHBondContact O-N 3.17Å; D362-Q364 VanDerWaalsContact OD1-C 3.29Å; D362-Q364 WeakPolarHBondContact OD1-CA 3.48Å; D362-Q364 WeakPolarHBondContact OD1-CB 3.47Å; D362-Q364 PolarHBondContact OD1-N 3.33Å; D362-Q364 PolarHBondContact OD1-OE1 3.2Å; Q364-E434 PolarHBondContact NE2-OE1 3.01Å; Q364-E434 PolarHBondContact OE1-OE1 2.82Å |
| 365 | G | 95.2 | Very high | 97.9 | Very high | 33 Ų | 33 | 39.2 Ų | 39.2 | 34% | 0.34 | 22% | 0.22 | S | C | . | . | S | Bend | trans | 85 | 6.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | R361 D362 L363 | R361-G365 PolarHBondContact NH1-O 3.5Å; D362-G365 PolarHBondContact O-N 2.72Å; D362-G365 PolarHBondContact OD1-N 3.3Å; L363-G365 VanDerWaalsContact C-N 3.33Å |
| 366 | S | 97.5 | Very high | 97.9 | Very high | 55 Ų | 55 | 45 Ų | 45 | 39% | 0.385 | 25% | 0.247 | S | C | . | . | trans | -71.4 | 139 | 175.5 | -35 | 0 | 0 | 0 | 0 | 110.2 | R361 D362 | R361-S366 CarbonylContact C-O 3.55Å; R361-S366 WeakPolarHBondContact CA-O 3.39Å; R361-S366 WeakPolarHBondContact CB-O 3.47Å; D362-S366 PolarHBondContact N-O 3.36Å; D362-S366 WeakPolarHBondContact OD1-CB 3.23Å; D362-S366 PolarHBondContact OD1-N 3.35Å; D362-S366 PolarHBondContact OD1-OG 2.69Å; D362-S366 WeakPolarHBondContact OD2-CB 3.5Å; D362-S366 PolarHBondContact OD2-OG 2.96Å | ||
| 367 | P | 98.2 | Very high | 97.8 | Very high | 61 Ų | 61 | 49 Ų | 49 | 40% | 0.396 | 29% | 0.288 | S | S | . | . | B | Isolated β-bridge | trans | -68.5 | 140.7 | 178.5 | 29.5 | -34.8 | 0 | 0 | 0 | 111.7 | D387 | P367-D387 VanDerWaalsContact CB-C 3.41Å; P367-D387 WeakPolarHBondContact CB-O 3.3Å |
| 368 | I | 98.5 | Very high | 97.8 | Very high | 17 Ų | 17 | 47.5 Ų | 47.5 | 9% | 0.087 | 28% | 0.282 | C | S | . | . | trans | -107.4 | 103.1 | 173.9 | -55.5 | 176.7 | 0 | 0 | 0 | 108.5 | V360 D362 A371 T384 G388 A405 F408 L429 | V360-I368 HydrophobicContact CG1-CB 4.21Å; V360-I368 HydrophobicContact CG1-CD1 4.28Å; V360-I368 PolarHBondContact O-N 3.45Å; D362-I368 HydrophobicContact CB-CD1 4.24Å; I368-A371 HydrophobicContact CB-CB 4.49Å; I368-A371 HydrophobicContact CG2-CB 3.98Å; I368-T384 PolarHBondContact O-OG1 2.96Å; I368-G388 WeakPolarHBondContact O-CA 3.28Å; I368-A405 HydrophobicContact CG2-CB 3.79Å; I368-F408 HydrophobicContact CD1-CD1 3.93Å; I368-F408 HydrophobicContact CD1-CD2 4.3Å; I368-F408 HydrophobicContact CD1-CE1 3.65Å; I368-F408 HydrophobicContact CD1-CE2 4.04Å; I368-F408 HydrophobicContact CD1-CG 4.25Å; I368-F408 HydrophobicContact CD1-CZ 3.7Å; I368-F408 HydrophobicContact CG1-CZ 4.31Å; I368-L429 HydrophobicContact CD1-CB 4.04Å; I368-L429 HydrophobicContact CD1-CD1 4.1Å; I368-L429 HydrophobicContact CD1-CG 4.27Å | ||
| 369 | S | 97.9 | Very high | 97.8 | Very high | 59 Ų | 59 | 51.3 Ų | 51.3 | 41% | 0.413 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 150.7 | 173.3 | 64.3 | 0 | 0 | 0 | 0 | 112 | A371 T384 A385 | S369-A371 PolarHBondContact O-N 3.22Å; S369-T384 WeakPolarHBondContact CA-OG1 3.37Å; S369-A385 WeakPolarHBondContact CA-O 3.33Å; S369-A385 WeakPolarHBondContact CB-O 3.23Å |
| 370 | N | 97.5 | Very high | 97.8 | Very high | 115 Ų | 115 | 50.4 Ų | 50.4 | 62% | 0.615 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 24.9 | -178.2 | -57 | -44.7 | 0 | 0 | 0 | 114.1 | T384 | N370-T384 PolarHBondContact N-O 3.38Å; N370-T384 PolarHBondContact N-OG1 3.49Å |
| 371 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | trans | -71 | 140.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | V360 I368 S369 T383 T384 S404 A405 | V360-A371 HydrophobicContact CB-CB 4.08Å; V360-A371 HydrophobicContact CG1-CB 3.84Å; V360-A371 HydrophobicContact CG2-CB 4.19Å; I368-A371 HydrophobicContact CB-CB 4.49Å; I368-A371 HydrophobicContact CG2-CB 3.98Å; S369-A371 PolarHBondContact O-N 3.22Å; A371-T383 CarbonylContact O-C 3.57Å; A371-T383 VanDerWaalsContact O-CA 3.23Å; A371-T383 WeakPolarHBondContact O-CA 3.01Å; A371-T384 HydrophobicContact CB-CG2 3.94Å; A371-T384 PolarHBondContact N-OG1 3.32Å; A371-T384 PolarHBondContact O-N 3.46Å; A371-S404 CarbonylContact C-O 3.28Å; A371-S404 WeakPolarHBondContact CA-O 3.35Å; A371-A405 HydrophobicContact CB-CB 4.05Å | ||
| 372 | T | 98.8 | Very high | 97.7 | Very high | 38 Ų | 38 | 47.5 Ų | 47.5 | 23% | 0.233 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 129.9 | 179 | -56.8 | 0 | 0 | 0 | 0 | 110.3 | D381 I382 A403 S404 | T372-D381 HydrophobicContact CG2-CB 3.57Å; T372-I382 CarbonylContact C-O 3.48Å; T372-I382 WeakPolarHBondContact CA-O 3.36Å; T372-A403 WeakPolarHBondContact O-CA 3.46Å; T372-S404 PolarHBondContact N-O 3.16Å; T372-S404 PolarHBondContact O-N 2.85Å |
| 373 | I | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 113.9 | 168.8 | -51.5 | -62.4 | 0 | 0 | 0 | 108.4 | V360 D381 I382 Y390 V401 A402 A403 F427 | V360-I373 HydrophobicContact CG2-CD1 3.6Å; I373-D381 WeakPolarHBondContact O-CA 3.3Å; I373-D381 WeakPolarHBondContact O-CB 3.32Å; I373-I382 HydrophobicContact CB-CD1 4.27Å; I373-I382 HydrophobicContact CB-CG1 3.67Å; I373-I382 HydrophobicContact CG1-CG1 4.19Å; I373-I382 HydrophobicContact CG2-CG1 4.35Å; I373-I382 PolarHBondContact N-O 3.07Å; I373-I382 PolarHBondContact O-N 3.26Å; I373-Y390 HydrophobicContact CB-CD2 4.44Å; I373-Y390 HydrophobicContact CD1-CD1 3.95Å; I373-Y390 HydrophobicContact CD1-CD2 4.38Å; I373-Y390 HydrophobicContact CD1-CE1 4.02Å; I373-Y390 HydrophobicContact CD1-CE2 4.42Å; I373-Y390 HydrophobicContact CD1-CG 4.14Å; I373-Y390 HydrophobicContact CG1-CD1 4.04Å; I373-Y390 HydrophobicContact CG1-CD2 3.78Å; I373-Y390 HydrophobicContact CG1-CE1 4.43Å; I373-Y390 HydrophobicContact CG1-CE2 4.17Å; I373-Y390 HydrophobicContact CG1-CG 3.69Å; I373-Y390 HydrophobicContact CG2-CD2 4.24Å; I373-Y390 HydrophobicContact CG2-CE2 4.03Å; I373-V401 HydrophobicContact CG2-CG1 3.54Å; I373-A402 CarbonylContact C-O 3.52Å; I373-A402 VanDerWaalsContact CA-O 3.31Å; I373-A402 WeakPolarHBondContact CA-O 3.33Å; I373-A403 HydrophobicContact CD1-CB 3.73Å; I373-F427 HydrophobicContact CD1-CD2 4.39Å; I373-F427 HydrophobicContact CD1-CE2 4.4Å |
| 374 | S | 98.8 | Very high | 98 | Very high | 34 Ų | 34 | 43.2 Ų | 43.2 | 24% | 0.238 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 151.2 | 178.6 | 62.4 | 0 | 0 | 0 | 0 | 111.7 | D381 V401 A402 | S374-D381 VanDerWaalsContact CA-OD1 3.3Å; S374-D381 WeakPolarHBondContact CA-OD1 3.38Å; S374-D381 WeakPolarHBondContact CB-OD1 3.49Å; S374-V401 CarbonylContact O-C 3.55Å; S374-V401 WeakPolarHBondContact O-CA 3.37Å; S374-A402 PolarHBondContact N-O 3.13Å; S374-A402 PolarHBondContact O-N 3.17Å |
| 375 | V | 98.8 | Very high | 98.2 | Very high | 6 Ų | 6 | 38.3 Ų | 38.3 | 4% | 0.036 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 121.9 | -178.4 | -177.6 | 0 | 0 | 0 | 0 | 109.2 | G377 I378 R392 L394 Y399 V401 | V375-G377 PolarHBondContact O-N 2.84Å; V375-G377 VanDerWaalsContact O-N 3.09Å; V375-I378 HydrophobicContact CB-CB 4.33Å; V375-I378 HydrophobicContact CB-CD1 4.33Å; V375-I378 HydrophobicContact CG1-CD1 3.93Å; V375-I378 HydrophobicContact CG1-CG1 4.27Å; V375-I378 PolarHBondContact O-N 2.79Å; V375-R392 HydrophobicContact CG2-CG 4.08Å; V375-L394 HydrophobicContact CG1-CD2 4.41Å; V375-L394 HydrophobicContact CG2-CD1 4.32Å; V375-L394 HydrophobicContact CG2-CD2 4.36Å; V375-Y399 HydrophobicContact CG1-CD1 3.52Å; V375-Y399 HydrophobicContact CG1-CE1 4.35Å; V375-Y399 HydrophobicContact CG1-CG 4.14Å; V375-V401 HydrophobicContact CG2-CG2 4.41Å |
| 376 | E | 98.4 | Very high | 98.4 | Very high | 124 Ų | 124 | 45 Ų | 45 | 58% | 0.579 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 119.1 | 179.9 | -172.9 | 176.9 | 129.4 | 0 | 0 | 110.3 | K400 | E376-K400 HydrophobicContact CB-CB 4.05Å; E376-K400 HydrophobicContact CB-CD 4.44Å; E376-K400 PolarHBondContact N-O 2.79Å; E376-K400 IonicContact OE1-NZ 2.61Å; E376-K400 PolarHBondContact OE1-NZ 2.84Å; E376-K400 WeakPolarHBondContact OE2-CD 3.31Å; E376-K400 WeakPolarHBondContact OE2-CE 3.31Å; E376-K400 IonicContact OE2-NZ 3.73Å; E376-K400 PolarHBondContact OE2-NZ 2.81Å |
| 377 | G | 97.7 | Very high | 98.4 | Very high | 82 Ų | 82 | 45.2 Ų | 45.2 | 85% | 0.845 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.8 | -0.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | V375 | V375-G377 PolarHBondContact O-N 2.84Å; V375-G377 VanDerWaalsContact O-N 3.09Å |
| 378 | I | 98.6 | Very high | 98.4 | Very high | 26 Ų | 26 | 42.3 Ų | 42.3 | 13% | 0.133 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 110.1 | 172.9 | -53.7 | 176.5 | 0 | 0 | 0 | 108.5 | P253 V375 H380 R392 L394 Y399 | P253-I378 HydrophobicContact CB-CG2 3.98Å; V375-I378 HydrophobicContact CB-CB 4.33Å; V375-I378 HydrophobicContact CB-CD1 4.33Å; V375-I378 HydrophobicContact CG1-CD1 3.93Å; V375-I378 HydrophobicContact CG1-CG1 4.27Å; V375-I378 PolarHBondContact O-N 2.79Å; I378-H380 PolarHBondContact O-N 2.93Å; I378-R392 VanDerWaalsContact CG2-NH2 3.28Å; I378-L394 HydrophobicContact CD1-CD2 3.53Å; I378-Y399 HydrophobicContact CD1-CE1 4.12Å |
| 379 | D | 98.1 | Very high | 98.4 | Very high | 86 Ų | 86 | 41.5 Ų | 41.5 | 46% | 0.46 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 57.8 | -177.4 | -168.5 | 22.4 | 0 | 0 | 0 | 112.3 | N188 P253 | N188-D379 WeakPolarHBondContact CB-O 3.43Å; N188-D379 PolarHBondContact ND2-OD1 3.38Å; P253-D379 VanDerWaalsContact CG-O 3.22Å; P253-D379 WeakPolarHBondContact CG-O 3.29Å |
| 380 | H | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 104.7 | 173.3 | 177.5 | 70.5 | 0 | 0 | 0 | 108.5 | N188 P253 D254 Y311 F317 I378 R392 | N188-H380 PolarHBondContact O-ND1 3.17Å; P253-H380 HydrophobicContact CB-CB 3.88Å; P253-H380 HydrophobicContact CG-CB 4.1Å; D254-H380 IonicContact OD2-CD2 3.81Å; D254-H380 PolarHBondContact OD2-CD2 2.82Å; D254-H380 VanDerWaalsContact OD2-CD2 3.31Å; D254-H380 IonicContact OD2-CG 3.95Å; Y311-H380 AromaticContact CD2-CE1 3.99Å; Y311-H380 AromaticContact CD2-NE2 3.59Å; Y311-H380 AromaticContact CE1-ND1 3.97Å; Y311-H380 AromaticContact CE2-CD2 3.19Å; Y311-H380 WeakPolarHBondContact CE2-CD2 3.47Å; Y311-H380 AromaticContact CE2-CE1 3.77Å; Y311-H380 AromaticContact CE2-CG 3.78Å; Y311-H380 AromaticContact CE2-NE2 3.23Å; Y311-H380 WeakPolarHBondContact CE2-NE2 3.32Å; Y311-H380 AromaticContact CZ-CD2 3.35Å; Y311-H380 AromaticContact CZ-CE1 3.86Å; Y311-H380 AromaticContact CZ-CG 3.41Å; Y311-H380 VanDerWaalsContact CZ-CG 3.41Å; Y311-H380 AromaticContact CZ-ND1 3.72Å; Y311-H380 AromaticContact CZ-NE2 3.68Å; Y311-H380 PolarHBondContact O-CE1 3.15Å; Y311-H380 VanDerWaalsContact OH-CB 3.28Å; Y311-H380 WeakPolarHBondContact OH-CB 3.37Å; Y311-H380 PolarHBondContact OH-CD2 3.37Å; F317-H380 AromaticContact CE1-NE2 3.9Å; I378-H380 PolarHBondContact O-N 2.93Å; H380-R392 PolarHBondContact CD2-NH1 3.45Å; H380-R392 VanDerWaalsContact CD2-NH1 3.29Å; H380-R392 PolarHBondContact O-NH1 3.15Å; H380-R392 PolarHBondContact O-NH2 3.14Å |
| 381 | D | 98.6 | Very high | 98.5 | Very high | 30 Ų | 30 | 34.1 Ų | 34.1 | 16% | 0.16 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 164.8 | -178.7 | -52.1 | -34.2 | 0 | 0 | 0 | 111.8 | N188 N189 T372 I373 S374 | N188-D381 PolarHBondContact ND2-OD2 3.01Å; N188-D381 PolarHBondContact OD1-N 2.78Å; N188-D381 VanDerWaalsContact OD1-N 3.14Å; N188-D381 PolarHBondContact OD1-OD2 2.94Å; N189-D381 WeakPolarHBondContact CB-O 3.46Å; T372-D381 HydrophobicContact CG2-CB 3.57Å; I373-D381 WeakPolarHBondContact O-CA 3.3Å; I373-D381 WeakPolarHBondContact O-CB 3.32Å; S374-D381 VanDerWaalsContact CA-OD1 3.3Å; S374-D381 WeakPolarHBondContact CA-OD1 3.38Å; S374-D381 WeakPolarHBondContact CB-OD1 3.49Å |
| 382 | I | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 170.1 | 168.6 | 64.6 | 170.1 | 0 | 0 | 0 | 110.6 | N315 T372 I373 Y390 W391 R392 | N315-I382 HydrophobicContact CB-CG2 4.48Å; N315-I382 VanDerWaalsContact OD1-CA 3.26Å; N315-I382 WeakPolarHBondContact OD1-CA 3.17Å; N315-I382 WeakPolarHBondContact OD1-CB 3.05Å; T372-I382 CarbonylContact C-O 3.48Å; T372-I382 WeakPolarHBondContact CA-O 3.36Å; I373-I382 HydrophobicContact CB-CD1 4.27Å; I373-I382 HydrophobicContact CB-CG1 3.67Å; I373-I382 HydrophobicContact CG1-CG1 4.19Å; I373-I382 HydrophobicContact CG2-CG1 4.35Å; I373-I382 PolarHBondContact N-O 3.07Å; I373-I382 PolarHBondContact O-N 3.26Å; I382-Y390 HydrophobicContact CD1-CD2 3.92Å; I382-W391 VanDerWaalsContact CD1-C 3.42Å; I382-W391 WeakPolarHBondContact CD1-O 3.46Å; I382-R392 HydrophobicContact CD1-CB 3.56Å; I382-R392 HydrophobicContact CD1-CG 4.29Å; I382-R392 HydrophobicContact CG1-CB 4.45Å |
| 383 | T | 98.6 | Very high | 98.5 | Very high | 21 Ų | 21 | 32.5 Ų | 32.5 | 13% | 0.129 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 152.9 | 176.7 | 58.5 | 0 | 0 | 0 | 0 | 112.3 | H190 N315 A371 | H190-T383 PolarHBondContact CE1-OG1 3.15Å; H190-T383 VanDerWaalsContact CE1-OG1 3.22Å; H190-T383 PolarHBondContact NE2-OG1 2.84Å; N315-T383 PolarHBondContact ND2-O 2.91Å; N315-T383 PolarHBondContact ND2-OG1 2.86Å; N315-T383 PolarHBondContact OD1-N 3.39Å; N315-T383 PolarHBondContact OD1-OG1 3.37Å; A371-T383 CarbonylContact O-C 3.57Å; A371-T383 VanDerWaalsContact O-CA 3.23Å; A371-T383 WeakPolarHBondContact O-CA 3.01Å |
| 384 | T | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | trans | -73.8 | 144.6 | 168.5 | 56.1 | 0 | 0 | 0 | 0 | 111.6 | V360 I368 S369 N370 A371 G388 D389 Y390 | V360-T384 HydrophobicContact CB-CG2 3.88Å; V360-T384 HydrophobicContact CG2-CG2 3.43Å; V360-T384 VanDerWaalsContact CG2-CG2 3.43Å; I368-T384 PolarHBondContact O-OG1 2.96Å; S369-T384 WeakPolarHBondContact CA-OG1 3.37Å; N370-T384 PolarHBondContact N-O 3.38Å; N370-T384 PolarHBondContact N-OG1 3.49Å; A371-T384 HydrophobicContact CB-CG2 3.94Å; A371-T384 PolarHBondContact N-OG1 3.32Å; A371-T384 PolarHBondContact O-N 3.46Å; T384-G388 VanDerWaalsContact CG2-O 3.23Å; T384-G388 WeakPolarHBondContact CG2-O 3.5Å; T384-D389 CarbonylContact C-O 3.6Å; T384-D389 WeakPolarHBondContact CA-O 3.4Å; T384-D389 WeakPolarHBondContact CB-O 3.43Å; T384-Y390 HydrophobicContact CG2-CD1 4.23Å | ||
| 385 | A | 98.2 | Very high | 98.5 | Very high | 16 Ų | 16 | 31.5 Ų | 31.5 | 13% | 0.132 | 18% | 0.178 | C | C | . | . | trans | -74.1 | -173.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | P220 S369 D387 G388 D389 W391 | P220-A385 HydrophobicContact CB-CB 3.85Å; P220-A385 HydrophobicContact CG-CB 4.08Å; S369-A385 WeakPolarHBondContact CA-O 3.33Å; S369-A385 WeakPolarHBondContact CB-O 3.23Å; A385-D387 VanDerWaalsContact C-N 3.27Å; A385-D387 PolarHBondContact O-N 3.39Å; A385-G388 PolarHBondContact O-N 3.45Å; A385-D389 PolarHBondContact N-O 3.16Å; A385-W391 HydrophobicContact CB-CZ3 4.42Å | ||
| 386 | K | 97.4 | Very high | 98.5 | Very high | 174 Ų | 174 | 34.5 Ų | 34.5 | 76% | 0.757 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -36.5 | -172 | -175 | -175.6 | 172.7 | -167 | 0 | 113.1 | G388 | K386-G388 PolarHBondContact O-N 3.2Š|
| 387 | D | 98.1 | Very high | 98.5 | Very high | 58 Ų | 58 | 29.9 Ų | 29.9 | 31% | 0.31 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 14.4 | -177.8 | -63.5 | -67.1 | 0 | 0 | 0 | 112.6 | P82 P367 A385 D389 | P82-D387 HydrophobicContact CB-CB 3.86Å; P82-D387 HydrophobicContact CG-CB 3.75Å; P367-D387 VanDerWaalsContact CB-C 3.41Å; P367-D387 WeakPolarHBondContact CB-O 3.3Å; A385-D387 VanDerWaalsContact C-N 3.27Å; A385-D387 PolarHBondContact O-N 3.39Å; D387-D389 PolarHBondContact O-N 3.45Å |
| 388 | G | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 76 | 2.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | F359 V360 I368 T384 A385 K386 | F359-G388 CarbonylContact C-O 3.58Å; F359-G388 VanDerWaalsContact CA-O 3.32Å; F359-G388 WeakPolarHBondContact CA-O 3.46Å; V360-G388 PolarHBondContact N-O 2.92Å; I368-G388 WeakPolarHBondContact O-CA 3.28Å; T384-G388 VanDerWaalsContact CG2-O 3.23Å; T384-G388 WeakPolarHBondContact CG2-O 3.5Å; A385-G388 PolarHBondContact O-N 3.45Å; K386-G388 PolarHBondContact O-N 3.2Å |
| 389 | D | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 151.5 | 176.1 | 50.1 | -22.3 | 0 | 0 | 0 | 113.2 | H80 P82 G83 G358 F359 T384 A385 D387 W391 | H80-D389 IonicContact CE1-OD2 3.45Å; H80-D389 IonicContact NE2-OD2 3.36Å; H80-D389 PolarHBondContact NE2-OD2 2.87Å; H80-D389 VanDerWaalsContact NE2-OD2 3.1Å; P82-D389 VanDerWaalsContact CA-OD2 3.29Å; P82-D389 WeakPolarHBondContact CA-OD2 3.39Å; G83-D389 PolarHBondContact N-OD2 3.42Å; G358-D389 CarbonylContact O-C 3.54Å; G358-D389 WeakPolarHBondContact O-CA 3.36Å; F359-D389 HydrophobicContact CD1-CB 3.81Å; F359-D389 HydrophobicContact CE1-CB 3.65Å; F359-D389 HydrophobicContact CZ-CB 4.24Å; T384-D389 CarbonylContact C-O 3.6Å; T384-D389 WeakPolarHBondContact CA-O 3.4Å; T384-D389 WeakPolarHBondContact CB-O 3.43Å; A385-D389 PolarHBondContact N-O 3.16Å; D387-D389 PolarHBondContact O-N 3.45Å; D389-W391 HydrophobicContact CB-CH2 4.06Å; D389-W391 HydrophobicContact CB-CZ2 4.32Å; D389-W391 WeakPolarHBondContact OD2-CH2 3.28Å; D389-W391 WeakPolarHBondContact OD2-CZ2 3.22Å |
| 390 | Y | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 159.4 | 178.7 | 72.8 | -86.9 | 0 | 0 | 0 | 111.3 | V356 K357 G358 V360 I373 I382 T384 V425 F427 | V356-Y390 HydrophobicContact CG1-CE2 4.01Å; V356-Y390 WeakPolarHBondContact CG1-OH 3.26Å; K357-Y390 VanDerWaalsContact CA-O 3.23Å; K357-Y390 WeakPolarHBondContact CA-O 3.31Å; K357-Y390 WeakPolarHBondContact CB-O 3.18Å; G358-Y390 VanDerWaalsContact C-CE1 3.41Å; G358-Y390 PolarHBondContact N-O 2.99Å; G358-Y390 VanDerWaalsContact N-O 3.14Å; G358-Y390 WeakPolarHBondContact O-CD1 3.05Å; G358-Y390 PolarHBondContact O-N 3.5Å; V360-Y390 HydrophobicContact CG2-CD1 4.21Å; V360-Y390 HydrophobicContact CG2-CE1 4.39Å; I373-Y390 HydrophobicContact CB-CD2 4.44Å; I373-Y390 HydrophobicContact CD1-CD1 3.95Å; I373-Y390 HydrophobicContact CD1-CD2 4.38Å; I373-Y390 HydrophobicContact CD1-CE1 4.02Å; I373-Y390 HydrophobicContact CD1-CE2 4.42Å; I373-Y390 HydrophobicContact CD1-CG 4.14Å; I373-Y390 HydrophobicContact CG1-CD1 4.04Å; I373-Y390 HydrophobicContact CG1-CD2 3.78Å; I373-Y390 HydrophobicContact CG1-CE1 4.43Å; I373-Y390 HydrophobicContact CG1-CE2 4.17Å; I373-Y390 HydrophobicContact CG1-CG 3.69Å; I373-Y390 HydrophobicContact CG2-CD2 4.24Å; I373-Y390 HydrophobicContact CG2-CE2 4.03Å; I382-Y390 HydrophobicContact CD1-CD2 3.92Å; T384-Y390 HydrophobicContact CG2-CD1 4.23Å; Y390-V425 WeakPolarHBondContact CE1-O 3.26Å; Y390-V425 PolarHBondContact OH-O 2.73Å; Y390-F427 HydrophobicContact CE1-CD2 4.17Å; Y390-F427 HydrophobicContact CE1-CE2 4.35Å; Y390-F427 WeakPolarHBondContact OH-CE2 3.46Å |
| 391 | W | 98.9 | Very high | 98.5 | Very high | 18 Ų | 18 | 33.3 Ų | 33.3 | 7% | 0.068 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 116.3 | 173.6 | -52.5 | -101.1 | 0 | 0 | 0 | 109.3 | H80 G83 E84 P85 P220 V222 K357 I382 A385 D389 | H80-W391 AromaticContact CE1-CH2 3.58Å; H80-W391 AromaticContact NE2-CH2 3.86Å; G83-W391 PolarHBondContact O-NE1 3.17Å; E84-W391 VanDerWaalsContact C-CZ2 3.47Å; E84-W391 WeakPolarHBondContact O-CZ2 3.4Å; P85-W391 HydrophobicContact CB-CD2 4.35Å; P85-W391 HydrophobicContact CB-CG 4.2Å; P220-W391 HydrophobicContact CB-CZ3 4.36Å; V222-W391 HydrophobicContact CB-CB 4.36Å; V222-W391 HydrophobicContact CG1-CB 3.74Å; V222-W391 HydrophobicContact CG1-CG 4.49Å; V222-W391 HydrophobicContact CG2-CB 3.64Å; V222-W391 HydrophobicContact CG2-CD2 3.7Å; V222-W391 HydrophobicContact CG2-CE3 3.68Å; V222-W391 HydrophobicContact CG2-CG 3.7Å; K357-W391 HydrophobicContact CB-CG 4.19Å; I382-W391 VanDerWaalsContact CD1-C 3.42Å; I382-W391 WeakPolarHBondContact CD1-O 3.46Å; A385-W391 HydrophobicContact CB-CZ3 4.42Å; D389-W391 HydrophobicContact CB-CH2 4.06Å; D389-W391 HydrophobicContact CB-CZ2 4.32Å; D389-W391 WeakPolarHBondContact OD2-CH2 3.28Å; D389-W391 WeakPolarHBondContact OD2-CZ2 3.22Å |
| 392 | R | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 103.2 | 176.7 | -175.5 | 57.6 | -165.3 | -164 | -7.7 | 110 | D254 G355 V356 V375 I378 H380 I382 L394 | D254-R392 IonicContact OD1-CZ 2.78Å; D254-R392 IonicContact OD1-NH2 2.72Å; D254-R392 PolarHBondContact OD1-NH2 2.76Å; D254-R392 IonicContact OD2-CZ 3.16Å; D254-R392 IonicContact OD2-NH1 2.79Å; D254-R392 IonicContact OD2-NH2 3.64Å; D254-R392 PolarHBondContact OD2-NH2 2.88Å; G355-R392 WeakPolarHBondContact CA-O 3.48Å; V356-R392 PolarHBondContact N-O 3.15Å; V356-R392 PolarHBondContact O-N 3.16Å; V375-R392 HydrophobicContact CG2-CG 4.08Å; I378-R392 VanDerWaalsContact CG2-NH2 3.28Å; H380-R392 PolarHBondContact CD2-NH1 3.45Å; H380-R392 VanDerWaalsContact CD2-NH1 3.29Å; H380-R392 PolarHBondContact O-NH1 3.15Å; H380-R392 PolarHBondContact O-NH2 3.14Å; I382-R392 HydrophobicContact CD1-CB 3.56Å; I382-R392 HydrophobicContact CD1-CG 4.29Å; I382-R392 HydrophobicContact CG1-CB 4.45Å; R392-L394 HydrophobicContact CG-CD1 4.14Å; R392-L394 HydrophobicContact CG-CD2 4.21Å; R392-L394 HydrophobicContact CG-CG 3.94Å; R392-L394 PolarHBondContact O-N 2.04Å |
| 393 | L | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | trans | -63.8 | 127.1 | 172.9 | -62.2 | 178.5 | 0 | 0 | 0 | 109.7 | V222 L223 M257 L261 F317 | V222-L393 HydrophobicContact CG1-CD1 4.28Å; V222-L393 HydrophobicContact CG1-CD2 4.11Å; V222-L393 HydrophobicContact CG1-CG 4.04Å; L223-L393 HydrophobicContact CB-CD1 4.3Å; L223-L393 HydrophobicContact CD1-CD1 3.93Å; M257-L393 HydrophobicContact CG-CB 4.11Å; L261-L393 HydrophobicContact CD1-CD1 4.25Å; F317-L393 HydrophobicContact CB-CD1 3.99Å; F317-L393 HydrophobicContact CD2-CB 4.3Å; F317-L393 HydrophobicContact CD2-CD1 4.02Å; F317-L393 HydrophobicContact CE2-CB 4.23Å; F317-L393 HydrophobicContact CG-CD1 4.03Å | ||
| 394 | L | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | trans | -143.7 | 145.1 | 179.5 | -68.1 | 172.5 | 0 | 0 | 0 | 109.8 | V356 V375 I378 R392 Y399 V417 | V356-L394 HydrophobicContact CG2-CD1 4.08Å; V375-L394 HydrophobicContact CG1-CD2 4.41Å; V375-L394 HydrophobicContact CG2-CD1 4.32Å; V375-L394 HydrophobicContact CG2-CD2 4.36Å; I378-L394 HydrophobicContact CD1-CD2 3.53Å; R392-L394 HydrophobicContact CG-CD1 4.14Å; R392-L394 HydrophobicContact CG-CD2 4.21Å; R392-L394 HydrophobicContact CG-CG 3.94Å; R392-L394 PolarHBondContact O-N 2.04Å; L394-Y399 HydrophobicContact CB-CE2 4.13Å; L394-Y399 HydrophobicContact CD1-CD1 4.41Å; L394-Y399 HydrophobicContact CD1-CD2 4.01Å; L394-Y399 HydrophobicContact CD1-CE2 4.25Å; L394-Y399 HydrophobicContact CD1-CG 4.09Å; L394-Y399 HydrophobicContact CD2-CE1 4.22Å; L394-V417 HydrophobicContact CB-CG1 4.19Å; L394-V417 HydrophobicContact CD1-CG2 4.19Å | ||
| 395 | A | 98.1 | Very high | 98.5 | Very high | 11 Ų | 11 | 33.4 Ų | 33.4 | 9% | 0.091 | 18% | 0.181 | C | C | . | . | trans | -67.8 | 162.5 | 169 | 0 | 0 | 0 | 0 | 0 | 110.4 | V256 M257 G397 Y399 | V256-A395 HydrophobicContact CG1-CB 3.84Å; M257-A395 HydrophobicContact SD-CB 4.42Å; M257-A395 PolarHBondContact SD-N 3.07Å; A395-G397 PolarHBondContact O-N 3.33Å; A395-Y399 VanDerWaalsContact O-CE2 3.29Å; A395-Y399 WeakPolarHBondContact O-CE2 3.48Å; A395-Y399 PolarHBondContact O-OH 2.87Å | ||
| 396 | P | 98.3 | Very high | 98.4 | Very high | 70 Ų | 70 | 38.4 Ų | 38.4 | 46% | 0.455 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -58.3 | 130.7 | 174.9 | -20.3 | 30.3 | 0 | 0 | 0 | 111.2 | V417 Y419 | P396-V417 VanDerWaalsContact CA-O 3.29Å; P396-V417 WeakPolarHBondContact CA-O 3.48Å; P396-Y419 HydrophobicContact CG-CD2 4Å |
| 397 | G | 98.1 | Very high | 98.3 | Very high | 26 Ų | 26 | 32 Ų | 32 | 27% | 0.268 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.3 | 179.4 | -175 | 0 | 0 | 0 | 0 | 0 | 113.7 | A395 V417 | A395-G397 PolarHBondContact O-N 3.33Å; G397-V417 PolarHBondContact N-O 3.47Å; G397-V417 PolarHBondContact O-N 2.93Å |
| 398 | N | 98.4 | Very high | 98.3 | Very high | 144 Ų | 144 | 31.6 Ų | 31.6 | 77% | 0.77 | 19% | 0.192 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 124.2 | 172.6 | -66.3 | -68.5 | 0 | 0 | 0 | 108.8 | V415 A416 | N398-V415 WeakPolarHBondContact CA-O 3.46Å; N398-A416 WeakPolarHBondContact OD1-CB 3.43Å |
| 399 | Y | 98.7 | Very high | 98.2 | Very high | 43 Ų | 43 | 34.5 Ų | 34.5 | 17% | 0.169 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 157.4 | -173.5 | -61.6 | -85.4 | 0 | 0 | 0 | 110.8 | V375 I378 L394 A395 K414 V415 V417 | V375-Y399 HydrophobicContact CG1-CD1 3.52Å; V375-Y399 HydrophobicContact CG1-CE1 4.35Å; V375-Y399 HydrophobicContact CG1-CG 4.14Å; I378-Y399 HydrophobicContact CD1-CE1 4.12Å; L394-Y399 HydrophobicContact CB-CE2 4.13Å; L394-Y399 HydrophobicContact CD1-CD1 4.41Å; L394-Y399 HydrophobicContact CD1-CD2 4.01Å; L394-Y399 HydrophobicContact CD1-CE2 4.25Å; L394-Y399 HydrophobicContact CD1-CG 4.09Å; L394-Y399 HydrophobicContact CD2-CE1 4.22Å; A395-Y399 VanDerWaalsContact O-CE2 3.29Å; A395-Y399 WeakPolarHBondContact O-CE2 3.48Å; A395-Y399 PolarHBondContact O-OH 2.87Å; Y399-K414 CarbonylContact O-C 3.52Å; Y399-K414 WeakPolarHBondContact O-CA 3.09Å; Y399-V415 PolarHBondContact N-O 3.22Å; Y399-V415 PolarHBondContact O-N 3.49Å; Y399-V417 HydrophobicContact CD2-CB 4.07Å; Y399-V417 HydrophobicContact CD2-CG2 3.59Å; Y399-V417 HydrophobicContact CE2-CB 3.97Å; Y399-V417 HydrophobicContact CE2-CG2 3.94Å |
| 400 | K | 98.7 | Very high | 98.2 | Very high | 79 Ų | 79 | 38.4 Ų | 38.4 | 34% | 0.343 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 117.3 | 158.8 | -68.8 | 161.6 | 177.6 | 173.1 | 0 | 107 | E376 I412 K413 K414 | E376-K400 HydrophobicContact CB-CB 4.05Å; E376-K400 HydrophobicContact CB-CD 4.44Å; E376-K400 PolarHBondContact N-O 2.79Å; E376-K400 IonicContact OE1-NZ 2.61Å; E376-K400 PolarHBondContact OE1-NZ 2.84Å; E376-K400 WeakPolarHBondContact OE2-CD 3.31Å; E376-K400 WeakPolarHBondContact OE2-CE 3.31Å; E376-K400 IonicContact OE2-NZ 3.73Å; E376-K400 PolarHBondContact OE2-NZ 2.81Å; K400-I412 HydrophobicContact CB-CG2 4.09Å; K400-K413 CarbonylContact C-O 3.5Å; K400-K413 WeakPolarHBondContact CA-O 3.48Å; K400-K414 HydrophobicContact CG-CG 3.94Å |
| 401 | V | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 129.3 | -178.9 | -173.7 | 0 | 0 | 0 | 0 | 107.4 | I373 S374 V375 I412 K413 V415 F427 | I373-V401 HydrophobicContact CG2-CG1 3.54Å; S374-V401 CarbonylContact O-C 3.55Å; S374-V401 WeakPolarHBondContact O-CA 3.37Å; V375-V401 HydrophobicContact CG2-CG2 4.41Å; V401-I412 CarbonylContact O-C 3.5Å; V401-I412 WeakPolarHBondContact O-CA 3.06Å; V401-K413 PolarHBondContact N-O 3.35Å; V401-K413 PolarHBondContact O-N 3.42Å; V401-V415 HydrophobicContact CB-CG2 4.34Å; V401-V415 HydrophobicContact CG2-CB 4.36Å; V401-V415 HydrophobicContact CG2-CG2 3.94Å; V401-F427 HydrophobicContact CB-CZ 4.13Å; V401-F427 HydrophobicContact CG1-CE2 4.2Å; V401-F427 HydrophobicContact CG1-CZ 3.85Å |
| 402 | A | 98.8 | Very high | 98.2 | Very high | 10 Ų | 10 | 44.9 Ų | 44.9 | 8% | 0.083 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 140 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | I373 S374 T410 V411 I412 | I373-A402 CarbonylContact C-O 3.52Å; I373-A402 VanDerWaalsContact CA-O 3.31Å; I373-A402 WeakPolarHBondContact CA-O 3.33Å; S374-A402 PolarHBondContact N-O 3.13Å; S374-A402 PolarHBondContact O-N 3.17Å; A402-T410 HydrophobicContact CB-CG2 4.11Å; A402-V411 CarbonylContact C-O 3.52Å; A402-V411 VanDerWaalsContact CA-O 3.24Å; A402-V411 WeakPolarHBondContact CA-O 3.4Å; A402-I412 HydrophobicContact CB-CG1 3.82Å |
| 403 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 134.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | V360 T372 I373 T410 V411 F427 L429 | V360-A403 HydrophobicContact CG1-CB 4.44Å; V360-A403 HydrophobicContact CG2-CB 4.14Å; T372-A403 WeakPolarHBondContact O-CA 3.46Å; I373-A403 HydrophobicContact CD1-CB 3.73Å; A403-T410 WeakPolarHBondContact O-CA 3.31Å; A403-V411 PolarHBondContact N-O 3.43Å; A403-V411 PolarHBondContact O-N 3.35Å; A403-F427 HydrophobicContact CB-CB 3.65Å; A403-F427 HydrophobicContact CB-CD1 3.51Å; A403-F427 HydrophobicContact CB-CD2 3.69Å; A403-F427 HydrophobicContact CB-CE1 3.99Å; A403-F427 HydrophobicContact CB-CE2 4.13Å; A403-F427 HydrophobicContact CB-CG 3.34Å; A403-F427 HydrophobicContact CB-CZ 4.28Å; A403-L429 HydrophobicContact CB-CD2 4.16Å |
| 404 | S | 98.5 | Very high | 98.1 | Very high | 31 Ų | 31 | 57.3 Ų | 57.3 | 22% | 0.217 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 150.5 | 178.6 | 64.9 | 0 | 0 | 0 | 0 | 111 | A371 T372 T410 | A371-S404 CarbonylContact C-O 3.28Å; A371-S404 WeakPolarHBondContact CA-O 3.35Å; T372-S404 PolarHBondContact N-O 3.16Å; T372-S404 PolarHBondContact O-N 2.85Å; S404-T410 WeakPolarHBondContact CB-OG1 3.41Å |
| 405 | A | 98.2 | Very high | 98.1 | Very high | 13 Ų | 13 | 57.7 Ų | 57.7 | 11% | 0.107 | 32% | 0.324 | C | S | . | . | trans | -148.7 | 149.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | I368 A371 G407 F408 L429 | I368-A405 HydrophobicContact CG2-CB 3.79Å; A371-A405 HydrophobicContact CB-CB 4.05Å; A405-G407 PolarHBondContact O-N 3.41Å; A405-F408 HydrophobicContact CB-CB 4.35Å; A405-F408 HydrophobicContact CB-CD2 3.86Å; A405-F408 HydrophobicContact CB-CG 4.4Å; A405-F408 PolarHBondContact O-N 3.23Å; A405-L429 HydrophobicContact CB-CD1 4.06Å | ||
| 406 | P | 96.4 | Very high | 98.1 | Very high | 121 Ų | 121 | 60.2 Ų | 60.2 | 79% | 0.786 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 124.3 | 175.5 | -26 | 35 | 0 | 0 | 0 | 111.9 | F408 | P406-F408 WeakPolarHBondContact O-CD2 3.4Š|
| 407 | G | 95.8 | Very high | 98.1 | Very high | 40 Ų | 40 | 57.3 Ų | 57.3 | 41% | 0.412 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | 1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | A405 L432 | A405-G407 PolarHBondContact O-N 3.41Å; G407-L432 WeakPolarHBondContact O-CB 3.38Å; G407-L432 WeakPolarHBondContact O-CG 3.2Å; G407-L432 PolarHBondContact O-N 2.83Å |
| 408 | F | 97.5 | Very high | 98.1 | Very high | 50 Ų | 50 | 58.7 Ų | 58.7 | 22% | 0.219 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -120.2 | 157.7 | -179.6 | -68.1 | -93.9 | 0 | 0 | 0 | 112.6 | D362 I368 A405 P406 L429 E430 | D362-F408 HydrophobicContact CB-CE1 3.86Å; D362-F408 HydrophobicContact CB-CZ 4.37Å; I368-F408 HydrophobicContact CD1-CD1 3.93Å; I368-F408 HydrophobicContact CD1-CD2 4.3Å; I368-F408 HydrophobicContact CD1-CE1 3.65Å; I368-F408 HydrophobicContact CD1-CE2 4.04Å; I368-F408 HydrophobicContact CD1-CG 4.25Å; I368-F408 HydrophobicContact CD1-CZ 3.7Å; I368-F408 HydrophobicContact CG1-CZ 4.31Å; A405-F408 HydrophobicContact CB-CB 4.35Å; A405-F408 HydrophobicContact CB-CD2 3.86Å; A405-F408 HydrophobicContact CB-CG 4.4Å; A405-F408 PolarHBondContact O-N 3.23Å; P406-F408 WeakPolarHBondContact O-CD2 3.4Å; F408-L429 HydrophobicContact CB-CB 3.89Å; F408-L429 HydrophobicContact CB-CD1 4.12Å; F408-L429 HydrophobicContact CD1-CB 3.69Å; F408-L429 WeakPolarHBondContact CD1-O 3.15Å; F408-L429 HydrophobicContact CG-CB 4.06Å; F408-E430 CarbonylContact C-O 3.57Å; F408-E430 WeakPolarHBondContact CA-O 3.45Å |
| 409 | L | 96.4 | Very high | 97.8 | Very high | 60 Ų | 60 | 58.1 Ų | 58.1 | 31% | 0.314 | 32% | 0.318 | S | S | . | . | trans | -77.7 | 134.6 | 170.6 | -69.6 | 174.2 | 0 | 0 | 0 | 111.1 | E430 L432 R435 | L409-E430 HydrophobicContact CD1-CB 4.29Å; L409-E430 HydrophobicContact CD1-CG 4.37Å; L409-E430 PolarHBondContact N-O 3.11Å; L409-L432 HydrophobicContact CD2-CD2 3.42Å; L409-L432 VanDerWaalsContact CD2-CD2 3.42Å; L409-L432 HydrophobicContact CG-CD2 3.82Å; L409-R435 HydrophobicContact CD1-CB 4.48Å; L409-R435 HydrophobicContact CD1-CG 4.28Å | ||
| 410 | T | 98 | Very high | 97.5 | Very high | 83 Ų | 83 | 59 Ų | 59 | 51% | 0.509 | 33% | 0.33 | S | S | . | . | trans | -68.7 | 133.5 | 176.4 | -58.9 | 0 | 0 | 0 | 0 | 111.3 | A402 A403 S404 I412 | A402-T410 HydrophobicContact CB-CG2 4.11Å; A403-T410 WeakPolarHBondContact O-CA 3.31Å; S404-T410 WeakPolarHBondContact CB-OG1 3.41Å; T410-I412 HydrophobicContact CG2-CG1 4.3Å | ||
| 411 | V | 98.5 | Very high | 97.4 | Very high | 43 Ų | 43 | 59.6 Ų | 59.6 | 26% | 0.261 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 134 | 174.4 | 175.5 | 0 | 0 | 0 | 0 | 109.9 | A402 A403 K413 F427 L429 | A402-V411 CarbonylContact C-O 3.52Å; A402-V411 VanDerWaalsContact CA-O 3.24Å; A402-V411 WeakPolarHBondContact CA-O 3.4Å; A403-V411 PolarHBondContact N-O 3.43Å; A403-V411 PolarHBondContact O-N 3.35Å; V411-K413 HydrophobicContact CG1-CG 4.45Å; V411-F427 HydrophobicContact CB-CD1 4.12Å; V411-F427 HydrophobicContact CG1-CD1 3.93Å; V411-F427 HydrophobicContact CG1-CE1 4.43Å; V411-L429 HydrophobicContact CB-CD2 3.89Å; V411-L429 HydrophobicContact CG2-CD2 3.72Å |
| 412 | I | 98.7 | Very high | 97.3 | Very high | 111 Ų | 111 | 60.4 Ų | 60.4 | 57% | 0.569 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 130.5 | -179.7 | -51 | -178.6 | 0 | 0 | 0 | 109.6 | K400 V401 A402 T410 | K400-I412 HydrophobicContact CB-CG2 4.09Å; V401-I412 CarbonylContact O-C 3.5Å; V401-I412 WeakPolarHBondContact O-CA 3.06Å; A402-I412 HydrophobicContact CB-CG1 3.82Å; T410-I412 HydrophobicContact CG2-CG1 4.3Å |
| 413 | K | 98.7 | Very high | 97.3 | Very high | 86 Ų | 86 | 61.9 Ų | 61.9 | 37% | 0.374 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 142.1 | 176.5 | -66.5 | -173.9 | 178.7 | -170.1 | 0 | 110.7 | K400 V401 V411 V415 V425 D426 F427 | K400-K413 CarbonylContact C-O 3.5Å; K400-K413 WeakPolarHBondContact CA-O 3.48Å; V401-K413 PolarHBondContact N-O 3.35Å; V401-K413 PolarHBondContact O-N 3.42Å; V411-K413 HydrophobicContact CG1-CG 4.45Å; K413-V415 HydrophobicContact CB-CG2 4.42Å; K413-V425 HydrophobicContact CB-CG1 4.38Å; K413-V425 HydrophobicContact CD-CG1 3.87Å; K413-D426 WeakPolarHBondContact CE-O 3.25Å; K413-D426 PolarHBondContact NZ-O 3.36Å; K413-F427 HydrophobicContact CB-CE1 4.07Å; K413-F427 HydrophobicContact CB-CZ 4.33Å; K413-F427 HydrophobicContact CD-CD1 4.15Å; K413-F427 HydrophobicContact CD-CE1 3.92Å; K413-F427 HydrophobicContact CD-CZ 4.42Å; K413-F427 HydrophobicContact CG-CD1 4.3Å; K413-F427 HydrophobicContact CG-CE1 3.77Å; K413-F427 HydrophobicContact CG-CZ 4.42Å |
| 414 | K | 98.5 | Very high | 97.3 | Very high | 179 Ų | 179 | 69.7 Ų | 69.7 | 78% | 0.778 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87 | 130.4 | 169.1 | -69.6 | 177.9 | -177.9 | 177 | 0 | 108.7 | Y399 K400 | Y399-K414 CarbonylContact O-C 3.52Å; Y399-K414 WeakPolarHBondContact O-CA 3.09Å; K400-K414 HydrophobicContact CG-CG 3.94Å |
| 415 | V | 98.2 | Very high | 97.3 | Very high | 11 Ų | 11 | 68.9 Ų | 68.9 | 7% | 0.067 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 131.6 | -173.3 | -171.9 | 0 | 0 | 0 | 0 | 109.2 | V356 N398 Y399 V401 K413 V417 T423 V425 | V356-V415 HydrophobicContact CG2-CG1 3.88Å; N398-V415 WeakPolarHBondContact CA-O 3.46Å; Y399-V415 PolarHBondContact N-O 3.22Å; Y399-V415 PolarHBondContact O-N 3.49Å; V401-V415 HydrophobicContact CB-CG2 4.34Å; V401-V415 HydrophobicContact CG2-CB 4.36Å; V401-V415 HydrophobicContact CG2-CG2 3.94Å; K413-V415 HydrophobicContact CB-CG2 4.42Å; V415-V417 HydrophobicContact CG1-CG2 4.18Å; V415-T423 HydrophobicContact CG1-CG2 3.91Å; V415-V425 HydrophobicContact CB-CG2 4.39Å; V415-V425 HydrophobicContact CG1-CG2 3.7Å; V415-V425 HydrophobicContact CG2-CG1 4.13Å; V415-V425 HydrophobicContact CG2-CG2 3.71Å |
| 416 | A | 98.3 | Very high | 97.3 | Very high | 64 Ų | 64 | 70.9 Ų | 70.9 | 53% | 0.529 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 118 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | N398 T423 | N398-A416 WeakPolarHBondContact OD1-CB 3.43Å; A416-T423 PolarHBondContact O-OG1 3.1Å |
| 417 | V | 98.3 | Very high | 97.4 | Very high | 8 Ų | 8 | 65.2 Ų | 65.2 | 5% | 0.048 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 117.5 | -177.8 | 175.4 | 0 | 0 | 0 | 0 | 108.7 | V356 L394 P396 G397 Y399 V415 | V356-V417 HydrophobicContact CG2-CG2 3.54Å; L394-V417 HydrophobicContact CB-CG1 4.19Å; L394-V417 HydrophobicContact CD1-CG2 4.19Å; P396-V417 VanDerWaalsContact CA-O 3.29Å; P396-V417 WeakPolarHBondContact CA-O 3.48Å; G397-V417 PolarHBondContact N-O 3.47Å; G397-V417 PolarHBondContact O-N 2.93Å; Y399-V417 HydrophobicContact CD2-CB 4.07Å; Y399-V417 HydrophobicContact CD2-CG2 3.59Å; Y399-V417 HydrophobicContact CE2-CB 3.97Å; Y399-V417 HydrophobicContact CE2-CG2 3.94Å; V415-V417 HydrophobicContact CG1-CG2 4.18Å |
| 418 | P | 97.3 | Very high | 97.5 | Very high | 56 Ų | 56 | 69.5 Ų | 69.5 | 36% | 0.364 | 36% | 0.361 | S | S | . | . | trans | -77.9 | -176.7 | 173.2 | 36.1 | -36.8 | 0 | 0 | 0 | 110.7 | P421 T423 | P418-P421 VanDerWaalsContact CG-O 3.29Å; P418-P421 WeakPolarHBondContact CG-O 3.1Å; P418-T423 WeakPolarHBondContact CD-OG1 3.49Å | ||
| 419 | Y | 92.4 | Very high | 97.5 | Very high | 131 Ų | 131 | 67.1 Ų | 67.1 | 51% | 0.514 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -65.1 | -49.2 | 172.8 | -173.8 | -95.6 | 0 | 0 | 0 | 112.8 | R354 P396 | R354-Y419 WeakPolarHBondContact CG-O 3.26Å; R354-Y419 PolarHBondContact NE-O 2.92Å; P396-Y419 HydrophobicContact CG-CD2 4Å |
| 420 | S | 92.3 | Very high | 97.5 | Very high | 61 Ų | 61 | 65.9 Ų | 65.9 | 43% | 0.427 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -167 | 151.4 | 176.8 | -177.9 | 0 | 0 | 0 | 0 | 107.1 | ||
| 421 | P | 95.9 | Very high | 97.3 | Very high | 93 Ų | 93 | 63 Ų | 63 | 60% | 0.604 | 33% | 0.327 | S | S | * | . | S | Bend | cis | -78.3 | 174.6 | -6.3 | 34.3 | -36.5 | 0 | 0 | 0 | 112.8 | H353 P418 | H353-P421 CarbonylContact O-C 3.53Å; P418-P421 VanDerWaalsContact CG-O 3.29Å; P418-P421 WeakPolarHBondContact CG-O 3.1Å |
| 422 | A | 97.7 | Very high | 97 | Very high | 17 Ų | 17 | 64.6 Ų | 64.6 | 14% | 0.14 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -59 | 137.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | H353 G355 K357 | H353-A422 WeakPolarHBondContact O-CA 3.48Å; H353-A422 WeakPolarHBondContact O-CB 3.38Å; H353-A422 PolarHBondContact O-N 2.9Å; G355-A422 CarbonylContact O-C 3.53Å; G355-A422 WeakPolarHBondContact O-CA 3.45Å; K357-A422 HydrophobicContact CD-CB 4.4Å; K357-A422 HydrophobicContact CG-CB 4.12Å |
| 423 | T | 98.5 | Very high | 96.4 | Very high | 41 Ų | 41 | 66.6 Ų | 66.6 | 25% | 0.252 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 127.3 | 176.1 | -59.9 | 0 | 0 | 0 | 0 | 109.7 | G355 V356 K357 V415 A416 P418 V425 | G355-T423 PolarHBondContact O-N 3.24Å; V356-T423 WeakPolarHBondContact CA-O 3.41Å; V356-T423 WeakPolarHBondContact CG1-O 3.47Å; K357-T423 PolarHBondContact N-O 3.43Å; V415-T423 HydrophobicContact CG1-CG2 3.91Å; A416-T423 PolarHBondContact O-OG1 3.1Å; P418-T423 WeakPolarHBondContact CD-OG1 3.49Å; T423-V425 HydrophobicContact CG2-CG2 4.1Å; T423-V425 PolarHBondContact O-N 3.43Å |
| 424 | R | 98.4 | Very high | 95.7 | Very high | 165 Ų | 165 | 65 Ų | 65 | 62% | 0.623 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 124.3 | 175.2 | -175.8 | 172.2 | 172.1 | 165.7 | -2.8 | 111.2 | K357 D426 | K357-R424 CarbonylContact O-C 3.48Å; K357-R424 WeakPolarHBondContact O-CA 3.2Å; R424-D426 IonicContact CZ-OD2 3.14Å; R424-D426 IonicContact NE-OD1 2.82Å; R424-D426 PolarHBondContact NE-OD1 2.82Å; R424-D426 IonicContact NE-OD2 2.99Å; R424-D426 PolarHBondContact NE-OD2 3.22Å; R424-D426 IonicContact NH2-OD1 2.82Å; R424-D426 IonicContact NH2-OD2 3.73Å; R424-D426 PolarHBondContact NH2-OD2 2.93Å |
| 425 | V | 98.6 | Very high | 95.2 | Very high | 14 Ų | 14 | 61 Ų | 61 | 9% | 0.085 | 32% | 0.316 | C | S | . | . | trans | -137.9 | 101.8 | 178.5 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | V356 K357 Y390 K413 V415 T423 F427 | V356-V425 HydrophobicContact CG1-CB 3.71Å; V356-V425 HydrophobicContact CG1-CG2 3.61Å; K357-V425 PolarHBondContact O-N 3.15Å; Y390-V425 WeakPolarHBondContact CE1-O 3.26Å; Y390-V425 PolarHBondContact OH-O 2.73Å; K413-V425 HydrophobicContact CB-CG1 4.38Å; K413-V425 HydrophobicContact CD-CG1 3.87Å; V415-V425 HydrophobicContact CB-CG2 4.39Å; V415-V425 HydrophobicContact CG1-CG2 3.7Å; V415-V425 HydrophobicContact CG2-CG1 4.13Å; V415-V425 HydrophobicContact CG2-CG2 3.71Å; T423-V425 HydrophobicContact CG2-CG2 4.1Å; T423-V425 PolarHBondContact O-N 3.43Å; V425-F427 HydrophobicContact CG1-CD2 4.38Å; V425-F427 HydrophobicContact CG1-CE2 3.72Å; V425-F427 HydrophobicContact CG1-CZ 3.85Å | ||
| 426 | D | 98.8 | Very high | 94.6 | Very high | 55 Ų | 55 | 67.4 Ų | 67.4 | 29% | 0.294 | 34% | 0.343 | S | S | . | . | trans | -89.8 | 148.6 | 176.4 | -60.4 | -24.6 | 0 | 0 | 0 | 110 | G358 F359 K413 R424 | G358-D426 VanDerWaalsContact CA-OD1 3.24Å; G358-D426 WeakPolarHBondContact CA-OD1 3.28Å; F359-D426 PolarHBondContact N-OD1 3.1Å; F359-D426 CarbonylContact O-C 3.57Å; F359-D426 VanDerWaalsContact O-CA 3.27Å; F359-D426 WeakPolarHBondContact O-CA 3.24Å; K413-D426 WeakPolarHBondContact CE-O 3.25Å; K413-D426 PolarHBondContact NZ-O 3.36Å; R424-D426 IonicContact CZ-OD2 3.14Å; R424-D426 IonicContact NE-OD1 2.82Å; R424-D426 PolarHBondContact NE-OD1 2.82Å; R424-D426 IonicContact NE-OD2 2.99Å; R424-D426 PolarHBondContact NE-OD2 3.22Å; R424-D426 IonicContact NH2-OD1 2.82Å; R424-D426 IonicContact NH2-OD2 3.73Å; R424-D426 PolarHBondContact NH2-OD2 2.93Å | ||
| 427 | F | 98.8 | Very high | 94 | Very high | 1 Ų | 1 | 69.1 Ų | 69.1 | 0% | 0.004 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 134.1 | 176.6 | -67.2 | -92.9 | 0 | 0 | 0 | 110 | F359 V360 R361 I373 Y390 V401 A403 V411 K413 V425 L429 | F359-F427 PolarHBondContact O-N 3.42Å; V360-F427 CarbonylContact C-O 3.46Å; V360-F427 WeakPolarHBondContact CA-O 3.24Å; V360-F427 HydrophobicContact CG1-CB 4.34Å; V360-F427 HydrophobicContact CG2-CB 4.28Å; V360-F427 HydrophobicContact CG2-CD2 4.46Å; R361-F427 PolarHBondContact N-O 3.43Å; I373-F427 HydrophobicContact CD1-CD2 4.39Å; I373-F427 HydrophobicContact CD1-CE2 4.4Å; Y390-F427 HydrophobicContact CE1-CD2 4.17Å; Y390-F427 HydrophobicContact CE1-CE2 4.35Å; Y390-F427 WeakPolarHBondContact OH-CE2 3.46Å; V401-F427 HydrophobicContact CB-CZ 4.13Å; V401-F427 HydrophobicContact CG1-CE2 4.2Å; V401-F427 HydrophobicContact CG1-CZ 3.85Å; A403-F427 HydrophobicContact CB-CB 3.65Å; A403-F427 HydrophobicContact CB-CD1 3.51Å; A403-F427 HydrophobicContact CB-CD2 3.69Å; A403-F427 HydrophobicContact CB-CE1 3.99Å; A403-F427 HydrophobicContact CB-CE2 4.13Å; A403-F427 HydrophobicContact CB-CG 3.34Å; A403-F427 HydrophobicContact CB-CZ 4.28Å; V411-F427 HydrophobicContact CB-CD1 4.12Å; V411-F427 HydrophobicContact CG1-CD1 3.93Å; V411-F427 HydrophobicContact CG1-CE1 4.43Å; K413-F427 HydrophobicContact CB-CE1 4.07Å; K413-F427 HydrophobicContact CB-CZ 4.33Å; K413-F427 HydrophobicContact CD-CD1 4.15Å; K413-F427 HydrophobicContact CD-CE1 3.92Å; K413-F427 HydrophobicContact CD-CZ 4.42Å; K413-F427 HydrophobicContact CG-CD1 4.3Å; K413-F427 HydrophobicContact CG-CE1 3.77Å; K413-F427 HydrophobicContact CG-CZ 4.42Å; V425-F427 HydrophobicContact CG1-CD2 4.38Å; V425-F427 HydrophobicContact CG1-CE2 3.72Å; V425-F427 HydrophobicContact CG1-CZ 3.85Å; F427-L429 HydrophobicContact CB-CD2 4.34Å |
| 428 | E | 98.2 | Very high | 93.3 | Very high | 131 Ų | 131 | 73 Ų | 73 | 61% | 0.612 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 121.4 | 171.2 | -69.1 | 173.3 | -177.8 | 0 | 0 | 106.9 | R361 L363 | R361-E428 CarbonylContact O-C 3.49Å; R361-E428 VanDerWaalsContact O-CA 3.29Å; R361-E428 WeakPolarHBondContact O-CA 3.39Å; L363-E428 HydrophobicContact CD2-CB 4.34Å |
| 429 | L | 97.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 130 | -176.4 | -52.5 | -172.7 | 0 | 0 | 0 | 110.3 | V360 R361 D362 I368 A403 A405 F408 V411 F427 | V360-L429 HydrophobicContact CG1-CD1 3.57Å; V360-L429 HydrophobicContact CG1-CG 3.74Å; R361-L429 PolarHBondContact O-N 3.3Å; D362-L429 WeakPolarHBondContact CA-O 3.36Å; I368-L429 HydrophobicContact CD1-CB 4.04Å; I368-L429 HydrophobicContact CD1-CD1 4.1Å; I368-L429 HydrophobicContact CD1-CG 4.27Å; A403-L429 HydrophobicContact CB-CD2 4.16Å; A405-L429 HydrophobicContact CB-CD1 4.06Å; F408-L429 HydrophobicContact CB-CB 3.89Å; F408-L429 HydrophobicContact CB-CD1 4.12Å; F408-L429 HydrophobicContact CD1-CB 3.69Å; F408-L429 WeakPolarHBondContact CD1-O 3.15Å; F408-L429 HydrophobicContact CG-CB 4.06Å; V411-L429 HydrophobicContact CB-CD2 3.89Å; V411-L429 HydrophobicContact CG2-CD2 3.72Å; F427-L429 HydrophobicContact CB-CD2 4.34Å |
| 430 | E | 96.1 | Very high | 92.6 | Very high | 34 Ų | 34 | 75 Ų | 75 | 16% | 0.159 | 36% | 0.361 | C | S | . | . | trans | -82 | 134.7 | 174.6 | -178 | -175.3 | 171.9 | 0 | 0 | 110.5 | L363 F408 L409 R435 | L363-E430 HydrophobicContact CD1-CB 3.89Å; L363-E430 HydrophobicContact CD1-CG 3.82Å; L363-E430 HydrophobicContact CG-CB 4.35Å; F408-E430 CarbonylContact C-O 3.57Å; F408-E430 WeakPolarHBondContact CA-O 3.45Å; L409-E430 HydrophobicContact CD1-CB 4.29Å; L409-E430 HydrophobicContact CD1-CG 4.37Å; L409-E430 PolarHBondContact N-O 3.11Å; E430-R435 WeakPolarHBondContact OE1-CA 3.5Å; E430-R435 WeakPolarHBondContact OE1-CB 3.3Å; E430-R435 WeakPolarHBondContact OE1-CD 3.47Å; E430-R435 IonicContact OE1-NH1 3.02Å; E430-R435 IonicContact OE2-NH1 3.41Å | ||
| 431 | S | 93.8 | Very high | 92.5 | Very high | 22 Ų | 22 | 77.6 Ų | 77.6 | 15% | 0.154 | 37% | 0.366 | C | S | . | . | B | Isolated β-bridge | trans | -70.9 | 139.8 | 175.3 | -178.3 | 0 | 0 | 0 | 0 | 111.1 | M433 E434 R435 | S431-M433 PolarHBondContact O-N 3.25Å; S431-M433 VanDerWaalsContact O-N 3.15Å; S431-M433 PolarHBondContact OG-N 3.43Å; S431-E434 VanDerWaalsContact CB-OE2 3.23Å; S431-E434 WeakPolarHBondContact CB-OE2 3.49Å; S431-E434 PolarHBondContact N-OE2 2.66Å; S431-E434 PolarHBondContact O-N 3Å; S431-R435 PolarHBondContact O-N 2.95Å |
| 432 | L | 91.1 | Very high | 92.2 | Very high | 76 Ų | 76 | 79.2 Ų | 79.2 | 40% | 0.398 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.5 | -22 | 171.4 | -67.8 | 174.8 | 0 | 0 | 0 | 113 | G407 L409 K436 | G407-L432 WeakPolarHBondContact O-CB 3.38Å; G407-L432 WeakPolarHBondContact O-CG 3.2Å; G407-L432 PolarHBondContact O-N 2.83Å; L409-L432 HydrophobicContact CD2-CD2 3.42Å; L409-L432 VanDerWaalsContact CD2-CD2 3.42Å; L409-L432 HydrophobicContact CG-CD2 3.82Å; L432-K436 VanDerWaalsContact O-CG 3.3Å; L432-K436 WeakPolarHBondContact O-CG 3.45Å; L432-K436 PolarHBondContact O-N 2.86Å |
| 433 | M | 86.9 | Confident | 91.8 | Very high | 153 Ų | 153 | 83.1 Ų | 83.1 | 75% | 0.754 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -76.4 | -45 | 175.2 | -71 | -174 | 61.7 | 0 | 0 | 111.5 | S431 R435 K436 E437 | S431-M433 PolarHBondContact O-N 3.25Å; S431-M433 VanDerWaalsContact O-N 3.15Å; S431-M433 PolarHBondContact OG-N 3.43Å; M433-R435 VanDerWaalsContact C-N 3.34Å; M433-K436 PolarHBondContact O-N 3.12Å; M433-E437 PolarHBondContact O-N 3.28Å; M433-E437 VanDerWaalsContact O-N 3.1Å |
| 434 | E | 83.9 | Confident | 91.3 | Very high | 53 Ų | 53 | 87.1 Ų | 87.1 | 25% | 0.248 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -59.6 | -47.7 | 175.9 | -67.5 | 166 | 162.3 | 0 | 0 | 110.1 | Q364 S431 K436 E437 E438 | Q364-E434 PolarHBondContact NE2-OE1 3.01Å; Q364-E434 PolarHBondContact OE1-OE1 2.82Å; S431-E434 VanDerWaalsContact CB-OE2 3.23Å; S431-E434 WeakPolarHBondContact CB-OE2 3.49Å; S431-E434 PolarHBondContact N-OE2 2.66Å; S431-E434 PolarHBondContact O-N 3Å; E434-K436 VanDerWaalsContact C-N 3.27Å; E434-K436 PolarHBondContact O-N 3.21Å; E434-E437 WeakPolarHBondContact O-CA 3.27Å; E434-E437 WeakPolarHBondContact O-CB 3.39Å; E434-E437 PolarHBondContact O-N 2.92Å; E434-E438 PolarHBondContact O-N 3.02Å |
| 435 | R | 87 | Confident | 90.8 | Very high | 95 Ų | 95 | 84.4 Ų | 84.4 | 36% | 0.358 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -53 | -44.2 | 176.2 | -175.2 | 67.8 | -175 | -165.5 | 11.6 | 113.2 | L409 E430 S431 M433 E437 E438 E439 | L409-R435 HydrophobicContact CD1-CB 4.48Å; L409-R435 HydrophobicContact CD1-CG 4.28Å; E430-R435 WeakPolarHBondContact OE1-CA 3.5Å; E430-R435 WeakPolarHBondContact OE1-CB 3.3Å; E430-R435 WeakPolarHBondContact OE1-CD 3.47Å; E430-R435 IonicContact OE1-NH1 3.02Å; E430-R435 IonicContact OE2-NH1 3.41Å; S431-R435 PolarHBondContact O-N 2.95Å; M433-R435 VanDerWaalsContact C-N 3.34Å; R435-E437 VanDerWaalsContact C-N 3.32Å; R435-E438 PolarHBondContact O-N 3.4Å; R435-E439 IonicContact NE-OE1 3Å; R435-E439 PolarHBondContact NE-OE1 3.23Å; R435-E439 WeakPolarHBondContact O-CB 3.43Å; R435-E439 VanDerWaalsContact O-CG 3.27Å; R435-E439 WeakPolarHBondContact O-CG 3.39Å; R435-E439 PolarHBondContact O-N 3.1Å |
| 436 | K | 85.6 | Confident | 90.4 | Very high | 146 Ų | 146 | 89.8 Ų | 89.8 | 64% | 0.635 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -68.5 | -32.6 | 179.2 | -77.5 | 174.9 | -178.9 | 177.4 | 0 | 112.5 | L432 M433 E434 R440 | L432-K436 VanDerWaalsContact O-CG 3.3Å; L432-K436 WeakPolarHBondContact O-CG 3.45Å; L432-K436 PolarHBondContact O-N 2.86Å; M433-K436 PolarHBondContact O-N 3.12Å; E434-K436 VanDerWaalsContact C-N 3.27Å; E434-K436 PolarHBondContact O-N 3.21Å; K436-R440 WeakPolarHBondContact O-CB 3.45Å; K436-R440 PolarHBondContact O-N 3.36Å; K436-R440 VanDerWaalsContact O-N 3.09Å |
| 437 | E | 85.8 | Confident | 89.8 | Confident | 100 Ų | 100 | 95.1 Ų | 95.1 | 47% | 0.467 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -72.1 | -44.2 | 176.4 | -174.6 | 145 | -132 | 0 | 0 | 110.8 | M433 E434 R435 R440 E441 | M433-E437 PolarHBondContact O-N 3.28Å; M433-E437 VanDerWaalsContact O-N 3.1Å; E434-E437 WeakPolarHBondContact O-CA 3.27Å; E434-E437 WeakPolarHBondContact O-CB 3.39Å; E434-E437 PolarHBondContact O-N 2.92Å; R435-E437 VanDerWaalsContact C-N 3.32Å; E437-R440 WeakPolarHBondContact O-CB 3.38Å; E437-R440 PolarHBondContact O-N 3.31Å; E437-R440 VanDerWaalsContact O-N 3.15Å; E437-R440 IonicContact OE1-CZ 3.74Å; E437-R440 IonicContact OE1-NH2 2.8Å; E437-R440 PolarHBondContact OE1-NH2 2.87Å; E437-E441 WeakPolarHBondContact O-CG 3.45Å; E437-E441 PolarHBondContact O-N 3.41Å |
| 438 | E | 84.7 | Confident | 89.2 | Confident | 90 Ų | 90 | 100.8 Ų | 100.8 | 42% | 0.421 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59 | -47.9 | 172.1 | -70.8 | -172.7 | 172.9 | 0 | 0 | 111.5 | E434 R435 R440 E441 E442 | E434-E438 PolarHBondContact O-N 3.02Å; R435-E438 PolarHBondContact O-N 3.4Å; E438-R440 PolarHBondContact O-N 2.76Å; E438-E441 PolarHBondContact O-N 3.31Å; E438-E442 WeakPolarHBondContact O-CG 3.37Å; E438-E442 PolarHBondContact O-N 3.02Å |
| 439 | E | 87.3 | Confident | 88.7 | Confident | 86 Ų | 86 | 99.6 Ų | 99.6 | 40% | 0.402 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.3 | -35.8 | 176 | -76.8 | 173.7 | -177.2 | 0 | 0 | 112.2 | R435 L443 | R435-E439 IonicContact NE-OE1 3Å; R435-E439 PolarHBondContact NE-OE1 3.23Å; R435-E439 WeakPolarHBondContact O-CB 3.43Å; R435-E439 VanDerWaalsContact O-CG 3.27Å; R435-E439 WeakPolarHBondContact O-CG 3.39Å; R435-E439 PolarHBondContact O-N 3.1Å; E439-L443 VanDerWaalsContact O-CB 3.29Å; E439-L443 WeakPolarHBondContact O-CB 3.37Å; E439-L443 WeakPolarHBondContact O-CD1 3.41Å; E439-L443 VanDerWaalsContact O-CG 3.25Å; E439-L443 WeakPolarHBondContact O-CG 3.41Å; E439-L443 PolarHBondContact O-N 3.31Å |
| 440 | R | 87.4 | Confident | 88.1 | Confident | 142 Ų | 142 | 102.2 Ų | 102.2 | 54% | 0.536 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.5 | -43.1 | 174.6 | -172 | -173 | 72.5 | -161.3 | -6.3 | 110.9 | K436 E437 E438 L443 M444 | K436-R440 WeakPolarHBondContact O-CB 3.45Å; K436-R440 PolarHBondContact O-N 3.36Å; K436-R440 VanDerWaalsContact O-N 3.09Å; E437-R440 WeakPolarHBondContact O-CB 3.38Å; E437-R440 PolarHBondContact O-N 3.31Å; E437-R440 VanDerWaalsContact O-N 3.15Å; E437-R440 IonicContact OE1-CZ 3.74Å; E437-R440 IonicContact OE1-NH2 2.8Å; E437-R440 PolarHBondContact OE1-NH2 2.87Å; E438-R440 PolarHBondContact O-N 2.76Å; R440-L443 PolarHBondContact O-N 3.25Å; R440-M444 WeakPolarHBondContact O-CB 3.45Å; R440-M444 WeakPolarHBondContact O-CG 3.46Å; R440-M444 PolarHBondContact O-N 2.94Å |
| 441 | E | 89.4 | Confident | 87.5 | Confident | 116 Ų | 116 | 103.1 Ų | 103.1 | 54% | 0.542 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.4 | -46.4 | 177.3 | -71.8 | -170.8 | 169.4 | 0 | 0 | 111.7 | E437 E438 L443 M444 D445 | E437-E441 WeakPolarHBondContact O-CG 3.45Å; E437-E441 PolarHBondContact O-N 3.41Å; E438-E441 PolarHBondContact O-N 3.31Å; E441-L443 VanDerWaalsContact C-N 3.31Å; E441-L443 PolarHBondContact O-N 3.17Å; E441-M444 PolarHBondContact O-N 2.95Å; E441-M444 VanDerWaalsContact O-N 3.09Å; E441-D445 PolarHBondContact O-N 3.06Å |
| 442 | E | 89.8 | Confident | 86.9 | Confident | 126 Ų | 126 | 108.4 Ų | 108.4 | 59% | 0.589 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -57.7 | -43.1 | 174.9 | -72.8 | -174.6 | 164.8 | 0 | 0 | 111.8 | E438 W446 | E438-E442 WeakPolarHBondContact O-CG 3.37Å; E438-E442 PolarHBondContact O-N 3.02Å; E442-W446 VanDerWaalsContact O-CB 3.29Å; E442-W446 WeakPolarHBondContact O-CB 3.32Å; E442-W446 PolarHBondContact O-N 3.29Å |
| 443 | L | 89.4 | Confident | 86.3 | Confident | 100 Ų | 100 | 109.8 Ų | 109.8 | 52% | 0.524 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.5 | -45.5 | 174.3 | -82 | 165.5 | 0 | 0 | 0 | 111.4 | E439 R440 E441 W446 W447 | E439-L443 VanDerWaalsContact O-CB 3.29Å; E439-L443 WeakPolarHBondContact O-CB 3.37Å; E439-L443 WeakPolarHBondContact O-CD1 3.41Å; E439-L443 VanDerWaalsContact O-CG 3.25Å; E439-L443 WeakPolarHBondContact O-CG 3.41Å; E439-L443 PolarHBondContact O-N 3.31Å; R440-L443 PolarHBondContact O-N 3.25Å; E441-L443 VanDerWaalsContact C-N 3.31Å; E441-L443 PolarHBondContact O-N 3.17Å; L443-W446 PolarHBondContact O-N 3.04Å; L443-W447 WeakPolarHBondContact O-CB 3.34Å; L443-W447 PolarHBondContact O-N 3.14Å |
| 444 | M | 87.6 | Confident | 85.7 | Confident | 124 Ų | 124 | 107.4 Ų | 107.4 | 61% | 0.611 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.2 | -40.7 | 179.6 | -72.6 | -63.1 | -66.7 | 0 | 0 | 112 | R440 E441 W447 K448 | R440-M444 WeakPolarHBondContact O-CB 3.45Å; R440-M444 WeakPolarHBondContact O-CG 3.46Å; R440-M444 PolarHBondContact O-N 2.94Å; E441-M444 PolarHBondContact O-N 2.95Å; E441-M444 VanDerWaalsContact O-N 3.09Å; M444-W447 PolarHBondContact O-N 3.05Å; M444-K448 WeakPolarHBondContact O-CB 3.21Å; M444-K448 PolarHBondContact O-N 2.85Å |
| 445 | D | 88.9 | Confident | 84.5 | Confident | 109 Ų | 109 | 112.3 Ų | 112.3 | 58% | 0.583 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.2 | -41 | 175.4 | -88.1 | -5.4 | 0 | 0 | 0 | 111.8 | E441 K448 M449 | E441-D445 PolarHBondContact O-N 3.06Å; D445-K448 WeakPolarHBondContact O-CB 3.34Å; D445-K448 PolarHBondContact O-N 2.97Å; D445-M449 WeakPolarHBondContact O-CB 3.32Å; D445-M449 PolarHBondContact O-N 3.3Å |
| 446 | W | 89.2 | Confident | 83.2 | Confident | 127 Ų | 127 | 119.3 Ų | 119.3 | 48% | 0.481 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.3 | -46 | 172.1 | 179.8 | 87.4 | 0 | 0 | 0 | 111.5 | E442 L443 K448 M449 M450 | E442-W446 VanDerWaalsContact O-CB 3.29Å; E442-W446 WeakPolarHBondContact O-CB 3.32Å; E442-W446 PolarHBondContact O-N 3.29Å; L443-W446 PolarHBondContact O-N 3.04Å; W446-K448 VanDerWaalsContact C-N 3.32Å; W446-K448 PolarHBondContact O-N 3.05Å; W446-M449 PolarHBondContact O-N 3.36Å; W446-M450 HydrophobicContact CD2-CG 3.82Å; W446-M450 VanDerWaalsContact CE2-CG 3.47Å; W446-M450 HydrophobicContact CE3-CG 4.21Å; W446-M450 HydrophobicContact CG-CG 4.38Å; W446-M450 HydrophobicContact CH2-CG 4.01Å; W446-M450 HydrophobicContact CZ2-CE 4.26Å; W446-M450 HydrophobicContact CZ2-CG 3.6Å; W446-M450 HydrophobicContact CZ2-SD 4.24Å; W446-M450 HydrophobicContact CZ3-CG 4.29Å; W446-M450 WeakPolarHBondContact O-CB 3.49Å; W446-M450 VanDerWaalsContact O-CG 3.27Å; W446-M450 WeakPolarHBondContact O-CG 3.41Å; W446-M450 PolarHBondContact O-N 3.48Å |
| 447 | W | 86.3 | Confident | 83 | Confident | 167 Ų | 167 | 118 Ų | 118 | 63% | 0.633 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -59.4 | -43.2 | 175.9 | -91.1 | 102.2 | 0 | 0 | 0 | 111.7 | L443 M444 M450 S451 | L443-W447 WeakPolarHBondContact O-CB 3.34Å; L443-W447 PolarHBondContact O-N 3.14Å; M444-W447 PolarHBondContact O-N 3.05Å; W447-M450 PolarHBondContact O-N 2.93Å; W447-S451 WeakPolarHBondContact O-CB 3.49Å; W447-S451 PolarHBondContact O-N 3.29Å; W447-S451 PolarHBondContact O-OG 2.88Å |
| 448 | K | 87.9 | Confident | 82.9 | Confident | 120 Ų | 120 | 118.9 Ų | 118.9 | 52% | 0.522 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.8 | -51.7 | 175.9 | -174.5 | -178.1 | 175.8 | -171.7 | 0 | 111.1 | M444 D445 W446 M450 S451 E452 | M444-K448 WeakPolarHBondContact O-CB 3.21Å; M444-K448 PolarHBondContact O-N 2.85Å; D445-K448 WeakPolarHBondContact O-CB 3.34Å; D445-K448 PolarHBondContact O-N 2.97Å; W446-K448 VanDerWaalsContact C-N 3.32Å; W446-K448 PolarHBondContact O-N 3.05Å; K448-M450 VanDerWaalsContact C-N 3.32Å; K448-M450 PolarHBondContact O-N 3.3Å; K448-S451 PolarHBondContact O-N 2.98Å; K448-S451 PolarHBondContact O-OG 3.2Å; K448-E452 WeakPolarHBondContact CE-OE1 3.45Å; K448-E452 WeakPolarHBondContact O-CG 3.3Å; K448-E452 PolarHBondContact O-N 3Å |
| 449 | M | 87 | Confident | 82.8 | Confident | 106 Ų | 106 | 120.5 Ų | 120.5 | 52% | 0.522 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -59.3 | -42.4 | 178.4 | -172.3 | -176.9 | 69.2 | 0 | 0 | 112 | D445 W446 E452 T453 | D445-M449 WeakPolarHBondContact O-CB 3.32Å; D445-M449 PolarHBondContact O-N 3.3Å; W446-M449 PolarHBondContact O-N 3.36Å; M449-E452 PolarHBondContact O-N 3.24Å; M449-T453 WeakPolarHBondContact O-CB 3.49Å; M449-T453 PolarHBondContact O-N 3.26Å; M449-T453 PolarHBondContact O-OG1 2.91Å |
| 450 | M | 85.5 | Confident | 82.5 | Confident | 55 Ų | 55 | 122.5 Ų | 122.5 | 27% | 0.271 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68.7 | -37.5 | 178.1 | -72.4 | -59.9 | -68.6 | 0 | 0 | 112.6 | W446 W447 K448 T453 L454 | W446-M450 HydrophobicContact CD2-CG 3.82Å; W446-M450 VanDerWaalsContact CE2-CG 3.47Å; W446-M450 HydrophobicContact CE3-CG 4.21Å; W446-M450 HydrophobicContact CG-CG 4.38Å; W446-M450 HydrophobicContact CH2-CG 4.01Å; W446-M450 HydrophobicContact CZ2-CE 4.26Å; W446-M450 HydrophobicContact CZ2-CG 3.6Å; W446-M450 HydrophobicContact CZ2-SD 4.24Å; W446-M450 HydrophobicContact CZ3-CG 4.29Å; W446-M450 WeakPolarHBondContact O-CB 3.49Å; W446-M450 VanDerWaalsContact O-CG 3.27Å; W446-M450 WeakPolarHBondContact O-CG 3.41Å; W446-M450 PolarHBondContact O-N 3.48Å; W447-M450 PolarHBondContact O-N 2.93Å; K448-M450 VanDerWaalsContact C-N 3.32Å; K448-M450 PolarHBondContact O-N 3.3Å; M450-T453 PolarHBondContact O-N 3.31Å; M450-L454 HydrophobicContact CE-CD1 3.57Å; M450-L454 HydrophobicContact CE-CG 4.23Å; M450-L454 VanDerWaalsContact O-CB 3.27Å; M450-L454 WeakPolarHBondContact O-CB 2.97Å; M450-L454 WeakPolarHBondContact O-CG 3.22Å; M450-L454 PolarHBondContact O-N 3.47Å |
| 451 | S | 82.1 | Confident | 82.2 | Confident | 53 Ų | 53 | 121.3 Ų | 121.3 | 37% | 0.371 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.6 | -42 | 174.5 | 69.5 | 0 | 0 | 0 | 0 | 112.1 | W447 K448 T453 N455 | W447-S451 WeakPolarHBondContact O-CB 3.49Å; W447-S451 PolarHBondContact O-N 3.29Å; W447-S451 PolarHBondContact O-OG 2.88Å; K448-S451 PolarHBondContact O-N 2.98Å; K448-S451 PolarHBondContact O-OG 3.2Å; S451-T453 VanDerWaalsContact C-N 3.33Å; S451-T453 PolarHBondContact O-N 3.47Å; S451-N455 PolarHBondContact O-N 3.49Å |
| 452 | E | 82.1 | Confident | 81.7 | Confident | 133 Ų | 133 | 121.7 Ų | 121.7 | 62% | 0.621 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.1 | -32.8 | 176.1 | -70.1 | 175.4 | -174.8 | 0 | 0 | 112.2 | K448 M449 | K448-E452 WeakPolarHBondContact CE-OE1 3.45Å; K448-E452 WeakPolarHBondContact O-CG 3.3Å; K448-E452 PolarHBondContact O-N 3Å; M449-E452 PolarHBondContact O-N 3.24Å |
| 453 | T | 77.9 | Confident | 81.2 | Confident | 104 Ų | 104 | 121.4 Ų | 121.4 | 64% | 0.638 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -83.4 | -31.2 | -178.7 | -50.5 | 0 | 0 | 0 | 0 | 113 | M449 M450 S451 | M449-T453 WeakPolarHBondContact O-CB 3.49Å; M449-T453 PolarHBondContact O-N 3.26Å; M449-T453 PolarHBondContact O-OG1 2.91Å; M450-T453 PolarHBondContact O-N 3.31Å; S451-T453 VanDerWaalsContact C-N 3.33Å; S451-T453 PolarHBondContact O-N 3.47Å |
| 454 | L | 74.9 | Confident | 80.5 | Confident | 103 Ų | 103 | 123 Ų | 123 | 54% | 0.539 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -97.4 | 1.9 | -175.2 | -68.8 | 172.7 | 0 | 0 | 0 | 114.6 | M450 F456 | M450-L454 HydrophobicContact CE-CD1 3.57Å; M450-L454 HydrophobicContact CE-CG 4.23Å; M450-L454 VanDerWaalsContact O-CB 3.27Å; M450-L454 WeakPolarHBondContact O-CB 2.97Å; M450-L454 WeakPolarHBondContact O-CG 3.22Å; M450-L454 PolarHBondContact O-N 3.47Å; L454-F456 HydrophobicContact CB-CD2 4.32Å; L454-F456 PolarHBondContact O-N 2.89Å |
| 455 | N | 59 | Low | 79.9 | Confident | 157 Ų | 157 | 122.9 Ų | 122.9 | 84% | 0.84 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.7 | 50.2 | 179.6 | -93.1 | -10.1 | 0 | 0 | 0 | 113.2 | S451 | S451-N455 PolarHBondContact O-N 3.49Š|
| 456 | F | 58.5 | Low | 79.1 | Confident | 241 Ų | 241 | 124.2 Ų | 124.2 | 100% | 1.057 | 59% | 0.59 | S | S | * | * | trans | -98 | 0 | 163.5 | -87.5 | -78.9 | 0 | 0 | 0 | 111.5 | L454 | L454-F456 HydrophobicContact CB-CD2 4.32Å; L454-F456 PolarHBondContact O-N 2.89Å |
Retrieved 456 of 456 residues in 782.1 ms
(Link to these results)