| 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 | 34.9 | Very low | 32.3 | Very low | 253 Ų | 253 | 151.3 Ų | 151.3 | 100% | 1.246 | 82% | 0.815 | S | S | * | * | 0 | 138.3 | 0 | -61.7 | 165.1 | 175.7 | 0 | 0 | 107.2 | |||||
| 2 | G | 32.3 | Very low | 32.6 | Very low | 81 Ų | 81 | 150.4 Ų | 150.4 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | cis | 170.8 | 128.9 | -7.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 3 | G | 30.4 | Very low | 32.4 | Very low | 70 Ų | 70 | 148.8 Ų | 148.8 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | 109.4 | 125.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 4 | R | 34.1 | Very low | 32.1 | Very low | 252 Ų | 252 | 154.4 Ų | 154.4 | 95% | 0.951 | 81% | 0.814 | S | S | * | * | cis | 71.4 | 138.9 | 31.8 | -62.8 | -174.9 | 168.8 | -176.1 | -3.1 | 113.9 | ||||
| 5 | K | 37 | Very low | 32.3 | Very low | 163 Ų | 163 | 149.3 Ų | 149.3 | 71% | 0.709 | 81% | 0.813 | S | S | * | * | cis | -165.5 | 162.3 | -16.8 | -148.2 | -160.4 | 165.2 | -139.9 | 0 | 105.5 | ||||
| 6 | M | 30.9 | Very low | 32.4 | Very low | 151 Ų | 151 | 149.5 Ų | 149.5 | 74% | 0.744 | 81% | 0.813 | S | S | * | * | cis | -136.7 | 173.2 | 9.3 | -29.5 | -154 | -164.6 | 0 | 0 | 109.2 | ||||
| 7 | A | 31.5 | Very low | 32.6 | Very low | 65 Ų | 65 | 151.4 Ų | 151.4 | 54% | 0.537 | 82% | 0.815 | S | S | . | * | cis | 82 | 96.9 | 14.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 8 | T | 29.4 | Very low | 32.7 | Very low | 130 Ų | 130 | 152.7 Ų | 152.7 | 80% | 0.798 | 82% | 0.815 | S | S | * | * | trans | -178 | 118.7 | 149.9 | 34.9 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 9 | D | 30.5 | Very low | 32.9 | Very low | 141 Ų | 141 | 152.8 Ų | 152.8 | 75% | 0.754 | 82% | 0.816 | S | S | * | * | cis | 64.8 | 136.8 | 45.1 | -44 | -49.1 | 0 | 0 | 0 | 110.6 | ||||
| 10 | E | 31.6 | Very low | 33.1 | Very low | 198 Ų | 198 | 149.4 Ų | 149.4 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | cis | -143.3 | -174.8 | 31.2 | -65.1 | 178.4 | 131.1 | 0 | 0 | 114.1 | ||||
| 11 | E | 32.8 | Very low | 33.5 | Very low | 160 Ų | 160 | 150 Ų | 150 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | -103 | 148.5 | -178.9 | -118.9 | -164.1 | 118.5 | 0 | 0 | 114.5 | ||||
| 12 | N | 36.2 | Very low | 33.6 | Very low | 141 Ų | 141 | 143.3 Ų | 143.3 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | 24.8 | 105.1 | 149.5 | -69.3 | -46.2 | 0 | 0 | 0 | 120.6 | ||||
| 13 | V | 29.3 | Very low | 34.2 | Very low | 130 Ų | 130 | 149.1 Ų | 149.1 | 79% | 0.788 | 78% | 0.782 | S | S | * | * | trans | -137.5 | 119.4 | 156.7 | -179.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 14 | Y | 28.3 | Very low | 35.1 | Very low | 226 Ų | 226 | 154.6 Ų | 154.6 | 89% | 0.886 | 79% | 0.789 | S | S | * | * | trans | 22.5 | 118.5 | 160.2 | -67.3 | -103.2 | 0 | 0 | 0 | 119.7 | ||||
| 15 | G | 34.9 | Very low | 36.1 | Very low | 78 Ų | 78 | 146.8 Ų | 146.8 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -93 | 160.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 16 | L | 34.3 | Very low | 37.7 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 80% | 0.801 | 75% | 0.746 | S | S | * | * | trans | -156.5 | 121.6 | 164.8 | -103.4 | 169.6 | 0 | 0 | 0 | 108.6 | ||||
| 17 | E | 35.2 | Very low | 39.9 | Very low | 182 Ų | 182 | 136.6 Ų | 136.6 | 85% | 0.85 | 73% | 0.725 | S | S | * | * | trans | 61.3 | 155.6 | 160.9 | -61.9 | 175.5 | 166.9 | 0 | 0 | 116.6 | ||||
| 18 | E | 35.8 | Very low | 42.3 | Very low | 175 Ų | 175 | 138.4 Ų | 138.4 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | cis | -118.1 | 152.5 | 13 | -60.7 | -177 | 118.8 | 0 | 0 | 114.1 | A20 | E18-A20 VanDerWaalsContact C-N 3.25Å; E18-A20 PolarHBondContact O-N 3.01Å | ||
| 19 | N | 36.3 | Very low | 44.8 | Very low | 155 Ų | 155 | 134.4 Ų | 134.4 | 83% | 0.829 | 69% | 0.688 | S | S | * | * | trans | -82.8 | 61.3 | 175 | -124.2 | -43.3 | 0 | 0 | 0 | 112.1 | Q21 | N19-Q21 PolarHBondContact O-N 2.86Š| ||
| 20 | A | 36.7 | Very low | 47.4 | Very low | 84 Ų | 84 | 128.9 Ų | 128.9 | 69% | 0.694 | 66% | 0.659 | S | S | * | * | trans | -81.6 | 47.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | E18 S22 | E18-A20 VanDerWaalsContact C-N 3.25Å; E18-A20 PolarHBondContact O-N 3.01Å; A20-S22 PolarHBondContact O-N 2.87Å | ||
| 21 | Q | 40.5 | Very low | 49.9 | Very low | 162 Ų | 162 | 119.7 Ų | 119.7 | 76% | 0.757 | 62% | 0.616 | S | S | * | * | trans | -64.4 | 98.5 | 166.9 | -80.1 | -169.6 | -9.9 | 0 | 0 | 109.3 | N19 R23 | N19-Q21 PolarHBondContact O-N 2.86Å; Q21-R23 VanDerWaalsContact C-N 3.35Å; Q21-R23 PolarHBondContact O-N 2.67Å | ||
| 22 | S | 38.3 | Very low | 52.3 | Low | 112 Ų | 112 | 112 Ų | 112 | 78% | 0.783 | 58% | 0.58 | S | S | * | * | trans | -62 | 95.4 | 171.8 | 47.7 | 0 | 0 | 0 | 0 | 109.4 | A20 Q24 | A20-S22 PolarHBondContact O-N 2.87Å; S22-Q24 PolarHBondContact O-N 3.13Å | ||
| 23 | R | 44.6 | Very low | 54.3 | Low | 204 Ų | 204 | 105.3 Ų | 105.3 | 77% | 0.77 | 54% | 0.544 | S | S | * | . | trans | -63.7 | 87.8 | 169.1 | -77.1 | -177.2 | 173 | 157.9 | 2.3 | 108.1 | Q21 E25 | Q21-R23 VanDerWaalsContact C-N 3.35Å; Q21-R23 PolarHBondContact O-N 2.67Å; R23-E25 WeakPolarHBondContact O-CG 3.28Å; R23-E25 PolarHBondContact O-N 3.17Å | ||
| 24 | Q | 50.1 | Low | 56.4 | Low | 184 Ų | 184 | 99.1 Ų | 99.1 | 86% | 0.86 | 51% | 0.507 | S | S | * | . | trans | -60.9 | 98.6 | 179 | -169.6 | 173.3 | 12 | 0 | 0 | 108.4 | S22 S26 | S22-Q24 PolarHBondContact O-N 3.13Å; Q24-S26 PolarHBondContact O-N 2.86Å | ||
| 25 | E | 54 | Low | 58.5 | Low | 89 Ų | 89 | 90.3 Ų | 90.3 | 42% | 0.416 | 47% | 0.472 | S | S | . | . | trans | -63.6 | 109.3 | -168.7 | -60.3 | -164.5 | 158.1 | 0 | 0 | 109.5 | R23 T27 R72 | R23-E25 WeakPolarHBondContact O-CG 3.28Å; R23-E25 PolarHBondContact O-N 3.17Å; E25-T27 PolarHBondContact O-N 3.49Å; E25-R72 IonicContact OE1-CZ 3.7Å; E25-R72 IonicContact OE1-NH1 2.88Å; E25-R72 PolarHBondContact OE1-NH1 3.45Å; E25-R72 IonicContact OE1-NH2 2.69Å; E25-R72 PolarHBondContact OE1-NH2 3.26Å; E25-R72 IonicContact OE2-CZ 2.75Å; E25-R72 IonicContact OE2-NH1 3.55Å; E25-R72 PolarHBondContact OE2-NH1 3.27Å; E25-R72 IonicContact OE2-NH2 3.76Å | ||
| 26 | S | 70.2 | Confident | 60.3 | Low | 50 Ų | 50 | 89.4 Ų | 89.4 | 35% | 0.35 | 45% | 0.451 | S | S | . | . | trans | -76.5 | 98.9 | -162.9 | 73.1 | 0 | 0 | 0 | 0 | 110.2 | Q24 R28 C76 | Q24-S26 PolarHBondContact O-N 2.86Å; S26-R28 PolarHBondContact OG-NH1 3.38Å; S26-R28 PolarHBondContact OG-NH2 2.93Å; S26-R28 VanDerWaalsContact OG-NH2 3.12Å; S26-C76 WeakPolarHBondContact O-CB 3.49Å | ||
| 27 | T | 77.1 | Confident | 62 | Low | 49 Ų | 49 | 84 Ų | 84 | 30% | 0.301 | 43% | 0.432 | S | S | . | . | trans | -56.2 | 145.6 | 176.2 | -57.6 | 0 | 0 | 0 | 0 | 111.1 | E25 H77 E79 H113 | E25-T27 PolarHBondContact O-N 3.49Å; T27-H77 CarbonylContact C-O 3.58Å; T27-H77 VanDerWaalsContact CA-O 3.23Å; T27-H77 WeakPolarHBondContact CA-O 3.32Å; T27-E79 VanDerWaalsContact CG2-CD 3.4Å; T27-E79 HydrophobicContact CG2-CG 3.98Å; T27-E79 WeakPolarHBondContact CG2-OE2 3.41Å; T27-H113 PolarHBondContact O-NE2 2.86Å; T27-H113 VanDerWaalsContact O-NE2 3.13Å | ||
| 28 | R | 82 | Confident | 63.7 | Low | 104 Ų | 104 | 75.6 Ų | 75.6 | 39% | 0.392 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 111.3 | 175.7 | -65.5 | -66.2 | 177.1 | -96 | -2.5 | 108.5 | S26 H77 V78 E79 | S26-R28 PolarHBondContact OG-NH1 3.38Å; S26-R28 PolarHBondContact OG-NH2 2.93Å; S26-R28 VanDerWaalsContact OG-NH2 3.12Å; R28-H77 PolarHBondContact N-O 3.37Å; R28-V78 WeakPolarHBondContact O-CA 3.43Å; R28-E79 PolarHBondContact O-N 3.5Å |
| 29 | R | 82 | Confident | 65.6 | Low | 45 Ų | 45 | 68.2 Ų | 68.2 | 17% | 0.17 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 125.4 | 178.8 | -164.7 | 168.7 | -63.8 | 161 | 18.7 | 111.8 | E79 V81 L107 A109 H113 A114 | R29-E79 CarbonylContact C-O 3.5Å; R29-E79 WeakPolarHBondContact CA-O 3.47Å; R29-E79 HydrophobicContact CB-CB 4.36Å; R29-E79 HydrophobicContact CG-CB 4.09Å; R29-E79 IonicContact CZ-OE2 2.76Å; R29-E79 IonicContact NE-OE2 3.78Å; R29-E79 PolarHBondContact NE-OE2 3.46Å; R29-E79 IonicContact NH2-OE2 3.16Å; R29-E79 PolarHBondContact NH2-OE2 3.49Å; R29-V81 HydrophobicContact CG-CG2 4.34Å; R29-L107 PolarHBondContact NH1-O 3.32Å; R29-A109 PolarHBondContact NH1-O 2.85Å; R29-H113 PolarHBondContact N-ND1 3.14Å; R29-H113 WeakPolarHBondContact O-CB 3.31Å; R29-H113 PolarHBondContact O-N 2.93Å; R29-A114 PolarHBondContact O-N 3.38Å |
| 30 | L | 85.2 | Confident | 67.8 | Low | 26 Ų | 26 | 61.3 Ų | 61.3 | 14% | 0.136 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 127.2 | -178.9 | -55.1 | 174.1 | 0 | 0 | 0 | 108.2 | I47 V78 E79 V80 V81 A114 L116 | L30-I47 HydrophobicContact CD1-CG2 4.17Å; L30-V78 HydrophobicContact CD1-CG1 3.73Å; L30-V78 HydrophobicContact CG-CG1 4.39Å; L30-E79 PolarHBondContact N-O 3.48Å; L30-V80 HydrophobicContact CD1-CG2 4.44Å; L30-V80 CarbonylContact O-C 3.47Å; L30-V80 WeakPolarHBondContact O-CA 3.3Å; L30-V81 PolarHBondContact O-N 3.37Å; L30-A114 HydrophobicContact CD2-CB 3.89Å; L30-L116 HydrophobicContact CB-CD1 4.27Å; L30-L116 HydrophobicContact CB-CG 4.49Å; L30-L116 HydrophobicContact CD1-CD1 4.2Å |
| 31 | I | 83.9 | Confident | 70 | Confident | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 129.1 | 171.5 | -53.6 | 171.8 | 0 | 0 | 0 | 108.5 | V33 V81 T83 S108 P112 A114 L115 L116 F140 | I31-V33 HydrophobicContact CB-CG1 4.3Å; I31-V33 HydrophobicContact CG2-CG1 3.73Å; I31-V33 PolarHBondContact O-N 3.43Å; I31-V81 HydrophobicContact CG1-CB 4.28Å; I31-V81 HydrophobicContact CG1-CG2 4.47Å; I31-V81 HydrophobicContact CG2-CB 4.38Å; I31-T83 HydrophobicContact CG2-CG2 3.39Å; I31-S108 WeakPolarHBondContact CD1-OG 3.17Å; I31-P112 HydrophobicContact CD1-CB 3.67Å; I31-P112 HydrophobicContact CD1-CG 3.9Å; I31-P112 HydrophobicContact CG1-CB 3.97Å; I31-A114 PolarHBondContact N-O 3.44Å; I31-L115 HydrophobicContact CB-CD2 3.8Å; I31-L115 HydrophobicContact CD1-CD2 3.75Å; I31-L115 HydrophobicContact CG1-CD2 4.13Å; I31-L116 PolarHBondContact O-N 3.23Å; I31-F140 HydrophobicContact CD1-CE1 4.35Å; I31-F140 HydrophobicContact CD1-CZ 3.84Å |
| 32 | L | 83.9 | Confident | 71.9 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 104.8 | 175.9 | -50.6 | -173 | 0 | 0 | 0 | 109.3 | K40 G44 I47 V80 V81 T83 L116 V118 | L32-K40 HydrophobicContact CB-CB 4.19Å; L32-K40 HydrophobicContact CB-CD 4.42Å; L32-K40 WeakPolarHBondContact CD1-O 3.39Å; L32-K40 WeakPolarHBondContact O-CD 3.19Å; L32-K40 VanDerWaalsContact O-CE 3.3Å; L32-K40 WeakPolarHBondContact O-CE 3.47Å; L32-G44 VanDerWaalsContact CD1-CA 3.46Å; L32-I47 HydrophobicContact CD2-CD1 4.06Å; L32-V80 HydrophobicContact CD1-CG1 3.66Å; L32-V80 HydrophobicContact CD2-CG1 4Å; L32-V80 HydrophobicContact CG-CG1 3.68Å; L32-V81 PolarHBondContact N-O 2.79Å; L32-T83 WeakPolarHBondContact O-CG2 3.37Å; L32-T83 PolarHBondContact O-OG1 3.14Å; L32-T83 VanDerWaalsContact O-OG1 3.14Å; L32-L116 HydrophobicContact CD2-CB 3.83Å; L32-L116 HydrophobicContact CD2-CD1 3.69Å; L32-L116 HydrophobicContact CD2-CG 4.19Å; L32-V118 HydrophobicContact CB-CG2 4.27Å |
| 33 | V | 78.1 | Confident | 73.9 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 148.1 | -176.6 | -53.6 | 0 | 0 | 0 | 0 | 110.3 | I31 F87 L115 L116 L117 V118 L135 | I31-V33 HydrophobicContact CB-CG1 4.3Å; I31-V33 HydrophobicContact CG2-CG1 3.73Å; I31-V33 PolarHBondContact O-N 3.43Å; V33-F87 HydrophobicContact CB-CD2 3.86Å; V33-F87 HydrophobicContact CB-CE2 3.62Å; V33-F87 HydrophobicContact CG1-CD2 4.2Å; V33-F87 HydrophobicContact CG1-CE2 3.44Å; V33-F87 VanDerWaalsContact CG1-CE2 3.44Å; V33-F87 HydrophobicContact CG1-CZ 4.01Å; V33-L115 HydrophobicContact CG1-CD2 4.38Å; V33-L115 HydrophobicContact CG2-CB 4.31Å; V33-L116 PolarHBondContact N-O 2.95Å; V33-L117 HydrophobicContact CG2-CB 4.15Å; V33-L117 HydrophobicContact CG2-CD1 4.04Å; V33-L117 CarbonylContact O-C 3.58Å; V33-L117 WeakPolarHBondContact O-CA 3.49Å; V33-V118 PolarHBondContact O-N 3.03Å; V33-L135 HydrophobicContact CB-CD1 4.34Å; V33-L135 HydrophobicContact CG2-CD1 3.75Å |
| 34 | G | 73.1 | Confident | 75.8 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | 134.9 | 178.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | K40 | G34-K40 WeakPolarHBondContact O-CD 3.3Å; G34-K40 WeakPolarHBondContact O-CE 3.46Å; G34-K40 PolarHBondContact O-NZ 3.48Å | ||
| 35 | R | 72.6 | Confident | 77.3 | Confident | 40 Ų | 40 | 29.2 Ų | 29.2 | 15% | 0.151 | 17% | 0.166 | C | C | . | . | trans | -74.5 | 166.9 | -163 | -75.2 | -170.8 | -85.3 | 165 | -3.1 | 116.1 | G37 A38 D85 T125 D128 | R35-G37 PolarHBondContact O-N 3.09Å; R35-A38 WeakPolarHBondContact O-CB 3.19Å; R35-A38 PolarHBondContact O-N 3.19Å; R35-D85 WeakPolarHBondContact CA-OD1 3.48Å; R35-T125 PolarHBondContact NH1-OG1 2.99Å; R35-T125 PolarHBondContact NH2-OG1 3.11Å; R35-D128 IonicContact CZ-OD1 2.68Å; R35-D128 VanDerWaalsContact CZ-OD1 3.23Å; R35-D128 IonicContact CZ-OD2 2.87Å; R35-D128 IonicContact NE-OD1 3.47Å; R35-D128 PolarHBondContact NE-OD1 3.23Å; R35-D128 IonicContact NH2-OD1 2.86Å; R35-D128 PolarHBondContact NH2-OD1 2.98Å; R35-D128 IonicContact NH2-OD2 3.29Å; R35-D128 PolarHBondContact NH2-OD2 2.79Å | ||
| 36 | T | 72.6 | Confident | 78.6 | Confident | 60 Ų | 60 | 28.2 Ų | 28.2 | 37% | 0.368 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48 | 129.9 | 164.3 | -64.8 | 0 | 0 | 0 | 0 | 110.1 | A38 D85 | T36-A38 PolarHBondContact O-N 3.4Å; T36-A38 VanDerWaalsContact O-N 3.15Å; T36-D85 WeakPolarHBondContact CB-OD2 3.25Å; T36-D85 PolarHBondContact N-OD2 3.46Å; T36-D85 WeakPolarHBondContact OG1-CB 3.42Å; T36-D85 PolarHBondContact OG1-OD2 2.91Å |
| 37 | G | 69.8 | Low | 79.1 | Confident | 40 Ų | 40 | 26.7 Ų | 26.7 | 41% | 0.412 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 11.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R35 G39 R326 | R35-G37 PolarHBondContact O-N 3.09Å; G37-G39 PolarHBondContact O-N 3.01Å; G37-R326 VanDerWaalsContact O-CZ 3.29Å; G37-R326 PolarHBondContact O-NE 3.12Å; G37-R326 PolarHBondContact O-NH2 3.13Å |
| 38 | A | 72 | Confident | 79.4 | Confident | 5 Ų | 5 | 24.4 Ų | 24.4 | 4% | 0.041 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -64 | -17.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | R35 T36 K40 V118 | R35-A38 WeakPolarHBondContact O-CB 3.19Å; R35-A38 PolarHBondContact O-N 3.19Å; T36-A38 PolarHBondContact O-N 3.4Å; T36-A38 VanDerWaalsContact O-N 3.15Å; A38-K40 HydrophobicContact CB-CG 4.14Å; A38-V118 HydrophobicContact CB-CG1 4.44Å; A38-V118 WeakPolarHBondContact CB-O 3.36Å |
| 39 | G | 75.3 | Confident | 79.1 | Confident | 19 Ų | 19 | 21.9 Ų | 21.9 | 20% | 0.196 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 98.8 | 18.1 | -174 | 0 | 0 | 0 | 0 | 0 | 113.7 | G37 A42 T43 | G37-G39 PolarHBondContact O-N 3.01Å; G39-A42 PolarHBondContact O-N 2.97Å; G39-T43 WeakPolarHBondContact O-CB 3.42Å; G39-T43 PolarHBondContact O-N 3.15Å; G39-T43 PolarHBondContact O-OG1 3.25Å |
| 40 | K | 82.5 | Confident | 79 | Confident | 10 Ų | 10 | 23.9 Ų | 23.9 | 4% | 0.043 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.9 | -58.7 | -175.3 | -49.6 | -149.8 | -59 | -80.1 | 0 | 112.6 | L32 G34 A38 A42 T43 G44 D82 T83 P84 V118 | L32-K40 HydrophobicContact CB-CB 4.19Å; L32-K40 HydrophobicContact CB-CD 4.42Å; L32-K40 WeakPolarHBondContact CD1-O 3.39Å; L32-K40 WeakPolarHBondContact O-CD 3.19Å; L32-K40 VanDerWaalsContact O-CE 3.3Å; L32-K40 WeakPolarHBondContact O-CE 3.47Å; G34-K40 WeakPolarHBondContact O-CD 3.3Å; G34-K40 WeakPolarHBondContact O-CE 3.46Å; G34-K40 PolarHBondContact O-NZ 3.48Å; A38-K40 HydrophobicContact CB-CG 4.14Å; K40-A42 VanDerWaalsContact C-N 3.26Å; K40-A42 PolarHBondContact O-N 2.82Å; K40-T43 CarbonylContact O-C 3.52Å; K40-T43 WeakPolarHBondContact O-CA 3.26Å; K40-T43 WeakPolarHBondContact O-CB 3.47Å; K40-T43 PolarHBondContact O-N 3.48Å; K40-G44 PolarHBondContact O-N 3.16Å; K40-D82 VanDerWaalsContact C-OD1 3.28Å; K40-D82 WeakPolarHBondContact CB-OD1 3.39Å; K40-T83 WeakPolarHBondContact CE-O 3.36Å; K40-T83 WeakPolarHBondContact CE-OG1 3.41Å; K40-T83 PolarHBondContact NZ-O 2.86Å; K40-P84 PolarHBondContact NZ-O 3.45Å; K40-P84 VanDerWaalsContact NZ-O 3.13Å; K40-V118 HydrophobicContact CG-CB 4.07Å; K40-V118 HydrophobicContact CG-CG1 4.49Å; K40-V118 HydrophobicContact CG-CG2 4.27Å |
| 41 | S | 82.7 | Confident | 78.7 | Confident | 10 Ų | 10 | 34.3 Ų | 34.3 | 7% | 0.07 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.5 | -36.9 | 178.6 | -37.1 | 0 | 0 | 0 | 0 | 113.1 | N45 T63 D82 | S41-N45 WeakPolarHBondContact O-CB 3.5Å; S41-N45 PolarHBondContact O-N 2.86Å; S41-N45 PolarHBondContact O-ND2 2.79Å; S41-T63 PolarHBondContact OG-OG1 2.94Å; S41-D82 WeakPolarHBondContact CA-OD2 3.44Å; S41-D82 VanDerWaalsContact CB-OD2 3.3Å; S41-D82 WeakPolarHBondContact CB-OD2 3.48Å; S41-D82 PolarHBondContact N-OD1 3.3Å; S41-D82 VanDerWaalsContact N-OD1 3.14Å; S41-D82 PolarHBondContact OG-OD2 2.92Å |
| 42 | A | 79.8 | Confident | 78.7 | Confident | 31 Ų | 31 | 41.5 Ų | 41.5 | 26% | 0.256 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66.2 | -47.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | G39 K40 G44 N45 S46 | G39-A42 PolarHBondContact O-N 2.97Å; K40-A42 VanDerWaalsContact C-N 3.26Å; K40-A42 PolarHBondContact O-N 2.82Å; A42-G44 VanDerWaalsContact C-N 3.3Å; A42-G44 PolarHBondContact O-N 3.08Å; A42-N45 WeakPolarHBondContact O-CB 3.45Å; A42-N45 PolarHBondContact O-N 3.05Å; A42-S46 PolarHBondContact O-N 2.89Å; A42-S46 PolarHBondContact O-OG 2.95Å; A42-S46 VanDerWaalsContact O-OG 3.14Å |
| 43 | T | 81.1 | Confident | 78.8 | Confident | 9 Ų | 9 | 42 Ų | 42 | 6% | 0.055 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.1 | -42.7 | 175.1 | -56 | 0 | 0 | 0 | 0 | 111 | G39 K40 S46 I47 V118 C150 | G39-T43 WeakPolarHBondContact O-CB 3.42Å; G39-T43 PolarHBondContact O-N 3.15Å; G39-T43 PolarHBondContact O-OG1 3.25Å; K40-T43 CarbonylContact O-C 3.52Å; K40-T43 WeakPolarHBondContact O-CA 3.26Å; K40-T43 WeakPolarHBondContact O-CB 3.47Å; K40-T43 PolarHBondContact O-N 3.48Å; T43-S46 PolarHBondContact O-N 3.24Å; T43-I47 HydrophobicContact CG2-CD1 3.97Å; T43-I47 VanDerWaalsContact O-CG1 3.3Å; T43-I47 WeakPolarHBondContact O-CG1 3.38Å; T43-I47 PolarHBondContact O-N 3.46Å; T43-V118 HydrophobicContact CG2-CG2 4.29Å; T43-C150 HydrophobicContact CG2-CB 4.49Å |
| 44 | G | 83.1 | Confident | 78.8 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65 | -41.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L32 K40 A42 S46 I47 L48 | L32-G44 VanDerWaalsContact CD1-CA 3.46Å; K40-G44 PolarHBondContact O-N 3.16Å; A42-G44 VanDerWaalsContact C-N 3.3Å; A42-G44 PolarHBondContact O-N 3.08Å; G44-S46 VanDerWaalsContact C-N 3.28Å; G44-S46 PolarHBondContact O-N 3.11Å; G44-I47 PolarHBondContact O-N 2.85Å; G44-L48 WeakPolarHBondContact O-CB 3.47Å; G44-L48 VanDerWaalsContact O-CG 3.31Å; G44-L48 WeakPolarHBondContact O-CG 3.38Å; G44-L48 PolarHBondContact O-N 3.11Å |
| 45 | N | 82.4 | Confident | 78.9 | Confident | 22 Ų | 22 | 52.3 Ų | 52.3 | 12% | 0.118 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.9 | -35.5 | 173.1 | -75.3 | -27 | 0 | 0 | 0 | 112.1 | S41 A42 L48 G49 Q50 R52 F53 | S41-N45 WeakPolarHBondContact O-CB 3.5Å; S41-N45 PolarHBondContact O-N 2.86Å; S41-N45 PolarHBondContact O-ND2 2.79Å; A42-N45 WeakPolarHBondContact O-CB 3.45Å; A42-N45 PolarHBondContact O-N 3.05Å; N45-L48 CarbonylContact O-C 3.58Å; N45-G49 CarbonylContact O-C 3.58Å; N45-G49 VanDerWaalsContact O-CA 3.32Å; N45-G49 WeakPolarHBondContact O-CA 3.27Å; N45-G49 PolarHBondContact O-N 2.88Å; N45-Q50 WeakPolarHBondContact CA-O 3.38Å; N45-Q50 WeakPolarHBondContact CB-O 3.37Å; N45-Q50 PolarHBondContact O-N 2.79Å; N45-Q50 PolarHBondContact OD1-O 3.27Å; N45-Q50 VanDerWaalsContact OD1-O 3.13Å; N45-R52 PolarHBondContact OD1-N 3.46Å; N45-F53 PolarHBondContact ND2-O 3.4Å; N45-F53 PolarHBondContact OD1-N 2.93Å; N45-F53 PolarHBondContact OD1-O 2.85Å |
| 46 | S | 81.1 | Confident | 79 | Confident | 68 Ų | 68 | 56.6 Ų | 56.6 | 48% | 0.476 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -71.1 | -43.7 | 175.8 | -60.4 | 0 | 0 | 0 | 0 | 112.3 | A42 T43 G44 G49 | A42-S46 PolarHBondContact O-N 2.89Å; A42-S46 PolarHBondContact O-OG 2.95Å; A42-S46 VanDerWaalsContact O-OG 3.14Å; T43-S46 PolarHBondContact O-N 3.24Å; G44-S46 VanDerWaalsContact C-N 3.28Å; G44-S46 PolarHBondContact O-N 3.11Å; S46-G49 PolarHBondContact O-N 3.44Å |
| 47 | I | 80.9 | Confident | 78.7 | Confident | 19 Ų | 19 | 55.5 Ų | 55.5 | 10% | 0.097 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.8 | -46.2 | 173.5 | -67.6 | 162.9 | 0 | 0 | 0 | 110.5 | L30 L32 T43 G44 G49 W73 V78 V80 L116 | L30-I47 HydrophobicContact CD1-CG2 4.17Å; L32-I47 HydrophobicContact CD2-CD1 4.06Å; T43-I47 HydrophobicContact CG2-CD1 3.97Å; T43-I47 VanDerWaalsContact O-CG1 3.3Å; T43-I47 WeakPolarHBondContact O-CG1 3.38Å; T43-I47 PolarHBondContact O-N 3.46Å; G44-I47 PolarHBondContact O-N 2.85Å; I47-G49 PolarHBondContact O-N 2.87Å; I47-W73 HydrophobicContact CG2-CH2 4.04Å; I47-W73 HydrophobicContact CG2-CZ2 3.72Å; I47-W73 VanDerWaalsContact O-CZ2 3.24Å; I47-W73 WeakPolarHBondContact O-CZ2 3.29Å; I47-W73 PolarHBondContact O-NE1 3.26Å; I47-V78 HydrophobicContact CG2-CG1 4.21Å; I47-V80 HydrophobicContact CB-CG2 4.24Å; I47-V80 HydrophobicContact CG2-CG2 3.58Å; I47-L116 HydrophobicContact CD1-CD1 3.57Å |
| 48 | L | 82.8 | Confident | 78.5 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -4.4 | 175.6 | -61.6 | -179.9 | 0 | 0 | 0 | 113 | G44 N45 Q50 R52 F53 R71 V80 | G44-L48 WeakPolarHBondContact O-CB 3.47Å; G44-L48 VanDerWaalsContact O-CG 3.31Å; G44-L48 WeakPolarHBondContact O-CG 3.38Å; G44-L48 PolarHBondContact O-N 3.11Å; N45-L48 CarbonylContact O-C 3.58Å; L48-Q50 HydrophobicContact CB-CG 3.97Å; L48-Q50 WeakPolarHBondContact O-CG 3.5Å; L48-Q50 PolarHBondContact O-N 2.94Å; L48-R52 HydrophobicContact CD1-CB 3.94Å; L48-R52 HydrophobicContact CD1-CG 4Å; L48-F53 HydrophobicContact CD1-CD2 4.42Å; L48-F53 HydrophobicContact CD1-CE2 3.48Å; L48-F53 VanDerWaalsContact CD1-CE2 3.48Å; L48-F53 HydrophobicContact CD1-CZ 3.7Å; L48-F53 HydrophobicContact CG-CE2 4.33Å; L48-R71 HydrophobicContact CD2-CB 3.98Å; L48-R71 WeakPolarHBondContact O-CD 3.44Å; L48-R71 PolarHBondContact O-NH1 3.44Å; L48-V80 HydrophobicContact CD1-CB 4.3Å; L48-V80 HydrophobicContact CD2-CB 4.25Å; L48-V80 HydrophobicContact CD2-CG2 3.74Å; L48-V80 HydrophobicContact CG-CB 4.22Å; L48-V80 HydrophobicContact CG-CG2 3.95Å |
| 49 | G | 77.1 | Confident | 78 | Confident | 51 Ų | 51 | 53.9 Ų | 53.9 | 53% | 0.526 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 29.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | N45 S46 I47 R71 | N45-G49 CarbonylContact O-C 3.58Å; N45-G49 VanDerWaalsContact O-CA 3.32Å; N45-G49 WeakPolarHBondContact O-CA 3.27Å; N45-G49 PolarHBondContact O-N 2.88Å; S46-G49 PolarHBondContact O-N 3.44Å; I47-G49 PolarHBondContact O-N 2.87Å; G49-R71 PolarHBondContact O-NH1 3.11Å |
| 50 | Q | 78.2 | Confident | 77.5 | Confident | 87 Ų | 87 | 54.8 Ų | 54.8 | 41% | 0.407 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -159.1 | 151.3 | -174.3 | 72.1 | -169.6 | -13.9 | 0 | 0 | 110.4 | N45 L48 R52 S70 | N45-Q50 WeakPolarHBondContact CA-O 3.38Å; N45-Q50 WeakPolarHBondContact CB-O 3.37Å; N45-Q50 PolarHBondContact O-N 2.79Å; N45-Q50 PolarHBondContact OD1-O 3.27Å; N45-Q50 VanDerWaalsContact OD1-O 3.13Å; L48-Q50 HydrophobicContact CB-CG 3.97Å; L48-Q50 WeakPolarHBondContact O-CG 3.5Å; L48-Q50 PolarHBondContact O-N 2.94Å; Q50-R52 HydrophobicContact CG-CB 4.22Å; Q50-R52 PolarHBondContact O-N 2.94Å; Q50-S70 PolarHBondContact NE2-O 3.36Å |
| 51 | R | 79.8 | Confident | 76.8 | Confident | 246 Ų | 246 | 55.9 Ų | 55.9 | 93% | 0.928 | 28% | 0.282 | S | S | * | . | trans | -80.3 | 77.8 | 179.6 | -67.1 | -176.7 | 175.6 | -170 | -2.1 | 111.4 | ||||
| 52 | R | 84.9 | Confident | 76.1 | Confident | 155 Ų | 155 | 57.6 Ų | 57.6 | 59% | 0.585 | 29% | 0.292 | S | S | * | . | trans | -95.2 | -34.3 | 179.7 | 176.1 | 55.8 | 179.8 | -162.2 | -0.4 | 113.2 | N45 L48 Q50 T68 | N45-R52 PolarHBondContact OD1-N 3.46Å; L48-R52 HydrophobicContact CD1-CB 3.94Å; L48-R52 HydrophobicContact CD1-CG 4Å; Q50-R52 HydrophobicContact CG-CB 4.22Å; Q50-R52 PolarHBondContact O-N 2.94Å; R52-T68 PolarHBondContact NE-O 2.96Å; R52-T68 PolarHBondContact NH2-O 2.81Å | ||
| 53 | F | 84.6 | Confident | 75.6 | Confident | 10 Ų | 10 | 57 Ų | 57 | 4% | 0.044 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -99.4 | 138.3 | 176.4 | -50.3 | -65.7 | 0 | 0 | 0 | 110 | N45 L48 S55 T67 V80 D82 | N45-F53 PolarHBondContact ND2-O 3.4Å; N45-F53 PolarHBondContact OD1-N 2.93Å; N45-F53 PolarHBondContact OD1-O 2.85Å; L48-F53 HydrophobicContact CD1-CD2 4.42Å; L48-F53 HydrophobicContact CD1-CE2 3.48Å; L48-F53 VanDerWaalsContact CD1-CE2 3.48Å; L48-F53 HydrophobicContact CD1-CZ 3.7Å; L48-F53 HydrophobicContact CG-CE2 4.33Å; F53-S55 PolarHBondContact O-N 3.37Å; F53-T67 WeakPolarHBondContact CD1-OG1 3.39Å; F53-T67 WeakPolarHBondContact CE1-O 3.49Å; F53-V80 HydrophobicContact CE2-CB 4.18Å; F53-V80 HydrophobicContact CE2-CG1 3.85Å; F53-V80 HydrophobicContact CZ-CB 3.99Å; F53-V80 HydrophobicContact CZ-CG1 3.89Å; F53-V80 WeakPolarHBondContact CZ-O 3.48Å; F53-D82 HydrophobicContact CD1-CB 3.67Å; F53-D82 HydrophobicContact CD2-CB 4.32Å; F53-D82 HydrophobicContact CE1-CB 3.82Å; F53-D82 HydrophobicContact CE2-CB 4.45Å; F53-D82 HydrophobicContact CG-CB 3.93Å; F53-D82 HydrophobicContact CZ-CB 4.21Å |
| 54 | F | 79.1 | Confident | 75.1 | Confident | 154 Ų | 154 | 65.3 Ų | 65.3 | 68% | 0.675 | 32% | 0.316 | S | S | * | . | trans | -72.7 | 113.9 | 177.4 | -175.9 | -118 | 0 | 0 | 0 | 110.2 | R56 V62 | F54-R56 HydrophobicContact CE1-CB 4.37Å; F54-R56 HydrophobicContact CZ-CB 4.14Å; F54-V62 HydrophobicContact CD1-CG1 3.3Å; F54-V62 HydrophobicContact CE1-CG1 3.63Å; F54-V62 HydrophobicContact CG-CG1 4.29Å; F54-V62 WeakPolarHBondContact O-CG1 3.18Å | ||
| 55 | S | 75.5 | Confident | 74.5 | Confident | 62 Ų | 62 | 67.1 Ų | 67.1 | 43% | 0.434 | 33% | 0.331 | S | S | . | . | trans | -127.7 | 115.7 | -177 | -174.1 | 0 | 0 | 0 | 0 | 109 | F53 | F53-S55 PolarHBondContact O-N 3.37Š| ||
| 56 | R | 73.7 | Confident | 74.2 | Confident | 130 Ų | 130 | 66.3 Ų | 66.3 | 49% | 0.491 | 33% | 0.327 | S | S | . | . | trans | -133.9 | 150 | 178.7 | -156 | -167.7 | 92.1 | 170.6 | 5.8 | 109.7 | F54 V62 N371 | F54-R56 HydrophobicContact CE1-CB 4.37Å; F54-R56 HydrophobicContact CZ-CB 4.14Å; R56-V62 HydrophobicContact CB-CG2 4.47Å; R56-N371 PolarHBondContact NH2-O 3.04Å | ||
| 57 | L | 67.6 | Low | 74.2 | Confident | 37 Ų | 37 | 65.9 Ų | 65.9 | 19% | 0.194 | 32% | 0.322 | C | S | . | . | trans | -66.6 | 133.9 | 160.8 | -169.4 | 75.4 | 0 | 0 | 0 | 109.5 | L324 D359 L360 Y368 | L57-L324 HydrophobicContact CD1-CD2 4.48Å; L57-L324 HydrophobicContact CD1-CG 4.43Å; L57-L324 HydrophobicContact CD2-CD2 3.73Å; L57-L324 HydrophobicContact CD2-CG 4.01Å; L57-D359 HydrophobicContact CD1-CB 4.14Å; L57-L360 HydrophobicContact CD2-CD2 4.06Å; L57-Y368 HydrophobicContact CD2-CD2 3.68Å; L57-Y368 HydrophobicContact CD2-CE2 4.1Å; L57-Y368 HydrophobicContact CD2-CG 4.44Å; L57-Y368 HydrophobicContact CG-CD2 3.99Å; L57-Y368 HydrophobicContact CG-CE2 4.01Å | ||
| 58 | G | 63.6 | Low | 74.5 | Confident | 7 Ų | 7 | 67 Ų | 67 | 7% | 0.072 | 33% | 0.33 | C | S | . | . | trans | 179.8 | 152.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | T60 G325 | G58-T60 PolarHBondContact O-N 2.73Å; G58-G325 CarbonylContact O-C 3.56Å | ||
| 59 | A | 62.2 | Low | 74.6 | Confident | 4 Ų | 4 | 67.1 Ų | 67.1 | 3% | 0.033 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -82.9 | 17.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | F327 T372 N374 L377 | A59-F327 HydrophobicContact CB-CB 4.08Å; A59-T372 WeakPolarHBondContact CB-OG1 3.24Å; A59-N374 HydrophobicContact CB-CB 3.71Å; A59-N374 PolarHBondContact O-ND2 2.86Å; A59-L377 HydrophobicContact CB-CD2 3.66Å |
| 60 | T | 65.1 | Low | 75 | Confident | 39 Ų | 39 | 67 Ų | 67 | 24% | 0.239 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -140.8 | 173.3 | -174.2 | 56.5 | 0 | 0 | 0 | 0 | 110.7 | G58 V62 D373 N374 | G58-T60 PolarHBondContact O-N 2.73Å; T60-V62 PolarHBondContact O-N 3.29Å; T60-D373 WeakPolarHBondContact CB-OD1 3.31Å; T60-D373 WeakPolarHBondContact CG2-OD1 3.36Å; T60-D373 VanDerWaalsContact OG1-CG 3.26Å; T60-D373 PolarHBondContact OG1-OD1 3.46Å; T60-D373 PolarHBondContact OG1-OD2 3.11Å; T60-D373 VanDerWaalsContact OG1-OD2 3.08Å; T60-N374 HydrophobicContact CG2-CB 3.79Å |
| 61 | S | 67.3 | Low | 75.3 | Confident | 33 Ų | 33 | 67.9 Ų | 67.9 | 23% | 0.231 | 32% | 0.321 | C | S | . | . | trans | -74.5 | 118.9 | 171.9 | -162.7 | 0 | 0 | 0 | 0 | 111.1 | T63 | S61-T63 PolarHBondContact OG-O 2.96Š| ||
| 62 | V | 68.4 | Low | 75.4 | Confident | 46 Ų | 46 | 62.4 Ų | 62.4 | 28% | 0.279 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -75.8 | -46 | 173.2 | 179.9 | 0 | 0 | 0 | 0 | 110.5 | F54 R56 T60 R64 | F54-V62 HydrophobicContact CD1-CG1 3.3Å; F54-V62 HydrophobicContact CE1-CG1 3.63Å; F54-V62 HydrophobicContact CG-CG1 4.29Å; F54-V62 WeakPolarHBondContact O-CG1 3.18Å; R56-V62 HydrophobicContact CB-CG2 4.47Å; T60-V62 PolarHBondContact O-N 3.29Å; V62-R64 PolarHBondContact O-N 3.12Å |
| 63 | T | 70.1 | Confident | 75 | Confident | 19 Ų | 19 | 59.1 Ų | 59.1 | 12% | 0.117 | 29% | 0.288 | C | S | . | . | trans | -72.1 | 118 | 171.6 | -39.1 | 0 | 0 | 0 | 0 | 109.7 | S41 S61 A65 D82 | S41-T63 PolarHBondContact OG-OG1 2.94Å; S61-T63 PolarHBondContact OG-O 2.96Å; T63-A65 WeakPolarHBondContact CG2-O 3.5Å; T63-D82 WeakPolarHBondContact CG2-OD2 3.22Å; T63-D82 PolarHBondContact OG1-OD2 3.08Å | ||
| 64 | R | 69.5 | Low | 74.5 | Confident | 182 Ų | 182 | 63 Ų | 63 | 69% | 0.687 | 31% | 0.31 | S | S | * | . | trans | -115 | -24.5 | 177.5 | -63 | -173.8 | -177.8 | -170.4 | 1.2 | 113.7 | V62 D373 | V62-R64 PolarHBondContact O-N 3.12Å; R64-D373 IonicContact NH2-OD2 2.76Å | ||
| 65 | A | 71.5 | Confident | 74.2 | Confident | 39 Ų | 39 | 63.4 Ų | 63.4 | 32% | 0.322 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -128.4 | 156.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | T63 E100 | T63-A65 WeakPolarHBondContact CG2-O 3.5Å; A65-E100 WeakPolarHBondContact CA-OE2 3.36Å; A65-E100 WeakPolarHBondContact CB-OE1 3.35Å |
| 66 | C | 75.5 | Confident | 74.2 | Confident | 5 Ų | 5 | 61.9 Ų | 61.9 | 3% | 0.034 | 30% | 0.3 | C | S | . | . | trans | -67.3 | 129.4 | 174.5 | -61.6 | 0 | 0 | 0 | 0 | 110.9 | P84 E100 C104 L107 | C66-P84 WeakPolarHBondContact SG-CD 3.2Å; C66-E100 PolarHBondContact N-OE2 3.28Å; C66-E100 PolarHBondContact SG-O 2.95Å; C66-E100 PolarHBondContact SG-OE2 3.2Å; C66-E100 VanDerWaalsContact SG-OE2 3.41Å; C66-C104 HydrophobicContact CB-CB 4.09Å; C66-C104 WeakPolarHBondContact CB-SG 3.29Å; C66-C104 VanDerWaalsContact SG-CA 3.58Å; C66-C104 WeakPolarHBondContact SG-CB 3.5Å; C66-C104 CovalentContact SG-SG 2.03Å; C66-C104 PolarHBondContact SG-SG 2.66Å; C66-L107 HydrophobicContact CB-CD1 3.76Å | ||
| 67 | T | 81.1 | Confident | 74.7 | Confident | 59 Ų | 59 | 58.1 Ų | 58.1 | 36% | 0.362 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 141.5 | -178.3 | 57.6 | 0 | 0 | 0 | 0 | 112.2 | F53 V81 D82 | F53-T67 WeakPolarHBondContact CD1-OG1 3.39Å; F53-T67 WeakPolarHBondContact CE1-O 3.49Å; T67-V81 CarbonylContact O-C 3.59Å; T67-V81 WeakPolarHBondContact O-CA 3.27Å; T67-D82 PolarHBondContact N-O 3.28Å; T67-D82 PolarHBondContact O-N 3.12Å |
| 68 | T | 86.3 | Confident | 75.6 | Confident | 43 Ų | 43 | 56.5 Ų | 56.5 | 26% | 0.264 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 137 | -178.4 | -52.1 | 0 | 0 | 0 | 0 | 111.8 | R52 V80 V81 | R52-T68 PolarHBondContact NE-O 2.96Å; R52-T68 PolarHBondContact NH2-O 2.81Å; T68-V80 WeakPolarHBondContact CA-O 3.4Å; T68-V81 HydrophobicContact CG2-CG2 4.37Å |
| 69 | G | 85.2 | Confident | 76.7 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 148.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | V80 | G69-V80 PolarHBondContact N-O 3.44Å; G69-V80 PolarHBondContact O-N 3.14Å |
| 70 | S | 86.9 | Confident | 78 | Confident | 49 Ų | 49 | 57.4 Ų | 57.4 | 34% | 0.343 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 160.9 | 177.6 | 75.3 | 0 | 0 | 0 | 0 | 112.9 | Q50 H77 V78 | Q50-S70 PolarHBondContact NE2-O 3.36Å; S70-H77 WeakPolarHBondContact CB-CE1 3.07Å; S70-H77 VanDerWaalsContact CB-NE2 3.27Å; S70-H77 WeakPolarHBondContact CB-NE2 3.2Å; S70-H77 PolarHBondContact OG-CE1 3.15Å; S70-H77 PolarHBondContact OG-NE2 2.77Å; S70-V78 CarbonylContact C-O 3.58Å; S70-V78 WeakPolarHBondContact CA-O 3.32Å; S70-V78 WeakPolarHBondContact CB-O 3.46Å |
| 71 | R | 84.4 | Confident | 79 | Confident | 104 Ų | 104 | 55.6 Ų | 55.6 | 39% | 0.392 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 144.9 | 172.5 | -177.9 | 164 | -178.7 | 162.2 | 1.9 | 110.5 | L48 G49 V78 | L48-R71 HydrophobicContact CD2-CB 3.98Å; L48-R71 WeakPolarHBondContact O-CD 3.44Å; L48-R71 PolarHBondContact O-NH1 3.44Å; G49-R71 PolarHBondContact O-NH1 3.11Å; R71-V78 PolarHBondContact N-O 3.1Å; R71-V78 PolarHBondContact O-N 2.84Å |
| 72 | R | 81.6 | Confident | 79.8 | Confident | 132 Ų | 132 | 54.1 Ų | 54.1 | 50% | 0.498 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 127.2 | 168.1 | -169.8 | -174.2 | -177.7 | 103 | 8.6 | 110.8 | E25 D74 C76 | E25-R72 IonicContact OE1-CZ 3.7Å; E25-R72 IonicContact OE1-NH1 2.88Å; E25-R72 PolarHBondContact OE1-NH1 3.45Å; E25-R72 IonicContact OE1-NH2 2.69Å; E25-R72 PolarHBondContact OE1-NH2 3.26Å; E25-R72 IonicContact OE2-CZ 2.75Å; E25-R72 IonicContact OE2-NH1 3.55Å; E25-R72 PolarHBondContact OE2-NH1 3.27Å; E25-R72 IonicContact OE2-NH2 3.76Å; R72-D74 PolarHBondContact NE-O 2.91Å; R72-D74 PolarHBondContact NH2-O 3.27Å; R72-C76 WeakPolarHBondContact CA-O 3.37Å |
| 73 | W | 75.4 | Confident | 80.4 | Confident | 85 Ų | 85 | 51.9 Ų | 51.9 | 32% | 0.322 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 98.2 | 167.8 | -76.8 | 4.5 | 0 | 0 | 0 | 107.9 | I47 K75 C76 V78 V189 | I47-W73 HydrophobicContact CG2-CH2 4.04Å; I47-W73 HydrophobicContact CG2-CZ2 3.72Å; I47-W73 VanDerWaalsContact O-CZ2 3.24Å; I47-W73 WeakPolarHBondContact O-CZ2 3.29Å; I47-W73 PolarHBondContact O-NE1 3.26Å; W73-K75 PolarHBondContact O-N 3.44Å; W73-C76 PolarHBondContact N-O 3.34Å; W73-C76 PolarHBondContact O-N 3.35Å; W73-C76 PolarHBondContact O-SG 2.93Å; W73-C76 VanDerWaalsContact O-SG 3.34Å; W73-V78 HydrophobicContact CB-CG2 4.2Å; W73-V78 HydrophobicContact CD2-CB 4.38Å; W73-V78 HydrophobicContact CD2-CG2 3.6Å; W73-V78 HydrophobicContact CE3-CG2 3.56Å; W73-V78 HydrophobicContact CG-CG2 3.89Å; W73-V78 HydrophobicContact CZ3-CG2 4.14Å; W73-V189 HydrophobicContact CE3-CG1 4.22Å; W73-V189 HydrophobicContact CH2-CG1 3.85Å; W73-V189 HydrophobicContact CZ3-CG1 3.49Å; W73-V189 VanDerWaalsContact CZ3-CG1 3.49Å |
| 74 | D | 74.4 | Confident | 80.7 | Confident | 92 Ų | 92 | 51.6 Ų | 51.6 | 49% | 0.492 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | -89.8 | -178.9 | -60.3 | -36.3 | 0 | 0 | 0 | 114.8 | R72 R186 | R72-D74 PolarHBondContact NE-O 2.91Å; R72-D74 PolarHBondContact NH2-O 3.27Å; D74-R186 IonicContact OD1-CZ 3.65Å; D74-R186 IonicContact OD1-NE 3.7Å; D74-R186 IonicContact OD1-NH2 2.8Å; D74-R186 PolarHBondContact OD1-NH2 3.36Å; D74-R186 IonicContact OD2-NE 3.41Å; D74-R186 IonicContact OD2-NH2 3.52Å |
| 75 | K | 73.4 | Confident | 80.8 | Confident | 163 Ų | 163 | 43.9 Ų | 43.9 | 71% | 0.709 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | -2.1 | -178.6 | -66.5 | -179.5 | -178.1 | 171.6 | 0 | 114.9 | W73 | W73-K75 PolarHBondContact O-N 3.44Š|
| 76 | C | 76.1 | Confident | 80.5 | Confident | 30 Ų | 30 | 42.5 Ų | 42.5 | 20% | 0.203 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 158.3 | 179.9 | 65 | 0 | 0 | 0 | 0 | 112.9 | S26 R72 W73 | S26-C76 WeakPolarHBondContact O-CB 3.49Å; R72-C76 WeakPolarHBondContact CA-O 3.37Å; W73-C76 PolarHBondContact N-O 3.34Å; W73-C76 PolarHBondContact O-N 3.35Å; W73-C76 PolarHBondContact O-SG 2.93Å; W73-C76 VanDerWaalsContact O-SG 3.34Å |
| 77 | H | 83.3 | Confident | 79.7 | Confident | 50 Ų | 50 | 42.9 Ų | 42.9 | 23% | 0.231 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 119.1 | 172.3 | -173.1 | -119.2 | 0 | 0 | 0 | 108.8 | T27 R28 S70 E79 | T27-H77 CarbonylContact C-O 3.58Å; T27-H77 VanDerWaalsContact CA-O 3.23Å; T27-H77 WeakPolarHBondContact CA-O 3.32Å; R28-H77 PolarHBondContact N-O 3.37Å; S70-H77 WeakPolarHBondContact CB-CE1 3.07Å; S70-H77 VanDerWaalsContact CB-NE2 3.27Å; S70-H77 WeakPolarHBondContact CB-NE2 3.2Å; S70-H77 PolarHBondContact OG-CE1 3.15Å; S70-H77 PolarHBondContact OG-NE2 2.77Å; H77-E79 IonicContact CE1-OE1 3.13Å; H77-E79 PolarHBondContact CE1-OE1 3.4Å; H77-E79 IonicContact ND1-OE1 2.71Å; H77-E79 PolarHBondContact ND1-OE1 2.94Å |
| 78 | V | 86.4 | Confident | 78.6 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.018 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 126.4 | 177.2 | 179.3 | 0 | 0 | 0 | 0 | 109.2 | R28 L30 I47 S70 R71 W73 V80 | R28-V78 WeakPolarHBondContact O-CA 3.43Å; L30-V78 HydrophobicContact CD1-CG1 3.73Å; L30-V78 HydrophobicContact CG-CG1 4.39Å; I47-V78 HydrophobicContact CG2-CG1 4.21Å; S70-V78 CarbonylContact C-O 3.58Å; S70-V78 WeakPolarHBondContact CA-O 3.32Å; S70-V78 WeakPolarHBondContact CB-O 3.46Å; R71-V78 PolarHBondContact N-O 3.1Å; R71-V78 PolarHBondContact O-N 2.84Å; W73-V78 HydrophobicContact CB-CG2 4.2Å; W73-V78 HydrophobicContact CD2-CB 4.38Å; W73-V78 HydrophobicContact CD2-CG2 3.6Å; W73-V78 HydrophobicContact CE3-CG2 3.56Å; W73-V78 HydrophobicContact CG-CG2 3.89Å; W73-V78 HydrophobicContact CZ3-CG2 4.14Å; V78-V80 HydrophobicContact CG1-CG2 4.2Å |
| 79 | E | 87.8 | Confident | 76.9 | Confident | 31 Ų | 31 | 41.1 Ų | 41.1 | 15% | 0.145 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 128.6 | 175.8 | -70 | 171.3 | 175.9 | 0 | 0 | 108.7 | T27 R28 R29 L30 H77 | T27-E79 VanDerWaalsContact CG2-CD 3.4Å; T27-E79 HydrophobicContact CG2-CG 3.98Å; T27-E79 WeakPolarHBondContact CG2-OE2 3.41Å; R28-E79 PolarHBondContact O-N 3.5Å; R29-E79 CarbonylContact C-O 3.5Å; R29-E79 WeakPolarHBondContact CA-O 3.47Å; R29-E79 HydrophobicContact CB-CB 4.36Å; R29-E79 HydrophobicContact CG-CB 4.09Å; R29-E79 IonicContact CZ-OE2 2.76Å; R29-E79 IonicContact NE-OE2 3.78Å; R29-E79 PolarHBondContact NE-OE2 3.46Å; R29-E79 IonicContact NH2-OE2 3.16Å; R29-E79 PolarHBondContact NH2-OE2 3.49Å; L30-E79 PolarHBondContact N-O 3.48Å; H77-E79 IonicContact CE1-OE1 3.13Å; H77-E79 PolarHBondContact CE1-OE1 3.4Å; H77-E79 IonicContact ND1-OE1 2.71Å; H77-E79 PolarHBondContact ND1-OE1 2.94Å |
| 80 | V | 87.6 | Confident | 75.3 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 127.1 | 179.1 | -178.9 | 0 | 0 | 0 | 0 | 108.4 | L30 L32 I47 L48 F53 T68 G69 V78 | L30-V80 HydrophobicContact CD1-CG2 4.44Å; L30-V80 CarbonylContact O-C 3.47Å; L30-V80 WeakPolarHBondContact O-CA 3.3Å; L32-V80 HydrophobicContact CD1-CG1 3.66Å; L32-V80 HydrophobicContact CD2-CG1 4Å; L32-V80 HydrophobicContact CG-CG1 3.68Å; I47-V80 HydrophobicContact CB-CG2 4.24Å; I47-V80 HydrophobicContact CG2-CG2 3.58Å; L48-V80 HydrophobicContact CD1-CB 4.3Å; L48-V80 HydrophobicContact CD2-CB 4.25Å; L48-V80 HydrophobicContact CD2-CG2 3.74Å; L48-V80 HydrophobicContact CG-CB 4.22Å; L48-V80 HydrophobicContact CG-CG2 3.95Å; F53-V80 HydrophobicContact CE2-CB 4.18Å; F53-V80 HydrophobicContact CE2-CG1 3.85Å; F53-V80 HydrophobicContact CZ-CB 3.99Å; F53-V80 HydrophobicContact CZ-CG1 3.89Å; F53-V80 WeakPolarHBondContact CZ-O 3.48Å; T68-V80 WeakPolarHBondContact CA-O 3.4Å; G69-V80 PolarHBondContact N-O 3.44Å; G69-V80 PolarHBondContact O-N 3.14Å; V78-V80 HydrophobicContact CG1-CG2 4.2Å |
| 81 | V | 86.5 | Confident | 73.7 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 111.5 | 171 | -173.6 | 0 | 0 | 0 | 0 | 108.1 | R29 L30 I31 L32 T67 T68 T83 | R29-V81 HydrophobicContact CG-CG2 4.34Å; L30-V81 PolarHBondContact O-N 3.37Å; I31-V81 HydrophobicContact CG1-CB 4.28Å; I31-V81 HydrophobicContact CG1-CG2 4.47Å; I31-V81 HydrophobicContact CG2-CB 4.38Å; L32-V81 PolarHBondContact N-O 2.79Å; T67-V81 CarbonylContact O-C 3.59Å; T67-V81 WeakPolarHBondContact O-CA 3.27Å; T68-V81 HydrophobicContact CG2-CG2 4.37Å; V81-T83 HydrophobicContact CG1-CG2 4.47Å |
| 82 | D | 85 | Confident | 71.9 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.011 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 118.2 | 170.2 | -173.4 | 46.4 | 0 | 0 | 0 | 109.1 | K40 S41 F53 T63 T67 | K40-D82 VanDerWaalsContact C-OD1 3.28Å; K40-D82 WeakPolarHBondContact CB-OD1 3.39Å; S41-D82 WeakPolarHBondContact CA-OD2 3.44Å; S41-D82 VanDerWaalsContact CB-OD2 3.3Å; S41-D82 WeakPolarHBondContact CB-OD2 3.48Å; S41-D82 PolarHBondContact N-OD1 3.3Å; S41-D82 VanDerWaalsContact N-OD1 3.14Å; S41-D82 PolarHBondContact OG-OD2 2.92Å; F53-D82 HydrophobicContact CD1-CB 3.67Å; F53-D82 HydrophobicContact CD2-CB 4.32Å; F53-D82 HydrophobicContact CE1-CB 3.82Å; F53-D82 HydrophobicContact CE2-CB 4.45Å; F53-D82 HydrophobicContact CG-CB 3.93Å; F53-D82 HydrophobicContact CZ-CB 4.21Å; T63-D82 WeakPolarHBondContact CG2-OD2 3.22Å; T63-D82 PolarHBondContact OG1-OD2 3.08Å; T67-D82 PolarHBondContact N-O 3.28Å; T67-D82 PolarHBondContact O-N 3.12Å |
| 83 | T | 81 | Confident | 70.4 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -95.6 | 156.6 | -176.3 | 80.7 | 0 | 0 | 0 | 0 | 112.1 | I31 L32 K40 V81 I86 C104 | I31-T83 HydrophobicContact CG2-CG2 3.39Å; L32-T83 WeakPolarHBondContact O-CG2 3.37Å; L32-T83 PolarHBondContact O-OG1 3.14Å; L32-T83 VanDerWaalsContact O-OG1 3.14Å; K40-T83 WeakPolarHBondContact CE-O 3.36Å; K40-T83 WeakPolarHBondContact CE-OG1 3.41Å; K40-T83 PolarHBondContact NZ-O 2.86Å; V81-T83 HydrophobicContact CG1-CG2 4.47Å; T83-I86 HydrophobicContact CG2-CD1 4.12Å; T83-C104 VanDerWaalsContact CG2-SG 3.51Å | ||
| 84 | P | 75.8 | Confident | 69.2 | Low | 12 Ų | 12 | 46.2 Ų | 46.2 | 8% | 0.078 | 24% | 0.244 | C | C | . | . | trans | -62.3 | -173.9 | 157.2 | -6.4 | 19.4 | 0 | 0 | 0 | 111 | K40 C66 I86 E100 | K40-P84 PolarHBondContact NZ-O 3.45Å; K40-P84 VanDerWaalsContact NZ-O 3.13Å; C66-P84 WeakPolarHBondContact SG-CD 3.2Å; P84-I86 HydrophobicContact CB-CG2 3.82Å; P84-I86 HydrophobicContact CG-CG2 3.81Å; P84-I86 PolarHBondContact O-N 3.13Å; P84-E100 HydrophobicContact CG-CB 4.46Å | ||
| 85 | D | 72.1 | Confident | 68.4 | Low | 21 Ų | 21 | 42.5 Ų | 42.5 | 11% | 0.112 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -78.9 | 51.7 | 176.1 | -162.7 | -3.9 | 0 | 0 | 0 | 113.2 | R35 T36 F87 S88 V91 | R35-D85 WeakPolarHBondContact CA-OD1 3.48Å; T36-D85 WeakPolarHBondContact CB-OD2 3.25Å; T36-D85 PolarHBondContact N-OD2 3.46Å; T36-D85 WeakPolarHBondContact OG1-CB 3.42Å; T36-D85 PolarHBondContact OG1-OD2 2.91Å; D85-F87 PolarHBondContact O-N 2.96Å; D85-F87 VanDerWaalsContact O-N 3.09Å; D85-S88 PolarHBondContact O-N 3.12Å; D85-S88 PolarHBondContact O-OG 2.99Å; D85-S88 WeakPolarHBondContact OD1-CB 3.3Å; D85-V91 VanDerWaalsContact O-CG2 3.23Å; D85-V91 WeakPolarHBondContact O-CG2 3.47Å |
| 86 | I | 64.4 | Low | 67.5 | Low | 9 Ų | 9 | 40 Ų | 40 | 5% | 0.046 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | 8.2 | -170.3 | 67.7 | 175.7 | 0 | 0 | 0 | 114.9 | T83 P84 R101 C104 | T83-I86 HydrophobicContact CG2-CD1 4.12Å; P84-I86 HydrophobicContact CB-CG2 3.82Å; P84-I86 HydrophobicContact CG-CG2 3.81Å; P84-I86 PolarHBondContact O-N 3.13Å; I86-R101 HydrophobicContact CB-CG 4.48Å; I86-R101 HydrophobicContact CD1-CG 4.43Å; I86-C104 HydrophobicContact CD1-CB 3.8Å |
| 87 | F | 58.3 | Low | 66.7 | Low | 13 Ų | 13 | 41 Ų | 41 | 6% | 0.057 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.1 | 8.8 | 179.7 | -53.7 | -71.9 | 0 | 0 | 0 | 113.6 | V33 D85 A131 Q134 L135 | V33-F87 HydrophobicContact CB-CD2 3.86Å; V33-F87 HydrophobicContact CB-CE2 3.62Å; V33-F87 HydrophobicContact CG1-CD2 4.2Å; V33-F87 HydrophobicContact CG1-CE2 3.44Å; V33-F87 VanDerWaalsContact CG1-CE2 3.44Å; V33-F87 HydrophobicContact CG1-CZ 4.01Å; D85-F87 PolarHBondContact O-N 2.96Å; D85-F87 VanDerWaalsContact O-N 3.09Å; F87-A131 HydrophobicContact CB-CB 3.88Å; F87-A131 WeakPolarHBondContact O-CA 3.41Å; F87-A131 WeakPolarHBondContact O-CB 3.24Å; F87-Q134 PolarHBondContact O-OE1 3.44Å; F87-L135 HydrophobicContact CD1-CD2 3.7Å; F87-L135 HydrophobicContact CD1-CG 4.12Å; F87-L135 HydrophobicContact CE1-CD2 3.34Å; F87-L135 HydrophobicContact CE1-CG 4.26Å; F87-L135 HydrophobicContact CE2-CD2 4.3Å; F87-L135 HydrophobicContact CG-CD2 4.32Å; F87-L135 HydrophobicContact CZ-CD2 3.68Å |
| 88 | S | 58.5 | Low | 65.8 | Low | 10 Ų | 10 | 40.8 Ų | 40.8 | 7% | 0.07 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -79.7 | 162.9 | 172.7 | 69.9 | 0 | 0 | 0 | 0 | 112.2 | D85 Q90 V91 | D85-S88 PolarHBondContact O-N 3.12Å; D85-S88 PolarHBondContact O-OG 2.99Å; D85-S88 WeakPolarHBondContact OD1-CB 3.3Å; S88-Q90 PolarHBondContact O-N 3.39Å; S88-Q90 VanDerWaalsContact O-N 3.11Å; S88-Q90 PolarHBondContact OG-N 3.42Å; S88-V91 WeakPolarHBondContact O-CG2 3.2Å; S88-V91 PolarHBondContact O-N 3.08Å |
| 89 | S | 50.5 | Low | 64.8 | Low | 55 Ų | 55 | 48.1 Ų | 48.1 | 39% | 0.385 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | 2.8 | 168.7 | 45.9 | 0 | 0 | 0 | 0 | 114.5 | Q130 | S89-Q130 PolarHBondContact OG-OE1 3.19Š|
| 90 | Q | 51.9 | Low | 63.9 | Low | 92 Ų | 92 | 49.1 Ų | 49.1 | 43% | 0.43 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 2.1 | 175.9 | -58.4 | -163.9 | 7.2 | 0 | 0 | 113.5 | S88 S92 K93 T94 | S88-Q90 PolarHBondContact O-N 3.39Å; S88-Q90 VanDerWaalsContact O-N 3.11Å; S88-Q90 PolarHBondContact OG-N 3.42Å; Q90-S92 VanDerWaalsContact C-N 3.26Å; Q90-S92 PolarHBondContact O-N 3.26Å; Q90-K93 WeakPolarHBondContact O-CA 3.47Å; Q90-K93 WeakPolarHBondContact O-CB 3.3Å; Q90-K93 PolarHBondContact O-N 2.92Å; Q90-T94 PolarHBondContact O-N 3.46Å |
| 91 | V | 53.9 | Low | 63 | Low | 13 Ų | 13 | 53.7 Ų | 53.7 | 8% | 0.079 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -54.4 | -39 | -178.8 | 172.5 | 0 | 0 | 0 | 0 | 112.7 | D85 S88 K93 T94 D95 | D85-V91 VanDerWaalsContact O-CG2 3.23Å; D85-V91 WeakPolarHBondContact O-CG2 3.47Å; S88-V91 WeakPolarHBondContact O-CG2 3.2Å; S88-V91 PolarHBondContact O-N 3.08Å; V91-K93 PolarHBondContact O-N 2.81Å; V91-T94 PolarHBondContact O-N 3.05Å; V91-T94 PolarHBondContact O-OG1 2.89Å; V91-D95 HydrophobicContact CG1-CB 4.29Å; V91-D95 CarbonylContact O-C 3.4Å; V91-D95 PolarHBondContact O-N 2.76Å |
| 92 | S | 46 | Very low | 62 | Low | 94 Ų | 94 | 55 Ų | 55 | 66% | 0.657 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -64.4 | -6 | 175.5 | 54.2 | 0 | 0 | 0 | 0 | 115.1 | Q90 | Q90-S92 VanDerWaalsContact C-N 3.26Å; Q90-S92 PolarHBondContact O-N 3.26Å |
| 93 | K | 50.2 | Low | 61.4 | Low | 179 Ų | 179 | 58.4 Ų | 58.4 | 78% | 0.778 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -107.5 | -17.4 | 172.3 | -59.4 | -172.4 | 176.3 | -171.2 | 0 | 113.7 | Q90 V91 | Q90-K93 WeakPolarHBondContact O-CA 3.47Å; Q90-K93 WeakPolarHBondContact O-CB 3.3Å; Q90-K93 PolarHBondContact O-N 2.92Å; V91-K93 PolarHBondContact O-N 2.81Å |
| 94 | T | 50.1 | Low | 60.9 | Low | 102 Ų | 102 | 58.7 Ų | 58.7 | 63% | 0.626 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -112.8 | -23.2 | -176.1 | 58.8 | 0 | 0 | 0 | 0 | 113.6 | Q90 V91 | Q90-T94 PolarHBondContact O-N 3.46Å; V91-T94 PolarHBondContact O-N 3.05Å; V91-T94 PolarHBondContact O-OG1 2.89Å |
| 95 | D | 58.4 | Low | 60.5 | Low | 14 Ų | 14 | 61.4 Ų | 61.4 | 8% | 0.075 | 34% | 0.34 | C | S | . | . | trans | -141.8 | 69.6 | 174.1 | -179.7 | 12.2 | 0 | 0 | 0 | 108.5 | V91 G97 C98 E99 E100 R101 | V91-D95 HydrophobicContact CG1-CB 4.29Å; V91-D95 CarbonylContact O-C 3.4Å; V91-D95 PolarHBondContact O-N 2.76Å; D95-G97 PolarHBondContact O-N 2.79Å; D95-C98 VanDerWaalsContact CG-CA 3.48Å; D95-C98 PolarHBondContact O-N 3.34Å; D95-C98 VanDerWaalsContact OD1-C 3.31Å; D95-C98 WeakPolarHBondContact OD1-CA 3.3Å; D95-C98 PolarHBondContact OD1-N 2.89Å; D95-C98 VanDerWaalsContact OD2-CA 3.31Å; D95-C98 WeakPolarHBondContact OD2-CA 3.39Å; D95-E99 PolarHBondContact OD1-N 3.41Å; D95-E99 PolarHBondContact OD2-N 3.48Å; D95-E100 PolarHBondContact OD2-N 2.97Å; D95-R101 WeakPolarHBondContact OD2-CB 3.4Å; D95-R101 PolarHBondContact OD2-N 3.13Å | ||
| 96 | P | 53.9 | Low | 60.4 | Low | 110 Ų | 110 | 66.9 Ų | 66.9 | 71% | 0.714 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -22.7 | -175.3 | 27.9 | -35 | 0 | 0 | 0 | 113.2 | ||
| 97 | G | 59.5 | Low | 60.7 | Low | 52 Ų | 52 | 69 Ų | 69 | 54% | 0.536 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -9.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | D95 E99 | D95-G97 PolarHBondContact O-N 2.79Å; G97-E99 PolarHBondContact O-N 2.86Å |
| 98 | C | 63.3 | Low | 61.2 | Low | 44 Ų | 44 | 68.4 Ų | 68.4 | 30% | 0.297 | 38% | 0.377 | S | S | . | . | S | Bend | trans | 58.6 | 27.2 | -165.8 | -61.6 | 0 | 0 | 0 | 0 | 113.8 | D95 R101 G102 | D95-C98 VanDerWaalsContact CG-CA 3.48Å; D95-C98 PolarHBondContact O-N 3.34Å; D95-C98 VanDerWaalsContact OD1-C 3.31Å; D95-C98 WeakPolarHBondContact OD1-CA 3.3Å; D95-C98 PolarHBondContact OD1-N 2.89Å; D95-C98 VanDerWaalsContact OD2-CA 3.31Å; D95-C98 WeakPolarHBondContact OD2-CA 3.39Å; C98-R101 HydrophobicContact CB-CB 4.39Å; C98-R101 VanDerWaalsContact SG-CZ 3.53Å; C98-R101 PolarHBondContact SG-NH2 3.15Å; C98-G102 PolarHBondContact O-N 3.23Å |
| 99 | E | 66.8 | Low | 61.6 | Low | 158 Ų | 158 | 70.7 Ų | 70.7 | 74% | 0.738 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -71.4 | -52.1 | -175.8 | -66.9 | -179.3 | 174.6 | 0 | 0 | 111.2 | D95 G97 R101 G102 H103 | D95-E99 PolarHBondContact OD1-N 3.41Å; D95-E99 PolarHBondContact OD2-N 3.48Å; G97-E99 PolarHBondContact O-N 2.86Å; E99-R101 VanDerWaalsContact C-N 3.32Å; E99-R101 PolarHBondContact O-N 3.46Å; E99-G102 CarbonylContact O-C 3.58Å; E99-G102 WeakPolarHBondContact O-CA 3.35Å; E99-G102 PolarHBondContact O-N 3.13Å; E99-G102 VanDerWaalsContact O-N 3.15Å; E99-H103 WeakPolarHBondContact O-CB 3.43Å; E99-H103 PolarHBondContact O-N 3.38Å |
| 100 | E | 68.8 | Low | 62.3 | Low | 52 Ų | 52 | 74.9 Ų | 74.9 | 24% | 0.243 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -67.3 | -35.8 | 175.6 | -83.4 | -63.6 | 161.4 | 0 | 0 | 111.2 | A65 C66 P84 D95 G102 H103 C104 | A65-E100 WeakPolarHBondContact CA-OE2 3.36Å; A65-E100 WeakPolarHBondContact CB-OE1 3.35Å; C66-E100 PolarHBondContact N-OE2 3.28Å; C66-E100 PolarHBondContact SG-O 2.95Å; C66-E100 PolarHBondContact SG-OE2 3.2Å; C66-E100 VanDerWaalsContact SG-OE2 3.41Å; P84-E100 HydrophobicContact CG-CB 4.46Å; D95-E100 PolarHBondContact OD2-N 2.97Å; E100-G102 VanDerWaalsContact C-N 3.31Å; E100-G102 PolarHBondContact O-N 2.82Å; E100-H103 PolarHBondContact O-N 3.48Å; E100-H103 IonicContact OE1-ND1 3.56Å; E100-H103 IonicContact OE2-ND1 2.85Å; E100-H103 PolarHBondContact OE2-ND1 2.9Å; E100-H103 VanDerWaalsContact OE2-ND1 3.16Å; E100-C104 WeakPolarHBondContact O-CB 3.36Å; E100-C104 PolarHBondContact O-N 2.9Å |
| 101 | R | 68.4 | Low | 63 | Low | 96 Ų | 96 | 71.7 Ų | 71.7 | 36% | 0.362 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 171.3 | -160.8 | -179.2 | 66.5 | 171.6 | -0.8 | 111.2 | I86 D95 C98 E99 C104 Y105 | I86-R101 HydrophobicContact CB-CG 4.48Å; I86-R101 HydrophobicContact CD1-CG 4.43Å; D95-R101 WeakPolarHBondContact OD2-CB 3.4Å; D95-R101 PolarHBondContact OD2-N 3.13Å; C98-R101 HydrophobicContact CB-CB 4.39Å; C98-R101 VanDerWaalsContact SG-CZ 3.53Å; C98-R101 PolarHBondContact SG-NH2 3.15Å; E99-R101 VanDerWaalsContact C-N 3.32Å; E99-R101 PolarHBondContact O-N 3.46Å; R101-C104 PolarHBondContact O-N 3.01Å; R101-Y105 HydrophobicContact CG-CE2 3.96Å; R101-Y105 WeakPolarHBondContact O-CD2 3.37Å; R101-Y105 PolarHBondContact O-N 2.7Å |
| 102 | G | 65.2 | Low | 64 | Low | 27 Ų | 27 | 71.9 Ų | 71.9 | 28% | 0.278 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.8 | -47 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | C98 E99 E100 C104 Y105 L106 | C98-G102 PolarHBondContact O-N 3.23Å; E99-G102 CarbonylContact O-C 3.58Å; E99-G102 WeakPolarHBondContact O-CA 3.35Å; E99-G102 PolarHBondContact O-N 3.13Å; E99-G102 VanDerWaalsContact O-N 3.15Å; E100-G102 VanDerWaalsContact C-N 3.31Å; E100-G102 PolarHBondContact O-N 2.82Å; G102-C104 VanDerWaalsContact C-N 3.33Å; G102-C104 PolarHBondContact O-N 3.48Å; G102-Y105 WeakPolarHBondContact O-CB 3.49Å; G102-Y105 PolarHBondContact O-N 3.29Å; G102-L106 PolarHBondContact O-N 3.41Å |
| 103 | H | 71.9 | Confident | 65.5 | Low | 74 Ų | 74 | 71.4 Ų | 71.4 | 34% | 0.343 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -58.4 | -42.7 | 175.5 | -179.8 | -141.5 | 0 | 0 | 0 | 111.7 | E99 E100 Y105 L106 L107 | E99-H103 WeakPolarHBondContact O-CB 3.43Å; E99-H103 PolarHBondContact O-N 3.38Å; E100-H103 PolarHBondContact O-N 3.48Å; E100-H103 IonicContact OE1-ND1 3.56Å; E100-H103 IonicContact OE2-ND1 2.85Å; E100-H103 PolarHBondContact OE2-ND1 2.9Å; E100-H103 VanDerWaalsContact OE2-ND1 3.16Å; H103-Y105 PolarHBondContact O-N 3.21Å; H103-L106 PolarHBondContact O-N 3.17Å; H103-L107 WeakPolarHBondContact O-CB 3.47Å; H103-L107 WeakPolarHBondContact O-CG 3.23Å; H103-L107 PolarHBondContact O-N 3.46Å |
| 104 | C | 70.4 | Confident | 66.8 | Low | 6 Ų | 6 | 63.1 Ų | 63.1 | 4% | 0.041 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.2 | -38.4 | 171.2 | -99.1 | 0 | 0 | 0 | 0 | 113.4 | C66 T83 I86 E100 R101 G102 S108 | C66-C104 HydrophobicContact CB-CB 4.09Å; C66-C104 WeakPolarHBondContact CB-SG 3.29Å; C66-C104 VanDerWaalsContact SG-CA 3.58Å; C66-C104 WeakPolarHBondContact SG-CB 3.5Å; C66-C104 CovalentContact SG-SG 2.03Å; C66-C104 PolarHBondContact SG-SG 2.66Å; T83-C104 VanDerWaalsContact CG2-SG 3.51Å; I86-C104 HydrophobicContact CD1-CB 3.8Å; E100-C104 WeakPolarHBondContact O-CB 3.36Å; E100-C104 PolarHBondContact O-N 2.9Å; R101-C104 PolarHBondContact O-N 3.01Å; G102-C104 VanDerWaalsContact C-N 3.33Å; G102-C104 PolarHBondContact O-N 3.48Å; C104-S108 VanDerWaalsContact O-CB 3.28Å; C104-S108 WeakPolarHBondContact O-CB 3.47Å; C104-S108 PolarHBondContact O-N 2.98Å; C104-S108 PolarHBondContact O-OG 3.31Å |
| 105 | Y | 67.8 | Low | 68 | Low | 69 Ų | 69 | 58.3 Ų | 58.3 | 27% | 0.271 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.8 | -43.4 | 173.3 | -71.8 | -69.9 | 0 | 0 | 0 | 111.6 | R101 G102 H103 S108 A109 A139 F140 | R101-Y105 HydrophobicContact CG-CE2 3.96Å; R101-Y105 WeakPolarHBondContact O-CD2 3.37Å; R101-Y105 PolarHBondContact O-N 2.7Å; G102-Y105 WeakPolarHBondContact O-CB 3.49Å; G102-Y105 PolarHBondContact O-N 3.29Å; H103-Y105 PolarHBondContact O-N 3.21Å; Y105-S108 CarbonylContact O-C 3.51Å; Y105-S108 WeakPolarHBondContact O-CA 3.4Å; Y105-S108 WeakPolarHBondContact O-CB 3.42Å; Y105-S108 PolarHBondContact O-N 3.44Å; Y105-A109 PolarHBondContact O-N 3.4Å; Y105-A139 HydrophobicContact CE1-CB 4.04Å; Y105-F140 HydrophobicContact CD1-CD1 4.41Å; Y105-F140 AromaticContact CD1-CE1 3.65Å; Y105-F140 HydrophobicContact CD1-CE1 3.65Å; Y105-F140 HydrophobicContact CD1-CE2 4.05Å; Y105-F140 AromaticContact CD1-CZ 3.45Å; Y105-F140 HydrophobicContact CD1-CZ 3.45Å; Y105-F140 VanDerWaalsContact CD1-CZ 3.45Å; Y105-F140 HydrophobicContact CE1-CD1 4.08Å; Y105-F140 AromaticContact CE1-CD2 3.85Å; Y105-F140 HydrophobicContact CE1-CD2 3.85Å; Y105-F140 AromaticContact CE1-CE1 3.66Å; Y105-F140 HydrophobicContact CE1-CE1 3.66Å; Y105-F140 AromaticContact CE1-CE2 3.4Å; Y105-F140 HydrophobicContact CE1-CE2 3.4Å; Y105-F140 HydrophobicContact CE1-CG 4.18Å; Y105-F140 AromaticContact CE1-CZ 3.3Å; Y105-F140 HydrophobicContact CE1-CZ 3.3Å |
| 106 | L | 69.4 | Low | 69 | Low | 136 Ų | 136 | 57.9 Ų | 57.9 | 71% | 0.712 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -62.5 | -47.3 | 178 | -68.3 | 171.5 | 0 | 0 | 0 | 111.9 | G102 H103 S108 A109 | G102-L106 PolarHBondContact O-N 3.41Å; H103-L106 PolarHBondContact O-N 3.17Å; L106-S108 PolarHBondContact O-N 3.05Å; L106-A109 PolarHBondContact O-N 3.04Å |
| 107 | L | 72.2 | Confident | 70 | Confident | 52 Ų | 52 | 52.9 Ų | 52.9 | 27% | 0.272 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -10.8 | 171.9 | -69.7 | 176.5 | 0 | 0 | 0 | 113.4 | R29 C66 H103 | R29-L107 PolarHBondContact NH1-O 3.32Å; C66-L107 HydrophobicContact CB-CD1 3.76Å; H103-L107 WeakPolarHBondContact O-CB 3.47Å; H103-L107 WeakPolarHBondContact O-CG 3.23Å; H103-L107 PolarHBondContact O-N 3.46Å |
| 108 | S | 68.6 | Low | 70.8 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.014 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -4.1 | 179.8 | -58.8 | 0 | 0 | 0 | 0 | 114.6 | I31 C104 Y105 L106 G111 | I31-S108 WeakPolarHBondContact CD1-OG 3.17Å; C104-S108 VanDerWaalsContact O-CB 3.28Å; C104-S108 WeakPolarHBondContact O-CB 3.47Å; C104-S108 PolarHBondContact O-N 2.98Å; C104-S108 PolarHBondContact O-OG 3.31Å; Y105-S108 CarbonylContact O-C 3.51Å; Y105-S108 WeakPolarHBondContact O-CA 3.4Å; Y105-S108 WeakPolarHBondContact O-CB 3.42Å; Y105-S108 PolarHBondContact O-N 3.44Å; L106-S108 PolarHBondContact O-N 3.05Å; S108-G111 CarbonylContact O-C 3.19Å; S108-G111 WeakPolarHBondContact O-CA 3.35Å; S108-G111 PolarHBondContact O-N 2.63Å |
| 109 | A | 66.1 | Low | 71.1 | Confident | 57 Ų | 57 | 48.7 Ų | 48.7 | 47% | 0.471 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | 138.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R29 Y105 L106 | R29-A109 PolarHBondContact NH1-O 2.85Å; Y105-A109 PolarHBondContact O-N 3.4Å; L106-A109 PolarHBondContact O-N 3.04Å |
| 110 | P | 65.3 | Low | 71 | Confident | 143 Ų | 143 | 42.8 Ų | 42.8 | 93% | 0.929 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -79.8 | -14.5 | 6.4 | 32.8 | -36.9 | 0 | 0 | 0 | 114.6 | ||
| 111 | G | 66.4 | Low | 70.3 | Confident | 26 Ų | 26 | 43 Ų | 43 | 27% | 0.268 | 24% | 0.241 | S | C | . | . | trans | 173.2 | 157.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S108 | S108-G111 CarbonylContact O-C 3.19Å; S108-G111 WeakPolarHBondContact O-CA 3.35Å; S108-G111 PolarHBondContact O-N 2.63Å | ||
| 112 | P | 74.9 | Confident | 69.4 | Low | 16 Ų | 16 | 39.6 Ų | 39.6 | 10% | 0.104 | 24% | 0.236 | C | C | . | . | trans | -64.4 | 141.2 | 167.4 | 27.1 | -32.9 | 0 | 0 | 0 | 110.8 | I31 L115 F140 | I31-P112 HydrophobicContact CD1-CB 3.67Å; I31-P112 HydrophobicContact CD1-CG 3.9Å; I31-P112 HydrophobicContact CG1-CB 3.97Å; P112-L115 HydrophobicContact CB-CD2 3.77Å; P112-L115 HydrophobicContact CG-CD2 3.8Å; P112-F140 HydrophobicContact CG-CD1 3.96Å; P112-F140 HydrophobicContact CG-CE1 3.77Å; P112-F140 HydrophobicContact CG-CZ 4.44Å | ||
| 113 | H | 78.2 | Confident | 68.9 | Low | 84 Ų | 84 | 40.1 Ų | 40.1 | 39% | 0.389 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -81.5 | -32.8 | 166.8 | -67.2 | 56.5 | 0 | 0 | 0 | 110.8 | T27 R29 | T27-H113 PolarHBondContact O-NE2 2.86Å; T27-H113 VanDerWaalsContact O-NE2 3.13Å; R29-H113 PolarHBondContact N-ND1 3.14Å; R29-H113 WeakPolarHBondContact O-CB 3.31Å; R29-H113 PolarHBondContact O-N 2.93Å |
| 114 | A | 77.5 | Confident | 68.3 | Low | 6 Ų | 6 | 40.5 Ų | 40.5 | 5% | 0.05 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 150.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R29 L30 I31 L146 L148 | R29-A114 PolarHBondContact O-N 3.38Å; L30-A114 HydrophobicContact CD2-CB 3.89Å; I31-A114 PolarHBondContact N-O 3.44Å; A114-L146 CarbonylContact C-O 3.56Å; A114-L146 WeakPolarHBondContact CA-O 3.25Å; A114-L146 HydrophobicContact CB-CB 4.15Å; A114-L146 WeakPolarHBondContact CB-O 3.48Å; A114-L148 HydrophobicContact CB-CD1 4.5Å |
| 115 | L | 74.6 | Confident | 67.7 | Low | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 121.1 | 164.9 | -57.3 | -171.6 | 0 | 0 | 0 | 108 | I31 V33 P112 L135 F140 W145 L146 L147 L148 | I31-L115 HydrophobicContact CB-CD2 3.8Å; I31-L115 HydrophobicContact CD1-CD2 3.75Å; I31-L115 HydrophobicContact CG1-CD2 4.13Å; V33-L115 HydrophobicContact CG1-CD2 4.38Å; V33-L115 HydrophobicContact CG2-CB 4.31Å; P112-L115 HydrophobicContact CB-CD2 3.77Å; P112-L115 HydrophobicContact CG-CD2 3.8Å; L115-L135 HydrophobicContact CD1-CD2 3.84Å; L115-F140 HydrophobicContact CD1-CD2 4.27Å; L115-W145 HydrophobicContact CB-CE3 4.14Å; L115-W145 HydrophobicContact CB-CZ3 4.38Å; L115-W145 HydrophobicContact CD1-CD2 4.02Å; L115-W145 HydrophobicContact CD1-CE3 3.57Å; L115-W145 HydrophobicContact CD1-CH2 3.95Å; L115-W145 HydrophobicContact CD1-CZ2 4.35Å; L115-W145 HydrophobicContact CD1-CZ3 3.54Å; L115-W145 HydrophobicContact CG-CD2 4.17Å; L115-W145 HydrophobicContact CG-CE3 3.7Å; L115-W145 HydrophobicContact CG-CZ3 4.11Å; L115-L146 PolarHBondContact N-O 3.49Å; L115-L147 HydrophobicContact CB-CD1 3.88Å; L115-L147 WeakPolarHBondContact O-CA 3.48Å; L115-L148 PolarHBondContact O-N 3.08Å |
| 116 | L | 79.2 | Confident | 67.3 | Low | 5 Ų | 5 | 42.6 Ų | 42.6 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 99.3 | 175 | -59.3 | -171.3 | 0 | 0 | 0 | 108 | L30 I31 L32 V33 I47 V118 L148 | L30-L116 HydrophobicContact CB-CD1 4.27Å; L30-L116 HydrophobicContact CB-CG 4.49Å; L30-L116 HydrophobicContact CD1-CD1 4.2Å; I31-L116 PolarHBondContact O-N 3.23Å; L32-L116 HydrophobicContact CD2-CB 3.83Å; L32-L116 HydrophobicContact CD2-CD1 3.69Å; L32-L116 HydrophobicContact CD2-CG 4.19Å; V33-L116 PolarHBondContact N-O 2.95Å; I47-L116 HydrophobicContact CD1-CD1 3.57Å; L116-V118 PolarHBondContact O-N 2.91Å; L116-V118 VanDerWaalsContact O-N 3.15Å; L116-L148 CarbonylContact C-O 3.55Å; L116-L148 WeakPolarHBondContact CA-O 3.29Å; L116-L148 HydrophobicContact CD2-CB 3.66Å; L116-L148 HydrophobicContact CD2-CD1 3.71Å; L116-L148 HydrophobicContact CD2-CG 4.25Å |
| 117 | L | 75.6 | Confident | 66.9 | Low | 6 Ų | 6 | 38.5 Ų | 38.5 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 106.8 | 171 | -178.1 | 72.9 | 0 | 0 | 0 | 108.1 | V33 T119 F124 V132 L147 L148 N149 C150 | V33-L117 HydrophobicContact CG2-CB 4.15Å; V33-L117 HydrophobicContact CG2-CD1 4.04Å; V33-L117 CarbonylContact O-C 3.58Å; V33-L117 WeakPolarHBondContact O-CA 3.49Å; L117-T119 HydrophobicContact CD2-CG2 4.07Å; L117-T119 HydrophobicContact CG-CG2 4.04Å; L117-F124 HydrophobicContact CD2-CE2 4.17Å; L117-V132 HydrophobicContact CD1-CG2 4.38Å; L117-V132 HydrophobicContact CD2-CG2 3.58Å; L117-L147 HydrophobicContact CB-CD1 4.03Å; L117-L148 PolarHBondContact N-O 2.65Å; L117-N149 CarbonylContact O-C 3.4Å; L117-N149 WeakPolarHBondContact O-CA 3.31Å; L117-N149 PolarHBondContact O-OD1 3.14Å; L117-C150 PolarHBondContact O-N 3.31Å; L117-C150 VanDerWaalsContact O-O 3.12Å |
| 118 | V | 75.9 | Confident | 66.4 | Low | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 114.5 | 177 | -171.7 | 0 | 0 | 0 | 0 | 108.9 | L32 V33 A38 K40 T43 L116 C150 C152 | L32-V118 HydrophobicContact CB-CG2 4.27Å; V33-V118 PolarHBondContact O-N 3.03Å; A38-V118 HydrophobicContact CB-CG1 4.44Å; A38-V118 WeakPolarHBondContact CB-O 3.36Å; K40-V118 HydrophobicContact CG-CB 4.07Å; K40-V118 HydrophobicContact CG-CG1 4.49Å; K40-V118 HydrophobicContact CG-CG2 4.27Å; T43-V118 HydrophobicContact CG2-CG2 4.29Å; L116-V118 PolarHBondContact O-N 2.91Å; L116-V118 VanDerWaalsContact O-N 3.15Å; V118-C150 CarbonylContact C-O 3.48Å; V118-C150 WeakPolarHBondContact CA-O 3.26Å; V118-C150 HydrophobicContact CG2-CB 4.43Å; V118-C152 HydrophobicContact CG1-CB 4.11Å |
| 119 | T | 70.2 | Confident | 66.2 | Low | 7 Ų | 7 | 40.4 Ų | 40.4 | 4% | 0.043 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 175.5 | 172.1 | 60.1 | 0 | 0 | 0 | 0 | 110.7 | L117 N149 C150 V151 C152 | L117-T119 HydrophobicContact CD2-CG2 4.07Å; L117-T119 HydrophobicContact CG-CG2 4.04Å; T119-N149 WeakPolarHBondContact CG2-OD1 3.18Å; T119-N149 PolarHBondContact OG1-OD1 2.91Å; T119-C150 PolarHBondContact N-O 3.25Å; T119-V151 WeakPolarHBondContact O-CA 3.3Å; T119-C152 PolarHBondContact O-N 3.31Å |
| 120 | Q | 63.8 | Low | 66.1 | Low | 35 Ų | 35 | 41.4 Ų | 41.4 | 16% | 0.164 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 152.7 | 169.8 | -99 | -168 | -7 | 0 | 0 | 111 | G122 R123 V151 | Q120-G122 PolarHBondContact O-N 3.18Å; Q120-R123 PolarHBondContact O-N 2.96Å; Q120-V151 VanDerWaalsContact C-CG1 3.49Å |
| 121 | L | 55.7 | Low | 66 | Low | 55 Ų | 55 | 34.7 Ų | 34.7 | 29% | 0.288 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | 135.4 | -180 | -83.2 | 172.2 | 0 | 0 | 0 | 111.7 | R123 V151 V159 | L121-R123 VanDerWaalsContact C-N 3.26Å; L121-R123 PolarHBondContact O-N 3.33Å; L121-V151 HydrophobicContact CB-CG1 4.18Å; L121-V151 HydrophobicContact CD2-CG1 3.8Å; L121-V151 HydrophobicContact CG-CG1 3.67Å; L121-V159 HydrophobicContact CD2-CG2 4.13Å |
| 122 | G | 48.2 | Very low | 66 | Low | 25 Ų | 25 | 34.8 Ų | 34.8 | 26% | 0.258 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 0.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q120 R262 | Q120-G122 PolarHBondContact O-N 3.18Å; G122-R262 CarbonylContact O-C 3.59Å; G122-R262 VanDerWaalsContact O-O 3.09Å |
| 123 | R | 55 | Low | 65.5 | Low | 39 Ų | 39 | 40.6 Ų | 40.6 | 15% | 0.147 | 21% | 0.209 | C | C | . | . | B | Isolated β-bridge | trans | -133.4 | 84.1 | -178.9 | -60 | -161.2 | -153.3 | 138.8 | 9.5 | 114 | Q120 L121 T125 G241 Q323 | Q120-R123 PolarHBondContact O-N 2.96Å; L121-R123 VanDerWaalsContact C-N 3.26Å; L121-R123 PolarHBondContact O-N 3.33Å; R123-T125 HydrophobicContact CB-CG2 4.03Å; R123-G241 PolarHBondContact NE-O 3.19Å; R123-G241 PolarHBondContact NH2-O 3.08Å; R123-Q323 VanDerWaalsContact CZ-OE1 3.31Å; R123-Q323 VanDerWaalsContact NH2-OE1 3.11Å |
| 124 | F | 58.4 | Low | 64.8 | Low | 82 Ų | 82 | 40.6 Ų | 40.6 | 36% | 0.36 | 21% | 0.209 | S | C | . | . | trans | -95 | 97.5 | 155.6 | -173.1 | -91.9 | 0 | 0 | 0 | 107.8 | L117 D128 Q129 V132 A263 | L117-F124 HydrophobicContact CD2-CE2 4.17Å; F124-D128 WeakPolarHBondContact CA-OD2 3.39Å; F124-D128 HydrophobicContact CD2-CB 3.83Å; F124-D128 HydrophobicContact CE2-CB 3.79Å; F124-D128 HydrophobicContact CG-CB 4.33Å; F124-D128 HydrophobicContact CZ-CB 4.26Å; F124-Q129 HydrophobicContact CE1-CB 3.78Å; F124-Q129 HydrophobicContact CE1-CG 4.11Å; F124-Q129 HydrophobicContact CZ-CB 4.15Å; F124-Q129 HydrophobicContact CZ-CG 4.49Å; F124-V132 HydrophobicContact CE2-CG2 4.33Å; F124-V132 HydrophobicContact CZ-CG2 4.39Å; F124-A263 HydrophobicContact CB-CB 4.38Å | ||
| 125 | T | 59.3 | Low | 64.1 | Low | 42 Ų | 42 | 40.5 Ų | 40.5 | 26% | 0.258 | 21% | 0.208 | S | C | . | . | trans | -100.7 | 170.1 | -174 | 102.2 | 0 | 0 | 0 | 0 | 111.7 | R35 R123 Q127 D128 Q129 | R35-T125 PolarHBondContact NH1-OG1 2.99Å; R35-T125 PolarHBondContact NH2-OG1 3.11Å; R123-T125 HydrophobicContact CB-CG2 4.03Å; T125-Q127 PolarHBondContact O-N 3.01Å; T125-D128 PolarHBondContact N-OD2 3.31Å; T125-D128 PolarHBondContact O-N 3.21Å; T125-Q129 PolarHBondContact O-N 2.64Å; T125-Q129 VanDerWaalsContact O-N 3.1Å | ||
| 126 | A | 59.1 | Low | 63.3 | Low | 76 Ų | 76 | 43.1 Ų | 43.1 | 63% | 0.628 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -52.6 | -29.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q129 Q130 | A126-Q129 PolarHBondContact O-N 2.83Å; A126-Q130 WeakPolarHBondContact O-CB 3.48Å; A126-Q130 PolarHBondContact O-N 2.9Å |
| 127 | Q | 60.2 | Low | 62 | Low | 51 Ų | 51 | 50.6 Ų | 50.6 | 24% | 0.238 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73.5 | -29.9 | 174.2 | -75.4 | 178.6 | -19.1 | 0 | 0 | 113.6 | T125 Q130 A131 | T125-Q127 PolarHBondContact O-N 3.01Å; Q127-Q130 PolarHBondContact O-N 3.4Å; Q127-A131 WeakPolarHBondContact O-CB 3.48Å; Q127-A131 PolarHBondContact O-N 3.14Å |
| 128 | D | 62.8 | Low | 60.9 | Low | 5 Ų | 5 | 52.1 Ų | 52.1 | 3% | 0.027 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -71.4 | -40.2 | 170.7 | -52 | -44.9 | 0 | 0 | 0 | 109.8 | R35 F124 T125 Q130 A131 V132 | R35-D128 IonicContact CZ-OD1 2.68Å; R35-D128 VanDerWaalsContact CZ-OD1 3.23Å; R35-D128 IonicContact CZ-OD2 2.87Å; R35-D128 IonicContact NE-OD1 3.47Å; R35-D128 PolarHBondContact NE-OD1 3.23Å; R35-D128 IonicContact NH2-OD1 2.86Å; R35-D128 PolarHBondContact NH2-OD1 2.98Å; R35-D128 IonicContact NH2-OD2 3.29Å; R35-D128 PolarHBondContact NH2-OD2 2.79Å; F124-D128 WeakPolarHBondContact CA-OD2 3.39Å; F124-D128 HydrophobicContact CD2-CB 3.83Å; F124-D128 HydrophobicContact CE2-CB 3.79Å; F124-D128 HydrophobicContact CG-CB 4.33Å; F124-D128 HydrophobicContact CZ-CB 4.26Å; T125-D128 PolarHBondContact N-OD2 3.31Å; T125-D128 PolarHBondContact O-N 3.21Å; D128-Q130 PolarHBondContact O-N 2.93Å; D128-A131 PolarHBondContact O-N 2.7Å; D128-V132 WeakPolarHBondContact O-CB 3.34Å; D128-V132 VanDerWaalsContact O-CG2 3.3Å; D128-V132 WeakPolarHBondContact O-CG2 3.43Å; D128-V132 PolarHBondContact O-N 3.12Å |
| 129 | Q | 64.3 | Low | 59.6 | Low | 89 Ų | 89 | 56 Ų | 56 | 42% | 0.416 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.4 | -36.2 | 172.9 | -160.5 | -175.6 | 13.6 | 0 | 0 | 111.4 | F124 T125 A126 R133 | F124-Q129 HydrophobicContact CE1-CB 3.78Å; F124-Q129 HydrophobicContact CE1-CG 4.11Å; F124-Q129 HydrophobicContact CZ-CB 4.15Å; F124-Q129 HydrophobicContact CZ-CG 4.49Å; T125-Q129 PolarHBondContact O-N 2.64Å; T125-Q129 VanDerWaalsContact O-N 3.1Å; A126-Q129 PolarHBondContact O-N 2.83Å; Q129-R133 VanDerWaalsContact NE2-NH2 3.14Å; Q129-R133 WeakPolarHBondContact O-CB 3.39Å; Q129-R133 VanDerWaalsContact O-CG 3.24Å; Q129-R133 WeakPolarHBondContact O-CG 3.45Å; Q129-R133 PolarHBondContact O-N 3.09Å |
| 130 | Q | 62.9 | Low | 58.7 | Low | 78 Ų | 78 | 56.9 Ų | 56.9 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -69.5 | -43.3 | 173.8 | -173.1 | 171 | 12.7 | 0 | 0 | 112.1 | S89 A126 Q127 D128 R133 Q134 | S89-Q130 PolarHBondContact OG-OE1 3.19Å; A126-Q130 WeakPolarHBondContact O-CB 3.48Å; A126-Q130 PolarHBondContact O-N 2.9Å; Q127-Q130 PolarHBondContact O-N 3.4Å; D128-Q130 PolarHBondContact O-N 2.93Å; Q130-R133 PolarHBondContact O-N 3.46Å; Q130-Q134 PolarHBondContact O-N 2.85Å |
| 131 | A | 64.3 | Low | 57.8 | Low | 2 Ų | 2 | 58.7 Ų | 58.7 | 2% | 0.017 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F87 Q127 D128 R133 Q134 L135 | F87-A131 HydrophobicContact CB-CB 3.88Å; F87-A131 WeakPolarHBondContact O-CA 3.41Å; F87-A131 WeakPolarHBondContact O-CB 3.24Å; Q127-A131 WeakPolarHBondContact O-CB 3.48Å; Q127-A131 PolarHBondContact O-N 3.14Å; D128-A131 PolarHBondContact O-N 2.7Å; A131-R133 VanDerWaalsContact C-N 3.35Å; A131-R133 PolarHBondContact O-N 3.03Å; A131-Q134 PolarHBondContact O-N 3.36Å; A131-L135 WeakPolarHBondContact O-CG 3.47Å; A131-L135 PolarHBondContact O-N 2.86Å |
| 132 | V | 65.1 | Low | 57.3 | Low | 28 Ų | 28 | 60.6 Ų | 60.6 | 17% | 0.17 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.2 | -40.6 | 174.3 | 171.1 | 0 | 0 | 0 | 0 | 111.7 | L117 F124 D128 L135 S136 L147 | L117-V132 HydrophobicContact CD1-CG2 4.38Å; L117-V132 HydrophobicContact CD2-CG2 3.58Å; F124-V132 HydrophobicContact CE2-CG2 4.33Å; F124-V132 HydrophobicContact CZ-CG2 4.39Å; D128-V132 WeakPolarHBondContact O-CB 3.34Å; D128-V132 VanDerWaalsContact O-CG2 3.3Å; D128-V132 WeakPolarHBondContact O-CG2 3.43Å; D128-V132 PolarHBondContact O-N 3.12Å; V132-L135 PolarHBondContact O-N 3.35Å; V132-S136 PolarHBondContact O-N 3.21Å; V132-S136 PolarHBondContact O-OG 2.9Å; V132-L147 HydrophobicContact CG1-CD2 4.2Å; V132-L147 HydrophobicContact CG2-CD2 4.35Å |
| 133 | R | 65.2 | Low | 57.1 | Low | 138 Ų | 138 | 64.1 Ų | 64.1 | 52% | 0.521 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 173.4 | -74.3 | 174.7 | -163.8 | -167.2 | 9.3 | 112.4 | Q129 Q130 A131 L135 S136 H137 | Q129-R133 VanDerWaalsContact NE2-NH2 3.14Å; Q129-R133 WeakPolarHBondContact O-CB 3.39Å; Q129-R133 VanDerWaalsContact O-CG 3.24Å; Q129-R133 WeakPolarHBondContact O-CG 3.45Å; Q129-R133 PolarHBondContact O-N 3.09Å; Q130-R133 PolarHBondContact O-N 3.46Å; A131-R133 VanDerWaalsContact C-N 3.35Å; A131-R133 PolarHBondContact O-N 3.03Å; R133-L135 VanDerWaalsContact C-N 3.33Å; R133-S136 WeakPolarHBondContact CA-OG 3.42Å; R133-S136 PolarHBondContact O-N 3.47Å; R133-S136 PolarHBondContact O-OG 2.81Å; R133-S136 VanDerWaalsContact O-OG 3.06Å; R133-H137 WeakPolarHBondContact O-CB 3.18Å; R133-H137 PolarHBondContact O-CD2 3.28Å; R133-H137 PolarHBondContact O-N 2.69Å |
| 134 | Q | 63.6 | Low | 56.5 | Low | 83 Ų | 83 | 67.4 Ų | 67.4 | 39% | 0.388 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68.3 | -32.5 | 175.6 | -75.7 | -171.2 | -11 | 0 | 0 | 112.3 | F87 Q130 A131 G138 | F87-Q134 PolarHBondContact O-OE1 3.44Å; Q130-Q134 PolarHBondContact O-N 2.85Å; A131-Q134 PolarHBondContact O-N 3.36Å; Q134-G138 VanDerWaalsContact O-CA 3.31Å; Q134-G138 WeakPolarHBondContact O-CA 3.46Å; Q134-G138 PolarHBondContact O-N 3.1Å |
| 135 | L | 62.5 | Low | 56.1 | Low | 4 Ų | 4 | 65.7 Ų | 65.7 | 2% | 0.021 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67.4 | -42 | 170.5 | -71.2 | 169.3 | 0 | 0 | 0 | 111.8 | V33 F87 L115 A131 V132 R133 H137 F140 W145 | V33-L135 HydrophobicContact CB-CD1 4.34Å; V33-L135 HydrophobicContact CG2-CD1 3.75Å; F87-L135 HydrophobicContact CD1-CD2 3.7Å; F87-L135 HydrophobicContact CD1-CG 4.12Å; F87-L135 HydrophobicContact CE1-CD2 3.34Å; F87-L135 HydrophobicContact CE1-CG 4.26Å; F87-L135 HydrophobicContact CE2-CD2 4.3Å; F87-L135 HydrophobicContact CG-CD2 4.32Å; F87-L135 HydrophobicContact CZ-CD2 3.68Å; L115-L135 HydrophobicContact CD1-CD2 3.84Å; A131-L135 WeakPolarHBondContact O-CG 3.47Å; A131-L135 PolarHBondContact O-N 2.86Å; V132-L135 PolarHBondContact O-N 3.35Å; R133-L135 VanDerWaalsContact C-N 3.33Å; L135-H137 VanDerWaalsContact C-N 3.32Å; L135-H137 PolarHBondContact O-N 2.85Å; L135-F140 HydrophobicContact CD2-CD2 4.47Å; L135-W145 HydrophobicContact CB-CH2 4.29Å |
| 136 | S | 57.2 | Low | 55.5 | Low | 55 Ų | 55 | 68 Ų | 68 | 39% | 0.385 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -76.7 | -13.3 | 179.2 | 66 | 0 | 0 | 0 | 0 | 115.1 | V132 R133 | V132-S136 PolarHBondContact O-N 3.21Å; V132-S136 PolarHBondContact O-OG 2.9Å; R133-S136 WeakPolarHBondContact CA-OG 3.42Å; R133-S136 PolarHBondContact O-N 3.47Å; R133-S136 PolarHBondContact O-OG 2.81Å; R133-S136 VanDerWaalsContact O-OG 3.06Å |
| 137 | H | 53.1 | Low | 54.9 | Low | 163 Ų | 163 | 65.3 Ų | 65.3 | 76% | 0.755 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.7 | 8.1 | 176.2 | -63.4 | -59.9 | 0 | 0 | 0 | 113 | R133 L135 | R133-H137 WeakPolarHBondContact O-CB 3.18Å; R133-H137 PolarHBondContact O-CD2 3.28Å; R133-H137 PolarHBondContact O-N 2.69Å; L135-H137 VanDerWaalsContact C-N 3.32Å; L135-H137 PolarHBondContact O-N 2.85Å |
| 138 | G | 53.3 | Low | 54.4 | Low | 37 Ų | 37 | 64.2 Ų | 64.2 | 38% | 0.381 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -97 | -170.2 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q134 F140 | Q134-G138 VanDerWaalsContact O-CA 3.31Å; Q134-G138 WeakPolarHBondContact O-CA 3.46Å; Q134-G138 PolarHBondContact O-N 3.1Å; G138-F140 PolarHBondContact O-N 3.01Å; G138-F140 VanDerWaalsContact O-N 3.15Å |
| 139 | A | 47.9 | Very low | 53.8 | Low | 82 Ų | 82 | 65.7 Ų | 65.7 | 68% | 0.678 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -72 | -4.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y105 S141 | Y105-A139 HydrophobicContact CE1-CB 4.04Å; A139-S141 PolarHBondContact O-N 3.26Å |
| 140 | F | 50.9 | Low | 53.2 | Low | 26 Ų | 26 | 61.8 Ų | 61.8 | 11% | 0.114 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -88.1 | 97.2 | 172.8 | -66.3 | -63.4 | 0 | 0 | 0 | 110.3 | I31 Y105 P112 L115 L135 G138 W145 | I31-F140 HydrophobicContact CD1-CE1 4.35Å; I31-F140 HydrophobicContact CD1-CZ 3.84Å; Y105-F140 HydrophobicContact CD1-CD1 4.41Å; Y105-F140 AromaticContact CD1-CE1 3.65Å; Y105-F140 HydrophobicContact CD1-CE1 3.65Å; Y105-F140 HydrophobicContact CD1-CE2 4.05Å; Y105-F140 AromaticContact CD1-CZ 3.45Å; Y105-F140 HydrophobicContact CD1-CZ 3.45Å; Y105-F140 VanDerWaalsContact CD1-CZ 3.45Å; Y105-F140 HydrophobicContact CE1-CD1 4.08Å; Y105-F140 AromaticContact CE1-CD2 3.85Å; Y105-F140 HydrophobicContact CE1-CD2 3.85Å; Y105-F140 AromaticContact CE1-CE1 3.66Å; Y105-F140 HydrophobicContact CE1-CE1 3.66Å; Y105-F140 AromaticContact CE1-CE2 3.4Å; Y105-F140 HydrophobicContact CE1-CE2 3.4Å; Y105-F140 HydrophobicContact CE1-CG 4.18Å; Y105-F140 AromaticContact CE1-CZ 3.3Å; Y105-F140 HydrophobicContact CE1-CZ 3.3Å; P112-F140 HydrophobicContact CG-CD1 3.96Å; P112-F140 HydrophobicContact CG-CE1 3.77Å; P112-F140 HydrophobicContact CG-CZ 4.44Å; L115-F140 HydrophobicContact CD1-CD2 4.27Å; L135-F140 HydrophobicContact CD2-CD2 4.47Å; G138-F140 PolarHBondContact O-N 3.01Å; G138-F140 VanDerWaalsContact O-N 3.15Å; F140-W145 HydrophobicContact CB-CZ2 4.13Å; F140-W145 PolarHBondContact O-NE1 2.8Å |
| 141 | S | 44.6 | Very low | 52.6 | Low | 73 Ų | 73 | 59.7 Ų | 59.7 | 51% | 0.51 | 35% | 0.345 | S | S | . | . | trans | -47.6 | 124.4 | 177.4 | -177.9 | 0 | 0 | 0 | 0 | 111.5 | A139 S143 W145 | A139-S141 PolarHBondContact O-N 3.26Å; S141-S143 PolarHBondContact O-N 2.93Å; S141-S143 PolarHBondContact OG-OG 3.25Å; S141-S143 VanDerWaalsContact OG-OG 3.06Å; S141-W145 VanDerWaalsContact O-CD1 3.26Å; S141-W145 PolarHBondContact O-NE1 2.97Å | ||
| 142 | P | 45.9 | Very low | 51.6 | Low | 95 Ų | 95 | 61 Ų | 61 | 62% | 0.617 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -1.1 | -172.5 | -25.7 | 35 | 0 | 0 | 0 | 116.7 | ||
| 143 | S | 42.9 | Very low | 50.5 | Low | 98 Ų | 98 | 61.2 Ų | 61.2 | 69% | 0.685 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -10.8 | -171.7 | 50.3 | 0 | 0 | 0 | 0 | 115.5 | S141 | S141-S143 PolarHBondContact O-N 2.93Å; S141-S143 PolarHBondContact OG-OG 3.25Å; S141-S143 VanDerWaalsContact OG-OG 3.06Å |
| 144 | T | 43.2 | Very low | 49.2 | Very low | 109 Ų | 109 | 59.2 Ų | 59.2 | 67% | 0.669 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -133.9 | -1.3 | -156.6 | -28.2 | 0 | 0 | 0 | 0 | 115.6 | ||
| 145 | W | 50.6 | Low | 47.8 | Very low | 45 Ų | 45 | 57.8 Ų | 57.8 | 17% | 0.17 | 36% | 0.359 | C | S | . | . | trans | -137.8 | 146 | -173.7 | 48.8 | -85 | 0 | 0 | 0 | 113.3 | L115 L135 F140 S141 L147 | L115-W145 HydrophobicContact CB-CE3 4.14Å; L115-W145 HydrophobicContact CB-CZ3 4.38Å; L115-W145 HydrophobicContact CD1-CD2 4.02Å; L115-W145 HydrophobicContact CD1-CE3 3.57Å; L115-W145 HydrophobicContact CD1-CH2 3.95Å; L115-W145 HydrophobicContact CD1-CZ2 4.35Å; L115-W145 HydrophobicContact CD1-CZ3 3.54Å; L115-W145 HydrophobicContact CG-CD2 4.17Å; L115-W145 HydrophobicContact CG-CE3 3.7Å; L115-W145 HydrophobicContact CG-CZ3 4.11Å; L135-W145 HydrophobicContact CB-CH2 4.29Å; F140-W145 HydrophobicContact CB-CZ2 4.13Å; F140-W145 PolarHBondContact O-NE1 2.8Å; S141-W145 VanDerWaalsContact O-CD1 3.26Å; S141-W145 PolarHBondContact O-NE1 2.97Å; W145-L147 HydrophobicContact CE3-CB 4.31Å; W145-L147 HydrophobicContact CZ3-CB 3.91Å; W145-L147 HydrophobicContact CZ3-CD1 4.16Å; W145-L147 HydrophobicContact CZ3-CG 4.44Å | ||
| 146 | L | 46.6 | Very low | 46.2 | Very low | 90 Ų | 90 | 64 Ų | 64 | 47% | 0.471 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 130.7 | 173.2 | -71.2 | 159.9 | 0 | 0 | 0 | 110.4 | A114 L115 S172 | A114-L146 CarbonylContact C-O 3.56Å; A114-L146 WeakPolarHBondContact CA-O 3.25Å; A114-L146 HydrophobicContact CB-CB 4.15Å; A114-L146 WeakPolarHBondContact CB-O 3.48Å; L115-L146 PolarHBondContact N-O 3.49Å; L146-S172 VanDerWaalsContact CD2-OG 3.32Å; L146-S172 WeakPolarHBondContact CD2-OG 3.4Å |
| 147 | L | 45.3 | Very low | 44.8 | Very low | 20 Ų | 20 | 65.3 Ų | 65.3 | 11% | 0.105 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 104.7 | 168.7 | -172.3 | 64.7 | 0 | 0 | 0 | 109.9 | L115 L117 V132 W145 L171 | L115-L147 HydrophobicContact CB-CD1 3.88Å; L115-L147 WeakPolarHBondContact O-CA 3.48Å; L117-L147 HydrophobicContact CB-CD1 4.03Å; V132-L147 HydrophobicContact CG1-CD2 4.2Å; V132-L147 HydrophobicContact CG2-CD2 4.35Å; W145-L147 HydrophobicContact CE3-CB 4.31Å; W145-L147 HydrophobicContact CZ3-CB 3.91Å; W145-L147 HydrophobicContact CZ3-CD1 4.16Å; W145-L147 HydrophobicContact CZ3-CG 4.44Å; L147-L171 HydrophobicContact CB-CD2 3.93Å; L147-L171 HydrophobicContact CD2-CD2 3.71Å; L147-L171 HydrophobicContact CG-CD2 4.38Å |
| 148 | L | 51.3 | Low | 43.5 | Very low | 28 Ų | 28 | 62.9 Ų | 62.9 | 15% | 0.147 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 130.9 | 178.4 | -65 | 166.3 | 0 | 0 | 0 | 109.5 | A114 L115 L116 L117 C150 L174 | A114-L148 HydrophobicContact CB-CD1 4.5Å; L115-L148 PolarHBondContact O-N 3.08Å; L116-L148 CarbonylContact C-O 3.55Å; L116-L148 WeakPolarHBondContact CA-O 3.29Å; L116-L148 HydrophobicContact CD2-CB 3.66Å; L116-L148 HydrophobicContact CD2-CD1 3.71Å; L116-L148 HydrophobicContact CD2-CG 4.25Å; L117-L148 PolarHBondContact N-O 2.65Å; L148-C150 PolarHBondContact O-N 2.85Å; L148-L174 HydrophobicContact CD2-CB 3.91Å; L148-L174 HydrophobicContact CD2-CD1 4.29Å |
| 149 | N | 48.3 | Very low | 42.4 | Very low | 37 Ų | 37 | 64.9 Ų | 64.9 | 20% | 0.198 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 91.9 | 176.1 | -172.9 | 32.3 | 0 | 0 | 0 | 109.7 | L117 T119 L173 | L117-N149 CarbonylContact O-C 3.4Å; L117-N149 WeakPolarHBondContact O-CA 3.31Å; L117-N149 PolarHBondContact O-OD1 3.14Å; T119-N149 WeakPolarHBondContact CG2-OD1 3.18Å; T119-N149 PolarHBondContact OG1-OD1 2.91Å; N149-L173 HydrophobicContact CB-CD2 4.02Å |
| 150 | C | 52.4 | Low | 41.4 | Very low | 7 Ų | 7 | 68.1 Ų | 68.1 | 5% | 0.047 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 127.1 | 171.7 | -72.3 | 0 | 0 | 0 | 0 | 109.1 | T43 L117 V118 T119 L148 | T43-C150 HydrophobicContact CG2-CB 4.49Å; L117-C150 PolarHBondContact O-N 3.31Å; L117-C150 VanDerWaalsContact O-O 3.12Å; V118-C150 CarbonylContact C-O 3.48Å; V118-C150 WeakPolarHBondContact CA-O 3.26Å; V118-C150 HydrophobicContact CG2-CB 4.43Å; T119-C150 PolarHBondContact N-O 3.25Å; L148-C150 PolarHBondContact O-N 2.85Å |
| 151 | V | 49.4 | Very low | 40.3 | Very low | 33 Ų | 33 | 72.4 Ų | 72.4 | 20% | 0.2 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 106.5 | 179.8 | -162.7 | 0 | 0 | 0 | 0 | 109 | T119 Q120 L121 S153 | T119-V151 WeakPolarHBondContact O-CA 3.3Å; Q120-V151 VanDerWaalsContact C-CG1 3.49Å; L121-V151 HydrophobicContact CB-CG1 4.18Å; L121-V151 HydrophobicContact CD2-CG1 3.8Å; L121-V151 HydrophobicContact CG-CG1 3.67Å; V151-S153 PolarHBondContact O-N 2.85Å |
| 152 | C | 44.4 | Very low | 39.5 | Very low | 29 Ų | 29 | 75.3 Ų | 75.3 | 20% | 0.196 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 123.6 | -179.9 | -169.4 | 0 | 0 | 0 | 0 | 109.6 | V118 T119 | V118-C152 HydrophobicContact CG1-CB 4.11Å; T119-C152 PolarHBondContact O-N 3.31Å |
| 153 | S | 41.8 | Very low | 38.5 | Very low | 34 Ų | 34 | 76 Ų | 76 | 24% | 0.238 | 46% | 0.456 | C | S | . | . | trans | -139.3 | 128.1 | 178.4 | 57.3 | 0 | 0 | 0 | 0 | 110.7 | V151 S155 | V151-S153 PolarHBondContact O-N 2.85Å; S153-S155 VanDerWaalsContact C-N 3.34Å | ||
| 154 | T | 37.7 | Very low | 37.7 | Very low | 96 Ų | 96 | 76.4 Ų | 76.4 | 59% | 0.589 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -83.9 | -9 | 171.9 | 34.9 | 0 | 0 | 0 | 0 | 113 | D359 | T154-D359 WeakPolarHBondContact CB-OD1 3.27Å; T154-D359 WeakPolarHBondContact CG2-OD1 3.44Å; T154-D359 PolarHBondContact OG1-OD1 2.69Å |
| 155 | S | 34.9 | Very low | 36.9 | Very low | 53 Ų | 53 | 79.7 Ų | 79.7 | 37% | 0.371 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -99.7 | 139.5 | -179.3 | 55.6 | 0 | 0 | 0 | 0 | 113.9 | S153 | S153-S155 VanDerWaalsContact C-N 3.34Š|
| 156 | L | 29.1 | Very low | 35.6 | Very low | 134 Ų | 134 | 89.2 Ų | 89.2 | 70% | 0.702 | 51% | 0.509 | S | S | * | . | trans | -86.8 | 101.8 | 175.8 | -75.9 | 161.3 | 0 | 0 | 0 | 110.7 | P179 | L156-P179 HydrophobicContact CD2-CB 4.31Š| ||
| 157 | S | 27 | Very low | 34.6 | Very low | 83 Ų | 83 | 95.6 Ų | 95.6 | 58% | 0.58 | 53% | 0.527 | S | S | * | . | trans | -164.9 | 141.4 | 163.8 | -83.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 158 | P | 26.4 | Very low | 33.6 | Very low | 112 Ų | 112 | 105.9 Ų | 105.9 | 73% | 0.727 | 56% | 0.564 | S | S | * | * | trans | -76.3 | 127.8 | 179.1 | 30.7 | -34 | 0 | 0 | 0 | 112 | N160 | P158-N160 PolarHBondContact O-N 3.44Š| ||
| 159 | V | 29.8 | Very low | 32.3 | Very low | 78 Ų | 78 | 108.9 Ų | 108.9 | 47% | 0.473 | 59% | 0.593 | S | S | . | * | trans | -92.6 | 94 | 179.5 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | L121 | L121-V159 HydrophobicContact CD2-CG2 4.13Š| ||
| 160 | N | 26.3 | Very low | 31.3 | Very low | 150 Ų | 150 | 111.3 Ų | 111.3 | 80% | 0.802 | 63% | 0.626 | S | S | * | * | trans | -76.3 | 126.1 | 168.8 | -85.5 | -24.1 | 0 | 0 | 0 | 111.3 | P158 | P158-N160 PolarHBondContact O-N 3.44Š| ||
| 161 | S | 27.7 | Very low | 30.1 | Very low | 116 Ų | 116 | 116.2 Ų | 116.2 | 81% | 0.811 | 65% | 0.652 | S | S | * | * | trans | 68.9 | 119.9 | 174.1 | 75.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 162 | I | 27.9 | Very low | 29.1 | Very low | 134 Ų | 134 | 116.9 Ų | 116.9 | 69% | 0.687 | 66% | 0.658 | S | S | * | * | trans | -126.7 | 136.6 | 157.9 | -64 | 177.5 | 0 | 0 | 0 | 106.6 | A164 | I162-A164 PolarHBondContact O-N 3.34Š| ||
| 163 | P | 24.8 | Very low | 28.4 | Very low | 109 Ų | 109 | 122 Ų | 122 | 71% | 0.708 | 68% | 0.683 | S | S | * | * | trans | -67.2 | 131.6 | -174.5 | -21.6 | 33.6 | 0 | 0 | 0 | 113.8 | H165 | P163-H165 PolarHBondContact O-N 2.78Å; P163-H165 VanDerWaalsContact O-N 3.13Å | ||
| 164 | A | 26.8 | Very low | 27.9 | Very low | 108 Ų | 108 | 124.3 Ų | 124.3 | 89% | 0.893 | 69% | 0.692 | S | S | * | * | trans | -75.6 | 97.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I162 | I162-A164 PolarHBondContact O-N 3.34Š| ||
| 165 | H | 25.8 | Very low | 27.5 | Very low | 177 Ų | 177 | 124.8 Ų | 124.8 | 82% | 0.819 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -78 | 154.7 | 169.7 | -94.8 | -94.1 | 0 | 0 | 0 | 112.7 | P163 | P163-H165 PolarHBondContact O-N 2.78Å; P163-H165 VanDerWaalsContact O-N 3.13Å |
| 166 | R | 24.4 | Very low | 27.4 | Very low | 246 Ų | 246 | 125.3 Ų | 125.3 | 93% | 0.928 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 137.4 | -161.6 | -68.2 | -179.9 | 176.3 | 175.2 | -2 | 114.6 | R168 | R166-R168 PolarHBondContact O-N 3.06Š|
| 167 | R | 25.3 | Very low | 27.5 | Very low | 223 Ų | 223 | 123.2 Ų | 123.2 | 84% | 0.842 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 121.3 | 166.5 | -55.2 | -178.3 | -165.7 | 164 | 7.6 | 111 | ||
| 168 | R | 24.1 | Very low | 27.8 | Very low | 237 Ų | 237 | 123 Ų | 123 | 89% | 0.894 | 67% | 0.673 | S | S | * | * | trans | -146.9 | 138.8 | 144.8 | -91.2 | -169.9 | 175.7 | -175.9 | -3.1 | 107.4 | R166 | R166-R168 PolarHBondContact O-N 3.06Š| ||
| 169 | A | 25.2 | Very low | 27.8 | Very low | 91 Ų | 91 | 121.8 Ų | 121.8 | 75% | 0.752 | 67% | 0.665 | S | S | * | * | S | Bend | trans | 56 | 100.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | L171 | A169-L171 PolarHBondContact O-N 3.02Š|
| 170 | G | 25.4 | Very low | 27.8 | Very low | 87 Ų | 87 | 124.9 Ų | 124.9 | 90% | 0.897 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 64.9 | -29.3 | 151 | 0 | 0 | 0 | 0 | 0 | 121.2 | S172 | G170-S172 PolarHBondContact O-N 3.02Š|
| 171 | L | 28.3 | Very low | 28.1 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 58% | 0.581 | 68% | 0.678 | S | S | * | * | trans | -75.3 | 118 | -163.2 | -69.6 | 163 | 0 | 0 | 0 | 113.2 | L147 A169 | L147-L171 HydrophobicContact CB-CD2 3.93Å; L147-L171 HydrophobicContact CD2-CD2 3.71Å; L147-L171 HydrophobicContact CG-CD2 4.38Å; A169-L171 PolarHBondContact O-N 3.02Å | ||
| 172 | S | 28.6 | Very low | 28.3 | Very low | 46 Ų | 46 | 125.3 Ų | 125.3 | 32% | 0.322 | 66% | 0.661 | S | S | . | * | trans | -108.2 | 101 | 173 | 40.6 | 0 | 0 | 0 | 0 | 110.6 | L146 G170 L174 | L146-S172 VanDerWaalsContact CD2-OG 3.32Å; L146-S172 WeakPolarHBondContact CD2-OG 3.4Å; G170-S172 PolarHBondContact O-N 3.02Å; S172-L174 PolarHBondContact O-N 2.73Å | ||
| 173 | L | 29.8 | Very low | 28.3 | Very low | 137 Ų | 137 | 125.2 Ų | 125.2 | 72% | 0.717 | 67% | 0.67 | S | S | * | * | trans | -81.9 | 104.1 | 177.2 | -70.4 | 166.6 | 0 | 0 | 0 | 110.4 | N149 | N149-L173 HydrophobicContact CB-CD2 4.02Š| ||
| 174 | L | 30.6 | Very low | 28.4 | Very low | 82 Ų | 82 | 124 Ų | 124 | 43% | 0.429 | 67% | 0.668 | S | S | . | * | trans | -114.1 | 125.8 | 167.4 | -69.8 | 168.7 | 0 | 0 | 0 | 109.6 | L148 S172 | L148-L174 HydrophobicContact CD2-CB 3.91Å; L148-L174 HydrophobicContact CD2-CD1 4.29Å; S172-L174 PolarHBondContact O-N 2.73Å | ||
| 175 | P | 29.3 | Very low | 28.7 | Very low | 106 Ų | 106 | 122 Ų | 122 | 69% | 0.688 | 65% | 0.652 | S | S | * | * | trans | -80.4 | 129 | 173.6 | 31.8 | -31.8 | 0 | 0 | 0 | 110.8 | ||||
| 176 | L | 32.5 | Very low | 28.9 | Very low | 64 Ų | 64 | 122.2 Ų | 122.2 | 34% | 0.335 | 65% | 0.646 | S | S | . | * | trans | -99.5 | 130 | 167.5 | -85.5 | 160.3 | 0 | 0 | 0 | 109.5 | ||||
| 177 | H | 32.2 | Very low | 29.1 | Very low | 90 Ų | 90 | 113.7 Ų | 113.7 | 42% | 0.417 | 63% | 0.628 | S | S | . | * | trans | -118.4 | 126.7 | 177 | -165.8 | 67.4 | 0 | 0 | 0 | 108.9 | ||||
| 178 | L | 32.6 | Very low | 29.3 | Very low | 79 Ų | 79 | 106.5 Ų | 106.5 | 41% | 0.414 | 61% | 0.612 | S | S | . | * | trans | -122.8 | 100.4 | -174.1 | -72.5 | 168.6 | 0 | 0 | 0 | 109.4 | ||||
| 179 | P | 26.6 | Very low | 29.7 | Very low | 87 Ų | 87 | 98 Ų | 98 | 57% | 0.565 | 59% | 0.586 | S | S | * | * | trans | -75.9 | 150.7 | 177.3 | 31.2 | -34.4 | 0 | 0 | 0 | 111.9 | L156 | L156-P179 HydrophobicContact CD2-CB 4.31Š| ||
| 180 | E | 30.6 | Very low | 29.8 | Very low | 143 Ų | 143 | 98.4 Ų | 98.4 | 67% | 0.668 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -65.1 | 136.9 | 168.4 | -90.3 | -107.1 | 146.8 | 0 | 0 | 111.1 | ||
| 181 | R | 32.4 | Very low | 30 | Very low | 229 Ų | 229 | 98 Ų | 98 | 86% | 0.864 | 57% | 0.567 | S | S | * | * | S | Bend | trans | 55.2 | 96.4 | 160.4 | -55.2 | 178.1 | -165.5 | -150.2 | 1.4 | 117.7 | ||
| 182 | G | 30.1 | Very low | 30.2 | Very low | 45 Ų | 45 | 96.2 Ų | 96.2 | 46% | 0.464 | 56% | 0.561 | S | S | . | * | trans | 170.8 | 157.9 | 155.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | A184 A185 | G182-A184 PolarHBondContact O-N 2.91Å; G182-A185 PolarHBondContact O-N 3.27Å | ||
| 183 | P | 27.8 | Very low | 30.4 | Very low | 133 Ų | 133 | 101.5 Ų | 101.5 | 86% | 0.864 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -64.9 | -15.2 | 175.7 | 27.3 | -34.6 | 0 | 0 | 0 | 113.4 | A185 R186 | P183-A185 PolarHBondContact O-N 3.15Å; P183-A185 VanDerWaalsContact O-N 3.11Å; P183-R186 PolarHBondContact O-N 3.34Å |
| 184 | A | 28.6 | Very low | 30.3 | Very low | 82 Ų | 82 | 103.6 Ų | 103.6 | 68% | 0.678 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -59 | -17.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | G182 R186 A187 | G182-A184 PolarHBondContact O-N 2.91Å; A184-R186 PolarHBondContact O-N 3.19Å; A184-A187 PolarHBondContact O-N 2.83Å |
| 185 | A | 32.4 | Very low | 30.2 | Very low | 68 Ų | 68 | 107.4 Ų | 107.4 | 56% | 0.562 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -53.7 | -23.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G182 P183 A187 | G182-A185 PolarHBondContact O-N 3.27Å; P183-A185 PolarHBondContact O-N 3.15Å; P183-A185 VanDerWaalsContact O-N 3.11Å; A185-A187 VanDerWaalsContact C-N 3.3Å; A185-A187 PolarHBondContact O-N 3.01Å |
| 186 | R | 29.8 | Very low | 30.1 | Very low | 181 Ų | 181 | 112.7 Ų | 112.7 | 68% | 0.683 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -71.4 | -16.1 | -177.6 | -150.4 | 175 | -169.8 | 168.6 | 3.3 | 114.8 | D74 P183 A184 | D74-R186 IonicContact OD1-CZ 3.65Å; D74-R186 IonicContact OD1-NE 3.7Å; D74-R186 IonicContact OD1-NH2 2.8Å; D74-R186 PolarHBondContact OD1-NH2 3.36Å; D74-R186 IonicContact OD2-NE 3.41Å; D74-R186 IonicContact OD2-NH2 3.52Å; P183-R186 PolarHBondContact O-N 3.34Å; A184-R186 PolarHBondContact O-N 3.19Å |
| 187 | A | 27.8 | Very low | 29.7 | Very low | 67 Ų | 67 | 113.7 Ų | 113.7 | 55% | 0.554 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -28.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | A184 A185 T190 | A184-A187 PolarHBondContact O-N 2.83Å; A185-A187 VanDerWaalsContact C-N 3.3Å; A185-A187 PolarHBondContact O-N 3.01Å; A187-T190 PolarHBondContact O-OG1 2.99Å |
| 188 | S | 31.3 | Very low | 29.2 | Very low | 71 Ų | 71 | 117 Ų | 117 | 50% | 0.497 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82 | -15.7 | -169.3 | -168.7 | 0 | 0 | 0 | 0 | 114.8 | T192 | S188-T192 PolarHBondContact O-OG1 3.19Š|
| 189 | V | 30.7 | Very low | 28.8 | Very low | 58 Ų | 58 | 121.8 Ų | 121.8 | 35% | 0.352 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.8 | -25.5 | -173.1 | -178.4 | 0 | 0 | 0 | 0 | 112.2 | W73 | W73-V189 HydrophobicContact CE3-CG1 4.22Å; W73-V189 HydrophobicContact CH2-CG1 3.85Å; W73-V189 HydrophobicContact CZ3-CG1 3.49Å; W73-V189 VanDerWaalsContact CZ3-CG1 3.49Å |
| 190 | T | 27.4 | Very low | 28.8 | Very low | 101 Ų | 101 | 123 Ų | 123 | 62% | 0.62 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -31.7 | 179.5 | 43.7 | 0 | 0 | 0 | 0 | 113.1 | A187 T192 | A187-T190 PolarHBondContact O-OG1 2.99Å; T190-T192 PolarHBondContact O-N 3.19Å; T190-T192 VanDerWaalsContact O-N 3.16Å |
| 191 | A | 30 | Very low | 28.4 | Very low | 77 Ų | 77 | 123.9 Ų | 123.9 | 64% | 0.636 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -5.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 192 | T | 33 | Very low | 27.9 | Very low | 75 Ų | 75 | 121 Ų | 121 | 46% | 0.46 | 68% | 0.683 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.9 | 10.2 | -171.1 | -10.6 | 0 | 0 | 0 | 0 | 114.9 | S188 T190 | S188-T192 PolarHBondContact O-OG1 3.19Å; T190-T192 PolarHBondContact O-N 3.19Å; T190-T192 VanDerWaalsContact O-N 3.16Å |
| 193 | L | 32.3 | Very low | 27.6 | Very low | 157 Ų | 157 | 126.1 Ų | 126.1 | 82% | 0.822 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -117.3 | -7.1 | -175.8 | -78.6 | 174 | 0 | 0 | 0 | 115.4 | ||
| 194 | E | 29 | Very low | 27.4 | Very low | 181 Ų | 181 | 131.5 Ų | 131.5 | 85% | 0.846 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -129.4 | 145.5 | -177.8 | -67.5 | -173.9 | 149.4 | 0 | 0 | 113.5 | ||
| 195 | D | 27 | Very low | 27.1 | Very low | 161 Ų | 161 | 136.6 Ų | 136.6 | 86% | 0.861 | 71% | 0.709 | S | S | * | * | trans | 72.1 | 149 | 171.6 | -149.2 | 12.5 | 0 | 0 | 0 | 120.8 | ||||
| 196 | R | 26.9 | Very low | 26.7 | Very low | 217 Ų | 217 | 137.2 Ų | 137.2 | 82% | 0.819 | 72% | 0.722 | S | S | * | * | trans | -169.5 | 93.7 | -171 | -170.2 | -161.1 | -153.2 | 170.9 | 16.2 | 113 | ||||
| 197 | A | 24.1 | Very low | 26.4 | Very low | 86 Ų | 86 | 132 Ų | 132 | 71% | 0.711 | 73% | 0.725 | S | S | * | * | trans | -131.4 | 171.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 198 | Q | 23.1 | Very low | 26.1 | Very low | 160 Ų | 160 | 138.2 Ų | 138.2 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | trans | -80.7 | 143.1 | -158 | -65.6 | 95.9 | -70.5 | 0 | 0 | 119.3 | ||||
| 199 | Q | 23.2 | Very low | 25.8 | Very low | 179 Ų | 179 | 142.8 Ų | 142.8 | 84% | 0.836 | 75% | 0.753 | S | S | * | * | trans | 57 | 172.5 | 130.3 | -71.8 | -177.7 | -21.2 | 0 | 0 | 121.9 | ||||
| 200 | P | 28 | Very low | 25.6 | Very low | 112 Ų | 112 | 151.3 Ų | 151.3 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | cis | -130.8 | 165.9 | -19.4 | 23.1 | -0.4 | 0 | 0 | 0 | 116.7 | ||||
| 201 | F | 20.6 | Very low | 25.5 | Very low | 162 Ų | 162 | 150 Ų | 150 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | 8.8 | 133.6 | 140.6 | -161.5 | -94.7 | 0 | 0 | 0 | 122.3 | E203 | F201-E203 HydrophobicContact CE1-CG 4.02Å; F201-E203 HydrophobicContact CE2-CG 4.26Å; F201-E203 HydrophobicContact CZ-CG 3.59Å | ||
| 202 | L | 22.7 | Very low | 25.3 | Very low | 169 Ų | 169 | 156 Ų | 156 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | trans | -158.6 | 135.6 | 142.5 | -119.9 | 172.2 | 0 | 0 | 0 | 111.9 | ||||
| 203 | E | 23.5 | Very low | 24.8 | Very low | 151 Ų | 151 | 163.3 Ų | 163.3 | 71% | 0.706 | 82% | 0.818 | S | S | * | * | trans | -95.2 | 154.6 | 173.9 | -68.6 | -179.9 | 144.7 | 0 | 0 | 112.5 | F201 | F201-E203 HydrophobicContact CE1-CG 4.02Å; F201-E203 HydrophobicContact CE2-CG 4.26Å; F201-E203 HydrophobicContact CZ-CG 3.59Å | ||
| 204 | R | 24.1 | Very low | 24.6 | Very low | 246 Ų | 246 | 159.6 Ų | 159.6 | 93% | 0.928 | 82% | 0.818 | S | S | * | * | trans | -153.3 | 131 | 147.3 | -173.2 | 159.2 | -79.1 | -165.3 | -5.6 | 111.9 | ||||
| 205 | M | 21.7 | Very low | 24.4 | Very low | 190 Ų | 190 | 157 Ų | 157 | 94% | 0.936 | 82% | 0.815 | S | S | * | * | trans | -87 | 154.5 | 171.6 | -75.7 | -152.9 | -64 | 0 | 0 | 112.9 | ||||
| 206 | G | 25.2 | Very low | 24.4 | Very low | 80 Ų | 80 | 157.4 Ų | 157.4 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | 160 | 131.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 207 | G | 21.8 | Very low | 24.5 | Very low | 73 Ų | 73 | 151.9 Ų | 151.9 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | cis | 142.7 | 124 | -7.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 208 | F | 22 | Very low | 24.7 | Very low | 197 Ų | 197 | 157.2 Ų | 157.2 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | trans | 67.1 | 155.9 | 177.1 | -119.6 | -160.2 | 0 | 0 | 0 | 114.2 | ||||
| 209 | Q | 25.6 | Very low | 25 | Very low | 166 Ų | 166 | 153.4 Ų | 153.4 | 78% | 0.776 | 83% | 0.828 | S | S | * | * | cis | -127 | 176.3 | 3.2 | -90.9 | -166.5 | 11.7 | 0 | 0 | 113.2 | ||||
| 210 | R | 25.5 | Very low | 25.4 | Very low | 237 Ų | 237 | 156.6 Ų | 156.6 | 89% | 0.894 | 83% | 0.833 | S | S | * | * | trans | -137.6 | 110.4 | -177.9 | 174.3 | -172.6 | -179.6 | -173.3 | 1.8 | 110.6 | ||||
| 211 | G | 25.7 | Very low | 25.7 | Very low | 74 Ų | 74 | 156 Ų | 156 | 76% | 0.763 | 83% | 0.831 | S | S | * | * | trans | -109.4 | 122.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 212 | K | 25.5 | Very low | 26.3 | Very low | 202 Ų | 202 | 156.9 Ų | 156.9 | 88% | 0.878 | 84% | 0.837 | S | S | * | * | 83.9 | 134.1 | 56 | -83.4 | -165 | 168.8 | -175.7 | 0 | 113.2 | |||||
| 213 | Y | 24.1 | Very low | 27 | Very low | 229 Ų | 229 | 155 Ų | 155 | 90% | 0.898 | 83% | 0.828 | S | S | * | * | trans | -81.1 | 156.3 | -169.5 | -61.1 | -98.2 | 0 | 0 | 0 | 112.8 | ||||
| 214 | G | 27 | Very low | 27.5 | Very low | 80 Ų | 80 | 155.3 Ų | 155.3 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | trans | -132.1 | 148.8 | 157.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 215 | T | 25.5 | Very low | 28.6 | Very low | 125 Ų | 125 | 150.3 Ų | 150.3 | 77% | 0.767 | 83% | 0.826 | S | S | * | * | trans | -136.3 | 133.6 | -162.7 | -59.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 216 | M | 27.3 | Very low | 29.7 | Very low | 171 Ų | 171 | 146.2 Ų | 146.2 | 84% | 0.842 | 82% | 0.816 | S | S | * | * | trans | 45.3 | 129.1 | 162 | -63.4 | -62.2 | -147 | 0 | 0 | 120.5 | ||||
| 217 | A | 28 | Very low | 31 | Very low | 101 Ų | 101 | 146.4 Ų | 146.4 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | -145.5 | 128.1 | 139.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 218 | E | 28.9 | Very low | 32.7 | Very low | 197 Ų | 197 | 148.4 Ų | 148.4 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | -90.2 | 147.2 | 171.4 | -70.1 | -176 | 112.4 | 0 | 0 | 110.7 | ||||
| 219 | G | 28.8 | Very low | 34.9 | Very low | 80 Ų | 80 | 142.2 Ų | 142.2 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -152.3 | 133.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 220 | R | 32.7 | Very low | 37.5 | Very low | 246 Ų | 246 | 138.7 Ų | 138.7 | 93% | 0.928 | 78% | 0.779 | S | S | * | * | trans | -131.9 | 150.5 | -172.9 | 178.7 | 177.8 | 174.4 | -178 | -1.8 | 110.3 | ||||
| 221 | S | 32.9 | Very low | 40.5 | Very low | 99 Ų | 99 | 128.8 Ų | 128.8 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | trans | 91.6 | 137.3 | -171.1 | 72.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 222 | E | 34.6 | Very low | 43.8 | Very low | 181 Ų | 181 | 125.4 Ų | 125.4 | 85% | 0.846 | 71% | 0.712 | S | S | * | * | cis | -152.1 | 173.5 | -9.7 | -128.7 | 153.3 | -137.7 | 0 | 0 | 111.6 | ||||
| 223 | D | 37.4 | Very low | 47.2 | Very low | 129 Ų | 129 | 117 Ų | 117 | 69% | 0.69 | 68% | 0.675 | S | S | * | * | trans | -68.9 | 134.2 | -160.7 | -73.4 | -64.7 | 0 | 0 | 0 | 116.2 | L225 | D223-L225 HydrophobicContact CB-CD1 3.83Å; D223-L225 VanDerWaalsContact OD1-CD1 3.28Å; D223-L225 WeakPolarHBondContact OD1-CD1 3.46Å | ||
| 224 | N | 34.2 | Very low | 50.7 | Low | 159 Ų | 159 | 106.1 Ų | 106.1 | 85% | 0.85 | 63% | 0.632 | S | S | * | * | trans | -143.5 | 95.4 | 149.3 | -97.5 | -78.5 | 0 | 0 | 0 | 108.2 | S226 | N224-S226 VanDerWaalsContact C-N 3.3Å; N224-S226 PolarHBondContact O-N 2.86Å | ||
| 225 | L | 47.2 | Very low | 54.1 | Low | 140 Ų | 140 | 102.3 Ų | 102.3 | 73% | 0.733 | 59% | 0.593 | S | S | * | * | trans | -74.8 | 75.3 | -175.3 | -83.5 | 75.2 | 0 | 0 | 0 | 112.4 | D223 A227 | D223-L225 HydrophobicContact CB-CD1 3.83Å; D223-L225 VanDerWaalsContact OD1-CD1 3.28Å; D223-L225 WeakPolarHBondContact OD1-CD1 3.46Å; L225-A227 PolarHBondContact O-N 3.46Å | ||
| 226 | S | 44.8 | Very low | 57.5 | Low | 104 Ų | 104 | 96.4 Ų | 96.4 | 73% | 0.727 | 56% | 0.557 | S | S | * | * | trans | -69.5 | 88 | 145.8 | 62.3 | 0 | 0 | 0 | 0 | 107.3 | N224 T228 | N224-S226 VanDerWaalsContact C-N 3.3Å; N224-S226 PolarHBondContact O-N 2.86Å; S226-T228 PolarHBondContact O-N 2.84Å | ||
| 227 | A | 51.7 | Low | 60.8 | Low | 85 Ų | 85 | 88.2 Ų | 88.2 | 70% | 0.702 | 52% | 0.516 | S | S | * | . | trans | -58 | 101.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L225 P229 | L225-A227 PolarHBondContact O-N 3.46Å; A227-P229 VanDerWaalsContact O-N 3.15Å | ||
| 228 | T | 58 | Low | 63.8 | Low | 114 Ų | 114 | 83.5 Ų | 83.5 | 70% | 0.699 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 119.4 | -175 | -56.4 | 0 | 0 | 0 | 0 | 109.9 | S226 | S226-T228 PolarHBondContact O-N 2.84Š|
| 229 | P | 66.8 | Low | 66.6 | Low | 68 Ų | 68 | 74.8 Ų | 74.8 | 44% | 0.442 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 134.4 | -168.4 | 20.4 | -32.2 | 0 | 0 | 0 | 111 | A227 A231 R280 | A227-P229 VanDerWaalsContact O-N 3.15Å; P229-A231 PolarHBondContact O-N 3.46Å; P229-R280 HydrophobicContact CB-CG 4.42Å; P229-R280 HydrophobicContact CG-CB 4.29Å; P229-R280 HydrophobicContact CG-CG 4.15Å |
| 230 | P | 80.2 | Confident | 69.2 | Low | 91 Ų | 91 | 73.1 Ų | 73.1 | 59% | 0.591 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 135.2 | -168.8 | 19.8 | -32.2 | 0 | 0 | 0 | 111.5 | L232 R280 | P230-L232 PolarHBondContact O-N 2.83Å; P230-R280 PolarHBondContact O-NE 3.33Å; P230-R280 PolarHBondContact O-NH2 3.17Å |
| 231 | A | 89.8 | Confident | 71.3 | Confident | 30 Ų | 30 | 63.4 Ų | 63.4 | 25% | 0.248 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 125.1 | -170 | 0 | 0 | 0 | 0 | 0 | 111.4 | P229 R233 K281 H316 | P229-A231 PolarHBondContact O-N 3.46Å; A231-R233 PolarHBondContact O-N 3.14Å; A231-K281 CarbonylContact C-O 3.56Å; A231-K281 VanDerWaalsContact CA-O 3.26Å; A231-K281 WeakPolarHBondContact CA-O 3.47Å; A231-K281 HydrophobicContact CB-CB 3.96Å; A231-K281 HydrophobicContact CB-CD 4.17Å; A231-K281 HydrophobicContact CB-CG 4.03Å; A231-H316 PolarHBondContact O-CE1 2.97Å |
| 232 | L | 94.4 | Very high | 73.7 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.016 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 130.1 | 176.7 | -179.2 | 66.6 | 0 | 0 | 0 | 108.8 | P230 I234 W277 K281 V282 L283 H316 V317 I411 | P230-L232 PolarHBondContact O-N 2.83Å; L232-I234 HydrophobicContact CD2-CD1 4.06Å; L232-I234 HydrophobicContact CD2-CG1 4.33Å; L232-I234 HydrophobicContact CG-CD1 4.42Å; L232-I234 HydrophobicContact CG-CG1 4.14Å; L232-W277 HydrophobicContact CD2-CE3 3.94Å; L232-W277 HydrophobicContact CD2-CZ3 3.8Å; L232-K281 PolarHBondContact N-O 2.67Å; L232-V282 HydrophobicContact CB-CG2 4.35Å; L232-V282 HydrophobicContact CD2-CG1 4.29Å; L232-V282 HydrophobicContact CD2-CG2 4.3Å; L232-V282 CarbonylContact O-C 3.58Å; L232-L283 PolarHBondContact O-N 3.1Å; L232-H316 HydrophobicContact CD1-CB 3.74Å; L232-V317 HydrophobicContact CD1-CG2 4.36Å; L232-I411 HydrophobicContact CD1-CG2 3.77Å; L232-I411 HydrophobicContact CD2-CD1 4.43Å; L232-I411 HydrophobicContact CD2-CG2 4.09Å |
| 233 | R | 96.9 | Very high | 76.3 | Confident | 25 Ų | 25 | 51.1 Ų | 51.1 | 9% | 0.094 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 117.5 | -178.5 | -63.5 | -178.3 | -61.1 | -83.4 | -0.7 | 109.8 | A231 L283 S311 G314 H316 V317 F422 | A231-R233 PolarHBondContact O-N 3.14Å; R233-L283 WeakPolarHBondContact CA-O 3.31Å; R233-L283 HydrophobicContact CB-CD2 4.45Å; R233-L283 HydrophobicContact CG-CB 4.34Å; R233-L283 HydrophobicContact CG-CD2 4.27Å; R233-S311 WeakPolarHBondContact CD-O 3.47Å; R233-S311 PolarHBondContact NE-O 3.16Å; R233-G314 PolarHBondContact NE-O 2.99Å; R233-G314 PolarHBondContact NH2-O 3.33Å; R233-H316 PolarHBondContact N-ND1 3.13Å; R233-H316 VanDerWaalsContact N-ND1 3.13Å; R233-H316 PolarHBondContact NH1-CE1 2.94Å; R233-H316 PolarHBondContact O-N 3.14Å; R233-V317 PolarHBondContact O-N 2.99Å; R233-F422 VanDerWaalsContact NH2-CD1 3.28Å |
| 234 | I | 97.9 | Very high | 78.9 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 126 | -177.4 | -51.6 | 178.5 | 0 | 0 | 0 | 108.5 | L232 L236 I251 W277 V282 L283 V284 V285 V317 L319 I411 | L232-I234 HydrophobicContact CD2-CD1 4.06Å; L232-I234 HydrophobicContact CD2-CG1 4.33Å; L232-I234 HydrophobicContact CG-CD1 4.42Å; L232-I234 HydrophobicContact CG-CG1 4.14Å; I234-L236 HydrophobicContact CG2-CD2 4.16Å; I234-I251 HydrophobicContact CD1-CG2 4.44Å; I234-W277 HydrophobicContact CD1-CH2 4.31Å; I234-W277 HydrophobicContact CD1-CZ3 4.46Å; I234-V282 HydrophobicContact CD1-CG1 4.09Å; I234-L283 PolarHBondContact N-O 2.86Å; I234-V284 CarbonylContact O-C 3.6Å; I234-V284 WeakPolarHBondContact O-CA 3.49Å; I234-V285 PolarHBondContact O-N 2.93Å; I234-V317 WeakPolarHBondContact CA-O 3.18Å; I234-V317 HydrophobicContact CG1-CB 4.3Å; I234-V317 HydrophobicContact CG2-CB 4.36Å; I234-V317 HydrophobicContact CG2-CG1 4.45Å; I234-L319 HydrophobicContact CG2-CB 3.8Å; I234-L319 HydrophobicContact CG2-CD2 4.07Å; I234-I411 HydrophobicContact CD1-CD1 4.06Å |
| 235 | I | 98.1 | Very high | 81.6 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 129.8 | 168.1 | -57.2 | 170.2 | 0 | 0 | 0 | 108.1 | V237 V285 T287 S311 P315 V317 L319 F342 | I235-V237 HydrophobicContact CB-CG1 4.39Å; I235-V237 HydrophobicContact CG2-CG1 3.76Å; I235-V285 HydrophobicContact CG1-CB 4.34Å; I235-T287 HydrophobicContact CG2-CG2 3.72Å; I235-S311 WeakPolarHBondContact CD1-OG 3.44Å; I235-P315 HydrophobicContact CD1-CB 3.72Å; I235-P315 HydrophobicContact CD1-CG 3.72Å; I235-P315 HydrophobicContact CG1-CB 3.93Å; I235-P315 HydrophobicContact CG1-CG 4.47Å; I235-V317 PolarHBondContact N-O 3.32Å; I235-L319 PolarHBondContact O-N 3.3Å; I235-F342 HydrophobicContact CD1-CE1 4.01Å; I235-F342 HydrophobicContact CD1-CZ 3.8Å |
| 236 | L | 97.8 | Very high | 83.7 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 117.9 | 174.6 | -51.4 | -178.2 | 0 | 0 | 0 | 109 | I234 K244 I251 V284 V285 D286 T287 L319 | I234-L236 HydrophobicContact CG2-CD2 4.16Å; L236-K244 HydrophobicContact CB-CB 4.13Å; L236-K244 HydrophobicContact CB-CD 4.14Å; L236-K244 HydrophobicContact CB-CG 4.43Å; L236-K244 HydrophobicContact CD1-CB 4.4Å; L236-K244 VanDerWaalsContact CD1-O 3.3Å; L236-K244 WeakPolarHBondContact CD1-O 3.46Å; L236-K244 WeakPolarHBondContact O-CD 3.29Å; L236-I251 HydrophobicContact CD2-CD1 4.07Å; L236-V284 HydrophobicContact CD1-CG1 3.73Å; L236-V284 HydrophobicContact CD2-CG1 4Å; L236-V284 HydrophobicContact CG-CG1 3.76Å; L236-V285 PolarHBondContact N-O 2.9Å; L236-D286 HydrophobicContact CD1-CB 4.28Å; L236-T287 WeakPolarHBondContact O-CG2 3.49Å; L236-T287 PolarHBondContact O-OG1 3.26Å; L236-L319 HydrophobicContact CD2-CB 4.12Å; L236-L319 HydrophobicContact CD2-CD2 3.88Å; L236-L319 HydrophobicContact CD2-CG 4.48Å |
| 237 | V | 95.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 156 | -176.4 | -51.6 | 0 | 0 | 0 | 0 | 111.2 | I235 F291 L319 L320 V321 V338 F342 | I235-V237 HydrophobicContact CB-CG1 4.39Å; I235-V237 HydrophobicContact CG2-CG1 3.76Å; V237-F291 HydrophobicContact CB-CD2 3.89Å; V237-F291 HydrophobicContact CB-CE1 4.33Å; V237-F291 HydrophobicContact CB-CE2 3.53Å; V237-F291 HydrophobicContact CB-CG 4.42Å; V237-F291 HydrophobicContact CB-CZ 3.8Å; V237-F291 HydrophobicContact CG1-CD2 4.35Å; V237-F291 HydrophobicContact CG1-CE1 4.21Å; V237-F291 HydrophobicContact CG1-CE2 3.49Å; V237-F291 VanDerWaalsContact CG1-CE2 3.49Å; V237-F291 HydrophobicContact CG1-CZ 3.42Å; V237-F291 VanDerWaalsContact CG1-CZ 3.42Å; V237-L319 PolarHBondContact N-O 3.17Å; V237-L320 HydrophobicContact CG2-CB 3.92Å; V237-L320 HydrophobicContact CG2-CD1 3.96Å; V237-V321 PolarHBondContact O-N 2.98Å; V237-V338 HydrophobicContact CB-CG2 3.89Å; V237-V338 HydrophobicContact CG1-CG2 4.37Å; V237-V338 HydrophobicContact CG2-CG2 3.72Å; V237-F342 HydrophobicContact CG1-CE2 4.49Å |
| 238 | G | 91.6 | Very high | 88.2 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 128.9 | 166.4 | -175 | 0 | 0 | 0 | 0 | 0 | 114.2 | K244 | G238-K244 PolarHBondContact O-NZ 2.99Š|
| 239 | K | 86.8 | Confident | 89.9 | Confident | 15 Ų | 15 | 19.5 Ų | 19.5 | 7% | 0.065 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -63.4 | 168.9 | -176.1 | 67.4 | -175.2 | -178.3 | 73.4 | 0 | 114.2 | C242 Q330 D331 | K239-C242 HydrophobicContact CG-CB 4.33Å; K239-C242 PolarHBondContact O-SG 3.47Å; K239-Q330 HydrophobicContact CB-CB 4.48Å; K239-Q330 HydrophobicContact CD-CB 3.51Å; K239-D331 VanDerWaalsContact CD-OD1 3.26Å; K239-D331 WeakPolarHBondContact CD-OD1 3.15Å; K239-D331 WeakPolarHBondContact CE-OD1 2.88Å; K239-D331 WeakPolarHBondContact CE-OD2 3.26Å |
| 240 | T | 82.7 | Confident | 91.1 | Very high | 45 Ų | 45 | 16.5 Ų | 16.5 | 28% | 0.276 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 143.6 | 176.6 | -59.6 | 0 | 0 | 0 | 0 | 111.9 | C242 E292 | T240-C242 PolarHBondContact O-N 3.04Å; T240-E292 WeakPolarHBondContact CA-OE1 3.46Å; T240-E292 WeakPolarHBondContact CB-OE1 3.29Å; T240-E292 PolarHBondContact N-OE1 2.95Å; T240-E292 VanDerWaalsContact OG1-CD 3.31Å; T240-E292 PolarHBondContact OG1-OE1 3.01Å |
| 241 | G | 77.9 | Confident | 91.8 | Very high | 42 Ų | 42 | 12.2 Ų | 12.2 | 43% | 0.433 | 9% | 0.087 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | -4.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | R123 G243 | R123-G241 PolarHBondContact NE-O 3.19Å; R123-G241 PolarHBondContact NH2-O 3.08Å; G241-G243 PolarHBondContact O-N 2.89Å; G241-G243 VanDerWaalsContact O-N 3.15Å |
| 242 | C | 83.8 | Confident | 92 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -65.4 | -12.5 | 177.2 | 66.7 | 0 | 0 | 0 | 0 | 114.1 | K239 T240 K244 V321 T355 | K239-C242 HydrophobicContact CG-CB 4.33Å; K239-C242 PolarHBondContact O-SG 3.47Å; T240-C242 PolarHBondContact O-N 3.04Å; C242-K244 VanDerWaalsContact SG-CG 3.59Å; C242-V321 HydrophobicContact CB-CG1 4.24Å; C242-V321 WeakPolarHBondContact CB-O 3.44Å; C242-V321 PolarHBondContact SG-O 3.26Å; C242-T355 WeakPolarHBondContact O-CG2 3.24Å; C242-T355 PolarHBondContact O-OG1 3.3Å |
| 243 | G | 87.6 | Confident | 91.8 | Very high | 22 Ų | 22 | 13.9 Ų | 13.9 | 23% | 0.227 | 10% | 0.104 | C | C | . | . | S | Bend | trans | 110.3 | 13.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | G241 S245 A246 T247 | G241-G243 PolarHBondContact O-N 2.89Å; G241-G243 VanDerWaalsContact O-N 3.15Å; G243-S245 PolarHBondContact O-N 3.09Å; G243-A246 WeakPolarHBondContact O-CB 3.46Å; G243-A246 PolarHBondContact O-N 2.91Å; G243-A246 VanDerWaalsContact O-N 3.15Å; G243-T247 WeakPolarHBondContact O-CB 3.48Å; G243-T247 PolarHBondContact O-N 3.43Å; G243-T247 PolarHBondContact O-OG1 3.24Å |
| 244 | K | 92.1 | Very high | 91.4 | Very high | 13 Ų | 13 | 16.6 Ų | 16.6 | 6% | 0.057 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -43.5 | -63 | -178.1 | -58.3 | -158.4 | -63 | -81.7 | 0 | 113.7 | L236 G238 C242 A246 T247 G248 D286 T287 V321 | L236-K244 HydrophobicContact CB-CB 4.13Å; L236-K244 HydrophobicContact CB-CD 4.14Å; L236-K244 HydrophobicContact CB-CG 4.43Å; L236-K244 HydrophobicContact CD1-CB 4.4Å; L236-K244 VanDerWaalsContact CD1-O 3.3Å; L236-K244 WeakPolarHBondContact CD1-O 3.46Å; L236-K244 WeakPolarHBondContact O-CD 3.29Å; G238-K244 PolarHBondContact O-NZ 2.99Å; C242-K244 VanDerWaalsContact SG-CG 3.59Å; K244-A246 VanDerWaalsContact C-N 3.29Å; K244-A246 PolarHBondContact O-N 3.15Å; K244-T247 CarbonylContact O-C 3.5Å; K244-T247 WeakPolarHBondContact O-CA 3.47Å; K244-T247 VanDerWaalsContact O-CB 3.29Å; K244-T247 WeakPolarHBondContact O-CB 3.17Å; K244-T247 PolarHBondContact O-N 2.93Å; K244-G248 PolarHBondContact O-N 3.22Å; K244-D286 WeakPolarHBondContact CB-OD1 3.42Å; K244-T287 WeakPolarHBondContact CE-O 3.29Å; K244-T287 WeakPolarHBondContact CE-OG1 3.45Å; K244-T287 PolarHBondContact NZ-O 3.11Å; K244-V321 HydrophobicContact CG-CB 4.12Å; K244-V321 HydrophobicContact CG-CG2 4.17Å |
| 245 | S | 91.8 | Very high | 90.9 | Very high | 18 Ų | 18 | 22.3 Ų | 22.3 | 13% | 0.126 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.8 | -36.8 | -177.2 | -34 | 0 | 0 | 0 | 0 | 113.5 | G243 N249 T267 D286 | G243-S245 PolarHBondContact O-N 3.09Å; S245-N249 VanDerWaalsContact O-CG 3.31Å; S245-N249 PolarHBondContact O-N 2.74Å; S245-N249 VanDerWaalsContact O-N 3.13Å; S245-N249 PolarHBondContact O-ND2 3.31Å; S245-T267 PolarHBondContact OG-OG1 2.92Å; S245-D286 WeakPolarHBondContact CB-OD2 3.16Å; S245-D286 PolarHBondContact N-OD1 3.37Å; S245-D286 PolarHBondContact OG-OD2 2.85Å |
| 246 | A | 91.8 | Very high | 90.6 | Very high | 16 Ų | 16 | 24.1 Ų | 24.1 | 13% | 0.132 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.1 | -43.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | G243 K244 G248 N249 S250 N393 | G243-A246 WeakPolarHBondContact O-CB 3.46Å; G243-A246 PolarHBondContact O-N 2.91Å; G243-A246 VanDerWaalsContact O-N 3.15Å; K244-A246 VanDerWaalsContact C-N 3.29Å; K244-A246 PolarHBondContact O-N 3.15Å; A246-G248 VanDerWaalsContact C-N 3.32Å; A246-G248 PolarHBondContact O-N 3.03Å; A246-N249 WeakPolarHBondContact O-CB 3.45Å; A246-N249 PolarHBondContact O-N 3.45Å; A246-N249 VanDerWaalsContact O-N 3.13Å; A246-S250 PolarHBondContact O-N 2.8Å; A246-S250 PolarHBondContact O-OG 3.34Å; A246-N393 HydrophobicContact CB-CB 4Å |
| 247 | T | 95.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63 | -39.6 | 176.7 | -48 | 0 | 0 | 0 | 0 | 110.8 | G243 K244 N249 S250 I251 L353 T355 F391 N393 | G243-T247 WeakPolarHBondContact O-CB 3.48Å; G243-T247 PolarHBondContact O-N 3.43Å; G243-T247 PolarHBondContact O-OG1 3.24Å; K244-T247 CarbonylContact O-C 3.5Å; K244-T247 WeakPolarHBondContact O-CA 3.47Å; K244-T247 VanDerWaalsContact O-CB 3.29Å; K244-T247 WeakPolarHBondContact O-CB 3.17Å; K244-T247 PolarHBondContact O-N 2.93Å; T247-N249 VanDerWaalsContact C-N 3.32Å; T247-N249 PolarHBondContact O-N 3.47Å; T247-S250 PolarHBondContact O-N 3.41Å; T247-I251 HydrophobicContact CG2-CD1 4.03Å; T247-I251 WeakPolarHBondContact O-CB 3.42Å; T247-I251 WeakPolarHBondContact O-CD1 3.28Å; T247-I251 WeakPolarHBondContact O-CG1 3.49Å; T247-I251 PolarHBondContact O-N 2.87Å; T247-L353 HydrophobicContact CG2-CD1 3.45Å; T247-L353 VanDerWaalsContact CG2-CD1 3.45Å; T247-L353 HydrophobicContact CG2-CD2 3.58Å; T247-L353 HydrophobicContact CG2-CG 4.18Å; T247-T355 WeakPolarHBondContact OG1-CG2 3.23Å; T247-F391 HydrophobicContact CG2-CD2 4.19Å; T247-N393 PolarHBondContact N-ND2 3.14Å; T247-N393 PolarHBondContact OG1-ND2 2.99Å |
| 248 | G | 95.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.3 | -38 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K244 A246 L252 | K244-G248 PolarHBondContact O-N 3.22Å; A246-G248 VanDerWaalsContact C-N 3.32Å; A246-G248 PolarHBondContact O-N 3.03Å; G248-L252 WeakPolarHBondContact O-CB 3.37Å; G248-L252 WeakPolarHBondContact O-CG 3.41Å; G248-L252 PolarHBondContact O-N 3.05Å; G248-L252 VanDerWaalsContact O-N 3.11Å |
| 249 | N | 93.1 | Very high | 89.2 | Confident | 20 Ų | 20 | 31.2 Ų | 31.2 | 11% | 0.107 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.3 | -44.6 | 172.8 | -67.6 | -20 | 0 | 0 | 0 | 111.7 | S245 A246 T247 I251 L252 G253 Q254 V256 F257 | S245-N249 VanDerWaalsContact O-CG 3.31Å; S245-N249 PolarHBondContact O-N 2.74Å; S245-N249 VanDerWaalsContact O-N 3.13Å; S245-N249 PolarHBondContact O-ND2 3.31Å; A246-N249 WeakPolarHBondContact O-CB 3.45Å; A246-N249 PolarHBondContact O-N 3.45Å; A246-N249 VanDerWaalsContact O-N 3.13Å; T247-N249 VanDerWaalsContact C-N 3.32Å; T247-N249 PolarHBondContact O-N 3.47Å; N249-I251 VanDerWaalsContact C-N 3.33Å; N249-I251 PolarHBondContact O-N 3.13Å; N249-L252 PolarHBondContact O-N 2.92Å; N249-G253 PolarHBondContact O-N 3.09Å; N249-Q254 VanDerWaalsContact CA-O 3.27Å; N249-Q254 WeakPolarHBondContact CA-O 3.32Å; N249-Q254 VanDerWaalsContact CB-O 3.29Å; N249-Q254 WeakPolarHBondContact CB-O 3.05Å; N249-Q254 PolarHBondContact O-N 2.86Å; N249-Q254 VanDerWaalsContact O-N 3.14Å; N249-Q254 PolarHBondContact OD1-O 3.01Å; N249-V256 PolarHBondContact OD1-N 3.46Å; N249-F257 PolarHBondContact ND2-O 3.32Å; N249-F257 WeakPolarHBondContact OD1-CB 3.42Å; N249-F257 WeakPolarHBondContact OD1-CD2 3.44Å; N249-F257 PolarHBondContact OD1-N 2.76Å |
| 250 | S | 93.6 | Very high | 88.4 | Confident | 5 Ų | 5 | 36 Ų | 36 | 4% | 0.035 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.4 | -32.8 | 176.7 | -58 | 0 | 0 | 0 | 0 | 113 | A246 T247 N393 Q404 | A246-S250 PolarHBondContact O-N 2.8Å; A246-S250 PolarHBondContact O-OG 3.34Å; T247-S250 PolarHBondContact O-N 3.41Å; S250-N393 PolarHBondContact OG-OD1 3.31Å; S250-Q404 PolarHBondContact O-NE2 3.25Å |
| 251 | I | 94.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.1 | -43.4 | 172.2 | -77.5 | 165.8 | 0 | 0 | 0 | 111.4 | I234 L236 T247 N249 W277 V284 L319 F391 Q404 L407 | I234-I251 HydrophobicContact CD1-CG2 4.44Å; L236-I251 HydrophobicContact CD2-CD1 4.07Å; T247-I251 HydrophobicContact CG2-CD1 4.03Å; T247-I251 WeakPolarHBondContact O-CB 3.42Å; T247-I251 WeakPolarHBondContact O-CD1 3.28Å; T247-I251 WeakPolarHBondContact O-CG1 3.49Å; T247-I251 PolarHBondContact O-N 2.87Å; N249-I251 VanDerWaalsContact C-N 3.33Å; N249-I251 PolarHBondContact O-N 3.13Å; I251-W277 HydrophobicContact CB-CZ2 4.37Å; I251-W277 HydrophobicContact CG2-CH2 4.27Å; I251-W277 HydrophobicContact CG2-CZ2 3.69Å; I251-W277 PolarHBondContact O-NE1 2.92Å; I251-V284 HydrophobicContact CG2-CG2 3.63Å; I251-L319 HydrophobicContact CD1-CD2 3.41Å; I251-L319 VanDerWaalsContact CD1-CD2 3.41Å; I251-F391 HydrophobicContact CG1-CE2 4.03Å; I251-F391 HydrophobicContact CG1-CZ 4.28Å; I251-Q404 PolarHBondContact O-NE2 2.87Å; I251-L407 HydrophobicContact CD1-CD2 3.97Å; I251-L407 HydrophobicContact CG1-CD2 3.83Å |
| 252 | L | 93.4 | Very high | 86.7 | Confident | 18 Ų | 18 | 43.9 Ų | 43.9 | 9% | 0.094 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -86.6 | -11.2 | -177 | -66.8 | 177.1 | 0 | 0 | 0 | 113.9 | G248 N249 Q254 V256 F257 K273 V284 | G248-L252 WeakPolarHBondContact O-CB 3.37Å; G248-L252 WeakPolarHBondContact O-CG 3.41Å; G248-L252 PolarHBondContact O-N 3.05Å; G248-L252 VanDerWaalsContact O-N 3.11Å; N249-L252 PolarHBondContact O-N 2.92Å; L252-Q254 VanDerWaalsContact C-N 3.31Å; L252-Q254 HydrophobicContact CB-CG 3.98Å; L252-V256 HydrophobicContact CB-CG2 4.47Å; L252-V256 HydrophobicContact CD1-CG2 3.62Å; L252-F257 HydrophobicContact CD1-CE2 3.96Å; L252-K273 HydrophobicContact CD1-CB 3.6Å; L252-V284 HydrophobicContact CD1-CB 4.23Å; L252-V284 HydrophobicContact CD1-CG2 4.18Å; L252-V284 HydrophobicContact CD2-CG2 3.82Å; L252-V284 HydrophobicContact CG-CG2 3.92Å |
| 253 | G | 89.4 | Confident | 85.3 | Confident | 50 Ų | 50 | 47.2 Ų | 47.2 | 52% | 0.515 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 17 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | N249 | N249-G253 PolarHBondContact O-N 3.09Š|
| 254 | Q | 88.7 | Confident | 83.9 | Confident | 82 Ų | 82 | 53.6 Ų | 53.6 | 38% | 0.383 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -154.6 | 147.4 | -172.9 | 48.7 | 174.7 | -29.4 | 0 | 0 | 112.7 | N249 L252 V256 | N249-Q254 VanDerWaalsContact CA-O 3.27Å; N249-Q254 WeakPolarHBondContact CA-O 3.32Å; N249-Q254 VanDerWaalsContact CB-O 3.29Å; N249-Q254 WeakPolarHBondContact CB-O 3.05Å; N249-Q254 PolarHBondContact O-N 2.86Å; N249-Q254 VanDerWaalsContact O-N 3.14Å; N249-Q254 PolarHBondContact OD1-O 3.01Å; L252-Q254 VanDerWaalsContact C-N 3.31Å; L252-Q254 HydrophobicContact CB-CG 3.98Å; Q254-V256 VanDerWaalsContact C-N 3.29Å; Q254-V256 HydrophobicContact CB-CG1 4.19Å; Q254-V256 VanDerWaalsContact CD-CG1 3.45Å; Q254-V256 HydrophobicContact CG-CG1 3.65Å; Q254-V256 HydrophobicContact CG-CG2 4.24Å; Q254-V256 PolarHBondContact O-N 3.13Å; Q254-V256 VanDerWaalsContact OE1-CG1 3.26Å |
| 255 | P | 88.4 | Confident | 82.7 | Confident | 121 Ų | 121 | 55.3 Ų | 55.3 | 79% | 0.786 | 31% | 0.31 | S | S | * | . | trans | -81 | 65.1 | -176.2 | 34.6 | -37.1 | 0 | 0 | 0 | 112.7 | ||||
| 256 | V | 92 | Very high | 81.5 | Confident | 39 Ų | 39 | 56.2 Ų | 56.2 | 24% | 0.236 | 31% | 0.314 | C | S | . | . | trans | -93.3 | -18.4 | -172.8 | -71.1 | 0 | 0 | 0 | 0 | 115.5 | N249 L252 Q254 K273 | N249-V256 PolarHBondContact OD1-N 3.46Å; L252-V256 HydrophobicContact CB-CG2 4.47Å; L252-V256 HydrophobicContact CD1-CG2 3.62Å; Q254-V256 VanDerWaalsContact C-N 3.29Å; Q254-V256 HydrophobicContact CB-CG1 4.19Å; Q254-V256 VanDerWaalsContact CD-CG1 3.45Å; Q254-V256 HydrophobicContact CG-CG1 3.65Å; Q254-V256 HydrophobicContact CG-CG2 4.24Å; Q254-V256 PolarHBondContact O-N 3.13Å; Q254-V256 VanDerWaalsContact OE1-CG1 3.26Å; V256-K273 HydrophobicContact CB-CB 4.37Å; V256-K273 HydrophobicContact CB-CD 4.01Å; V256-K273 HydrophobicContact CB-CG 3.96Å; V256-K273 HydrophobicContact CG2-CB 3.8Å; V256-K273 HydrophobicContact CG2-CD 4.36Å; V256-K273 HydrophobicContact CG2-CG 3.77Å; V256-K273 WeakPolarHBondContact O-CE 3.17Å | ||
| 257 | F | 90.2 | Very high | 80.5 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.018 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -103 | 141.4 | 168.9 | -57.6 | -77 | 0 | 0 | 0 | 110.2 | N249 L252 S259 Q271 K273 V284 D286 | N249-F257 PolarHBondContact ND2-O 3.32Å; N249-F257 WeakPolarHBondContact OD1-CB 3.42Å; N249-F257 WeakPolarHBondContact OD1-CD2 3.44Å; N249-F257 PolarHBondContact OD1-N 2.76Å; L252-F257 HydrophobicContact CD1-CE2 3.96Å; F257-S259 PolarHBondContact O-N 3.14Å; F257-Q271 HydrophobicContact CD1-CB 4.11Å; F257-Q271 HydrophobicContact CE1-CB 3.99Å; F257-Q271 WeakPolarHBondContact CE1-O 3.26Å; F257-K273 HydrophobicContact CD1-CG 3.89Å; F257-K273 HydrophobicContact CD2-CG 4.44Å; F257-K273 HydrophobicContact CE1-CB 4.07Å; F257-K273 HydrophobicContact CE1-CG 3.42Å; F257-K273 VanDerWaalsContact CE1-CG 3.42Å; F257-K273 HydrophobicContact CE2-CB 4.06Å; F257-K273 HydrophobicContact CE2-CG 4.03Å; F257-K273 HydrophobicContact CG-CG 4.38Å; F257-K273 HydrophobicContact CZ-CB 3.63Å; F257-K273 HydrophobicContact CZ-CG 3.51Å; F257-V284 HydrophobicContact CE2-CB 4.3Å; F257-V284 HydrophobicContact CE2-CG1 3.96Å; F257-V284 HydrophobicContact CZ-CB 4.13Å; F257-V284 HydrophobicContact CZ-CG1 3.93Å; F257-D286 HydrophobicContact CD1-CB 3.65Å; F257-D286 HydrophobicContact CE1-CB 3.56Å; F257-D286 HydrophobicContact CG-CB 4.25Å; F257-D286 HydrophobicContact CZ-CB 4.11Å |
| 258 | E | 84.3 | Confident | 79.7 | Confident | 85 Ų | 85 | 64.4 Ų | 64.4 | 40% | 0.397 | 34% | 0.343 | S | S | . | . | trans | -73.5 | 93.4 | 178.8 | -167.5 | -173 | 176.6 | 0 | 0 | 111.4 | K260 V266 | E258-K260 HydrophobicContact CG-CD 4.15Å; E258-K260 HydrophobicContact CG-CG 4.31Å; E258-K260 VanDerWaalsContact OE1-CD 3.29Å; E258-K260 WeakPolarHBondContact OE1-CD 3.48Å; E258-K260 WeakPolarHBondContact OE1-CE 3.38Å; E258-K260 IonicContact OE1-NZ 2.66Å; E258-K260 PolarHBondContact OE1-NZ 3.21Å; E258-V266 HydrophobicContact CB-CG1 3.91Å; E258-V266 VanDerWaalsContact CD-CG1 3.47Å; E258-V266 HydrophobicContact CG-CG1 3.74Å; E258-V266 WeakPolarHBondContact O-CG1 3.33Å; E258-V266 WeakPolarHBondContact OE2-CG1 3.43Å | ||
| 259 | S | 80.5 | Confident | 79.2 | Confident | 60 Ų | 60 | 68.1 Ų | 68.1 | 42% | 0.42 | 37% | 0.365 | S | S | . | . | trans | -100.9 | 115 | 171.8 | -174.5 | 0 | 0 | 0 | 0 | 110.5 | F257 | F257-S259 PolarHBondContact O-N 3.14Š| ||
| 260 | K | 70.8 | Confident | 79 | Confident | 116 Ų | 116 | 67.9 Ų | 67.9 | 50% | 0.504 | 37% | 0.365 | S | S | . | . | trans | -139.7 | 140.5 | 176.8 | -66.9 | 178.8 | -174.7 | 159.8 | 0 | 110.3 | E258 R262 | E258-K260 HydrophobicContact CG-CD 4.15Å; E258-K260 HydrophobicContact CG-CG 4.31Å; E258-K260 VanDerWaalsContact OE1-CD 3.29Å; E258-K260 WeakPolarHBondContact OE1-CD 3.48Å; E258-K260 WeakPolarHBondContact OE1-CE 3.38Å; E258-K260 IonicContact OE1-NZ 2.66Å; E258-K260 PolarHBondContact OE1-NZ 3.21Å; K260-R262 HydrophobicContact CB-CG 4.37Å; K260-R262 PolarHBondContact O-N 3.16Å | ||
| 261 | L | 63.3 | Low | 79 | Confident | 100 Ų | 100 | 70.3 Ų | 70.3 | 52% | 0.524 | 38% | 0.376 | S | S | . | . | trans | -68.6 | 98.3 | 174.3 | -64.1 | 175.9 | 0 | 0 | 0 | 109.7 | ||||
| 262 | R | 62 | Low | 79 | Confident | 153 Ų | 153 | 72.8 Ų | 72.8 | 58% | 0.577 | 39% | 0.391 | S | S | * | . | trans | -138.9 | 143.6 | 179.8 | -72.6 | -175.7 | 166.6 | -175.7 | -4.3 | 110.2 | G122 K260 Q264 V266 | G122-R262 CarbonylContact O-C 3.59Å; G122-R262 VanDerWaalsContact O-O 3.09Å; K260-R262 HydrophobicContact CB-CG 4.37Å; K260-R262 PolarHBondContact O-N 3.16Å; R262-Q264 PolarHBondContact O-N 3.33Å; R262-Q264 VanDerWaalsContact O-N 3.14Å; R262-V266 HydrophobicContact CB-CG2 4.47Å | ||
| 263 | A | 53.4 | Low | 79.1 | Confident | 70 Ų | 70 | 75.7 Ų | 75.7 | 58% | 0.579 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -69.9 | -4.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | F124 | F124-A263 HydrophobicContact CB-CB 4.38Š|
| 264 | Q | 59.6 | Low | 79.4 | Confident | 156 Ų | 156 | 76.6 Ų | 76.6 | 73% | 0.729 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -124.3 | 152.1 | 175.2 | -66.8 | -179.1 | -11.3 | 0 | 0 | 109.3 | R262 | R262-Q264 PolarHBondContact O-N 3.33Å; R262-Q264 VanDerWaalsContact O-N 3.14Å |
| 265 | S | 65.6 | Low | 79.6 | Confident | 49 Ų | 49 | 73.4 Ų | 73.4 | 34% | 0.343 | 39% | 0.387 | S | S | . | . | trans | -58.9 | 139.5 | 176.3 | -168.2 | 0 | 0 | 0 | 0 | 111.6 | T267 | S265-T267 PolarHBondContact OG-O 2.92Š| ||
| 266 | V | 66.9 | Low | 79.7 | Confident | 37 Ų | 37 | 72.5 Ų | 72.5 | 22% | 0.224 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -90.6 | -50.4 | 174 | -177 | 0 | 0 | 0 | 0 | 109.8 | E258 R262 R268 | E258-V266 HydrophobicContact CB-CG1 3.91Å; E258-V266 VanDerWaalsContact CD-CG1 3.47Å; E258-V266 HydrophobicContact CG-CG1 3.74Å; E258-V266 WeakPolarHBondContact O-CG1 3.33Å; E258-V266 WeakPolarHBondContact OE2-CG1 3.43Å; R262-V266 HydrophobicContact CB-CG2 4.47Å; V266-R268 PolarHBondContact O-N 2.94Å |
| 267 | T | 71.8 | Confident | 79.5 | Confident | 8 Ų | 8 | 71.5 Ų | 71.5 | 5% | 0.049 | 37% | 0.372 | C | S | . | . | trans | -66.5 | 114.5 | 173.5 | -48.4 | 0 | 0 | 0 | 0 | 110.2 | S245 S265 T269 D286 P288 | S245-T267 PolarHBondContact OG-OG1 2.92Å; S265-T267 PolarHBondContact OG-O 2.92Å; T267-T269 VanDerWaalsContact CG2-O 3.23Å; T267-T269 WeakPolarHBondContact CG2-O 3.49Å; T267-D286 PolarHBondContact OG1-OD2 3.39Å; T267-P288 HydrophobicContact CG2-CB 4.27Å; T267-P288 WeakPolarHBondContact O-CB 3.38Å | ||
| 268 | R | 77.9 | Confident | 79.2 | Confident | 180 Ų | 180 | 78.5 Ų | 78.5 | 68% | 0.679 | 41% | 0.41 | S | S | * | . | trans | -108.6 | -27.9 | 176 | -66 | -174.7 | 180 | -167.4 | -2.2 | 113.6 | V266 P288 | V266-R268 PolarHBondContact O-N 2.94Å; R268-P288 WeakPolarHBondContact O-CB 3.38Å; R268-P288 WeakPolarHBondContact O-CG 3.38Å | ||
| 269 | T | 84 | Confident | 79.2 | Confident | 77 Ų | 77 | 77.6 Ų | 77.6 | 47% | 0.472 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -124.5 | 157.6 | 176.6 | 53.4 | 0 | 0 | 0 | 0 | 110.4 | T267 N303 | T267-T269 VanDerWaalsContact CG2-O 3.23Å; T267-T269 WeakPolarHBondContact CG2-O 3.49Å; T269-N303 WeakPolarHBondContact CA-OD1 3.37Å |
| 270 | C | 89.3 | Confident | 79.6 | Confident | 15 Ų | 15 | 78.1 Ų | 78.1 | 10% | 0.101 | 42% | 0.416 | C | S | . | . | trans | -62.7 | 135.7 | 172.5 | -66 | 0 | 0 | 0 | 0 | 110.7 | V285 D286 P288 N303 L310 | C270-V285 HydrophobicContact CB-CG1 4.5Å; C270-D286 WeakPolarHBondContact CA-O 3.5Å; C270-P288 WeakPolarHBondContact SG-CD 3.41Å; C270-N303 PolarHBondContact SG-O 3.02Å; C270-L310 HydrophobicContact CB-CD1 3.84Å | ||
| 271 | Q | 92.4 | Very high | 80.7 | Confident | 57 Ų | 57 | 77.9 Ų | 77.9 | 27% | 0.266 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 131.9 | 179.2 | -63.2 | -173.6 | 25.5 | 0 | 0 | 110.2 | F257 V285 D286 | F257-Q271 HydrophobicContact CD1-CB 4.11Å; F257-Q271 HydrophobicContact CE1-CB 3.99Å; F257-Q271 WeakPolarHBondContact CE1-O 3.26Å; Q271-V285 CarbonylContact O-C 3.59Å; Q271-V285 VanDerWaalsContact O-CA 3.3Å; Q271-V285 WeakPolarHBondContact O-CA 3.48Å; Q271-D286 PolarHBondContact N-O 2.86Å; Q271-D286 PolarHBondContact O-N 2.87Å |
| 272 | V | 95.1 | Very high | 82.2 | Confident | 52 Ų | 52 | 73.2 Ų | 73.2 | 32% | 0.315 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 138.9 | 171.5 | 70 | 0 | 0 | 0 | 0 | 110.8 | L283 V284 V285 L310 | V272-L283 HydrophobicContact CG2-CD1 3.86Å; V272-L283 HydrophobicContact CG2-CD2 3.58Å; V272-L283 HydrophobicContact CG2-CG 3.49Å; V272-L283 VanDerWaalsContact CG2-CG 3.49Å; V272-V284 WeakPolarHBondContact CA-O 3.19Å; V272-V285 HydrophobicContact CB-CG2 4.48Å; V272-V285 HydrophobicContact CG2-CG2 4.23Å; V272-L310 HydrophobicContact CB-CB 4.42Å; V272-L310 HydrophobicContact CB-CD1 4.38Å; V272-L310 HydrophobicContact CB-CD2 4.11Å; V272-L310 HydrophobicContact CG1-CD2 3.75Å |
| 273 | K | 96.3 | Very high | 83.9 | Confident | 78 Ų | 78 | 67.4 Ų | 67.4 | 34% | 0.339 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 155.5 | 170 | -58.9 | -67.3 | 172.5 | 169.3 | 0 | 109.8 | L252 V256 F257 V284 | L252-K273 HydrophobicContact CD1-CB 3.6Å; V256-K273 HydrophobicContact CB-CB 4.37Å; V256-K273 HydrophobicContact CB-CD 4.01Å; V256-K273 HydrophobicContact CB-CG 3.96Å; V256-K273 HydrophobicContact CG2-CB 3.8Å; V256-K273 HydrophobicContact CG2-CD 4.36Å; V256-K273 HydrophobicContact CG2-CG 3.77Å; V256-K273 WeakPolarHBondContact O-CE 3.17Å; F257-K273 HydrophobicContact CD1-CG 3.89Å; F257-K273 HydrophobicContact CD2-CG 4.44Å; F257-K273 HydrophobicContact CE1-CB 4.07Å; F257-K273 HydrophobicContact CE1-CG 3.42Å; F257-K273 VanDerWaalsContact CE1-CG 3.42Å; F257-K273 HydrophobicContact CE2-CB 4.06Å; F257-K273 HydrophobicContact CE2-CG 4.03Å; F257-K273 HydrophobicContact CG-CG 4.38Å; F257-K273 HydrophobicContact CZ-CB 3.63Å; F257-K273 HydrophobicContact CZ-CG 3.51Å; K273-V284 PolarHBondContact N-O 3.25Å; K273-V284 PolarHBondContact O-N 2.83Å |
| 274 | T | 94.9 | Very high | 86 | Confident | 69 Ų | 69 | 64 Ų | 64 | 42% | 0.423 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 148.8 | -176.7 | 55.8 | 0 | 0 | 0 | 0 | 112.4 | V282 L283 | T274-V282 CarbonylContact C-O 3.56Å; T274-V282 WeakPolarHBondContact CA-O 3.34Å; T274-V282 WeakPolarHBondContact CB-O 3.45Å; T274-L283 HydrophobicContact CG2-CB 4.14Å; T274-L283 HydrophobicContact CG2-CD1 4.36Å; T274-L283 HydrophobicContact CG2-CG 4.19Å |
| 275 | G | 93.1 | Very high | 87.8 | Confident | 15 Ų | 15 | 56.6 Ų | 56.6 | 16% | 0.155 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | -161.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | V282 | G275-V282 PolarHBondContact N-O 3.06Å; G275-V282 PolarHBondContact O-N 3.47Å |
| 276 | T | 91.2 | Very high | 89.2 | Confident | 103 Ų | 103 | 54.3 Ų | 54.3 | 63% | 0.632 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 139.1 | -179.8 | 42.1 | 0 | 0 | 0 | 0 | 111.2 | R280 | T276-R280 VanDerWaalsContact CA-O 3.31Å; T276-R280 WeakPolarHBondContact CA-O 3.26Å |
| 277 | W | 87.4 | Confident | 90.2 | Very high | 17 Ų | 17 | 52.6 Ų | 52.6 | 6% | 0.064 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 120.2 | 170.6 | -74.9 | -11.2 | 0 | 0 | 0 | 107.6 | L232 I234 I251 G279 R280 V282 Q404 L407 L408 I411 | L232-W277 HydrophobicContact CD2-CE3 3.94Å; L232-W277 HydrophobicContact CD2-CZ3 3.8Å; I234-W277 HydrophobicContact CD1-CH2 4.31Å; I234-W277 HydrophobicContact CD1-CZ3 4.46Å; I251-W277 HydrophobicContact CB-CZ2 4.37Å; I251-W277 HydrophobicContact CG2-CH2 4.27Å; I251-W277 HydrophobicContact CG2-CZ2 3.69Å; I251-W277 PolarHBondContact O-NE1 2.92Å; W277-G279 PolarHBondContact O-N 3.37Å; W277-G279 VanDerWaalsContact O-N 3.13Å; W277-R280 PolarHBondContact N-O 3.36Å; W277-R280 WeakPolarHBondContact O-CB 3.25Å; W277-R280 PolarHBondContact O-N 2.94Å; W277-V282 HydrophobicContact CB-CG2 3.87Å; W277-V282 HydrophobicContact CD2-CG2 3.77Å; W277-V282 HydrophobicContact CE3-CG2 3.91Å; W277-V282 HydrophobicContact CG-CG2 3.71Å; W277-Q404 HydrophobicContact CZ2-CB 4.42Å; W277-Q404 HydrophobicContact CZ2-CG 4.29Å; W277-L407 HydrophobicContact CH2-CD2 3.92Å; W277-L407 HydrophobicContact CH2-CG 4.08Å; W277-L408 HydrophobicContact CE3-CB 4.3Å; W277-L408 HydrophobicContact CE3-CD1 3.96Å; W277-L408 HydrophobicContact CZ3-CB 4.2Å; W277-L408 HydrophobicContact CZ3-CD1 4.24Å; W277-I411 HydrophobicContact CH2-CD1 4.34Å; W277-I411 HydrophobicContact CZ3-CD1 4.09Å |
| 278 | N | 83.3 | Confident | 90.8 | Very high | 152 Ų | 152 | 52.4 Ų | 52.4 | 81% | 0.813 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 43 | -179.2 | -58.7 | -11.3 | 0 | 0 | 0 | 113 | R280 | N278-R280 PolarHBondContact O-N 3.18Š|
| 279 | G | 85 | Confident | 90.8 | Very high | 65 Ų | 65 | 45.4 Ų | 45.4 | 67% | 0.67 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | -23 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | W277 | W277-G279 PolarHBondContact O-N 3.37Å; W277-G279 VanDerWaalsContact O-N 3.13Å |
| 280 | R | 88.8 | Confident | 90.8 | Very high | 71 Ų | 71 | 41.9 Ų | 41.9 | 27% | 0.268 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 130.9 | 176 | -172.8 | 175.9 | -176.1 | -171.4 | 0.7 | 110.6 | P229 P230 T276 W277 N278 V282 | P229-R280 HydrophobicContact CB-CG 4.42Å; P229-R280 HydrophobicContact CG-CB 4.29Å; P229-R280 HydrophobicContact CG-CG 4.15Å; P230-R280 PolarHBondContact O-NE 3.33Å; P230-R280 PolarHBondContact O-NH2 3.17Å; T276-R280 VanDerWaalsContact CA-O 3.31Å; T276-R280 WeakPolarHBondContact CA-O 3.26Å; W277-R280 PolarHBondContact N-O 3.36Å; W277-R280 WeakPolarHBondContact O-CB 3.25Å; W277-R280 PolarHBondContact O-N 2.94Å; N278-R280 PolarHBondContact O-N 3.18Å; R280-V282 PolarHBondContact O-N 3.13Å |
| 281 | K | 93.9 | Very high | 90.5 | Very high | 112 Ų | 112 | 41.1 Ų | 41.1 | 49% | 0.487 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 131.1 | 173.6 | -174.6 | 173.2 | -176.9 | 175.3 | 0 | 110.5 | A231 L232 | A231-K281 CarbonylContact C-O 3.56Å; A231-K281 VanDerWaalsContact CA-O 3.26Å; A231-K281 WeakPolarHBondContact CA-O 3.47Å; A231-K281 HydrophobicContact CB-CB 3.96Å; A231-K281 HydrophobicContact CB-CD 4.17Å; A231-K281 HydrophobicContact CB-CG 4.03Å; L232-K281 PolarHBondContact N-O 2.67Å |
| 282 | V | 95.4 | Very high | 90 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 136.9 | 175.3 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | L232 I234 T274 G275 W277 R280 V284 | L232-V282 HydrophobicContact CB-CG2 4.35Å; L232-V282 HydrophobicContact CD2-CG1 4.29Å; L232-V282 HydrophobicContact CD2-CG2 4.3Å; L232-V282 CarbonylContact O-C 3.58Å; I234-V282 HydrophobicContact CD1-CG1 4.09Å; T274-V282 CarbonylContact C-O 3.56Å; T274-V282 WeakPolarHBondContact CA-O 3.34Å; T274-V282 WeakPolarHBondContact CB-O 3.45Å; G275-V282 PolarHBondContact N-O 3.06Å; G275-V282 PolarHBondContact O-N 3.47Å; W277-V282 HydrophobicContact CB-CG2 3.87Å; W277-V282 HydrophobicContact CD2-CG2 3.77Å; W277-V282 HydrophobicContact CE3-CG2 3.91Å; W277-V282 HydrophobicContact CG-CG2 3.71Å; R280-V282 PolarHBondContact O-N 3.13Å; V282-V284 HydrophobicContact CG1-CG2 4.25Å |
| 283 | L | 96.6 | Very high | 88.8 | Confident | 31 Ų | 31 | 42.7 Ų | 42.7 | 16% | 0.162 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 125.8 | 177.9 | -179.6 | 156.2 | 0 | 0 | 0 | 108.2 | L232 R233 I234 V272 T274 V285 | L232-L283 PolarHBondContact O-N 3.1Å; R233-L283 WeakPolarHBondContact CA-O 3.31Å; R233-L283 HydrophobicContact CB-CD2 4.45Å; R233-L283 HydrophobicContact CG-CB 4.34Å; R233-L283 HydrophobicContact CG-CD2 4.27Å; I234-L283 PolarHBondContact N-O 2.86Å; V272-L283 HydrophobicContact CG2-CD1 3.86Å; V272-L283 HydrophobicContact CG2-CD2 3.58Å; V272-L283 HydrophobicContact CG2-CG 3.49Å; V272-L283 VanDerWaalsContact CG2-CG 3.49Å; T274-L283 HydrophobicContact CG2-CB 4.14Å; T274-L283 HydrophobicContact CG2-CD1 4.36Å; T274-L283 HydrophobicContact CG2-CG 4.19Å; L283-V285 HydrophobicContact CD2-CG2 3.77Å |
| 284 | V | 97.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 129.6 | -180 | -177.9 | 0 | 0 | 0 | 0 | 109 | I234 L236 I251 L252 F257 V272 K273 V282 | I234-V284 CarbonylContact O-C 3.6Å; I234-V284 WeakPolarHBondContact O-CA 3.49Å; L236-V284 HydrophobicContact CD1-CG1 3.73Å; L236-V284 HydrophobicContact CD2-CG1 4Å; L236-V284 HydrophobicContact CG-CG1 3.76Å; I251-V284 HydrophobicContact CG2-CG2 3.63Å; L252-V284 HydrophobicContact CD1-CB 4.23Å; L252-V284 HydrophobicContact CD1-CG2 4.18Å; L252-V284 HydrophobicContact CD2-CG2 3.82Å; L252-V284 HydrophobicContact CG-CG2 3.92Å; F257-V284 HydrophobicContact CE2-CB 4.3Å; F257-V284 HydrophobicContact CE2-CG1 3.96Å; F257-V284 HydrophobicContact CZ-CB 4.13Å; F257-V284 HydrophobicContact CZ-CG1 3.93Å; V272-V284 WeakPolarHBondContact CA-O 3.19Å; K273-V284 PolarHBondContact N-O 3.25Å; K273-V284 PolarHBondContact O-N 2.83Å; V282-V284 HydrophobicContact CG1-CG2 4.25Å |
| 285 | V | 97 | Very high | 86.4 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 113 | 171.7 | -174.4 | 0 | 0 | 0 | 0 | 108.9 | I234 I235 L236 C270 Q271 V272 L283 L310 | I234-V285 PolarHBondContact O-N 2.93Å; I235-V285 HydrophobicContact CG1-CB 4.34Å; L236-V285 PolarHBondContact N-O 2.9Å; C270-V285 HydrophobicContact CB-CG1 4.5Å; Q271-V285 CarbonylContact O-C 3.59Å; Q271-V285 VanDerWaalsContact O-CA 3.3Å; Q271-V285 WeakPolarHBondContact O-CA 3.48Å; V272-V285 HydrophobicContact CB-CG2 4.48Å; V272-V285 HydrophobicContact CG2-CG2 4.23Å; L283-V285 HydrophobicContact CD2-CG2 3.77Å; V285-L310 HydrophobicContact CG1-CB 4.36Å; V285-L310 HydrophobicContact CG2-CB 4.16Å |
| 286 | D | 94.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 131.1 | 166.1 | -173.2 | 41.5 | 0 | 0 | 0 | 109.2 | L236 K244 S245 F257 T267 C270 Q271 | L236-D286 HydrophobicContact CD1-CB 4.28Å; K244-D286 WeakPolarHBondContact CB-OD1 3.42Å; S245-D286 WeakPolarHBondContact CB-OD2 3.16Å; S245-D286 PolarHBondContact N-OD1 3.37Å; S245-D286 PolarHBondContact OG-OD2 2.85Å; F257-D286 HydrophobicContact CD1-CB 3.65Å; F257-D286 HydrophobicContact CE1-CB 3.56Å; F257-D286 HydrophobicContact CG-CB 4.25Å; F257-D286 HydrophobicContact CZ-CB 4.11Å; T267-D286 PolarHBondContact OG1-OD2 3.39Å; C270-D286 WeakPolarHBondContact CA-O 3.5Å; Q271-D286 PolarHBondContact N-O 2.86Å; Q271-D286 PolarHBondContact O-N 2.87Å |
| 287 | T | 89.1 | Confident | 85.6 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | trans | -106 | 149.9 | -178.1 | 78.5 | 0 | 0 | 0 | 0 | 111.4 | I235 L236 K244 I290 F291 | I235-T287 HydrophobicContact CG2-CG2 3.72Å; L236-T287 WeakPolarHBondContact O-CG2 3.49Å; L236-T287 PolarHBondContact O-OG1 3.26Å; K244-T287 WeakPolarHBondContact CE-O 3.29Å; K244-T287 WeakPolarHBondContact CE-OG1 3.45Å; K244-T287 PolarHBondContact NZ-O 3.11Å; T287-I290 HydrophobicContact CG2-CD1 4.15Å; T287-F291 HydrophobicContact CG2-CE2 4.02Å; T287-F291 VanDerWaalsContact OG1-CE2 3.32Å; T287-F291 WeakPolarHBondContact OG1-CE2 3.38Å | ||
| 288 | P | 83.9 | Confident | 85.6 | Confident | 4 Ų | 4 | 50 Ų | 50 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | trans | -71.7 | -163.5 | 166.2 | 31.6 | -30.3 | 0 | 0 | 0 | 110.3 | T267 R268 C270 I290 N303 | T267-P288 HydrophobicContact CG2-CB 4.27Å; T267-P288 WeakPolarHBondContact O-CB 3.38Å; R268-P288 WeakPolarHBondContact O-CB 3.38Å; R268-P288 WeakPolarHBondContact O-CG 3.38Å; C270-P288 WeakPolarHBondContact SG-CD 3.41Å; P288-I290 HydrophobicContact CG-CG2 4.06Å; P288-I290 PolarHBondContact O-N 3.13Å; P288-N303 HydrophobicContact CG-CB 4.05Å; P288-N303 WeakPolarHBondContact CG-OD1 3.44Å | ||
| 289 | S | 77.9 | Confident | 85.8 | Confident | 33 Ų | 33 | 48.9 Ų | 48.9 | 23% | 0.231 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -72.2 | 35.4 | -174.9 | 52.4 | 0 | 0 | 0 | 0 | 115.2 | F291 Q294 | S289-F291 PolarHBondContact O-N 3.4Å; S289-Q294 PolarHBondContact OG-NE2 3.11Å |
| 290 | I | 83.9 | Confident | 86.1 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.015 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -18.9 | -180 | 68.4 | -179.7 | 0 | 0 | 0 | 113.7 | T287 P288 E292 L300 N303 I304 C307 | T287-I290 HydrophobicContact CG2-CD1 4.15Å; P288-I290 HydrophobicContact CG-CG2 4.06Å; P288-I290 PolarHBondContact O-N 3.13Å; I290-E292 PolarHBondContact O-N 2.83Å; I290-L300 HydrophobicContact CB-CD1 3.76Å; I290-L300 HydrophobicContact CG2-CD1 3.89Å; I290-N303 HydrophobicContact CG2-CB 3.6Å; I290-I304 HydrophobicContact CB-CG1 4.34Å; I290-I304 HydrophobicContact CD1-CG1 4.38Å; I290-I304 HydrophobicContact CG2-CG1 4.48Å; I290-C307 HydrophobicContact CD1-CB 4.43Å |
| 291 | F | 82.9 | Confident | 86.3 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 41.6 | 179.4 | -53.9 | -68 | 0 | 0 | 0 | 112.5 | V237 T287 S289 A334 K337 V338 V341 F342 | V237-F291 HydrophobicContact CB-CD2 3.89Å; V237-F291 HydrophobicContact CB-CE1 4.33Å; V237-F291 HydrophobicContact CB-CE2 3.53Å; V237-F291 HydrophobicContact CB-CG 4.42Å; V237-F291 HydrophobicContact CB-CZ 3.8Å; V237-F291 HydrophobicContact CG1-CD2 4.35Å; V237-F291 HydrophobicContact CG1-CE1 4.21Å; V237-F291 HydrophobicContact CG1-CE2 3.49Å; V237-F291 VanDerWaalsContact CG1-CE2 3.49Å; V237-F291 HydrophobicContact CG1-CZ 3.42Å; V237-F291 VanDerWaalsContact CG1-CZ 3.42Å; T287-F291 HydrophobicContact CG2-CE2 4.02Å; T287-F291 VanDerWaalsContact OG1-CE2 3.32Å; T287-F291 WeakPolarHBondContact OG1-CE2 3.38Å; S289-F291 PolarHBondContact O-N 3.4Å; F291-A334 HydrophobicContact CB-CB 3.98Å; F291-A334 WeakPolarHBondContact O-CA 3.47Å; F291-A334 WeakPolarHBondContact O-CB 3.35Å; F291-K337 HydrophobicContact CB-CB 4.29Å; F291-K337 HydrophobicContact CD1-CB 4.03Å; F291-V338 HydrophobicContact CD1-CG2 3.79Å; F291-V338 HydrophobicContact CE1-CG2 3.82Å; F291-V341 HydrophobicContact CE1-CB 4.44Å; F291-V341 HydrophobicContact CE1-CG2 4.4Å; F291-F342 AromaticContact CE1-CE2 3.98Å; F291-F342 HydrophobicContact CE1-CE2 3.98Å; F291-F342 AromaticContact CZ-CE2 3.86Å; F291-F342 HydrophobicContact CZ-CE2 3.86Å |
| 292 | E | 81.4 | Confident | 86.2 | Confident | 36 Ų | 36 | 43.6 Ų | 43.6 | 17% | 0.168 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -127.9 | 163.8 | -178.3 | -64 | -162.5 | 156.3 | 0 | 0 | 113.1 | T240 I290 Q294 | T240-E292 WeakPolarHBondContact CA-OE1 3.46Å; T240-E292 WeakPolarHBondContact CB-OE1 3.29Å; T240-E292 PolarHBondContact N-OE1 2.95Å; T240-E292 VanDerWaalsContact OG1-CD 3.31Å; T240-E292 PolarHBondContact OG1-OE1 3.01Å; I290-E292 PolarHBondContact O-N 2.83Å; E292-Q294 VanDerWaalsContact C-N 3.26Å; E292-Q294 HydrophobicContact CB-CG 4.06Å; E292-Q294 PolarHBondContact O-N 3.35Å; E292-Q294 VanDerWaalsContact O-N 3.07Å; E292-Q294 PolarHBondContact OE2-NE2 3.22Å |
| 293 | S | 70.5 | Confident | 86.1 | Confident | 105 Ų | 105 | 44 Ų | 44 | 73% | 0.734 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -81.7 | 78.5 | 169.3 | -178.9 | 0 | 0 | 0 | 0 | 108.7 | ||
| 294 | Q | 69.3 | Low | 86.1 | Confident | 111 Ų | 111 | 42.7 Ų | 42.7 | 52% | 0.519 | 23% | 0.234 | S | C | . | . | trans | -116 | 168.1 | 168.1 | -57.1 | -168.4 | 21.6 | 0 | 0 | 108.6 | S289 E292 | S289-Q294 PolarHBondContact OG-NE2 3.11Å; E292-Q294 VanDerWaalsContact C-N 3.26Å; E292-Q294 HydrophobicContact CB-CG 4.06Å; E292-Q294 PolarHBondContact O-N 3.35Å; E292-Q294 VanDerWaalsContact O-N 3.07Å; E292-Q294 PolarHBondContact OE2-NE2 3.22Å | ||
| 295 | A | 71.4 | Confident | 85.9 | Confident | 75 Ų | 75 | 42.7 Ų | 42.7 | 62% | 0.62 | 23% | 0.234 | S | C | * | . | trans | -63.1 | 145.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | T297 | A295-T297 HydrophobicContact CB-CG2 4.27Å; A295-T297 PolarHBondContact O-N 3.45Å; A295-T297 VanDerWaalsContact O-N 3.14Å | ||
| 296 | D | 80.4 | Confident | 85.8 | Confident | 78 Ų | 78 | 44.2 Ų | 44.2 | 42% | 0.417 | 24% | 0.242 | S | C | . | . | trans | -70.7 | 107.2 | 172.3 | -69.1 | -55.7 | 0 | 0 | 0 | 108.8 | Y301 K337 K461 | D296-Y301 HydrophobicContact CB-CE2 3.85Å; D296-K337 IonicContact OD1-NZ 3.7Å; D296-K461 IonicContact OD1-NZ 3.62Å; D296-K461 PolarHBondContact OD1-NZ 2.96Å; D296-K461 IonicContact OD2-NZ 3.45Å; D296-K461 PolarHBondContact OD2-NZ 3.33Å | ||
| 297 | T | 87.3 | Confident | 85.9 | Confident | 68 Ų | 68 | 44.2 Ų | 44.2 | 42% | 0.417 | 24% | 0.242 | S | C | . | . | trans | -121.6 | 162.2 | -175.6 | 60.8 | 0 | 0 | 0 | 0 | 111.9 | A295 E299 L300 Y301 | A295-T297 HydrophobicContact CB-CG2 4.27Å; A295-T297 PolarHBondContact O-N 3.45Å; A295-T297 VanDerWaalsContact O-N 3.14Å; T297-E299 PolarHBondContact O-N 2.78Å; T297-L300 WeakPolarHBondContact O-CA 3.3Å; T297-L300 WeakPolarHBondContact O-CB 3.45Å; T297-L300 PolarHBondContact O-N 3.14Å; T297-L300 PolarHBondContact OG1-N 3.12Å; T297-Y301 VanDerWaalsContact O-CD2 3.32Å; T297-Y301 WeakPolarHBondContact O-CD2 3.38Å; T297-Y301 PolarHBondContact O-N 2.94Å | ||
| 298 | Q | 87.5 | Confident | 86.3 | Confident | 104 Ų | 104 | 44.2 Ų | 44.2 | 49% | 0.486 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.6 | -32.1 | 174.8 | -150 | 63.9 | 27.9 | 0 | 0 | 112.9 | K302 E454 | Q298-K302 WeakPolarHBondContact O-CB 3.42Å; Q298-K302 PolarHBondContact O-N 2.65Å; Q298-E454 PolarHBondContact NE2-OE1 2.74Å |
| 299 | E | 88.2 | Confident | 86.8 | Confident | 128 Ų | 128 | 45.2 Ų | 45.2 | 60% | 0.598 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -70.4 | -34.5 | 174.8 | -174.2 | 171.9 | -164 | 0 | 0 | 112.1 | T297 N303 | T297-E299 PolarHBondContact O-N 2.78Å; E299-N303 WeakPolarHBondContact O-CB 3.49Å; E299-N303 PolarHBondContact O-N 3.1Å; E299-N303 PolarHBondContact O-ND2 3.37Å |
| 300 | L | 90.5 | Very high | 87.6 | Confident | 20 Ų | 20 | 46.3 Ų | 46.3 | 11% | 0.105 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.5 | -53.3 | 172.5 | 177.6 | 62.9 | 0 | 0 | 0 | 110.9 | I290 T297 K302 N303 I304 | I290-L300 HydrophobicContact CB-CD1 3.76Å; I290-L300 HydrophobicContact CG2-CD1 3.89Å; T297-L300 WeakPolarHBondContact O-CA 3.3Å; T297-L300 WeakPolarHBondContact O-CB 3.45Å; T297-L300 PolarHBondContact O-N 3.14Å; T297-L300 PolarHBondContact OG1-N 3.12Å; L300-K302 PolarHBondContact O-N 3.5Å; L300-N303 PolarHBondContact O-N 3.41Å; L300-I304 HydrophobicContact CD1-CD1 4.12Å; L300-I304 HydrophobicContact CG-CD1 3.96Å; L300-I304 WeakPolarHBondContact O-CG1 3.47Å; L300-I304 PolarHBondContact O-N 3.35Å |
| 301 | Y | 92.8 | Very high | 88.1 | Confident | 23 Ų | 23 | 46.2 Ų | 46.2 | 9% | 0.09 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.2 | -38.2 | -178.9 | -68.9 | -63.8 | 0 | 0 | 0 | 112.5 | D296 T297 I304 G305 V453 E454 V457 K461 | D296-Y301 HydrophobicContact CB-CE2 3.85Å; T297-Y301 VanDerWaalsContact O-CD2 3.32Å; T297-Y301 WeakPolarHBondContact O-CD2 3.38Å; T297-Y301 PolarHBondContact O-N 2.94Å; Y301-I304 HydrophobicContact CD1-CD1 4.24Å; Y301-I304 PolarHBondContact O-N 3.19Å; Y301-G305 PolarHBondContact O-N 2.94Å; Y301-V453 WeakPolarHBondContact O-CG1 3.25Å; Y301-E454 HydrophobicContact CD1-CB 4.46Å; Y301-E454 HydrophobicContact CD1-CG 3.81Å; Y301-E454 HydrophobicContact CD2-CG 3.66Å; Y301-E454 HydrophobicContact CE1-CG 4.28Å; Y301-E454 HydrophobicContact CE2-CG 4.13Å; Y301-E454 HydrophobicContact CG-CG 3.48Å; Y301-E454 VanDerWaalsContact CG-CG 3.48Å; Y301-V457 HydrophobicContact CE1-CB 3.99Å; Y301-V457 HydrophobicContact CE1-CG1 3.86Å; Y301-K461 PolarHBondContact OH-NZ 3.3Å |
| 302 | K | 92.3 | Very high | 88.7 | Confident | 94 Ų | 94 | 47 Ų | 47 | 41% | 0.409 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -56.5 | -51.4 | 169.5 | 177.9 | 174.2 | 178.5 | -177.9 | 0 | 111.7 | Q298 L300 I304 G305 D306 Y446 | Q298-K302 WeakPolarHBondContact O-CB 3.42Å; Q298-K302 PolarHBondContact O-N 2.65Å; L300-K302 PolarHBondContact O-N 3.5Å; K302-I304 VanDerWaalsContact C-N 3.25Å; K302-I304 PolarHBondContact O-N 3.39Å; K302-G305 PolarHBondContact O-N 3.45Å; K302-G305 VanDerWaalsContact O-N 3.13Å; K302-D306 VanDerWaalsContact CE-OD2 3.24Å; K302-D306 WeakPolarHBondContact CE-OD2 3.36Å; K302-D306 WeakPolarHBondContact O-CB 3.29Å; K302-D306 VanDerWaalsContact O-CG 3.28Å; K302-D306 PolarHBondContact O-N 3.36Å; K302-Y446 WeakPolarHBondContact CE-OH 3.45Å |
| 303 | N | 92.9 | Very high | 89.3 | Confident | 10 Ų | 10 | 46.8 Ų | 46.8 | 5% | 0.053 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.8 | -30.6 | -179.8 | -83.4 | -64 | 0 | 0 | 0 | 112.8 | T269 C270 P288 I290 E299 L300 C307 | T269-N303 WeakPolarHBondContact CA-OD1 3.37Å; C270-N303 PolarHBondContact SG-O 3.02Å; P288-N303 HydrophobicContact CG-CB 4.05Å; P288-N303 WeakPolarHBondContact CG-OD1 3.44Å; I290-N303 HydrophobicContact CG2-CB 3.6Å; E299-N303 WeakPolarHBondContact O-CB 3.49Å; E299-N303 PolarHBondContact O-N 3.1Å; E299-N303 PolarHBondContact O-ND2 3.37Å; L300-N303 PolarHBondContact O-N 3.41Å; N303-C307 WeakPolarHBondContact O-CB 3.31Å; N303-C307 PolarHBondContact O-N 3.2Å |
| 304 | I | 95.6 | Very high | 90.6 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.015 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.7 | -49.7 | 170.8 | -67.8 | 162.4 | 0 | 0 | 0 | 110.4 | I290 L300 Y301 K302 D306 C307 Y308 V341 V453 V457 | I290-I304 HydrophobicContact CB-CG1 4.34Å; I290-I304 HydrophobicContact CD1-CG1 4.38Å; I290-I304 HydrophobicContact CG2-CG1 4.48Å; L300-I304 HydrophobicContact CD1-CD1 4.12Å; L300-I304 HydrophobicContact CG-CD1 3.96Å; L300-I304 WeakPolarHBondContact O-CG1 3.47Å; L300-I304 PolarHBondContact O-N 3.35Å; Y301-I304 HydrophobicContact CD1-CD1 4.24Å; Y301-I304 PolarHBondContact O-N 3.19Å; K302-I304 VanDerWaalsContact C-N 3.25Å; K302-I304 PolarHBondContact O-N 3.39Å; I304-D306 PolarHBondContact O-N 2.95Å; I304-C307 WeakPolarHBondContact O-CA 3.28Å; I304-C307 VanDerWaalsContact O-CB 3.26Å; I304-C307 WeakPolarHBondContact O-CB 3.05Å; I304-C307 PolarHBondContact O-N 3.42Å; I304-C307 VanDerWaalsContact O-N 3.08Å; I304-Y308 HydrophobicContact CG2-CD2 3.87Å; I304-Y308 HydrophobicContact CG2-CE2 3.95Å; I304-Y308 WeakPolarHBondContact O-CD2 3.36Å; I304-Y308 PolarHBondContact O-N 2.94Å; I304-V341 HydrophobicContact CD1-CG2 3.89Å; I304-V341 HydrophobicContact CG1-CG1 4.44Å; I304-V341 HydrophobicContact CG1-CG2 4.12Å; I304-V341 HydrophobicContact CG2-CG1 3.8Å; I304-V453 HydrophobicContact CB-CG1 4.01Å; I304-V453 HydrophobicContact CG2-CG1 3.68Å; I304-V457 HydrophobicContact CD1-CG2 4.37Å; I304-V457 HydrophobicContact CG2-CG2 4.16Å |
| 305 | G | 95.5 | Very high | 91.9 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.2 | -45 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | Y301 K302 C307 Y308 L309 Y449 | Y301-G305 PolarHBondContact O-N 2.94Å; K302-G305 PolarHBondContact O-N 3.45Å; K302-G305 VanDerWaalsContact O-N 3.13Å; G305-C307 VanDerWaalsContact C-N 3.25Å; G305-C307 PolarHBondContact O-N 3.25Å; G305-Y308 PolarHBondContact O-N 2.78Å; G305-L309 WeakPolarHBondContact O-CG 3.21Å; G305-L309 PolarHBondContact O-N 3.29Å; G305-Y449 PolarHBondContact O-OH 3.46Å |
| 306 | D | 94.3 | Very high | 93.1 | Very high | 32 Ų | 32 | 33.7 Ų | 33.7 | 17% | 0.171 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.4 | -33 | 175.3 | -64.9 | -11.9 | 0 | 0 | 0 | 111.1 | K302 I304 L310 Y446 | K302-D306 VanDerWaalsContact CE-OD2 3.24Å; K302-D306 WeakPolarHBondContact CE-OD2 3.36Å; K302-D306 WeakPolarHBondContact O-CB 3.29Å; K302-D306 VanDerWaalsContact O-CG 3.28Å; K302-D306 PolarHBondContact O-N 3.36Å; I304-D306 PolarHBondContact O-N 2.95Å; D306-L310 WeakPolarHBondContact O-CB 3.5Å; D306-L310 WeakPolarHBondContact O-CG 3.37Å; D306-L310 PolarHBondContact O-N 3.44Å; D306-Y446 PolarHBondContact OD1-OH 3.06Å |
| 307 | C | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.6 | -44.4 | 172.7 | -168.8 | 0 | 0 | 0 | 0 | 112.6 | I290 N303 I304 G305 L310 S311 | I290-C307 HydrophobicContact CD1-CB 4.43Å; N303-C307 WeakPolarHBondContact O-CB 3.31Å; N303-C307 PolarHBondContact O-N 3.2Å; I304-C307 WeakPolarHBondContact O-CA 3.28Å; I304-C307 VanDerWaalsContact O-CB 3.26Å; I304-C307 WeakPolarHBondContact O-CB 3.05Å; I304-C307 PolarHBondContact O-N 3.42Å; I304-C307 VanDerWaalsContact O-N 3.08Å; G305-C307 VanDerWaalsContact C-N 3.25Å; G305-C307 PolarHBondContact O-N 3.25Å; C307-L310 PolarHBondContact O-N 3.18Å; C307-S311 PolarHBondContact O-N 2.91Å; C307-S311 PolarHBondContact O-OG 2.61Å |
| 308 | Y | 97 | Very high | 94.4 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.2 | -46.8 | 176.2 | -95.5 | -93.1 | 0 | 0 | 0 | 111.6 | I304 G305 S311 A312 V341 F342 N425 L427 F428 Y449 | I304-Y308 HydrophobicContact CG2-CD2 3.87Å; I304-Y308 HydrophobicContact CG2-CE2 3.95Å; I304-Y308 WeakPolarHBondContact O-CD2 3.36Å; I304-Y308 PolarHBondContact O-N 2.94Å; G305-Y308 PolarHBondContact O-N 2.78Å; Y308-S311 PolarHBondContact O-N 3.49Å; Y308-S311 PolarHBondContact O-OG 2.84Å; Y308-A312 PolarHBondContact O-N 3.45Å; Y308-V341 HydrophobicContact CE2-CG1 3.98Å; Y308-V341 PolarHBondContact OH-O 2.97Å; Y308-F342 HydrophobicContact CD2-CE1 4.26Å; Y308-F342 HydrophobicContact CE1-CD1 4.38Å; Y308-F342 AromaticContact CE2-CD1 3.89Å; Y308-F342 HydrophobicContact CE2-CD1 3.89Å; Y308-F342 AromaticContact CE2-CE1 3.84Å; Y308-F342 HydrophobicContact CE2-CE1 3.84Å; Y308-F342 AromaticContact CZ-CD1 3.71Å; Y308-F342 WeakPolarHBondContact OH-CA 3.34Å; Y308-N425 WeakPolarHBondContact CE1-OD1 3.42Å; Y308-N425 PolarHBondContact OH-ND2 2.8Å; Y308-L427 HydrophobicContact CD1-CB 4.05Å; Y308-L427 HydrophobicContact CD1-CD2 4Å; Y308-L427 HydrophobicContact CD1-CG 3.77Å; Y308-L427 HydrophobicContact CD2-CD2 3.83Å; Y308-L427 HydrophobicContact CD2-CG 4.41Å; Y308-L427 HydrophobicContact CE1-CB 3.77Å; Y308-L427 HydrophobicContact CE1-CD2 3.87Å; Y308-L427 HydrophobicContact CE1-CG 3.87Å; Y308-L427 HydrophobicContact CE2-CD2 3.67Å; Y308-L427 HydrophobicContact CE2-CG 4.49Å; Y308-L427 HydrophobicContact CG-CD2 3.99Å; Y308-L427 HydrophobicContact CG-CG 4.06Å; Y308-F428 AromaticContact CD1-CD1 3.48Å; Y308-F428 HydrophobicContact CD1-CD1 3.48Å; Y308-F428 VanDerWaalsContact CD1-CD1 3.48Å; Y308-F428 AromaticContact CD1-CD2 3.8Å; Y308-F428 HydrophobicContact CD1-CD2 3.8Å; Y308-F428 AromaticContact CD1-CE1 3.38Å; Y308-F428 HydrophobicContact CD1-CE1 3.38Å; Y308-F428 AromaticContact CD1-CE2 3.73Å; Y308-F428 HydrophobicContact CD1-CE2 3.73Å; Y308-F428 AromaticContact CD1-CG 3.68Å; Y308-F428 HydrophobicContact CD1-CG 3.68Å; Y308-F428 AromaticContact CD1-CZ 3.5Å; Y308-F428 HydrophobicContact CD1-CZ 3.5Å; Y308-F428 VanDerWaalsContact CD1-CZ 3.5Å; Y308-F428 HydrophobicContact CE1-CD1 4.04Å; Y308-F428 AromaticContact CE1-CD2 3.44Å; Y308-F428 HydrophobicContact CE1-CD2 3.44Å; Y308-F428 VanDerWaalsContact CE1-CD2 3.44Å; Y308-F428 AromaticContact CE1-CE1 3.9Å; Y308-F428 HydrophobicContact CE1-CE1 3.9Å; Y308-F428 AromaticContact CE1-CE2 3.3Å; Y308-F428 HydrophobicContact CE1-CE2 3.3Å; Y308-F428 AromaticContact CE1-CG 3.81Å; Y308-F428 HydrophobicContact CE1-CG 3.81Å; Y308-F428 AromaticContact CE1-CZ 3.53Å; Y308-F428 HydrophobicContact CE1-CZ 3.53Å; Y308-F428 HydrophobicContact CG-CD1 4.41Å; Y308-F428 HydrophobicContact CG-CE1 4.02Å; Y308-F428 HydrophobicContact CG-CZ 4.2Å; Y308-Y449 WeakPolarHBondContact CB-OH 3.43Å |
| 309 | L | 95.3 | Very high | 95 | Very high | 25 Ų | 25 | 21.8 Ų | 21.8 | 13% | 0.131 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.1 | -52.9 | 173.7 | -72.5 | 164.7 | 0 | 0 | 0 | 111.3 | G305 S311 A312 A431 L434 Q435 Y446 Y449 | G305-L309 WeakPolarHBondContact O-CG 3.21Å; G305-L309 PolarHBondContact O-N 3.29Å; L309-S311 PolarHBondContact O-N 3.47Å; L309-A312 PolarHBondContact O-N 3.4Å; L309-A431 HydrophobicContact CD2-CB 3.95Å; L309-A431 HydrophobicContact CG-CB 4.39Å; L309-L434 HydrophobicContact CD2-CB 4.47Å; L309-L434 HydrophobicContact CD2-CD2 4.16Å; L309-Q435 HydrophobicContact CD2-CG 4.12Å; L309-Q435 PolarHBondContact O-NE2 3.09Å; L309-Y446 HydrophobicContact CD1-CE2 4.17Å; L309-Y449 HydrophobicContact CD1-CD1 4.27Å; L309-Y449 HydrophobicContact CD1-CE1 3.69Å; L309-Y449 HydrophobicContact CD2-CE1 4.37Å; L309-Y449 HydrophobicContact CG-CE1 3.84Å |
| 310 | L | 94.8 | Very high | 95.4 | Very high | 57 Ų | 57 | 15.9 Ų | 15.9 | 30% | 0.298 | 8% | 0.082 | S | C | . | . | H | α-helix | trans | -66 | -9.3 | -177.5 | -69 | 177.3 | 0 | 0 | 0 | 114.9 | C270 V272 V285 D306 C307 | C270-L310 HydrophobicContact CB-CD1 3.84Å; V272-L310 HydrophobicContact CB-CB 4.42Å; V272-L310 HydrophobicContact CB-CD1 4.38Å; V272-L310 HydrophobicContact CB-CD2 4.11Å; V272-L310 HydrophobicContact CG1-CD2 3.75Å; V285-L310 HydrophobicContact CG1-CB 4.36Å; V285-L310 HydrophobicContact CG2-CB 4.16Å; D306-L310 WeakPolarHBondContact O-CB 3.5Å; D306-L310 WeakPolarHBondContact O-CG 3.37Å; D306-L310 PolarHBondContact O-N 3.44Å; C307-L310 PolarHBondContact O-N 3.18Å |
| 311 | S | 94.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.007 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -122.2 | 0.8 | -179.5 | 57.6 | 0 | 0 | 0 | 0 | 115.2 | R233 I235 C307 Y308 L309 G314 F428 | R233-S311 WeakPolarHBondContact CD-O 3.47Å; R233-S311 PolarHBondContact NE-O 3.16Å; I235-S311 WeakPolarHBondContact CD1-OG 3.44Å; C307-S311 PolarHBondContact O-N 2.91Å; C307-S311 PolarHBondContact O-OG 2.61Å; Y308-S311 PolarHBondContact O-N 3.49Å; Y308-S311 PolarHBondContact O-OG 2.84Å; L309-S311 PolarHBondContact O-N 3.47Å; S311-G314 CarbonylContact O-C 3.52Å; S311-G314 VanDerWaalsContact O-C 3.29Å; S311-G314 VanDerWaalsContact O-CA 3.3Å; S311-G314 WeakPolarHBondContact O-CA 3.32Å; S311-G314 PolarHBondContact O-N 3.43Å; S311-F428 WeakPolarHBondContact OG-CE1 3.4Å |
| 312 | A | 94.5 | Very high | 95.7 | Very high | 16 Ų | 16 | 14 Ų | 14 | 13% | 0.132 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 146.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y308 L309 G314 A431 | Y308-A312 PolarHBondContact O-N 3.45Å; L309-A312 PolarHBondContact O-N 3.4Å; A312-G314 VanDerWaalsContact CA-N 3.32Å; A312-A431 HydrophobicContact CB-CB 4.19Å |
| 313 | P | 95.3 | Very high | 95.5 | Very high | 31 Ų | 31 | 9.6 Ų | 9.6 | 20% | 0.201 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -76 | 12.9 | -2 | 32.7 | -37.9 | 0 | 0 | 0 | 115.1 | F422 S424 F428 | P313-F422 HydrophobicContact CB-CE2 3.85Å; P313-F422 HydrophobicContact CB-CZ 4.05Å; P313-F422 HydrophobicContact CG-CE1 4.31Å; P313-F422 HydrophobicContact CG-CE2 3.76Å; P313-F422 HydrophobicContact CG-CZ 3.6Å; P313-F422 VanDerWaalsContact O-CE2 3.25Å; P313-F422 WeakPolarHBondContact O-CE2 3.39Å; P313-S424 PolarHBondContact O-OG 3.03Å; P313-F428 WeakPolarHBondContact O-CB 3.48Å |
| 314 | G | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.052 | C | C | . | . | trans | 141.3 | 151.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R233 S311 A312 H423 | R233-G314 PolarHBondContact NE-O 2.99Å; R233-G314 PolarHBondContact NH2-O 3.33Å; S311-G314 CarbonylContact O-C 3.52Å; S311-G314 VanDerWaalsContact O-C 3.29Å; S311-G314 VanDerWaalsContact O-CA 3.3Å; S311-G314 WeakPolarHBondContact O-CA 3.32Å; S311-G314 PolarHBondContact O-N 3.43Å; A312-G314 VanDerWaalsContact CA-N 3.32Å; G314-H423 CarbonylContact C-O 3.6Å; G314-H423 WeakPolarHBondContact CA-O 3.38Å | ||
| 315 | P | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 6% | 0.057 | C | C | . | . | trans | -71.7 | 137.4 | -176.9 | 28.8 | -35.7 | 0 | 0 | 0 | 112.5 | I235 V317 L318 F422 H423 F428 | I235-P315 HydrophobicContact CD1-CB 3.72Å; I235-P315 HydrophobicContact CD1-CG 3.72Å; I235-P315 HydrophobicContact CG1-CB 3.93Å; I235-P315 HydrophobicContact CG1-CG 4.47Å; P315-V317 VanDerWaalsContact C-N 3.29Å; P315-L318 HydrophobicContact CB-CD1 4.24Å; P315-L318 HydrophobicContact CB-CG 4.46Å; P315-L318 HydrophobicContact CG-CD1 3.7Å; P315-L318 HydrophobicContact CG-CG 4.09Å; P315-F422 WeakPolarHBondContact O-CB 3.41Å; P315-H423 WeakPolarHBondContact CD-O 3.4Å; P315-H423 HydrophobicContact CG-CB 4.27Å; P315-H423 PolarHBondContact O-N 2.81Å; P315-F428 HydrophobicContact CG-CZ 4.3Å | ||
| 316 | H | 96.8 | Very high | 93.4 | Very high | 16 Ų | 16 | 11.3 Ų | 11.3 | 7% | 0.074 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -71.4 | -33 | 166.1 | -63.6 | 80 | 0 | 0 | 0 | 110.6 | A231 L232 R233 H349 F422 | A231-H316 PolarHBondContact O-CE1 2.97Å; L232-H316 HydrophobicContact CD1-CB 3.74Å; R233-H316 PolarHBondContact N-ND1 3.13Å; R233-H316 VanDerWaalsContact N-ND1 3.13Å; R233-H316 PolarHBondContact NH1-CE1 2.94Å; R233-H316 PolarHBondContact O-N 3.14Å; H316-H349 PolarHBondContact O-ND1 3.41Å; H316-F422 HydrophobicContact CB-CB 4.48Å |
| 317 | V | 97.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 10.5 Ų | 10.5 | 1% | 0.006 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 130.8 | -173.5 | -173.2 | 0 | 0 | 0 | 0 | 110 | L232 R233 I234 I235 P315 L319 H349 V351 I411 L414 | L232-V317 HydrophobicContact CD1-CG2 4.36Å; R233-V317 PolarHBondContact O-N 2.99Å; I234-V317 WeakPolarHBondContact CA-O 3.18Å; I234-V317 HydrophobicContact CG1-CB 4.3Å; I234-V317 HydrophobicContact CG2-CB 4.36Å; I234-V317 HydrophobicContact CG2-CG1 4.45Å; I235-V317 PolarHBondContact N-O 3.32Å; P315-V317 VanDerWaalsContact C-N 3.29Å; V317-L319 HydrophobicContact CG1-CB 4.43Å; V317-H349 WeakPolarHBondContact CA-O 3.14Å; V317-V351 HydrophobicContact CG1-CB 4.13Å; V317-V351 HydrophobicContact CG1-CG2 3.83Å; V317-I411 HydrophobicContact CG1-CD1 4.43Å; V317-I411 HydrophobicContact CG1-CG1 4.38Å; V317-I411 HydrophobicContact CG2-CB 4.38Å; V317-I411 HydrophobicContact CG2-CD1 3.97Å; V317-I411 HydrophobicContact CG2-CG1 3.8Å; V317-I411 HydrophobicContact CG2-CG2 3.79Å; V317-L414 HydrophobicContact CG2-CD2 4.34Å |
| 318 | L | 98.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 107.5 | 163 | -66.4 | 90.6 | 0 | 0 | 0 | 107.7 | P315 L320 V338 F342 A346 H349 V350 V351 H423 | P315-L318 HydrophobicContact CB-CD1 4.24Å; P315-L318 HydrophobicContact CB-CG 4.46Å; P315-L318 HydrophobicContact CG-CD1 3.7Å; P315-L318 HydrophobicContact CG-CG 4.09Å; L318-L320 PolarHBondContact O-N 3.45Å; L318-V338 HydrophobicContact CD2-CG1 4.03Å; L318-F342 HydrophobicContact CD2-CB 4.39Å; L318-F342 HydrophobicContact CD2-CD2 3.37Å; L318-F342 HydrophobicContact CD2-CE2 3.66Å; L318-F342 HydrophobicContact CD2-CG 3.9Å; L318-F342 HydrophobicContact CD2-CZ 4.41Å; L318-A346 HydrophobicContact CD1-CB 4.47Å; L318-A346 HydrophobicContact CD2-CB 4.41Å; L318-H349 HydrophobicContact CD1-CB 3.94Å; L318-H349 PolarHBondContact N-O 3.33Å; L318-V350 HydrophobicContact CB-CG2 3.91Å; L318-V350 VanDerWaalsContact O-CA 3.29Å; L318-V350 WeakPolarHBondContact O-CA 3.49Å; L318-V351 PolarHBondContact O-N 2.86Å; L318-H423 HydrophobicContact CD1-CB 4.38Å |
| 319 | L | 98.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 99.7 | -172.8 | -164 | 60.4 | 0 | 0 | 0 | 109.4 | I234 I235 L236 V237 I251 V317 V321 V351 L353 L407 | I234-L319 HydrophobicContact CG2-CB 3.8Å; I234-L319 HydrophobicContact CG2-CD2 4.07Å; I235-L319 PolarHBondContact O-N 3.3Å; L236-L319 HydrophobicContact CD2-CB 4.12Å; L236-L319 HydrophobicContact CD2-CD2 3.88Å; L236-L319 HydrophobicContact CD2-CG 4.48Å; V237-L319 PolarHBondContact N-O 3.17Å; I251-L319 HydrophobicContact CD1-CD2 3.41Å; I251-L319 VanDerWaalsContact CD1-CD2 3.41Å; V317-L319 HydrophobicContact CG1-CB 4.43Å; L319-V321 PolarHBondContact O-N 3.35Å; L319-V351 CarbonylContact C-O 3.59Å; L319-V351 WeakPolarHBondContact CA-O 3.24Å; L319-V351 HydrophobicContact CD1-CB 3.83Å; L319-V351 HydrophobicContact CD1-CG1 3.84Å; L319-L353 HydrophobicContact CD1-CB 3.91Å; L319-L353 HydrophobicContact CD1-CD1 4.18Å; L319-L353 HydrophobicContact CD2-CD1 3.77Å; L319-L353 HydrophobicContact CG-CB 4.05Å; L319-L353 HydrophobicContact CG-CD1 4.08Å; L319-L407 HydrophobicContact CD1-CD1 3.84Å; L319-L407 HydrophobicContact CD2-CD2 4.03Å |
| 320 | L | 98 | Very high | 90.9 | Very high | 4 Ų | 4 | 18.2 Ų | 18.2 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 100.7 | -175.8 | 176.2 | 63 | 0 | 0 | 0 | 110.1 | V237 L318 I322 I335 V350 V351 L353 L380 | V237-L320 HydrophobicContact CG2-CB 3.92Å; V237-L320 HydrophobicContact CG2-CD1 3.96Å; L318-L320 PolarHBondContact O-N 3.45Å; L320-I322 HydrophobicContact CD2-CD1 4.08Å; L320-I322 HydrophobicContact CG-CD1 4.1Å; L320-I322 HydrophobicContact CG-CG1 4.06Å; L320-I335 HydrophobicContact CD1-CG1 4.36Å; L320-I335 HydrophobicContact CD2-CD1 4.24Å; L320-I335 HydrophobicContact CD2-CG1 3.64Å; L320-V350 HydrophobicContact CB-CG1 3.86Å; L320-V350 HydrophobicContact CD2-CG1 4.31Å; L320-V351 PolarHBondContact N-O 3.01Å; L320-L353 PolarHBondContact O-N 3.33Å; L320-L380 HydrophobicContact CD2-CD1 3.86Å; L320-L380 HydrophobicContact CD2-CD2 3.82Å; L320-L380 HydrophobicContact CD2-CG 4.45Å |
| 321 | V | 96.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 113.4 | -175.2 | -174.2 | 0 | 0 | 0 | 0 | 110.2 | V237 C242 K244 L319 L353 T355 | V237-V321 PolarHBondContact O-N 2.98Å; C242-V321 HydrophobicContact CB-CG1 4.24Å; C242-V321 WeakPolarHBondContact CB-O 3.44Å; C242-V321 PolarHBondContact SG-O 3.26Å; K244-V321 HydrophobicContact CG-CB 4.12Å; K244-V321 HydrophobicContact CG-CG2 4.17Å; L319-V321 PolarHBondContact O-N 3.35Å; V321-L353 WeakPolarHBondContact CA-O 3.42Å; V321-L353 HydrophobicContact CG1-CD2 4.27Å; V321-T355 HydrophobicContact CG1-CG2 3.59Å |
| 322 | I | 92.4 | Very high | 90.4 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 151.1 | 179.8 | -54.5 | -176 | 0 | 0 | 0 | 108.2 | L320 F327 I352 L353 F354 T355 L380 | L320-I322 HydrophobicContact CD2-CD1 4.08Å; L320-I322 HydrophobicContact CG-CD1 4.1Å; L320-I322 HydrophobicContact CG-CG1 4.06Å; I322-F327 HydrophobicContact CD1-CD2 4.03Å; I322-F327 HydrophobicContact CD1-CE2 3.95Å; I322-F327 HydrophobicContact CG2-CD2 4.35Å; I322-I352 HydrophobicContact CD1-CG2 3.8Å; I322-I352 HydrophobicContact CG1-CG2 4.27Å; I322-L353 PolarHBondContact N-O 3.48Å; I322-F354 HydrophobicContact CB-CD1 4.32Å; I322-F354 HydrophobicContact CB-CE1 4.49Å; I322-F354 HydrophobicContact CG2-CD1 4.43Å; I322-F354 HydrophobicContact CG2-CE1 4.41Å; I322-F354 CarbonylContact O-C 3.58Å; I322-F354 VanDerWaalsContact O-CA 3.3Å; I322-F354 WeakPolarHBondContact O-CA 2.99Å; I322-T355 PolarHBondContact O-N 2.87Å; I322-T355 PolarHBondContact O-OG1 2.51Å; I322-L380 HydrophobicContact CD1-CD2 3.69Å |
| 323 | Q | 87.8 | Confident | 90.2 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.009 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 133.2 | 170.8 | 175.8 | 171.1 | 20.8 | 0 | 0 | 110.5 | R123 R326 | R123-Q323 VanDerWaalsContact CZ-OE1 3.31Å; R123-Q323 VanDerWaalsContact NH2-OE1 3.11Å; Q323-R326 HydrophobicContact CB-CB 4.45Å; Q323-R326 HydrophobicContact CG-CB 4.47Å; Q323-R326 CarbonylContact O-C 3.29Å; Q323-R326 PolarHBondContact O-N 2.91Å |
| 324 | L | 86.4 | Confident | 90.2 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 143.9 | 172.8 | -166 | 74.9 | 0 | 0 | 0 | 111.5 | L57 R326 F354 T355 H356 D359 L360 L365 Y368 | L57-L324 HydrophobicContact CD1-CD2 4.48Å; L57-L324 HydrophobicContact CD1-CG 4.43Å; L57-L324 HydrophobicContact CD2-CD2 3.73Å; L57-L324 HydrophobicContact CD2-CG 4.01Å; L324-R326 PolarHBondContact O-N 3.22Å; L324-R326 VanDerWaalsContact O-N 3.15Å; L324-F354 HydrophobicContact CB-CB 4.28Å; L324-F354 HydrophobicContact CD1-CB 3.84Å; L324-F354 HydrophobicContact CD1-CD1 4.18Å; L324-F354 HydrophobicContact CD1-CG 4.02Å; L324-T355 VanDerWaalsContact CB-O 3.29Å; L324-T355 WeakPolarHBondContact CB-O 3.32Å; L324-T355 PolarHBondContact N-O 2.89Å; L324-H356 VanDerWaalsContact CD2-O 3.24Å; L324-H356 WeakPolarHBondContact CD2-O 3.43Å; L324-D359 HydrophobicContact CD2-CB 4.23Å; L324-L360 HydrophobicContact CD1-CD2 4.32Å; L324-L360 HydrophobicContact CD2-CB 4.49Å; L324-L360 HydrophobicContact CD2-CD2 3.7Å; L324-L360 HydrophobicContact CD2-CG 3.57Å; L324-L365 HydrophobicContact CD1-CD1 3.88Å; L324-Y368 HydrophobicContact CD1-CD1 3.64Å; L324-Y368 HydrophobicContact CD1-CD2 4.42Å; L324-Y368 HydrophobicContact CD1-CE1 3.56Å; L324-Y368 HydrophobicContact CD1-CE2 4.35Å; L324-Y368 HydrophobicContact CD1-CG 4.09Å |
| 325 | G | 78.4 | Confident | 90.1 | Very high | 11 Ų | 11 | 19.2 Ų | 19.2 | 11% | 0.113 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 8.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115 | G58 Y368 | G58-G325 CarbonylContact O-C 3.56Å; G325-Y368 WeakPolarHBondContact CA-OH 3.26Å; G325-Y368 PolarHBondContact N-OH 2.88Å |
| 326 | R | 74.5 | Confident | 90 | Very high | 38 Ų | 38 | 23 Ų | 23 | 14% | 0.143 | 13% | 0.127 | C | C | . | . | B | Isolated β-bridge | trans | -148.1 | 91.8 | -179.2 | -69.6 | -172.8 | -179 | 164.5 | -6.7 | 113 | G37 Q323 L324 | G37-R326 VanDerWaalsContact O-CZ 3.29Å; G37-R326 PolarHBondContact O-NE 3.12Å; G37-R326 PolarHBondContact O-NH2 3.13Å; Q323-R326 HydrophobicContact CB-CB 4.45Å; Q323-R326 HydrophobicContact CG-CB 4.47Å; Q323-R326 CarbonylContact O-C 3.29Å; Q323-R326 PolarHBondContact O-N 2.91Å; L324-R326 PolarHBondContact O-N 3.22Å; L324-R326 VanDerWaalsContact O-N 3.15Å |
| 327 | F | 83.6 | Confident | 90 | Very high | 14 Ų | 14 | 23.2 Ų | 23.2 | 6% | 0.061 | 13% | 0.127 | C | C | . | . | trans | -102.6 | 110.5 | 165.4 | -170.1 | -88 | 0 | 0 | 0 | 109.6 | A59 I322 D331 T332 I335 N374 L377 L380 | A59-F327 HydrophobicContact CB-CB 4.08Å; I322-F327 HydrophobicContact CD1-CD2 4.03Å; I322-F327 HydrophobicContact CD1-CE2 3.95Å; I322-F327 HydrophobicContact CG2-CD2 4.35Å; F327-D331 HydrophobicContact CD2-CB 4.12Å; F327-D331 HydrophobicContact CE2-CB 3.97Å; F327-D331 HydrophobicContact CZ-CB 4.31Å; F327-T332 WeakPolarHBondContact CE1-OG1 3.45Å; F327-I335 HydrophobicContact CE2-CD1 3.72Å; F327-I335 HydrophobicContact CZ-CD1 3.58Å; F327-N374 PolarHBondContact O-ND2 2.95Å; F327-L377 HydrophobicContact CB-CB 4.21Å; F327-L377 HydrophobicContact CB-CD2 4.34Å; F327-L377 HydrophobicContact CD1-CB 4.27Å; F327-L377 HydrophobicContact CD2-CB 4.15Å; F327-L377 HydrophobicContact CD2-CD1 3.73Å; F327-L377 HydrophobicContact CD2-CG 4.44Å; F327-L377 HydrophobicContact CE2-CD1 4.2Å; F327-L377 HydrophobicContact CG-CB 3.93Å; F327-L377 HydrophobicContact CG-CD1 4.29Å; F327-L380 HydrophobicContact CE2-CD2 3.85Å | ||
| 328 | T | 81.4 | Confident | 89.9 | Confident | 51 Ų | 51 | 23.3 Ų | 23.3 | 31% | 0.313 | 13% | 0.128 | S | C | . | . | trans | -114.3 | 167.4 | -171.5 | 75.6 | 0 | 0 | 0 | 0 | 112.1 | Q330 D331 T332 | T328-Q330 PolarHBondContact O-N 3.49Å; T328-Q330 VanDerWaalsContact O-N 3.09Å; T328-Q330 PolarHBondContact OG1-N 2.96Å; T328-D331 WeakPolarHBondContact CA-OD2 3.36Å; T328-D331 WeakPolarHBondContact CB-OD2 3.46Å; T328-D331 PolarHBondContact N-OD2 2.85Å; T328-D331 WeakPolarHBondContact O-CA 3.33Å; T328-D331 WeakPolarHBondContact O-CB 3.43Å; T328-D331 PolarHBondContact O-N 3.49Å; T328-D331 PolarHBondContact OG1-OD2 3.11Å; T328-T332 PolarHBondContact O-N 3.36Å; T328-T332 VanDerWaalsContact O-N 3.14Å; T328-T332 PolarHBondContact O-OG1 2.73Å | ||
| 329 | A | 82.1 | Confident | 89.9 | Confident | 57 Ų | 57 | 24.8 Ų | 24.8 | 47% | 0.471 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -57.2 | -24.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | D331 V333 | A329-D331 VanDerWaalsContact C-N 3.35Å; A329-V333 WeakPolarHBondContact O-CG2 3.3Å; A329-V333 PolarHBondContact O-N 3Å |
| 330 | Q | 83 | Confident | 89.8 | Confident | 80 Ų | 80 | 25.4 Ų | 25.4 | 37% | 0.374 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -71.6 | -30 | 173 | -63.4 | -171.8 | -44.2 | 0 | 0 | 112.4 | K239 T328 A334 | K239-Q330 HydrophobicContact CB-CB 4.48Å; K239-Q330 HydrophobicContact CD-CB 3.51Å; T328-Q330 PolarHBondContact O-N 3.49Å; T328-Q330 VanDerWaalsContact O-N 3.09Å; T328-Q330 PolarHBondContact OG1-N 2.96Å; Q330-A334 PolarHBondContact O-N 3.15Å |
| 331 | D | 88.9 | Confident | 89.7 | Confident | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -73.4 | -41.6 | 174.4 | -54.5 | -80.7 | 0 | 0 | 0 | 109.8 | K239 F327 T328 A329 V333 A334 I335 | K239-D331 VanDerWaalsContact CD-OD1 3.26Å; K239-D331 WeakPolarHBondContact CD-OD1 3.15Å; K239-D331 WeakPolarHBondContact CE-OD1 2.88Å; K239-D331 WeakPolarHBondContact CE-OD2 3.26Å; F327-D331 HydrophobicContact CD2-CB 4.12Å; F327-D331 HydrophobicContact CE2-CB 3.97Å; F327-D331 HydrophobicContact CZ-CB 4.31Å; T328-D331 WeakPolarHBondContact CA-OD2 3.36Å; T328-D331 WeakPolarHBondContact CB-OD2 3.46Å; T328-D331 PolarHBondContact N-OD2 2.85Å; T328-D331 WeakPolarHBondContact O-CA 3.33Å; T328-D331 WeakPolarHBondContact O-CB 3.43Å; T328-D331 PolarHBondContact O-N 3.49Å; T328-D331 PolarHBondContact OG1-OD2 3.11Å; A329-D331 VanDerWaalsContact C-N 3.35Å; D331-V333 VanDerWaalsContact C-N 3.32Å; D331-V333 PolarHBondContact O-N 3.47Å; D331-A334 WeakPolarHBondContact O-CB 3.49Å; D331-A334 PolarHBondContact O-N 3.29Å; D331-A334 VanDerWaalsContact O-N 3.1Å; D331-I335 VanDerWaalsContact O-CD1 3.26Å; D331-I335 WeakPolarHBondContact O-CD1 3.49Å; D331-I335 VanDerWaalsContact O-CG1 3.3Å; D331-I335 WeakPolarHBondContact O-CG1 3.46Å; D331-I335 PolarHBondContact O-N 3.26Å |
| 332 | T | 91.1 | Very high | 89.7 | Confident | 63 Ų | 63 | 25.3 Ų | 25.3 | 39% | 0.387 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -56 | -43.8 | 169.5 | -46.9 | 0 | 0 | 0 | 0 | 112.2 | F327 T328 I335 R336 | F327-T332 WeakPolarHBondContact CE1-OG1 3.45Å; T328-T332 PolarHBondContact O-N 3.36Å; T328-T332 VanDerWaalsContact O-N 3.14Å; T328-T332 PolarHBondContact O-OG1 2.73Å; T332-I335 PolarHBondContact O-N 3.24Å; T332-R336 PolarHBondContact O-N 3.01Å |
| 333 | V | 91.3 | Very high | 89.9 | Confident | 44 Ų | 44 | 25.6 Ų | 25.6 | 27% | 0.267 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -62.6 | -42.1 | 173.8 | 162.7 | 0 | 0 | 0 | 0 | 111.8 | A329 D331 I335 R336 K337 | A329-V333 WeakPolarHBondContact O-CG2 3.3Å; A329-V333 PolarHBondContact O-N 3Å; D331-V333 VanDerWaalsContact C-N 3.32Å; D331-V333 PolarHBondContact O-N 3.47Å; V333-I335 VanDerWaalsContact C-N 3.33Å; V333-I335 PolarHBondContact O-N 2.7Å; V333-R336 WeakPolarHBondContact O-CB 3.13Å; V333-R336 PolarHBondContact O-N 2.84Å; V333-K337 PolarHBondContact O-N 3.39Å |
| 334 | A | 93.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.5 | -39.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | F291 Q330 D331 K337 V338 | F291-A334 HydrophobicContact CB-CB 3.98Å; F291-A334 WeakPolarHBondContact O-CA 3.47Å; F291-A334 WeakPolarHBondContact O-CB 3.35Å; Q330-A334 PolarHBondContact O-N 3.15Å; D331-A334 WeakPolarHBondContact O-CB 3.49Å; D331-A334 PolarHBondContact O-N 3.29Å; D331-A334 VanDerWaalsContact O-N 3.1Å; A334-K337 PolarHBondContact O-N 3.19Å; A334-V338 WeakPolarHBondContact O-CG2 3.24Å; A334-V338 PolarHBondContact O-N 3.47Å |
| 335 | I | 95.7 | Very high | 90.7 | Very high | 14 Ų | 14 | 29.6 Ų | 29.6 | 7% | 0.072 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64 | -43.4 | 174.5 | -65.4 | 151.1 | 0 | 0 | 0 | 110.9 | L320 F327 D331 T332 V333 K337 V338 K339 M347 L380 | L320-I335 HydrophobicContact CD1-CG1 4.36Å; L320-I335 HydrophobicContact CD2-CD1 4.24Å; L320-I335 HydrophobicContact CD2-CG1 3.64Å; F327-I335 HydrophobicContact CE2-CD1 3.72Å; F327-I335 HydrophobicContact CZ-CD1 3.58Å; D331-I335 VanDerWaalsContact O-CD1 3.26Å; D331-I335 WeakPolarHBondContact O-CD1 3.49Å; D331-I335 VanDerWaalsContact O-CG1 3.3Å; D331-I335 WeakPolarHBondContact O-CG1 3.46Å; D331-I335 PolarHBondContact O-N 3.26Å; T332-I335 PolarHBondContact O-N 3.24Å; V333-I335 VanDerWaalsContact C-N 3.33Å; V333-I335 PolarHBondContact O-N 2.7Å; I335-K337 PolarHBondContact O-N 3.05Å; I335-V338 PolarHBondContact O-N 3.4Å; I335-K339 PolarHBondContact O-N 3.14Å; I335-M347 HydrophobicContact CG2-CE 4.23Å; I335-L380 HydrophobicContact CD1-CD1 3.9Å; I335-L380 HydrophobicContact CD1-CD2 3.76Å; I335-L380 HydrophobicContact CD1-CG 4.26Å; I335-L380 HydrophobicContact CG1-CD1 4.04Å; I335-L380 HydrophobicContact CG1-CD2 4.49Å; I335-L380 HydrophobicContact CG2-CD1 4.21Å |
| 336 | R | 95.2 | Very high | 91.5 | Very high | 80 Ų | 80 | 29.1 Ų | 29.1 | 30% | 0.302 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -58.1 | -48.1 | 172.3 | -168.9 | -167 | 175.7 | 90.8 | 13.7 | 110.8 | T332 V333 V338 K339 E340 L464 E468 | T332-R336 PolarHBondContact O-N 3.01Å; V333-R336 WeakPolarHBondContact O-CB 3.13Å; V333-R336 PolarHBondContact O-N 2.84Å; R336-V338 VanDerWaalsContact C-N 3.32Å; R336-V338 PolarHBondContact O-N 3.1Å; R336-K339 WeakPolarHBondContact O-CA 3.23Å; R336-K339 WeakPolarHBondContact O-CB 3.06Å; R336-K339 PolarHBondContact O-N 2.59Å; R336-E340 WeakPolarHBondContact CD-OE1 3.32Å; R336-E340 HydrophobicContact CG-CG 4.5Å; R336-E340 IonicContact CZ-OE1 3.91Å; R336-E340 IonicContact NE-OE1 3.17Å; R336-E340 PolarHBondContact NE-OE1 2.92Å; R336-E340 WeakPolarHBondContact O-CG 3.35Å; R336-E340 PolarHBondContact O-N 2.94Å; R336-L464 HydrophobicContact CG-CD2 3.83Å; R336-E468 IonicContact CZ-OE1 3.38Å; R336-E468 IonicContact CZ-OE2 2.81Å; R336-E468 VanDerWaalsContact CZ-OE2 3.29Å; R336-E468 IonicContact NH1-OE1 3.64Å; R336-E468 PolarHBondContact NH1-OE1 3.03Å; R336-E468 IonicContact NH1-OE2 3.66Å; R336-E468 PolarHBondContact NH1-OE2 3.2Å; R336-E468 IonicContact NH2-OE1 3.26Å; R336-E468 IonicContact NH2-OE2 2.76Å; R336-E468 PolarHBondContact NH2-OE2 3.43Å |
| 337 | K | 95.5 | Very high | 92.6 | Very high | 21 Ų | 21 | 27.6 Ų | 27.6 | 9% | 0.091 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.1 | -31.6 | 178.1 | -77.9 | -74 | 175.4 | -160.9 | 0 | 113.2 | F291 D296 V333 A334 I335 K339 E340 V341 | F291-K337 HydrophobicContact CB-CB 4.29Å; F291-K337 HydrophobicContact CD1-CB 4.03Å; D296-K337 IonicContact OD1-NZ 3.7Å; V333-K337 PolarHBondContact O-N 3.39Å; A334-K337 PolarHBondContact O-N 3.19Å; I335-K337 PolarHBondContact O-N 3.05Å; K337-K339 VanDerWaalsContact C-N 3.33Å; K337-K339 PolarHBondContact O-N 3.28Å; K337-E340 WeakPolarHBondContact CD-OE2 3.36Å; K337-E340 VanDerWaalsContact CE-OE2 3.3Å; K337-E340 WeakPolarHBondContact CE-OE2 3.3Å; K337-E340 IonicContact NZ-OE2 2.81Å; K337-E340 PolarHBondContact NZ-OE2 3.03Å; K337-E340 PolarHBondContact O-N 2.9Å; K337-V341 VanDerWaalsContact O-CB 3.29Å; K337-V341 WeakPolarHBondContact O-CB 3.32Å; K337-V341 WeakPolarHBondContact O-CG2 3.46Å; K337-V341 PolarHBondContact O-N 3.27Å |
| 338 | V | 96.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.4 | -41.6 | 170.6 | 168.2 | 0 | 0 | 0 | 0 | 111.1 | V237 F291 L318 A334 I335 R336 V341 F342 M347 V350 | V237-V338 HydrophobicContact CB-CG2 3.89Å; V237-V338 HydrophobicContact CG1-CG2 4.37Å; V237-V338 HydrophobicContact CG2-CG2 3.72Å; F291-V338 HydrophobicContact CD1-CG2 3.79Å; F291-V338 HydrophobicContact CE1-CG2 3.82Å; L318-V338 HydrophobicContact CD2-CG1 4.03Å; A334-V338 WeakPolarHBondContact O-CG2 3.24Å; A334-V338 PolarHBondContact O-N 3.47Å; I335-V338 PolarHBondContact O-N 3.4Å; R336-V338 VanDerWaalsContact C-N 3.32Å; R336-V338 PolarHBondContact O-N 3.1Å; V338-V341 PolarHBondContact O-N 3.37Å; V338-F342 HydrophobicContact CG1-CD2 4.34Å; V338-F342 PolarHBondContact O-N 3.5Å; V338-M347 HydrophobicContact CG1-SD 4.23Å; V338-V350 HydrophobicContact CG1-CG2 4.39Å |
| 339 | K | 97 | Very high | 93.9 | Very high | 31 Ų | 31 | 31.5 Ų | 31.5 | 14% | 0.135 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -70.5 | -39 | 176.6 | -58.1 | 179.5 | -162.6 | -168 | 0 | 112.5 | I335 R336 K337 G343 T344 M347 E383 L464 | I335-K339 PolarHBondContact O-N 3.14Å; R336-K339 WeakPolarHBondContact O-CA 3.23Å; R336-K339 WeakPolarHBondContact O-CB 3.06Å; R336-K339 PolarHBondContact O-N 2.59Å; K337-K339 VanDerWaalsContact C-N 3.33Å; K337-K339 PolarHBondContact O-N 3.28Å; K339-G343 CarbonylContact O-C 3.55Å; K339-G343 WeakPolarHBondContact O-CA 3.41Å; K339-G343 PolarHBondContact O-N 3.28Å; K339-T344 HydrophobicContact CB-CG2 4.4Å; K339-M347 HydrophobicContact CD-CG 4.32Å; K339-M347 HydrophobicContact CD-SD 4.45Å; K339-M347 HydrophobicContact CG-CG 4.08Å; K339-M347 HydrophobicContact CG-SD 3.97Å; K339-E383 WeakPolarHBondContact CE-OE1 3.37Å; K339-E383 WeakPolarHBondContact CE-OE2 3.03Å; K339-E383 IonicContact NZ-OE1 3.62Å; K339-E383 PolarHBondContact NZ-OE1 2.86Å; K339-E383 IonicContact NZ-OE2 2.74Å; K339-E383 PolarHBondContact NZ-OE2 3.03Å; K339-L464 HydrophobicContact CB-CD1 4.45Å; K339-L464 HydrophobicContact CB-CD2 4.08Å; K339-L464 HydrophobicContact CD-CD1 4.25Å |
| 340 | E | 95.9 | Very high | 94.7 | Very high | 14 Ų | 14 | 28.8 Ų | 28.8 | 7% | 0.065 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.2 | -38.7 | 173.5 | -66.3 | 178.6 | -169.9 | 0 | 0 | 112.1 | R336 K337 H460 K461 L464 | R336-E340 WeakPolarHBondContact CD-OE1 3.32Å; R336-E340 HydrophobicContact CG-CG 4.5Å; R336-E340 IonicContact CZ-OE1 3.91Å; R336-E340 IonicContact NE-OE1 3.17Å; R336-E340 PolarHBondContact NE-OE1 2.92Å; R336-E340 WeakPolarHBondContact O-CG 3.35Å; R336-E340 PolarHBondContact O-N 2.94Å; K337-E340 WeakPolarHBondContact CD-OE2 3.36Å; K337-E340 VanDerWaalsContact CE-OE2 3.3Å; K337-E340 WeakPolarHBondContact CE-OE2 3.3Å; K337-E340 IonicContact NZ-OE2 2.81Å; K337-E340 PolarHBondContact NZ-OE2 3.03Å; K337-E340 PolarHBondContact O-N 2.9Å; E340-H460 VanDerWaalsContact O-CB 3.23Å; E340-H460 WeakPolarHBondContact O-CB 3.07Å; E340-H460 PolarHBondContact O-ND1 3.2Å; E340-K461 HydrophobicContact CB-CG 3.87Å; E340-K461 HydrophobicContact CG-CG 3.59Å; E340-K461 WeakPolarHBondContact OE2-CE 3.46Å; E340-L464 HydrophobicContact CG-CD2 3.91Å |
| 341 | V | 96.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -79.2 | -45.8 | -177.4 | 171.7 | 0 | 0 | 0 | 0 | 112.3 | F291 I304 Y308 K337 V338 | F291-V341 HydrophobicContact CE1-CB 4.44Å; F291-V341 HydrophobicContact CE1-CG2 4.4Å; I304-V341 HydrophobicContact CD1-CG2 3.89Å; I304-V341 HydrophobicContact CG1-CG1 4.44Å; I304-V341 HydrophobicContact CG1-CG2 4.12Å; I304-V341 HydrophobicContact CG2-CG1 3.8Å; Y308-V341 HydrophobicContact CE2-CG1 3.98Å; Y308-V341 PolarHBondContact OH-O 2.97Å; K337-V341 VanDerWaalsContact O-CB 3.29Å; K337-V341 WeakPolarHBondContact O-CB 3.32Å; K337-V341 WeakPolarHBondContact O-CG2 3.46Å; K337-V341 PolarHBondContact O-N 3.27Å; V338-V341 PolarHBondContact O-N 3.37Å |
| 342 | F | 97.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 0% | 0.004 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -108.8 | -5.4 | -170.9 | -60.9 | -70.6 | 0 | 0 | 0 | 115 | I235 V237 F291 Y308 L318 V338 A346 H423 N425 F428 | I235-F342 HydrophobicContact CD1-CE1 4.01Å; I235-F342 HydrophobicContact CD1-CZ 3.8Å; V237-F342 HydrophobicContact CG1-CE2 4.49Å; F291-F342 AromaticContact CE1-CE2 3.98Å; F291-F342 HydrophobicContact CE1-CE2 3.98Å; F291-F342 AromaticContact CZ-CE2 3.86Å; F291-F342 HydrophobicContact CZ-CE2 3.86Å; Y308-F342 HydrophobicContact CD2-CE1 4.26Å; Y308-F342 HydrophobicContact CE1-CD1 4.38Å; Y308-F342 AromaticContact CE2-CD1 3.89Å; Y308-F342 HydrophobicContact CE2-CD1 3.89Å; Y308-F342 AromaticContact CE2-CE1 3.84Å; Y308-F342 HydrophobicContact CE2-CE1 3.84Å; Y308-F342 AromaticContact CZ-CD1 3.71Å; Y308-F342 WeakPolarHBondContact OH-CA 3.34Å; L318-F342 HydrophobicContact CD2-CB 4.39Å; L318-F342 HydrophobicContact CD2-CD2 3.37Å; L318-F342 HydrophobicContact CD2-CE2 3.66Å; L318-F342 HydrophobicContact CD2-CG 3.9Å; L318-F342 HydrophobicContact CD2-CZ 4.41Å; V338-F342 HydrophobicContact CG1-CD2 4.34Å; V338-F342 PolarHBondContact O-N 3.5Å; F342-A346 HydrophobicContact CB-CB 3.59Å; F342-H423 PolarHBondContact O-CE1 2.76Å; F342-H423 PolarHBondContact O-NE2 2.84Å; F342-N425 PolarHBondContact O-ND2 2.8Å; F342-F428 HydrophobicContact CD1-CE2 4.1Å; F342-F428 HydrophobicContact CD1-CZ 4.05Å; F342-F428 HydrophobicContact CE1-CE2 4.46Å; F342-F428 AromaticContact CE1-CZ 3.95Å; F342-F428 HydrophobicContact CE1-CZ 3.95Å |
| 343 | G | 96.8 | Very high | 96.2 | Very high | 7 Ų | 7 | 21.9 Ų | 21.9 | 7% | 0.072 | 11% | 0.109 | C | C | . | . | trans | 86.7 | 154.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K339 G345 A346 H460 | K339-G343 CarbonylContact O-C 3.55Å; K339-G343 WeakPolarHBondContact O-CA 3.41Å; K339-G343 PolarHBondContact O-N 3.28Å; G343-G345 PolarHBondContact O-N 3.28Å; G343-A346 VanDerWaalsContact O-CB 3.25Å; G343-A346 WeakPolarHBondContact O-CB 3.33Å; G343-A346 PolarHBondContact O-N 2.98Å; G343-A346 VanDerWaalsContact O-N 3.13Å; G343-H460 PolarHBondContact N-CE1 2.9Å; G343-H460 PolarHBondContact N-ND1 2.85Å | ||
| 344 | T | 95.6 | Very high | 96.5 | Very high | 64 Ų | 64 | 19.8 Ų | 19.8 | 39% | 0.393 | 10% | 0.096 | S | C | . | . | G | 310 helix | trans | -58.5 | -34.6 | -178.2 | 52.8 | 0 | 0 | 0 | 0 | 113 | K339 A346 M347 L464 | K339-T344 HydrophobicContact CB-CG2 4.4Å; T344-A346 PolarHBondContact O-N 2.85Å; T344-A346 VanDerWaalsContact O-N 3.11Å; T344-M347 WeakPolarHBondContact O-CG 3.46Å; T344-M347 PolarHBondContact O-N 2.85Å; T344-L464 HydrophobicContact CG2-CD1 4.02Å |
| 345 | G | 94.3 | Very high | 96.4 | Very high | 25 Ų | 25 | 19.8 Ų | 19.8 | 26% | 0.258 | 10% | 0.096 | S | C | . | . | G | 310 helix | trans | -60.5 | -18.3 | 178 | 0 | 0 | 0 | 0 | 0 | 115.2 | G343 M347 R348 | G343-G345 PolarHBondContact O-N 3.28Å; G345-M347 VanDerWaalsContact C-N 3.26Å; G345-M347 PolarHBondContact O-N 3.42Å; G345-R348 WeakPolarHBondContact O-CB 3.5Å; G345-R348 PolarHBondContact O-N 3.49Å; G345-R348 PolarHBondContact O-NE 2.88Å; G345-R348 VanDerWaalsContact O-NE 3.13Å |
| 346 | A | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -65.7 | -25 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L318 F342 G343 T344 R348 H349 V350 | L318-A346 HydrophobicContact CD1-CB 4.47Å; L318-A346 HydrophobicContact CD2-CB 4.41Å; F342-A346 HydrophobicContact CB-CB 3.59Å; G343-A346 VanDerWaalsContact O-CB 3.25Å; G343-A346 WeakPolarHBondContact O-CB 3.33Å; G343-A346 PolarHBondContact O-N 2.98Å; G343-A346 VanDerWaalsContact O-N 3.13Å; T344-A346 PolarHBondContact O-N 2.85Å; T344-A346 VanDerWaalsContact O-N 3.11Å; A346-R348 PolarHBondContact O-N 2.75Å; A346-R348 VanDerWaalsContact O-N 3.11Å; A346-H349 PolarHBondContact O-N 3.26Å; A346-V350 PolarHBondContact O-N 3.49Å |
| 347 | M | 96.9 | Very high | 95.7 | Very high | 7 Ų | 7 | 19.7 Ų | 19.7 | 3% | 0.034 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -58.3 | -26.4 | 178.1 | -62.6 | -56.3 | -60.1 | 0 | 0 | 112.7 | I335 V338 K339 T344 G345 H349 V350 L380 E383 | I335-M347 HydrophobicContact CG2-CE 4.23Å; V338-M347 HydrophobicContact CG1-SD 4.23Å; K339-M347 HydrophobicContact CD-CG 4.32Å; K339-M347 HydrophobicContact CD-SD 4.45Å; K339-M347 HydrophobicContact CG-CG 4.08Å; K339-M347 HydrophobicContact CG-SD 3.97Å; T344-M347 WeakPolarHBondContact O-CG 3.46Å; T344-M347 PolarHBondContact O-N 2.85Å; G345-M347 VanDerWaalsContact C-N 3.26Å; G345-M347 PolarHBondContact O-N 3.42Å; M347-H349 PolarHBondContact O-N 2.93Å; M347-V350 HydrophobicContact CE-CB 4.39Å; M347-V350 HydrophobicContact CE-CG1 4.5Å; M347-V350 HydrophobicContact CE-CG2 4.19Å; M347-V350 PolarHBondContact O-N 2.97Å; M347-V350 HydrophobicContact SD-CG2 3.99Å; M347-L380 HydrophobicContact CE-CD1 3.93Å; M347-E383 HydrophobicContact CB-CG 4.03Å; M347-E383 HydrophobicContact CE-CG 4.05Å; M347-E383 HydrophobicContact CG-CG 4.24Å |
| 348 | R | 95.8 | Very high | 95.2 | Very high | 139 Ų | 139 | 21.3 Ų | 21.3 | 53% | 0.525 | 11% | 0.106 | S | C | . | . | G | 310 helix | trans | -64.5 | -15.8 | 174.4 | -63.5 | -177.8 | -61.3 | 172 | 4.9 | 114.1 | G345 A346 R387 L414 R418 | G345-R348 WeakPolarHBondContact O-CB 3.5Å; G345-R348 PolarHBondContact O-N 3.49Å; G345-R348 PolarHBondContact O-NE 2.88Å; G345-R348 VanDerWaalsContact O-NE 3.13Å; A346-R348 PolarHBondContact O-N 2.75Å; A346-R348 VanDerWaalsContact O-N 3.11Å; R348-R387 PolarHBondContact O-NH2 2.82Å; R348-L414 VanDerWaalsContact O-CD1 3.26Å; R348-L414 WeakPolarHBondContact O-CD1 3.47Å; R348-R418 PolarHBondContact O-NE 2.88Å; R348-R418 PolarHBondContact O-NH2 3.27Å |
| 349 | H | 97.7 | Very high | 94.5 | Very high | 7 Ų | 7 | 22.9 Ų | 22.9 | 3% | 0.032 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | -114.2 | 8.5 | 175.6 | -64.4 | -97 | 0 | 0 | 0 | 112.5 | H316 V317 L318 A346 M347 H423 | H316-H349 PolarHBondContact O-ND1 3.41Å; V317-H349 WeakPolarHBondContact CA-O 3.14Å; L318-H349 HydrophobicContact CD1-CB 3.94Å; L318-H349 PolarHBondContact N-O 3.33Å; A346-H349 PolarHBondContact O-N 3.26Å; M347-H349 PolarHBondContact O-N 2.93Å; H349-H423 HydrophobicContact CB-CB 4.24Å |
| 350 | V | 98.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.006 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 135.6 | 175 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | L318 L320 V338 A346 M347 C384 R387 | L318-V350 HydrophobicContact CB-CG2 3.91Å; L318-V350 VanDerWaalsContact O-CA 3.29Å; L318-V350 WeakPolarHBondContact O-CA 3.49Å; L320-V350 HydrophobicContact CB-CG1 3.86Å; L320-V350 HydrophobicContact CD2-CG1 4.31Å; V338-V350 HydrophobicContact CG1-CG2 4.39Å; A346-V350 PolarHBondContact O-N 3.49Å; M347-V350 HydrophobicContact CE-CB 4.39Å; M347-V350 HydrophobicContact CE-CG1 4.5Å; M347-V350 HydrophobicContact CE-CG2 4.19Å; M347-V350 PolarHBondContact O-N 2.97Å; M347-V350 HydrophobicContact SD-CG2 3.99Å; V350-C384 VanDerWaalsContact CG1-SG 3.58Å; V350-R387 PolarHBondContact O-NE 2.93Å |
| 351 | V | 98.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 131.3 | 165.7 | 178.1 | 0 | 0 | 0 | 0 | 107.3 | V317 L318 L319 L320 R387 L407 V410 L414 | V317-V351 HydrophobicContact CG1-CB 4.13Å; V317-V351 HydrophobicContact CG1-CG2 3.83Å; L318-V351 PolarHBondContact O-N 2.86Å; L319-V351 CarbonylContact C-O 3.59Å; L319-V351 WeakPolarHBondContact CA-O 3.24Å; L319-V351 HydrophobicContact CD1-CB 3.83Å; L319-V351 HydrophobicContact CD1-CG1 3.84Å; L320-V351 PolarHBondContact N-O 3.01Å; V351-R387 HydrophobicContact CG2-CB 4.23Å; V351-L407 HydrophobicContact CG1-CD1 4.28Å; V351-V410 HydrophobicContact CG1-CG1 3.79Å; V351-V410 HydrophobicContact CG2-CG1 4.13Å; V351-L414 HydrophobicContact CG2-CD2 4.06Å |
| 352 | I | 98.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 131.8 | 177.4 | -45.5 | 164.8 | 0 | 0 | 0 | 108.7 | I322 F354 L380 V381 C384 R387 Y388 C389 | I322-I352 HydrophobicContact CD1-CG2 3.8Å; I322-I352 HydrophobicContact CG1-CG2 4.27Å; I352-F354 HydrophobicContact CG2-CD2 4.47Å; I352-F354 HydrophobicContact CG2-CE1 4.3Å; I352-F354 HydrophobicContact CG2-CE2 4Å; I352-F354 HydrophobicContact CG2-CZ 3.9Å; I352-L380 HydrophobicContact CD1-CD2 3.83Å; I352-L380 HydrophobicContact CD1-CG 3.76Å; I352-L380 HydrophobicContact CG1-CD2 4.18Å; I352-L380 HydrophobicContact CG1-CG 4.32Å; I352-V381 HydrophobicContact CD1-CG2 3.77Å; I352-C384 HydrophobicContact CD1-CB 4.08Å; I352-C384 HydrophobicContact CG1-CB 4.14Å; I352-R387 PolarHBondContact N-O 3.25Å; I352-Y388 CarbonylContact O-C 3.57Å; I352-Y388 WeakPolarHBondContact O-CA 3.34Å; I352-C389 PolarHBondContact O-N 3.14Å |
| 353 | L | 98.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 116.7 | 174.7 | -176.4 | 153.3 | 0 | 0 | 0 | 109.6 | T247 L319 L320 V321 I322 T355 C389 F391 L407 | T247-L353 HydrophobicContact CG2-CD1 3.45Å; T247-L353 VanDerWaalsContact CG2-CD1 3.45Å; T247-L353 HydrophobicContact CG2-CD2 3.58Å; T247-L353 HydrophobicContact CG2-CG 4.18Å; L319-L353 HydrophobicContact CD1-CB 3.91Å; L319-L353 HydrophobicContact CD1-CD1 4.18Å; L319-L353 HydrophobicContact CD2-CD1 3.77Å; L319-L353 HydrophobicContact CG-CB 4.05Å; L319-L353 HydrophobicContact CG-CD1 4.08Å; L320-L353 PolarHBondContact O-N 3.33Å; V321-L353 WeakPolarHBondContact CA-O 3.42Å; V321-L353 HydrophobicContact CG1-CD2 4.27Å; I322-L353 PolarHBondContact N-O 3.48Å; L353-T355 HydrophobicContact CD2-CG2 3.69Å; L353-C389 WeakPolarHBondContact CA-O 3.27Å; L353-F391 HydrophobicContact CD1-CD1 3.63Å; L353-F391 HydrophobicContact CD1-CD2 4.35Å; L353-F391 HydrophobicContact CD1-CE1 3.87Å; L353-F391 HydrophobicContact CD1-CG 3.92Å; L353-F391 HydrophobicContact CD1-CZ 4.32Å; L353-F391 HydrophobicContact CD2-CB 4.04Å; L353-F391 HydrophobicContact CD2-CG 4.31Å; L353-F391 HydrophobicContact CG-CB 4.46Å; L353-F391 HydrophobicContact CG-CD1 4.06Å; L353-F391 HydrophobicContact CG-CG 4.32Å; L353-L407 HydrophobicContact CD1-CD2 4.42Å |
| 354 | F | 96.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 109.5 | 174.8 | -62.7 | -79.5 | 0 | 0 | 0 | 110.2 | I322 L324 I352 L365 Y368 V369 L377 Y388 C389 A390 F391 | I322-F354 HydrophobicContact CB-CD1 4.32Å; I322-F354 HydrophobicContact CB-CE1 4.49Å; I322-F354 HydrophobicContact CG2-CD1 4.43Å; I322-F354 HydrophobicContact CG2-CE1 4.41Å; I322-F354 CarbonylContact O-C 3.58Å; I322-F354 VanDerWaalsContact O-CA 3.3Å; I322-F354 WeakPolarHBondContact O-CA 2.99Å; L324-F354 HydrophobicContact CB-CB 4.28Å; L324-F354 HydrophobicContact CD1-CB 3.84Å; L324-F354 HydrophobicContact CD1-CD1 4.18Å; L324-F354 HydrophobicContact CD1-CG 4.02Å; I352-F354 HydrophobicContact CG2-CD2 4.47Å; I352-F354 HydrophobicContact CG2-CE1 4.3Å; I352-F354 HydrophobicContact CG2-CE2 4Å; I352-F354 HydrophobicContact CG2-CZ 3.9Å; F354-L365 HydrophobicContact CD2-CD1 3.8Å; F354-L365 HydrophobicContact CD2-CD2 4.24Å; F354-L365 HydrophobicContact CD2-CG 4.48Å; F354-L365 HydrophobicContact CE2-CD1 4.34Å; F354-L365 HydrophobicContact CG-CD1 4.33Å; F354-Y368 HydrophobicContact CD1-CE1 4.43Å; F354-Y368 HydrophobicContact CE1-CE1 4.13Å; F354-Y368 HydrophobicContact CZ-CE1 4.39Å; F354-V369 HydrophobicContact CE2-CG2 4.12Å; F354-V369 HydrophobicContact CZ-CG2 4.37Å; F354-L377 HydrophobicContact CE1-CD1 4.18Å; F354-L377 HydrophobicContact CZ-CD1 4.06Å; F354-Y388 HydrophobicContact CE2-CG 4.41Å; F354-C389 WeakPolarHBondContact CD2-O 3.46Å; F354-C389 PolarHBondContact N-O 2.78Å; F354-A390 HydrophobicContact CB-CB 4.1Å; F354-A390 CarbonylContact O-C 3.38Å; F354-A390 WeakPolarHBondContact O-CA 3.36Å; F354-A390 WeakPolarHBondContact O-CB 3.37Å; F354-F391 PolarHBondContact O-N 3.18Å |
| 355 | T | 91.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 155.7 | 167.6 | 56.2 | 0 | 0 | 0 | 0 | 110.2 | C242 T247 V321 I322 L324 L353 F391 | C242-T355 WeakPolarHBondContact O-CG2 3.24Å; C242-T355 PolarHBondContact O-OG1 3.3Å; T247-T355 WeakPolarHBondContact OG1-CG2 3.23Å; V321-T355 HydrophobicContact CG1-CG2 3.59Å; I322-T355 PolarHBondContact O-N 2.87Å; I322-T355 PolarHBondContact O-OG1 2.51Å; L324-T355 VanDerWaalsContact CB-O 3.29Å; L324-T355 WeakPolarHBondContact CB-O 3.32Å; L324-T355 PolarHBondContact N-O 2.89Å; L353-T355 HydrophobicContact CD2-CG2 3.69Å; T355-F391 CarbonylContact C-O 3.54Å; T355-F391 WeakPolarHBondContact CA-O 3.46Å |
| 356 | H | 86.8 | Confident | 91.6 | Very high | 46 Ų | 46 | 37.5 Ų | 37.5 | 21% | 0.213 | 23% | 0.225 | C | C | . | . | trans | 74.4 | 48.8 | -172 | -57.9 | -85.4 | 0 | 0 | 0 | 114 | L324 E358 D359 F391 | L324-H356 VanDerWaalsContact CD2-O 3.24Å; L324-H356 WeakPolarHBondContact CD2-O 3.43Å; H356-E358 WeakPolarHBondContact CA-OE1 3.36Å; H356-E358 WeakPolarHBondContact CA-OE2 3.44Å; H356-E358 IonicContact CE1-OE1 2.77Å; H356-E358 IonicContact CG-OE1 3.3Å; H356-E358 IonicContact ND1-OE1 3.23Å; H356-E358 PolarHBondContact ND1-OE1 2.86Å; H356-E358 PolarHBondContact O-N 2.84Å; H356-D359 PolarHBondContact O-N 2.8Å; H356-D359 VanDerWaalsContact O-N 3.1Å; H356-F391 PolarHBondContact N-O 2.74Å | ||
| 357 | K | 89.4 | Confident | 91.4 | Very high | 46 Ų | 46 | 41.7 Ų | 41.7 | 20% | 0.2 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -55.5 | -29.2 | 173.3 | -170.4 | -178.1 | -168.9 | 167.3 | 0 | 112 | D359 L360 A390 F391 N392 Q403 E406 | K357-D359 VanDerWaalsContact C-N 3.26Å; K357-D359 PolarHBondContact O-N 2.86Å; K357-L360 HydrophobicContact CG-CD1 4.03Å; K357-L360 VanDerWaalsContact O-CB 3.31Å; K357-L360 WeakPolarHBondContact O-CB 3.41Å; K357-L360 WeakPolarHBondContact O-CG 3.46Å; K357-L360 PolarHBondContact O-N 2.88Å; K357-L360 VanDerWaalsContact O-N 3.16Å; K357-A390 HydrophobicContact CB-CB 4.04Å; K357-A390 HydrophobicContact CD-CB 4.33Å; K357-A390 WeakPolarHBondContact CD-O 3.35Å; K357-A390 HydrophobicContact CG-CB 3.92Å; K357-F391 VanDerWaalsContact CB-C 3.48Å; K357-F391 PolarHBondContact N-O 3.41Å; K357-N392 HydrophobicContact CB-CB 4.07Å; K357-Q403 HydrophobicContact CD-CG 4.29Å; K357-E406 IonicContact NZ-OE1 2.8Å; K357-E406 PolarHBondContact NZ-OE1 3.3Å; K357-E406 IonicContact NZ-OE2 3.81Å; K357-E406 PolarHBondContact NZ-OE2 2.93Å |
| 358 | E | 84.9 | Confident | 91.1 | Very high | 54 Ų | 54 | 41.8 Ų | 41.8 | 25% | 0.252 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -58.8 | -32.8 | 175.8 | 66.5 | -80 | -173.2 | 0 | 0 | 113.5 | H356 L360 G361 N392 | H356-E358 WeakPolarHBondContact CA-OE1 3.36Å; H356-E358 WeakPolarHBondContact CA-OE2 3.44Å; H356-E358 IonicContact CE1-OE1 2.77Å; H356-E358 IonicContact CG-OE1 3.3Å; H356-E358 IonicContact ND1-OE1 3.23Å; H356-E358 PolarHBondContact ND1-OE1 2.86Å; H356-E358 PolarHBondContact O-N 2.84Å; E358-L360 PolarHBondContact O-N 3.31Å; E358-L360 VanDerWaalsContact O-N 3.14Å; E358-G361 PolarHBondContact O-N 2.87Å; E358-G361 VanDerWaalsContact O-N 3.13Å; E358-N392 WeakPolarHBondContact OE2-CB 3.32Å; E358-N392 PolarHBondContact OE2-OD1 2.87Å |
| 359 | D | 82 | Confident | 91 | Very high | 36 Ų | 36 | 35.7 Ų | 35.7 | 19% | 0.193 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -69.8 | -8.8 | 179.7 | -72.1 | -13.1 | 0 | 0 | 0 | 112.7 | L57 T154 L324 H356 K357 G361 | L57-D359 HydrophobicContact CD1-CB 4.14Å; T154-D359 WeakPolarHBondContact CB-OD1 3.27Å; T154-D359 WeakPolarHBondContact CG2-OD1 3.44Å; T154-D359 PolarHBondContact OG1-OD1 2.69Å; L324-D359 HydrophobicContact CD2-CB 4.23Å; H356-D359 PolarHBondContact O-N 2.8Å; H356-D359 VanDerWaalsContact O-N 3.1Å; K357-D359 VanDerWaalsContact C-N 3.26Å; K357-D359 PolarHBondContact O-N 2.86Å; D359-G361 VanDerWaalsContact C-N 3.26Å; D359-G361 PolarHBondContact O-N 3.34Å |
| 360 | L | 83.3 | Confident | 90.6 | Very high | 13 Ų | 13 | 38.2 Ų | 38.2 | 7% | 0.068 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -66.5 | -24 | 169.4 | -70.8 | 171 | 0 | 0 | 0 | 112.9 | L57 L324 K357 E358 G362 Q363 L365 | L57-L360 HydrophobicContact CD2-CD2 4.06Å; L324-L360 HydrophobicContact CD1-CD2 4.32Å; L324-L360 HydrophobicContact CD2-CB 4.49Å; L324-L360 HydrophobicContact CD2-CD2 3.7Å; L324-L360 HydrophobicContact CD2-CG 3.57Å; K357-L360 HydrophobicContact CG-CD1 4.03Å; K357-L360 VanDerWaalsContact O-CB 3.31Å; K357-L360 WeakPolarHBondContact O-CB 3.41Å; K357-L360 WeakPolarHBondContact O-CG 3.46Å; K357-L360 PolarHBondContact O-N 2.88Å; K357-L360 VanDerWaalsContact O-N 3.16Å; E358-L360 PolarHBondContact O-N 3.31Å; E358-L360 VanDerWaalsContact O-N 3.14Å; L360-G362 PolarHBondContact O-N 3.07Å; L360-G362 VanDerWaalsContact O-N 3.09Å; L360-Q363 WeakPolarHBondContact O-CB 3.32Å; L360-Q363 WeakPolarHBondContact O-CG 3.49Å; L360-Q363 PolarHBondContact O-N 2.76Å; L360-L365 HydrophobicContact CD1-CB 4.42Å |
| 361 | G | 80.1 | Confident | 90.1 | Very high | 76 Ų | 76 | 43 Ų | 43 | 78% | 0.784 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 24.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | E358 D359 | E358-G361 PolarHBondContact O-N 2.87Å; E358-G361 VanDerWaalsContact O-N 3.13Å; D359-G361 VanDerWaalsContact C-N 3.26Å; D359-G361 PolarHBondContact O-N 3.34Å |
| 362 | G | 80.5 | Confident | 89.6 | Confident | 81 Ų | 81 | 43.3 Ų | 43.3 | 84% | 0.835 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.1 | -1.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | L360 | L360-G362 PolarHBondContact O-N 3.07Å; L360-G362 VanDerWaalsContact O-N 3.09Å |
| 363 | Q | 86.8 | Confident | 89 | Confident | 117 Ų | 117 | 46.6 Ų | 46.6 | 55% | 0.547 | 29% | 0.292 | S | S | . | . | trans | -69.5 | 152.9 | 171 | -62.4 | -169.4 | -47.8 | 0 | 0 | 111.7 | L360 | L360-Q363 WeakPolarHBondContact O-CB 3.32Å; L360-Q363 WeakPolarHBondContact O-CG 3.49Å; L360-Q363 PolarHBondContact O-N 2.76Å | ||
| 364 | A | 91.6 | Very high | 88.4 | Confident | 51 Ų | 51 | 47.8 Ų | 47.8 | 42% | 0.421 | 30% | 0.298 | S | S | . | . | trans | -72.4 | 144.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | D366 D367 Y368 | A364-D366 PolarHBondContact O-N 2.85Å; A364-D367 WeakPolarHBondContact CB-OD2 3.47Å; A364-D367 WeakPolarHBondContact O-CB 3.41Å; A364-D367 PolarHBondContact O-N 3.07Å; A364-D367 VanDerWaalsContact O-N 3.17Å; A364-Y368 PolarHBondContact O-N 3.01Å | ||
| 365 | L | 94.4 | Very high | 88.1 | Confident | 26 Ų | 26 | 51.7 Ų | 51.7 | 14% | 0.136 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62 | -35.4 | 175.4 | -177.7 | 63 | 0 | 0 | 0 | 111.8 | L324 F354 L360 D367 Y368 V369 Y388 C389 A390 | L324-L365 HydrophobicContact CD1-CD1 3.88Å; F354-L365 HydrophobicContact CD2-CD1 3.8Å; F354-L365 HydrophobicContact CD2-CD2 4.24Å; F354-L365 HydrophobicContact CD2-CG 4.48Å; F354-L365 HydrophobicContact CE2-CD1 4.34Å; F354-L365 HydrophobicContact CG-CD1 4.33Å; L360-L365 HydrophobicContact CD1-CB 4.42Å; L365-D367 VanDerWaalsContact C-N 3.31Å; L365-D367 PolarHBondContact O-N 2.84Å; L365-Y368 HydrophobicContact CD1-CD1 4.2Å; L365-Y368 PolarHBondContact O-N 3.02Å; L365-V369 WeakPolarHBondContact O-CG2 3.47Å; L365-V369 PolarHBondContact O-N 3.1Å; L365-Y388 HydrophobicContact CD2-CD2 3.72Å; L365-Y388 HydrophobicContact CD2-CE2 4.21Å; L365-Y388 HydrophobicContact CG-CD2 4.13Å; L365-Y388 HydrophobicContact CG-CE2 4.22Å; L365-C389 VanDerWaalsContact CD2-C 3.42Å; L365-A390 HydrophobicContact CD1-CB 4.02Å; L365-A390 HydrophobicContact CD2-CB 3.71Å; L365-A390 HydrophobicContact CG-CB 4.39Å |
| 366 | D | 94.3 | Very high | 88 | Confident | 86 Ų | 86 | 54.4 Ų | 54.4 | 46% | 0.46 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.1 | -38.1 | 175.5 | -80.6 | -11.8 | 0 | 0 | 0 | 112.3 | A364 V369 A370 Y388 | A364-D366 PolarHBondContact O-N 2.85Å; D366-V369 PolarHBondContact O-N 2.75Å; D366-A370 VanDerWaalsContact O-CB 3.24Å; D366-A370 WeakPolarHBondContact O-CB 2.9Å; D366-A370 PolarHBondContact O-N 2.84Å; D366-Y388 WeakPolarHBondContact OD1-CE2 3.33Å; D366-Y388 VanDerWaalsContact OD1-CZ 3.22Å; D366-Y388 PolarHBondContact OD1-OH 3.37Å |
| 367 | D | 92.6 | Very high | 88.3 | Confident | 87 Ų | 87 | 52.2 Ų | 52.2 | 47% | 0.465 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 176 | -65.5 | -37.3 | 0 | 0 | 0 | 111.2 | A364 L365 V369 A370 N371 | A364-D367 WeakPolarHBondContact CB-OD2 3.47Å; A364-D367 WeakPolarHBondContact O-CB 3.41Å; A364-D367 PolarHBondContact O-N 3.07Å; A364-D367 VanDerWaalsContact O-N 3.17Å; L365-D367 VanDerWaalsContact C-N 3.31Å; L365-D367 PolarHBondContact O-N 2.84Å; D367-V369 VanDerWaalsContact C-N 3.35Å; D367-A370 PolarHBondContact O-N 2.88Å; D367-N371 VanDerWaalsContact O-CB 3.23Å; D367-N371 WeakPolarHBondContact O-CB 3.47Å; D367-N371 PolarHBondContact O-N 2.83Å; D367-N371 PolarHBondContact O-ND2 3.36Å |
| 368 | Y | 91.3 | Very high | 88.6 | Confident | 10 Ų | 10 | 53.4 Ų | 53.4 | 4% | 0.039 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 175.4 | 165.8 | -94.6 | 0 | 0 | 0 | 111.7 | L57 L324 G325 F354 A364 L365 T372 L377 | L57-Y368 HydrophobicContact CD2-CD2 3.68Å; L57-Y368 HydrophobicContact CD2-CE2 4.1Å; L57-Y368 HydrophobicContact CD2-CG 4.44Å; L57-Y368 HydrophobicContact CG-CD2 3.99Å; L57-Y368 HydrophobicContact CG-CE2 4.01Å; L324-Y368 HydrophobicContact CD1-CD1 3.64Å; L324-Y368 HydrophobicContact CD1-CD2 4.42Å; L324-Y368 HydrophobicContact CD1-CE1 3.56Å; L324-Y368 HydrophobicContact CD1-CE2 4.35Å; L324-Y368 HydrophobicContact CD1-CG 4.09Å; G325-Y368 WeakPolarHBondContact CA-OH 3.26Å; G325-Y368 PolarHBondContact N-OH 2.88Å; F354-Y368 HydrophobicContact CD1-CE1 4.43Å; F354-Y368 HydrophobicContact CE1-CE1 4.13Å; F354-Y368 HydrophobicContact CZ-CE1 4.39Å; A364-Y368 PolarHBondContact O-N 3.01Å; L365-Y368 HydrophobicContact CD1-CD1 4.2Å; L365-Y368 PolarHBondContact O-N 3.02Å; Y368-T372 PolarHBondContact O-N 3.35Å; Y368-L377 HydrophobicContact CE1-CD2 4.37Å |
| 369 | V | 93.4 | Very high | 89.1 | Confident | 11 Ų | 11 | 54.5 Ų | 54.5 | 7% | 0.067 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -70.6 | -39.5 | 179.2 | 171.6 | 0 | 0 | 0 | 0 | 111.9 | F354 L365 D366 D367 T372 V381 Y388 | F354-V369 HydrophobicContact CE2-CG2 4.12Å; F354-V369 HydrophobicContact CZ-CG2 4.37Å; L365-V369 WeakPolarHBondContact O-CG2 3.47Å; L365-V369 PolarHBondContact O-N 3.1Å; D366-V369 PolarHBondContact O-N 2.75Å; D367-V369 VanDerWaalsContact C-N 3.35Å; V369-T372 WeakPolarHBondContact O-CG2 3.43Å; V369-V381 HydrophobicContact CG1-CB 4.44Å; V369-V381 HydrophobicContact CG1-CG1 3.78Å; V369-V381 HydrophobicContact CG1-CG2 4.01Å; V369-Y388 HydrophobicContact CB-CE1 4.49Å; V369-Y388 HydrophobicContact CB-CE2 4.48Å; V369-Y388 HydrophobicContact CG1-CE1 3.85Å; V369-Y388 HydrophobicContact CG2-CD2 4.29Å; V369-Y388 HydrophobicContact CG2-CE1 4.37Å; V369-Y388 HydrophobicContact CG2-CE2 4Å |
| 370 | A | 90.4 | Very high | 89.8 | Confident | 60 Ų | 60 | 53 Ų | 53 | 50% | 0.496 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -70.1 | -45.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D366 D367 T372 | D366-A370 VanDerWaalsContact O-CB 3.24Å; D366-A370 WeakPolarHBondContact O-CB 2.9Å; D366-A370 PolarHBondContact O-N 2.84Å; D367-A370 PolarHBondContact O-N 2.88Å; A370-T372 VanDerWaalsContact C-N 3.32Å; A370-T372 PolarHBondContact O-N 3.47Å |
| 371 | N | 87.8 | Confident | 90.4 | Very high | 101 Ų | 101 | 52.8 Ų | 52.8 | 54% | 0.54 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 20.1 | -173.7 | -60.4 | -74.9 | 0 | 0 | 0 | 114.1 | R56 D367 | R56-N371 PolarHBondContact NH2-O 3.04Å; D367-N371 VanDerWaalsContact O-CB 3.23Å; D367-N371 WeakPolarHBondContact O-CB 3.47Å; D367-N371 PolarHBondContact O-N 2.83Å; D367-N371 PolarHBondContact O-ND2 3.36Å |
| 372 | T | 87.2 | Confident | 91.2 | Very high | 7 Ų | 7 | 56.9 Ų | 56.9 | 4% | 0.043 | 33% | 0.33 | C | S | . | . | trans | -75.8 | 149.6 | 168.5 | -163.9 | 0 | 0 | 0 | 0 | 110.9 | A59 Y368 V369 A370 N374 L377 K378 | A59-T372 WeakPolarHBondContact CB-OG1 3.24Å; Y368-T372 PolarHBondContact O-N 3.35Å; V369-T372 WeakPolarHBondContact O-CG2 3.43Å; A370-T372 VanDerWaalsContact C-N 3.32Å; A370-T372 PolarHBondContact O-N 3.47Å; T372-N374 PolarHBondContact OG1-N 3.4Å; T372-L377 HydrophobicContact CG2-CD2 4.41Å; T372-K378 HydrophobicContact CG2-CD 4.34Å; T372-K378 HydrophobicContact CG2-CG 3.74Å; T372-K378 WeakPolarHBondContact O-CE 3.32Å; T372-K378 PolarHBondContact O-NZ 3.37Å | ||
| 373 | D | 85.1 | Confident | 91.9 | Very high | 69 Ų | 69 | 56.7 Ų | 56.7 | 37% | 0.369 | 31% | 0.307 | S | S | . | . | trans | -100.7 | -11.3 | 168.9 | 64.1 | -32 | 0 | 0 | 0 | 112.4 | T60 R64 C375 | T60-D373 WeakPolarHBondContact CB-OD1 3.31Å; T60-D373 WeakPolarHBondContact CG2-OD1 3.36Å; T60-D373 VanDerWaalsContact OG1-CG 3.26Å; T60-D373 PolarHBondContact OG1-OD1 3.46Å; T60-D373 PolarHBondContact OG1-OD2 3.11Å; T60-D373 VanDerWaalsContact OG1-OD2 3.08Å; R64-D373 IonicContact NH2-OD2 2.76Å; D373-C375 PolarHBondContact O-N 3.31Å; D373-C375 VanDerWaalsContact O-N 3.09Å | ||
| 374 | N | 86.3 | Confident | 92.3 | Very high | 24 Ų | 24 | 51.1 Ų | 51.1 | 13% | 0.128 | 28% | 0.281 | C | S | . | . | trans | -70 | 104.3 | -179.9 | -168.7 | -49.4 | 0 | 0 | 0 | 111.7 | A59 T60 F327 T372 S376 L377 K378 | A59-N374 HydrophobicContact CB-CB 3.71Å; A59-N374 PolarHBondContact O-ND2 2.86Å; T60-N374 HydrophobicContact CG2-CB 3.79Å; F327-N374 PolarHBondContact O-ND2 2.95Å; T372-N374 PolarHBondContact OG1-N 3.4Å; N374-S376 PolarHBondContact O-N 3.12Å; N374-S376 PolarHBondContact OD1-N 3.39Å; N374-L377 HydrophobicContact CB-CB 4.01Å; N374-L377 PolarHBondContact O-N 2.97Å; N374-L377 PolarHBondContact OD1-N 3.31Å; N374-K378 PolarHBondContact O-N 3.28Å; N374-K378 VanDerWaalsContact O-N 3.12Å | ||
| 375 | C | 88.9 | Confident | 92.5 | Very high | 83 Ų | 83 | 52.7 Ų | 52.7 | 56% | 0.561 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -58.8 | -44.7 | 179.8 | -64.5 | 0 | 0 | 0 | 0 | 112.8 | D373 L377 K378 D379 | D373-C375 PolarHBondContact O-N 3.31Å; D373-C375 VanDerWaalsContact O-N 3.09Å; C375-L377 VanDerWaalsContact C-N 3.27Å; C375-L377 PolarHBondContact O-N 3.47Å; C375-K378 CarbonylContact O-C 3.55Å; C375-K378 WeakPolarHBondContact O-CA 3.45Å; C375-K378 WeakPolarHBondContact O-CB 3.36Å; C375-K378 PolarHBondContact O-N 3.22Å; C375-D379 PolarHBondContact O-N 3.04Å |
| 376 | S | 90.9 | Very high | 92.6 | Very high | 58 Ų | 58 | 57.9 Ų | 57.9 | 41% | 0.406 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63 | -32.2 | -179.6 | -56 | 0 | 0 | 0 | 0 | 113.1 | N374 L380 | N374-S376 PolarHBondContact O-N 3.12Å; N374-S376 PolarHBondContact OD1-N 3.39Å; S376-L380 WeakPolarHBondContact O-CB 3.38Å; S376-L380 PolarHBondContact O-N 2.81Å |
| 377 | L | 94 | Very high | 92.7 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.3 | -40.4 | 170.5 | -179.1 | 58.6 | 0 | 0 | 0 | 111.8 | A59 F327 F354 Y368 T372 N374 C375 D379 L380 V381 | A59-L377 HydrophobicContact CB-CD2 3.66Å; F327-L377 HydrophobicContact CB-CB 4.21Å; F327-L377 HydrophobicContact CB-CD2 4.34Å; F327-L377 HydrophobicContact CD1-CB 4.27Å; F327-L377 HydrophobicContact CD2-CB 4.15Å; F327-L377 HydrophobicContact CD2-CD1 3.73Å; F327-L377 HydrophobicContact CD2-CG 4.44Å; F327-L377 HydrophobicContact CE2-CD1 4.2Å; F327-L377 HydrophobicContact CG-CB 3.93Å; F327-L377 HydrophobicContact CG-CD1 4.29Å; F354-L377 HydrophobicContact CE1-CD1 4.18Å; F354-L377 HydrophobicContact CZ-CD1 4.06Å; Y368-L377 HydrophobicContact CE1-CD2 4.37Å; T372-L377 HydrophobicContact CG2-CD2 4.41Å; N374-L377 HydrophobicContact CB-CB 4.01Å; N374-L377 PolarHBondContact O-N 2.97Å; N374-L377 PolarHBondContact OD1-N 3.31Å; C375-L377 VanDerWaalsContact C-N 3.27Å; C375-L377 PolarHBondContact O-N 3.47Å; L377-D379 VanDerWaalsContact C-N 3.33Å; L377-L380 HydrophobicContact CD1-CD2 4.39Å; L377-L380 PolarHBondContact O-N 2.97Å; L377-V381 HydrophobicContact CD1-CG2 4.27Å; L377-V381 WeakPolarHBondContact O-CB 3.3Å; L377-V381 VanDerWaalsContact O-CG2 3.27Å; L377-V381 WeakPolarHBondContact O-CG2 3.47Å; L377-V381 PolarHBondContact O-N 3.5Å |
| 378 | K | 94.8 | Very high | 92.9 | Very high | 70 Ų | 70 | 50.6 Ų | 50.6 | 30% | 0.304 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | 174 | -68.5 | 178.1 | 179 | 174 | 0 | 111.5 | T372 N374 C375 V381 R382 | T372-K378 HydrophobicContact CG2-CD 4.34Å; T372-K378 HydrophobicContact CG2-CG 3.74Å; T372-K378 WeakPolarHBondContact O-CE 3.32Å; T372-K378 PolarHBondContact O-NZ 3.37Å; N374-K378 PolarHBondContact O-N 3.28Å; N374-K378 VanDerWaalsContact O-N 3.12Å; C375-K378 CarbonylContact O-C 3.55Å; C375-K378 WeakPolarHBondContact O-CA 3.45Å; C375-K378 WeakPolarHBondContact O-CB 3.36Å; C375-K378 PolarHBondContact O-N 3.22Å; K378-V381 PolarHBondContact O-N 3.03Å; K378-R382 WeakPolarHBondContact O-CG 3.2Å; K378-R382 PolarHBondContact O-N 2.99Å |
| 379 | D | 94.4 | Very high | 93.2 | Very high | 77 Ų | 77 | 50.4 Ų | 50.4 | 41% | 0.412 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.4 | -42.7 | -179.3 | -60.2 | -30.6 | 0 | 0 | 0 | 110.9 | C375 L377 V381 R382 E383 | C375-D379 PolarHBondContact O-N 3.04Å; L377-D379 VanDerWaalsContact C-N 3.33Å; D379-V381 PolarHBondContact O-N 2.99Å; D379-R382 PolarHBondContact O-N 3.13Å; D379-R382 IonicContact OD1-CZ 3.87Å; D379-R382 IonicContact OD1-NH1 3.77Å; D379-R382 PolarHBondContact OD1-NH1 3.18Å; D379-E383 WeakPolarHBondContact O-CB 3.14Å; D379-E383 PolarHBondContact O-N 2.89Å |
| 380 | L | 96.6 | Very high | 93.3 | Very high | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.5 | -46.4 | 170.2 | 174.7 | 69.2 | 0 | 0 | 0 | 112.3 | L320 I322 F327 I335 M347 I352 S376 L377 R382 E383 C384 | L320-L380 HydrophobicContact CD2-CD1 3.86Å; L320-L380 HydrophobicContact CD2-CD2 3.82Å; L320-L380 HydrophobicContact CD2-CG 4.45Å; I322-L380 HydrophobicContact CD1-CD2 3.69Å; F327-L380 HydrophobicContact CE2-CD2 3.85Å; I335-L380 HydrophobicContact CD1-CD1 3.9Å; I335-L380 HydrophobicContact CD1-CD2 3.76Å; I335-L380 HydrophobicContact CD1-CG 4.26Å; I335-L380 HydrophobicContact CG1-CD1 4.04Å; I335-L380 HydrophobicContact CG1-CD2 4.49Å; I335-L380 HydrophobicContact CG2-CD1 4.21Å; M347-L380 HydrophobicContact CE-CD1 3.93Å; I352-L380 HydrophobicContact CD1-CD2 3.83Å; I352-L380 HydrophobicContact CD1-CG 3.76Å; I352-L380 HydrophobicContact CG1-CD2 4.18Å; I352-L380 HydrophobicContact CG1-CG 4.32Å; S376-L380 WeakPolarHBondContact O-CB 3.38Å; S376-L380 PolarHBondContact O-N 2.81Å; L377-L380 HydrophobicContact CD1-CD2 4.39Å; L377-L380 PolarHBondContact O-N 2.97Å; L380-R382 VanDerWaalsContact C-N 3.27Å; L380-R382 PolarHBondContact O-N 2.84Å; L380-E383 PolarHBondContact O-N 2.88Å; L380-C384 VanDerWaalsContact CD1-SG 3.56Å; L380-C384 WeakPolarHBondContact O-CB 3.45Å; L380-C384 PolarHBondContact O-N 2.69Å; L380-C384 PolarHBondContact O-SG 2.64Å |
| 381 | V | 96.6 | Very high | 93.5 | Very high | 9 Ų | 9 | 47 Ų | 47 | 6% | 0.055 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.4 | -32.6 | -179.1 | 165.5 | 0 | 0 | 0 | 0 | 111.7 | I352 V369 L377 K378 D379 E385 R386 Y388 | I352-V381 HydrophobicContact CD1-CG2 3.77Å; V369-V381 HydrophobicContact CG1-CB 4.44Å; V369-V381 HydrophobicContact CG1-CG1 3.78Å; V369-V381 HydrophobicContact CG1-CG2 4.01Å; L377-V381 HydrophobicContact CD1-CG2 4.27Å; L377-V381 WeakPolarHBondContact O-CB 3.3Å; L377-V381 VanDerWaalsContact O-CG2 3.27Å; L377-V381 WeakPolarHBondContact O-CG2 3.47Å; L377-V381 PolarHBondContact O-N 3.5Å; K378-V381 PolarHBondContact O-N 3.03Å; D379-V381 PolarHBondContact O-N 2.99Å; V381-E385 PolarHBondContact O-N 2.78Å; V381-R386 HydrophobicContact CG1-CG 4.2Å; V381-R386 PolarHBondContact O-N 2.88Å; V381-Y388 HydrophobicContact CG1-CD1 4.1Å; V381-Y388 HydrophobicContact CG1-CE1 3.83Å; V381-Y388 HydrophobicContact CG2-CD1 4.41Å |
| 382 | R | 96.1 | Very high | 93.7 | Very high | 161 Ų | 161 | 43.1 Ų | 43.1 | 61% | 0.608 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -70.9 | -46.2 | 170.6 | -67.7 | 178.9 | -154.1 | 132 | 7.1 | 111.8 | K378 D379 L380 C384 E385 | K378-R382 WeakPolarHBondContact O-CG 3.2Å; K378-R382 PolarHBondContact O-N 2.99Å; D379-R382 PolarHBondContact O-N 3.13Å; D379-R382 IonicContact OD1-CZ 3.87Å; D379-R382 IonicContact OD1-NH1 3.77Å; D379-R382 PolarHBondContact OD1-NH1 3.18Å; L380-R382 VanDerWaalsContact C-N 3.27Å; L380-R382 PolarHBondContact O-N 2.84Å; R382-C384 VanDerWaalsContact C-N 3.26Å; R382-C384 PolarHBondContact O-N 3.22Å; R382-E385 PolarHBondContact O-N 3.31Å |
| 383 | E | 95.6 | Very high | 93.7 | Very high | 77 Ų | 77 | 43.9 Ų | 43.9 | 36% | 0.36 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.1 | -32.3 | 179.4 | -177.6 | 169.9 | -143.2 | 0 | 0 | 112.4 | K339 M347 D379 L380 E385 | K339-E383 WeakPolarHBondContact CE-OE1 3.37Å; K339-E383 WeakPolarHBondContact CE-OE2 3.03Å; K339-E383 IonicContact NZ-OE1 3.62Å; K339-E383 PolarHBondContact NZ-OE1 2.86Å; K339-E383 IonicContact NZ-OE2 2.74Å; K339-E383 PolarHBondContact NZ-OE2 3.03Å; M347-E383 HydrophobicContact CB-CG 4.03Å; M347-E383 HydrophobicContact CE-CG 4.05Å; M347-E383 HydrophobicContact CG-CG 4.24Å; D379-E383 WeakPolarHBondContact O-CB 3.14Å; D379-E383 PolarHBondContact O-N 2.89Å; L380-E383 PolarHBondContact O-N 2.88Å; E383-E385 VanDerWaalsContact C-N 3.29Å; E383-E385 PolarHBondContact O-N 2.87Å |
| 384 | C | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 14.8 | 172.7 | -56.4 | 0 | 0 | 0 | 0 | 113.2 | V350 I352 L380 R382 R386 R387 | V350-C384 VanDerWaalsContact CG1-SG 3.58Å; I352-C384 HydrophobicContact CD1-CB 4.08Å; I352-C384 HydrophobicContact CG1-CB 4.14Å; L380-C384 VanDerWaalsContact CD1-SG 3.56Å; L380-C384 WeakPolarHBondContact O-CB 3.45Å; L380-C384 PolarHBondContact O-N 2.69Å; L380-C384 PolarHBondContact O-SG 2.64Å; R382-C384 VanDerWaalsContact C-N 3.26Å; R382-C384 PolarHBondContact O-N 3.22Å; C384-R386 PolarHBondContact O-N 3.27Å; C384-R386 VanDerWaalsContact O-N 3.12Å; C384-R387 VanDerWaalsContact O-CB 3.25Å; C384-R387 WeakPolarHBondContact O-CB 3.07Å; C384-R387 WeakPolarHBondContact O-CG 3.38Å; C384-R387 PolarHBondContact O-N 2.9Å; C384-R387 PolarHBondContact O-NE 3.19Å; C384-R387 PolarHBondContact O-NH2 3.01Å |
| 385 | E | 95.5 | Very high | 93.3 | Very high | 85 Ų | 85 | 48.2 Ų | 48.2 | 40% | 0.397 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 40.5 | 176.5 | -62.5 | 149.6 | -111.5 | 0 | 0 | 113.5 | V381 R382 E383 R387 R418 | V381-E385 PolarHBondContact O-N 2.78Å; R382-E385 PolarHBondContact O-N 3.31Å; E383-E385 VanDerWaalsContact C-N 3.29Å; E383-E385 PolarHBondContact O-N 2.87Å; E385-R387 PolarHBondContact O-N 3.44Å; E385-R387 IonicContact OE1-CZ 2.85Å; E385-R387 IonicContact OE1-NH1 2.78Å; E385-R387 PolarHBondContact OE1-NH1 2.93Å; E385-R387 IonicContact OE1-NH2 2.76Å; E385-R387 PolarHBondContact OE1-NH2 2.83Å; E385-R387 IonicContact OE2-CZ 2.69Å; E385-R387 IonicContact OE2-NH1 3.83Å; E385-R387 PolarHBondContact OE2-NH1 3.39Å; E385-R387 IonicContact OE2-NH2 3.82Å; E385-R418 VanDerWaalsContact CD-NH2 3.3Å; E385-R418 IonicContact OE1-NH2 3.52Å; E385-R418 PolarHBondContact OE1-NH2 2.84Å; E385-R418 IonicContact OE2-CZ 3.5Å; E385-R418 IonicContact OE2-NH1 2.92Å; E385-R418 IonicContact OE2-NH2 3.94Å; E385-R418 PolarHBondContact OE2-NH2 3.36Å |
| 386 | R | 95.8 | Very high | 93.2 | Very high | 134 Ų | 134 | 47.8 Ų | 47.8 | 51% | 0.506 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 30.7 | -174.5 | -56 | -177.5 | 63.1 | 114.2 | 3.2 | 114.6 | V381 C384 Y388 R413 | V381-R386 HydrophobicContact CG1-CG 4.2Å; V381-R386 PolarHBondContact O-N 2.88Å; C384-R386 PolarHBondContact O-N 3.27Å; C384-R386 VanDerWaalsContact O-N 3.12Å; R386-Y388 HydrophobicContact CB-CE1 3.96Å; R386-Y388 HydrophobicContact CG-CE1 4.48Å; R386-Y388 PolarHBondContact NH2-OH 3.41Å; R386-Y388 PolarHBondContact O-N 3.21Å; R386-R413 PolarHBondContact O-NH2 2.88Å |
| 387 | R | 97.3 | Very high | 93 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -83.7 | 92.9 | 168.4 | -66.9 | -179.1 | -72.6 | -95 | -7.4 | 110.1 | R348 V350 V351 I352 C384 E385 V410 E417 | R348-R387 PolarHBondContact O-NH2 2.82Å; V350-R387 PolarHBondContact O-NE 2.93Å; V351-R387 HydrophobicContact CG2-CB 4.23Å; I352-R387 PolarHBondContact N-O 3.25Å; C384-R387 VanDerWaalsContact O-CB 3.25Å; C384-R387 WeakPolarHBondContact O-CB 3.07Å; C384-R387 WeakPolarHBondContact O-CG 3.38Å; C384-R387 PolarHBondContact O-N 2.9Å; C384-R387 PolarHBondContact O-NE 3.19Å; C384-R387 PolarHBondContact O-NH2 3.01Å; E385-R387 PolarHBondContact O-N 3.44Å; E385-R387 IonicContact OE1-CZ 2.85Å; E385-R387 IonicContact OE1-NH1 2.78Å; E385-R387 PolarHBondContact OE1-NH1 2.93Å; E385-R387 IonicContact OE1-NH2 2.76Å; E385-R387 PolarHBondContact OE1-NH2 2.83Å; E385-R387 IonicContact OE2-CZ 2.69Å; E385-R387 IonicContact OE2-NH1 3.83Å; E385-R387 PolarHBondContact OE2-NH1 3.39Å; E385-R387 IonicContact OE2-NH2 3.82Å; R387-V410 HydrophobicContact CB-CG1 4.15Å; R387-V410 HydrophobicContact CG-CG1 4.49Å; R387-E417 IonicContact CZ-OE2 2.94Å; R387-E417 IonicContact NH1-OE2 3.57Å; R387-E417 PolarHBondContact NH1-OE2 2.87Å | ||
| 388 | Y | 97.2 | Very high | 92.8 | Very high | 20 Ų | 20 | 55 Ų | 55 | 8% | 0.078 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 159.4 | 175.5 | 56.8 | -103.9 | 0 | 0 | 0 | 113.8 | I352 F354 L365 D366 V369 V381 R386 | I352-Y388 CarbonylContact O-C 3.57Å; I352-Y388 WeakPolarHBondContact O-CA 3.34Å; F354-Y388 HydrophobicContact CE2-CG 4.41Å; L365-Y388 HydrophobicContact CD2-CD2 3.72Å; L365-Y388 HydrophobicContact CD2-CE2 4.21Å; L365-Y388 HydrophobicContact CG-CD2 4.13Å; L365-Y388 HydrophobicContact CG-CE2 4.22Å; D366-Y388 WeakPolarHBondContact OD1-CE2 3.33Å; D366-Y388 VanDerWaalsContact OD1-CZ 3.22Å; D366-Y388 PolarHBondContact OD1-OH 3.37Å; V369-Y388 HydrophobicContact CB-CE1 4.49Å; V369-Y388 HydrophobicContact CB-CE2 4.48Å; V369-Y388 HydrophobicContact CG1-CE1 3.85Å; V369-Y388 HydrophobicContact CG2-CD2 4.29Å; V369-Y388 HydrophobicContact CG2-CE1 4.37Å; V369-Y388 HydrophobicContact CG2-CE2 4Å; V381-Y388 HydrophobicContact CG1-CD1 4.1Å; V381-Y388 HydrophobicContact CG1-CE1 3.83Å; V381-Y388 HydrophobicContact CG2-CD1 4.41Å; R386-Y388 HydrophobicContact CB-CE1 3.96Å; R386-Y388 HydrophobicContact CG-CE1 4.48Å; R386-Y388 PolarHBondContact NH2-OH 3.41Å; R386-Y388 PolarHBondContact O-N 3.21Å |
| 389 | C | 96.8 | Very high | 92.5 | Very high | 6 Ų | 6 | 54.8 Ų | 54.8 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 173.1 | 176.9 | 63 | 0 | 0 | 0 | 0 | 110.3 | I352 L353 F354 L365 | I352-C389 PolarHBondContact O-N 3.14Å; L353-C389 WeakPolarHBondContact CA-O 3.27Å; F354-C389 WeakPolarHBondContact CD2-O 3.46Å; F354-C389 PolarHBondContact N-O 2.78Å; L365-C389 VanDerWaalsContact CD2-C 3.42Å |
| 390 | A | 95.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 144.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F354 K357 L365 | F354-A390 HydrophobicContact CB-CB 4.1Å; F354-A390 CarbonylContact O-C 3.38Å; F354-A390 WeakPolarHBondContact O-CA 3.36Å; F354-A390 WeakPolarHBondContact O-CB 3.37Å; K357-A390 HydrophobicContact CB-CB 4.04Å; K357-A390 HydrophobicContact CD-CB 4.33Å; K357-A390 WeakPolarHBondContact CD-O 3.35Å; K357-A390 HydrophobicContact CG-CB 3.92Å; L365-A390 HydrophobicContact CD1-CB 4.02Å; L365-A390 HydrophobicContact CD2-CB 3.71Å; L365-A390 HydrophobicContact CG-CB 4.39Å |
| 391 | F | 94.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 136.8 | -177 | -90.2 | 48.7 | 0 | 0 | 0 | 111.5 | T247 I251 L353 F354 T355 H356 K357 Q403 L407 | T247-F391 HydrophobicContact CG2-CD2 4.19Å; I251-F391 HydrophobicContact CG1-CE2 4.03Å; I251-F391 HydrophobicContact CG1-CZ 4.28Å; L353-F391 HydrophobicContact CD1-CD1 3.63Å; L353-F391 HydrophobicContact CD1-CD2 4.35Å; L353-F391 HydrophobicContact CD1-CE1 3.87Å; L353-F391 HydrophobicContact CD1-CG 3.92Å; L353-F391 HydrophobicContact CD1-CZ 4.32Å; L353-F391 HydrophobicContact CD2-CB 4.04Å; L353-F391 HydrophobicContact CD2-CG 4.31Å; L353-F391 HydrophobicContact CG-CB 4.46Å; L353-F391 HydrophobicContact CG-CD1 4.06Å; L353-F391 HydrophobicContact CG-CG 4.32Å; F354-F391 PolarHBondContact O-N 3.18Å; T355-F391 CarbonylContact C-O 3.54Å; T355-F391 WeakPolarHBondContact CA-O 3.46Å; H356-F391 PolarHBondContact N-O 2.74Å; K357-F391 VanDerWaalsContact CB-C 3.48Å; K357-F391 PolarHBondContact N-O 3.41Å; F391-Q403 VanDerWaalsContact CA-OE1 3.25Å; F391-Q403 HydrophobicContact CD1-CB 4.02Å; F391-Q403 HydrophobicContact CD1-CG 4.5Å; F391-Q403 HydrophobicContact CD2-CB 4.42Å; F391-Q403 HydrophobicContact CE1-CB 3.83Å; F391-Q403 VanDerWaalsContact CE1-O 3.3Å; F391-Q403 WeakPolarHBondContact CE1-O 3.43Å; F391-Q403 HydrophobicContact CE2-CB 4.27Å; F391-Q403 HydrophobicContact CG-CB 4.3Å; F391-Q403 HydrophobicContact CZ-CB 3.97Å; F391-Q403 WeakPolarHBondContact CZ-O 3.37Å; F391-L407 HydrophobicContact CE1-CB 3.92Å; F391-L407 HydrophobicContact CE1-CD2 4.07Å; F391-L407 HydrophobicContact CZ-CB 4.09Å; F391-L407 HydrophobicContact CZ-CD2 3.75Å |
| 392 | N | 90.4 | Very high | 91.7 | Very high | 18 Ų | 18 | 64.3 Ų | 64.3 | 10% | 0.096 | 29% | 0.292 | C | S | . | . | trans | -101.8 | 99.5 | 161 | 169.6 | 10.8 | 0 | 0 | 0 | 106.8 | K357 E358 W394 G395 E399 Q403 | K357-N392 HydrophobicContact CB-CB 4.07Å; E358-N392 WeakPolarHBondContact OE2-CB 3.32Å; E358-N392 PolarHBondContact OE2-OD1 2.87Å; N392-W394 PolarHBondContact O-N 3.09Å; N392-W394 VanDerWaalsContact O-N 3.08Å; N392-W394 WeakPolarHBondContact OD1-CA 3.46Å; N392-W394 PolarHBondContact OD1-N 3.48Å; N392-G395 VanDerWaalsContact CG-N 3.31Å; N392-G395 VanDerWaalsContact ND2-CA 3.27Å; N392-G395 WeakPolarHBondContact ND2-CA 3.3Å; N392-G395 PolarHBondContact ND2-N 2.92Å; N392-G395 PolarHBondContact O-N 3.14Å; N392-G395 PolarHBondContact OD1-N 3.18Å; N392-G395 VanDerWaalsContact OD1-N 3.12Å; N392-E399 VanDerWaalsContact CB-OE1 3.3Å; N392-E399 WeakPolarHBondContact CB-OE1 3.47Å; N392-E399 PolarHBondContact ND2-OE1 3.25Å; N392-E399 PolarHBondContact ND2-OE2 2.99Å; N392-E399 VanDerWaalsContact ND2-OE2 3.08Å; N392-Q403 PolarHBondContact O-OE1 2.94Å | ||
| 393 | N | 88.7 | Confident | 91.6 | Very high | 24 Ų | 24 | 56.6 Ų | 56.6 | 13% | 0.128 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -4.7 | -177.6 | -67 | -23.7 | 0 | 0 | 0 | 113.5 | A246 T247 S250 | A246-N393 HydrophobicContact CB-CB 4Å; T247-N393 PolarHBondContact N-ND2 3.14Å; T247-N393 PolarHBondContact OG1-ND2 2.99Å; S250-N393 PolarHBondContact OG-OD1 3.31Å |
| 394 | W | 82.8 | Confident | 91.5 | Very high | 176 Ų | 176 | 54.7 Ų | 54.7 | 67% | 0.667 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.3 | 8.6 | 173 | -56.7 | 92.8 | 0 | 0 | 0 | 112.4 | N392 | N392-W394 PolarHBondContact O-N 3.09Å; N392-W394 VanDerWaalsContact O-N 3.08Å; N392-W394 WeakPolarHBondContact OD1-CA 3.46Å; N392-W394 PolarHBondContact OD1-N 3.48Å |
| 395 | G | 80.4 | Confident | 91.4 | Very high | 8 Ų | 8 | 57.1 Ų | 57.1 | 8% | 0.082 | 27% | 0.274 | C | S | . | . | trans | -66.1 | 162.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | N392 E399 Q400 | N392-G395 VanDerWaalsContact CG-N 3.31Å; N392-G395 VanDerWaalsContact ND2-CA 3.27Å; N392-G395 WeakPolarHBondContact ND2-CA 3.3Å; N392-G395 PolarHBondContact ND2-N 2.92Å; N392-G395 PolarHBondContact O-N 3.14Å; N392-G395 PolarHBondContact OD1-N 3.18Å; N392-G395 VanDerWaalsContact OD1-N 3.12Å; G395-E399 WeakPolarHBondContact CA-OE2 3.43Å; G395-Q400 PolarHBondContact O-NE2 2.8Å | ||
| 396 | S | 86.9 | Confident | 91.3 | Very high | 73 Ų | 73 | 55.9 Ų | 55.9 | 51% | 0.51 | 27% | 0.269 | S | S | . | . | trans | -62.5 | 162.5 | 176.8 | 79.2 | 0 | 0 | 0 | 0 | 111.4 | E398 E399 Q400 | S396-E398 PolarHBondContact O-N 3.34Å; S396-E398 VanDerWaalsContact O-N 3.16Å; S396-E398 PolarHBondContact OG-N 2.98Å; S396-E399 WeakPolarHBondContact O-CB 3.44Å; S396-E399 PolarHBondContact O-N 3Å; S396-E399 PolarHBondContact OG-N 2.8Å; S396-E399 VanDerWaalsContact OG-N 3.15Å; S396-Q400 WeakPolarHBondContact O-CG 3.41Å; S396-Q400 PolarHBondContact O-N 3.23Å | ||
| 397 | V | 86.1 | Confident | 91.4 | Very high | 95 Ų | 95 | 49.5 Ų | 49.5 | 58% | 0.576 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -55.4 | -34.8 | 177.3 | 179.1 | 0 | 0 | 0 | 0 | 111.7 | R401 | V397-R401 WeakPolarHBondContact O-CG 2.85Å; V397-R401 PolarHBondContact O-N 2.94Å; V397-R401 VanDerWaalsContact O-N 3.08Å |
| 398 | E | 88.9 | Confident | 91.2 | Very high | 117 Ų | 117 | 50.7 Ų | 50.7 | 55% | 0.547 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -74.8 | -39.2 | 177.3 | -159 | 57.7 | -147.6 | 0 | 0 | 112.2 | S396 Q400 R401 Q402 | S396-E398 PolarHBondContact O-N 3.34Å; S396-E398 VanDerWaalsContact O-N 3.16Å; S396-E398 PolarHBondContact OG-N 2.98Å; E398-Q400 VanDerWaalsContact C-N 3.28Å; E398-Q400 PolarHBondContact O-N 2.84Å; E398-R401 PolarHBondContact O-N 3.15Å; E398-R401 WeakPolarHBondContact OE2-CD 3.37Å; E398-R401 IonicContact OE2-CZ 3.69Å; E398-R401 IonicContact OE2-NE 3.97Å; E398-R401 IonicContact OE2-NH1 2.67Å; E398-R401 PolarHBondContact OE2-NH1 3.42Å; E398-Q402 PolarHBondContact O-N 3.03Å |
| 399 | E | 89.8 | Confident | 91.1 | Very high | 65 Ų | 65 | 52.3 Ų | 52.3 | 30% | 0.304 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.5 | -37.4 | 173.3 | -153 | -162.7 | 150 | 0 | 0 | 111.4 | N392 G395 S396 Q402 Q403 | N392-E399 VanDerWaalsContact CB-OE1 3.3Å; N392-E399 WeakPolarHBondContact CB-OE1 3.47Å; N392-E399 PolarHBondContact ND2-OE1 3.25Å; N392-E399 PolarHBondContact ND2-OE2 2.99Å; N392-E399 VanDerWaalsContact ND2-OE2 3.08Å; G395-E399 WeakPolarHBondContact CA-OE2 3.43Å; S396-E399 WeakPolarHBondContact O-CB 3.44Å; S396-E399 PolarHBondContact O-N 3Å; S396-E399 PolarHBondContact OG-N 2.8Å; S396-E399 VanDerWaalsContact OG-N 3.15Å; E399-Q402 PolarHBondContact O-N 3.04Å; E399-Q403 WeakPolarHBondContact O-CB 3.38Å; E399-Q403 WeakPolarHBondContact O-CG 3.24Å; E399-Q403 PolarHBondContact O-N 2.85Å; E399-Q403 PolarHBondContact OE1-NE2 2.7Å |
| 400 | Q | 88.5 | Confident | 91.1 | Very high | 41 Ų | 41 | 52.8 Ų | 52.8 | 19% | 0.192 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.1 | -40.5 | 174.9 | -69.6 | 179.5 | 20.3 | 0 | 0 | 112.1 | G395 S396 E398 Q403 Q404 | G395-Q400 PolarHBondContact O-NE2 2.8Å; S396-Q400 WeakPolarHBondContact O-CG 3.41Å; S396-Q400 PolarHBondContact O-N 3.23Å; E398-Q400 VanDerWaalsContact C-N 3.28Å; E398-Q400 PolarHBondContact O-N 2.84Å; Q400-Q403 PolarHBondContact O-N 2.77Å; Q400-Q404 WeakPolarHBondContact O-CB 3.49Å; Q400-Q404 VanDerWaalsContact O-CG 3.3Å; Q400-Q404 WeakPolarHBondContact O-CG 3.45Å; Q400-Q404 PolarHBondContact O-N 2.86Å |
| 401 | R | 89.8 | Confident | 91.1 | Very high | 138 Ų | 138 | 53.1 Ų | 53.1 | 52% | 0.521 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.7 | -46.7 | 172.7 | -74.2 | 168.8 | -178.6 | 151.2 | -0.4 | 111.5 | V397 E398 Q403 Q404 A405 | V397-R401 WeakPolarHBondContact O-CG 2.85Å; V397-R401 PolarHBondContact O-N 2.94Å; V397-R401 VanDerWaalsContact O-N 3.08Å; E398-R401 PolarHBondContact O-N 3.15Å; E398-R401 WeakPolarHBondContact OE2-CD 3.37Å; E398-R401 IonicContact OE2-CZ 3.69Å; E398-R401 IonicContact OE2-NE 3.97Å; E398-R401 IonicContact OE2-NH1 2.67Å; E398-R401 PolarHBondContact OE2-NH1 3.42Å; R401-Q403 PolarHBondContact O-N 2.92Å; R401-Q404 PolarHBondContact O-N 3.06Å; R401-A405 PolarHBondContact O-N 3.11Å |
| 402 | Q | 92.1 | Very high | 90.9 | Very high | 111 Ų | 111 | 57.2 Ų | 57.2 | 52% | 0.519 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 177.3 | 177.6 | 55.8 | 33.1 | 0 | 0 | 111.7 | E398 E399 A405 E406 | E398-Q402 PolarHBondContact O-N 3.03Å; E399-Q402 PolarHBondContact O-N 3.04Å; Q402-A405 PolarHBondContact O-N 3.15Å; Q402-E406 PolarHBondContact NE2-OE1 2.87Å; Q402-E406 WeakPolarHBondContact O-CG 3.35Å; Q402-E406 PolarHBondContact O-N 2.82Å |
| 403 | Q | 94.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.7 | -37.1 | 175.7 | -71.1 | 168 | 30.7 | 0 | 0 | 113.1 | K357 F391 N392 E399 Q400 R401 E406 L407 | K357-Q403 HydrophobicContact CD-CG 4.29Å; F391-Q403 VanDerWaalsContact CA-OE1 3.25Å; F391-Q403 HydrophobicContact CD1-CB 4.02Å; F391-Q403 HydrophobicContact CD1-CG 4.5Å; F391-Q403 HydrophobicContact CD2-CB 4.42Å; F391-Q403 HydrophobicContact CE1-CB 3.83Å; F391-Q403 VanDerWaalsContact CE1-O 3.3Å; F391-Q403 WeakPolarHBondContact CE1-O 3.43Å; F391-Q403 HydrophobicContact CE2-CB 4.27Å; F391-Q403 HydrophobicContact CG-CB 4.3Å; F391-Q403 HydrophobicContact CZ-CB 3.97Å; F391-Q403 WeakPolarHBondContact CZ-O 3.37Å; N392-Q403 PolarHBondContact O-OE1 2.94Å; E399-Q403 WeakPolarHBondContact O-CB 3.38Å; E399-Q403 WeakPolarHBondContact O-CG 3.24Å; E399-Q403 PolarHBondContact O-N 2.85Å; E399-Q403 PolarHBondContact OE1-NE2 2.7Å; Q400-Q403 PolarHBondContact O-N 2.77Å; R401-Q403 PolarHBondContact O-N 2.92Å; Q403-E406 PolarHBondContact O-N 2.86Å; Q403-L407 WeakPolarHBondContact O-CB 3.38Å; Q403-L407 PolarHBondContact O-N 3.34Å |
| 404 | Q | 93.4 | Very high | 91.5 | Very high | 37 Ų | 37 | 59.8 Ų | 59.8 | 17% | 0.173 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 171.1 | -74.9 | 174.1 | 14.7 | 0 | 0 | 111.3 | S250 I251 W277 Q400 R401 L407 L408 | S250-Q404 PolarHBondContact O-NE2 3.25Å; I251-Q404 PolarHBondContact O-NE2 2.87Å; W277-Q404 HydrophobicContact CZ2-CB 4.42Å; W277-Q404 HydrophobicContact CZ2-CG 4.29Å; Q400-Q404 WeakPolarHBondContact O-CB 3.49Å; Q400-Q404 VanDerWaalsContact O-CG 3.3Å; Q400-Q404 WeakPolarHBondContact O-CG 3.45Å; Q400-Q404 PolarHBondContact O-N 2.86Å; R401-Q404 PolarHBondContact O-N 3.06Å; Q404-L407 PolarHBondContact O-N 2.84Å; Q404-L408 VanDerWaalsContact O-CB 3.32Å; Q404-L408 WeakPolarHBondContact O-CB 3.08Å; Q404-L408 PolarHBondContact O-N 3Å |
| 405 | A | 93.1 | Very high | 91.9 | Very high | 50 Ų | 50 | 52.6 Ų | 52.6 | 41% | 0.413 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.4 | -42.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R401 Q402 L407 L408 A409 | R401-A405 PolarHBondContact O-N 3.11Å; Q402-A405 PolarHBondContact O-N 3.15Å; A405-L407 PolarHBondContact O-N 3.38Å; A405-L408 PolarHBondContact O-N 3.39Å; A405-A409 WeakPolarHBondContact O-CB 3.42Å; A405-A409 PolarHBondContact O-N 3.41Å |
| 406 | E | 95.3 | Very high | 92.4 | Very high | 60 Ų | 60 | 60 Ų | 60 | 28% | 0.28 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -55.7 | -48.2 | 171.8 | -75.1 | 169.2 | -157.8 | 0 | 0 | 111.5 | K357 Q402 Q403 A409 V410 | K357-E406 IonicContact NZ-OE1 2.8Å; K357-E406 PolarHBondContact NZ-OE1 3.3Å; K357-E406 IonicContact NZ-OE2 3.81Å; K357-E406 PolarHBondContact NZ-OE2 2.93Å; Q402-E406 PolarHBondContact NE2-OE1 2.87Å; Q402-E406 WeakPolarHBondContact O-CG 3.35Å; Q402-E406 PolarHBondContact O-N 2.82Å; Q403-E406 PolarHBondContact O-N 2.86Å; E406-A409 PolarHBondContact O-N 3.45Å; E406-V410 WeakPolarHBondContact O-CG2 3.28Å; E406-V410 PolarHBondContact O-N 3.48Å |
| 407 | L | 96.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.3 | -42.3 | 178.5 | 176.5 | 58.6 | 0 | 0 | 0 | 112.3 | I251 W277 L319 V351 L353 F391 Q403 Q404 A405 A409 V410 I411 | I251-L407 HydrophobicContact CD1-CD2 3.97Å; I251-L407 HydrophobicContact CG1-CD2 3.83Å; W277-L407 HydrophobicContact CH2-CD2 3.92Å; W277-L407 HydrophobicContact CH2-CG 4.08Å; L319-L407 HydrophobicContact CD1-CD1 3.84Å; L319-L407 HydrophobicContact CD2-CD2 4.03Å; V351-L407 HydrophobicContact CG1-CD1 4.28Å; L353-L407 HydrophobicContact CD1-CD2 4.42Å; F391-L407 HydrophobicContact CE1-CB 3.92Å; F391-L407 HydrophobicContact CE1-CD2 4.07Å; F391-L407 HydrophobicContact CZ-CB 4.09Å; F391-L407 HydrophobicContact CZ-CD2 3.75Å; Q403-L407 WeakPolarHBondContact O-CB 3.38Å; Q403-L407 PolarHBondContact O-N 3.34Å; Q404-L407 PolarHBondContact O-N 2.84Å; A405-L407 PolarHBondContact O-N 3.38Å; L407-A409 VanDerWaalsContact C-N 3.34Å; L407-A409 PolarHBondContact O-N 3.28Å; L407-V410 PolarHBondContact O-N 2.83Å; L407-I411 HydrophobicContact CD1-CD1 3.74Å; L407-I411 HydrophobicContact CD1-CG1 4.05Å; L407-I411 HydrophobicContact CD2-CD1 4.46Å; L407-I411 HydrophobicContact CG-CD1 3.75Å; L407-I411 HydrophobicContact CG-CG1 4.43Å; L407-I411 VanDerWaalsContact O-CG1 3.29Å; L407-I411 WeakPolarHBondContact O-CG1 3.17Å; L407-I411 PolarHBondContact O-N 2.81Å |
| 408 | L | 94.1 | Very high | 92.8 | Very high | 25 Ų | 25 | 57.8 Ų | 57.8 | 13% | 0.131 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 176.5 | 176.4 | 57.4 | 0 | 0 | 0 | 111 | W277 Q404 A405 V410 I411 E412 | W277-L408 HydrophobicContact CE3-CB 4.3Å; W277-L408 HydrophobicContact CE3-CD1 3.96Å; W277-L408 HydrophobicContact CZ3-CB 4.2Å; W277-L408 HydrophobicContact CZ3-CD1 4.24Å; Q404-L408 VanDerWaalsContact O-CB 3.32Å; Q404-L408 WeakPolarHBondContact O-CB 3.08Å; Q404-L408 PolarHBondContact O-N 3Å; A405-L408 PolarHBondContact O-N 3.39Å; L408-V410 VanDerWaalsContact C-N 3.32Å; L408-V410 PolarHBondContact O-N 3.02Å; L408-I411 CarbonylContact O-C 3.51Å; L408-I411 PolarHBondContact O-N 3.09Å; L408-I411 VanDerWaalsContact O-N 3.14Å; L408-E412 HydrophobicContact CD1-CG 3.97Å; L408-E412 HydrophobicContact CG-CG 4.38Å; L408-E412 WeakPolarHBondContact O-CB 3.43Å; L408-E412 WeakPolarHBondContact O-CG 3.36Å; L408-E412 PolarHBondContact O-N 2.74Å |
| 409 | A | 94.8 | Very high | 92.7 | Very high | 53 Ų | 53 | 61.5 Ų | 61.5 | 44% | 0.438 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.9 | -38.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A405 E406 L407 R413 | A405-A409 WeakPolarHBondContact O-CB 3.42Å; A405-A409 PolarHBondContact O-N 3.41Å; E406-A409 PolarHBondContact O-N 3.45Å; L407-A409 VanDerWaalsContact C-N 3.34Å; L407-A409 PolarHBondContact O-N 3.28Å; A409-R413 WeakPolarHBondContact O-CB 3.3Å; A409-R413 PolarHBondContact O-N 2.64Å |
| 410 | V | 96.9 | Very high | 92.3 | Very high | 16 Ų | 16 | 60.7 Ų | 60.7 | 10% | 0.097 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.8 | -41 | 173.6 | 175.4 | 0 | 0 | 0 | 0 | 111.4 | V351 R387 E406 L407 L408 R413 L414 | V351-V410 HydrophobicContact CG1-CG1 3.79Å; V351-V410 HydrophobicContact CG2-CG1 4.13Å; R387-V410 HydrophobicContact CB-CG1 4.15Å; R387-V410 HydrophobicContact CG-CG1 4.49Å; E406-V410 WeakPolarHBondContact O-CG2 3.28Å; E406-V410 PolarHBondContact O-N 3.48Å; L407-V410 PolarHBondContact O-N 2.83Å; L408-V410 VanDerWaalsContact C-N 3.32Å; L408-V410 PolarHBondContact O-N 3.02Å; V410-R413 PolarHBondContact O-N 3.08Å; V410-L414 PolarHBondContact O-N 3.27Å |
| 411 | I | 94.8 | Very high | 92.3 | Very high | 8 Ų | 8 | 61.5 Ų | 61.5 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.4 | -37.3 | 178.3 | -69.7 | 173.1 | 0 | 0 | 0 | 111.7 | L232 I234 W277 V317 L407 L408 L414 G415 | L232-I411 HydrophobicContact CD1-CG2 3.77Å; L232-I411 HydrophobicContact CD2-CD1 4.43Å; L232-I411 HydrophobicContact CD2-CG2 4.09Å; I234-I411 HydrophobicContact CD1-CD1 4.06Å; W277-I411 HydrophobicContact CH2-CD1 4.34Å; W277-I411 HydrophobicContact CZ3-CD1 4.09Å; V317-I411 HydrophobicContact CG1-CD1 4.43Å; V317-I411 HydrophobicContact CG1-CG1 4.38Å; V317-I411 HydrophobicContact CG2-CB 4.38Å; V317-I411 HydrophobicContact CG2-CD1 3.97Å; V317-I411 HydrophobicContact CG2-CG1 3.8Å; V317-I411 HydrophobicContact CG2-CG2 3.79Å; L407-I411 HydrophobicContact CD1-CD1 3.74Å; L407-I411 HydrophobicContact CD1-CG1 4.05Å; L407-I411 HydrophobicContact CD2-CD1 4.46Å; L407-I411 HydrophobicContact CG-CD1 3.75Å; L407-I411 HydrophobicContact CG-CG1 4.43Å; L407-I411 VanDerWaalsContact O-CG1 3.29Å; L407-I411 WeakPolarHBondContact O-CG1 3.17Å; L407-I411 PolarHBondContact O-N 2.81Å; L408-I411 CarbonylContact O-C 3.51Å; L408-I411 PolarHBondContact O-N 3.09Å; L408-I411 VanDerWaalsContact O-N 3.14Å; I411-L414 PolarHBondContact O-N 2.91Å; I411-G415 PolarHBondContact O-N 3.18Å |
| 412 | E | 92.7 | Very high | 92.5 | Very high | 86 Ų | 86 | 58.3 Ų | 58.3 | 40% | 0.402 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69.6 | -35.7 | 173.6 | -75.3 | -174.2 | -170.2 | 0 | 0 | 112.4 | L408 G415 R416 | L408-E412 HydrophobicContact CD1-CG 3.97Å; L408-E412 HydrophobicContact CG-CG 4.38Å; L408-E412 WeakPolarHBondContact O-CB 3.43Å; L408-E412 WeakPolarHBondContact O-CG 3.36Å; L408-E412 PolarHBondContact O-N 2.74Å; E412-G415 PolarHBondContact O-N 2.85Å; E412-R416 WeakPolarHBondContact O-CG 3.4Å; E412-R416 PolarHBondContact O-N 3.48Å; E412-R416 IonicContact OE2-NH1 2.69Å; E412-R416 PolarHBondContact OE2-NH1 3.2Å |
| 413 | R | 95.2 | Very high | 92.7 | Very high | 92 Ų | 92 | 53.7 Ų | 53.7 | 35% | 0.347 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.5 | -48.7 | 172.7 | -161.6 | -174.4 | 71.6 | -142.8 | 9.3 | 110.3 | R386 A409 V410 G415 R416 E417 | R386-R413 PolarHBondContact O-NH2 2.88Å; A409-R413 WeakPolarHBondContact O-CB 3.3Å; A409-R413 PolarHBondContact O-N 2.64Å; V410-R413 PolarHBondContact O-N 3.08Å; R413-G415 VanDerWaalsContact C-N 3.27Å; R413-G415 PolarHBondContact O-N 2.69Å; R413-R416 PolarHBondContact O-N 3.36Å; R413-R416 VanDerWaalsContact O-N 3.12Å; R413-E417 WeakPolarHBondContact CG-OE1 3.48Å; R413-E417 IonicContact CZ-OE1 2.7Å; R413-E417 IonicContact NE-OE1 3.84Å; R413-E417 PolarHBondContact NE-OE1 3.32Å; R413-E417 WeakPolarHBondContact O-CB 3.48Å; R413-E417 VanDerWaalsContact O-CG 3.25Å; R413-E417 WeakPolarHBondContact O-CG 3.5Å; R413-E417 PolarHBondContact O-N 3.18Å |
| 414 | L | 94.8 | Very high | 92.8 | Very high | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.2 | -41 | 170.6 | 173.3 | 62.4 | 0 | 0 | 0 | 111.8 | V317 R348 V351 V410 I411 R416 E417 R418 | V317-L414 HydrophobicContact CG2-CD2 4.34Å; R348-L414 VanDerWaalsContact O-CD1 3.26Å; R348-L414 WeakPolarHBondContact O-CD1 3.47Å; V351-L414 HydrophobicContact CG2-CD2 4.06Å; V410-L414 PolarHBondContact O-N 3.27Å; I411-L414 PolarHBondContact O-N 2.91Å; L414-R416 VanDerWaalsContact C-N 3.34Å; L414-R416 PolarHBondContact O-N 2.94Å; L414-E417 CarbonylContact O-C 3.52Å; L414-E417 PolarHBondContact O-N 2.81Å; L414-R418 HydrophobicContact CD1-CG 3.59Å; L414-R418 HydrophobicContact CG-CG 4.39Å; L414-R418 VanDerWaalsContact O-CB 3.31Å; L414-R418 WeakPolarHBondContact O-CB 3.48Å; L414-R418 WeakPolarHBondContact O-CG 3.29Å; L414-R418 PolarHBondContact O-N 2.74Å; L414-R418 VanDerWaalsContact O-N 3.08Å |
| 415 | G | 91.3 | Very high | 92.8 | Very high | 26 Ų | 26 | 55.3 Ų | 55.3 | 27% | 0.268 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60 | -40.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I411 E412 R413 R418 E419 G420 | I411-G415 PolarHBondContact O-N 3.18Å; E412-G415 PolarHBondContact O-N 2.85Å; R413-G415 VanDerWaalsContact C-N 3.27Å; R413-G415 PolarHBondContact O-N 2.69Å; G415-R418 CarbonylContact O-C 3.59Å; G415-R418 PolarHBondContact O-N 2.58Å; G415-E419 PolarHBondContact O-N 2.96Å; G415-E419 VanDerWaalsContact O-N 3.09Å; G415-G420 PolarHBondContact O-N 3.15Å |
| 416 | R | 91.4 | Very high | 92.9 | Very high | 164 Ų | 164 | 56.8 Ų | 56.8 | 62% | 0.619 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -70.7 | -41.9 | 173.6 | -68.9 | 179.8 | -71.2 | -96.2 | 0.5 | 112 | E412 R413 L414 R418 | E412-R416 WeakPolarHBondContact O-CG 3.4Å; E412-R416 PolarHBondContact O-N 3.48Å; E412-R416 IonicContact OE2-NH1 2.69Å; E412-R416 PolarHBondContact OE2-NH1 3.2Å; R413-R416 PolarHBondContact O-N 3.36Å; R413-R416 VanDerWaalsContact O-N 3.12Å; L414-R416 VanDerWaalsContact C-N 3.34Å; L414-R416 PolarHBondContact O-N 2.94Å; R416-R418 PolarHBondContact O-N 2.81Å; R416-R418 VanDerWaalsContact O-N 3.1Å |
| 417 | E | 90.4 | Very high | 93 | Very high | 70 Ų | 70 | 54 Ų | 54 | 33% | 0.327 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -9.9 | 174.4 | -68.8 | 163.3 | -163.5 | 0 | 0 | 114.1 | R387 R413 L414 | R387-E417 IonicContact CZ-OE2 2.94Å; R387-E417 IonicContact NH1-OE2 3.57Å; R387-E417 PolarHBondContact NH1-OE2 2.87Å; R413-E417 WeakPolarHBondContact CG-OE1 3.48Å; R413-E417 IonicContact CZ-OE1 2.7Å; R413-E417 IonicContact NE-OE1 3.84Å; R413-E417 PolarHBondContact NE-OE1 3.32Å; R413-E417 WeakPolarHBondContact O-CB 3.48Å; R413-E417 VanDerWaalsContact O-CG 3.25Å; R413-E417 WeakPolarHBondContact O-CG 3.5Å; R413-E417 PolarHBondContact O-N 3.18Å; L414-E417 CarbonylContact O-C 3.52Å; L414-E417 PolarHBondContact O-N 2.81Å |
| 418 | R | 90.3 | Very high | 93 | Very high | 50 Ų | 50 | 54 Ų | 54 | 19% | 0.189 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -136.9 | 14.8 | -173.2 | -55.7 | -66.5 | 178.2 | -112.6 | 1.6 | 113.7 | R348 E385 L414 G415 R416 G420 S421 | R348-R418 PolarHBondContact O-NE 2.88Å; R348-R418 PolarHBondContact O-NH2 3.27Å; E385-R418 VanDerWaalsContact CD-NH2 3.3Å; E385-R418 IonicContact OE1-NH2 3.52Å; E385-R418 PolarHBondContact OE1-NH2 2.84Å; E385-R418 IonicContact OE2-CZ 3.5Å; E385-R418 IonicContact OE2-NH1 2.92Å; E385-R418 IonicContact OE2-NH2 3.94Å; E385-R418 PolarHBondContact OE2-NH2 3.36Å; L414-R418 HydrophobicContact CD1-CG 3.59Å; L414-R418 HydrophobicContact CG-CG 4.39Å; L414-R418 VanDerWaalsContact O-CB 3.31Å; L414-R418 WeakPolarHBondContact O-CB 3.48Å; L414-R418 WeakPolarHBondContact O-CG 3.29Å; L414-R418 PolarHBondContact O-N 2.74Å; L414-R418 VanDerWaalsContact O-N 3.08Å; G415-R418 CarbonylContact O-C 3.59Å; G415-R418 PolarHBondContact O-N 2.58Å; R416-R418 PolarHBondContact O-N 2.81Å; R416-R418 VanDerWaalsContact O-N 3.1Å; R418-G420 PolarHBondContact O-N 3.44Å; R418-G420 VanDerWaalsContact O-N 3.12Å; R418-S421 VanDerWaalsContact O-CB 3.26Å; R418-S421 WeakPolarHBondContact O-CB 3.48Å; R418-S421 PolarHBondContact O-N 2.92Å; R418-S421 PolarHBondContact O-OG 2.77Å |
| 419 | E | 87.3 | Confident | 93 | Very high | 195 Ų | 195 | 57.3 Ų | 57.3 | 91% | 0.911 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 33.8 | 178 | -62.8 | 170 | -147.8 | 0 | 0 | 114 | G415 S421 | G415-E419 PolarHBondContact O-N 2.96Å; G415-E419 VanDerWaalsContact O-N 3.09Å; E419-S421 PolarHBondContact O-N 3.03Å |
| 420 | G | 81.6 | Confident | 93 | Very high | 48 Ų | 48 | 56.4 Ų | 56.4 | 50% | 0.495 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | -0.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | G415 R418 | G415-G420 PolarHBondContact O-N 3.15Å; R418-G420 PolarHBondContact O-N 3.44Å; R418-G420 VanDerWaalsContact O-N 3.12Å |
| 421 | S | 89 | Confident | 93 | Very high | 58 Ų | 58 | 55.6 Ų | 55.6 | 41% | 0.406 | 29% | 0.285 | S | S | . | . | trans | -66.9 | 160.2 | -178.8 | 69.1 | 0 | 0 | 0 | 0 | 113.8 | R418 E419 | R418-S421 VanDerWaalsContact O-CB 3.26Å; R418-S421 WeakPolarHBondContact O-CB 3.48Å; R418-S421 PolarHBondContact O-N 2.92Å; R418-S421 PolarHBondContact O-OG 2.77Å; E419-S421 PolarHBondContact O-N 3.03Å | ||
| 422 | F | 93.9 | Very high | 92.9 | Very high | 72 Ų | 72 | 57.7 Ų | 57.7 | 32% | 0.316 | 29% | 0.294 | S | S | . | . | trans | -117.8 | 153.5 | 175.5 | 50.5 | -93.2 | 0 | 0 | 0 | 109.7 | R233 P313 P315 H316 S424 | R233-F422 VanDerWaalsContact NH2-CD1 3.28Å; P313-F422 HydrophobicContact CB-CE2 3.85Å; P313-F422 HydrophobicContact CB-CZ 4.05Å; P313-F422 HydrophobicContact CG-CE1 4.31Å; P313-F422 HydrophobicContact CG-CE2 3.76Å; P313-F422 HydrophobicContact CG-CZ 3.6Å; P313-F422 VanDerWaalsContact O-CE2 3.25Å; P313-F422 WeakPolarHBondContact O-CE2 3.39Å; P315-F422 WeakPolarHBondContact O-CB 3.41Å; H316-F422 HydrophobicContact CB-CB 4.48Å; F422-S424 PolarHBondContact O-N 2.68Å | ||
| 423 | H | 96.1 | Very high | 92.8 | Very high | 13 Ų | 13 | 58.3 Ų | 58.3 | 6% | 0.06 | 30% | 0.3 | C | S | . | . | trans | -64.5 | 132.5 | 174 | 179.2 | 63 | 0 | 0 | 0 | 110 | G314 P315 L318 F342 H349 | G314-H423 CarbonylContact C-O 3.6Å; G314-H423 WeakPolarHBondContact CA-O 3.38Å; P315-H423 WeakPolarHBondContact CD-O 3.4Å; P315-H423 HydrophobicContact CG-CB 4.27Å; P315-H423 PolarHBondContact O-N 2.81Å; L318-H423 HydrophobicContact CD1-CB 4.38Å; F342-H423 PolarHBondContact O-CE1 2.76Å; F342-H423 PolarHBondContact O-NE2 2.84Å; H349-H423 HydrophobicContact CB-CB 4.24Å | ||
| 424 | S | 95.1 | Very high | 92.6 | Very high | 50 Ų | 50 | 55.1 Ų | 55.1 | 35% | 0.35 | 29% | 0.29 | S | S | . | . | trans | -146.6 | 159.4 | -179.6 | -171.6 | 0 | 0 | 0 | 0 | 111 | P313 F422 | P313-S424 PolarHBondContact O-OG 3.03Å; F422-S424 PolarHBondContact O-N 2.68Å | ||
| 425 | N | 95.2 | Very high | 92.3 | Very high | 22 Ų | 22 | 59.5 Ų | 59.5 | 12% | 0.118 | 31% | 0.31 | C | S | . | . | trans | -160.5 | 179.1 | 175.8 | 63.2 | 23.9 | 0 | 0 | 0 | 109.7 | Y308 F342 L427 F428 L429 | Y308-N425 WeakPolarHBondContact CE1-OD1 3.42Å; Y308-N425 PolarHBondContact OH-ND2 2.8Å; F342-N425 PolarHBondContact O-ND2 2.8Å; N425-L427 PolarHBondContact O-N 2.87Å; N425-L427 PolarHBondContact OD1-N 2.91Å; N425-F428 WeakPolarHBondContact O-CB 3.44Å; N425-F428 PolarHBondContact O-N 3.14Å; N425-F428 WeakPolarHBondContact OD1-CD2 3.3Å; N425-F428 PolarHBondContact OD1-N 3.13Å; N425-L429 PolarHBondContact O-N 2.89Å | ||
| 426 | D | 95 | Very high | 92 | Very high | 81 Ų | 81 | 66.8 Ų | 66.8 | 43% | 0.433 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -49 | -44.3 | -179.2 | -45.5 | -41.8 | 0 | 0 | 0 | 112.6 | F428 L429 D430 K459 | D426-F428 VanDerWaalsContact C-N 3.32Å; D426-F428 PolarHBondContact O-N 2.93Å; D426-L429 WeakPolarHBondContact O-CA 3.36Å; D426-L429 WeakPolarHBondContact O-CB 3.37Å; D426-L429 PolarHBondContact O-N 2.84Å; D426-D430 PolarHBondContact O-N 2.75Å; D426-K459 IonicContact OD2-NZ 2.64Å; D426-K459 PolarHBondContact OD2-NZ 2.88Å |
| 427 | L | 96.7 | Very high | 91.3 | Very high | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -71.5 | -23.2 | -177.2 | -172.6 | 61.8 | 0 | 0 | 0 | 113.6 | Y308 N425 D430 A431 Y449 K452 V453 Q456 | Y308-L427 HydrophobicContact CD1-CB 4.05Å; Y308-L427 HydrophobicContact CD1-CD2 4Å; Y308-L427 HydrophobicContact CD1-CG 3.77Å; Y308-L427 HydrophobicContact CD2-CD2 3.83Å; Y308-L427 HydrophobicContact CD2-CG 4.41Å; Y308-L427 HydrophobicContact CE1-CB 3.77Å; Y308-L427 HydrophobicContact CE1-CD2 3.87Å; Y308-L427 HydrophobicContact CE1-CG 3.87Å; Y308-L427 HydrophobicContact CE2-CD2 3.67Å; Y308-L427 HydrophobicContact CE2-CG 4.49Å; Y308-L427 HydrophobicContact CG-CD2 3.99Å; Y308-L427 HydrophobicContact CG-CG 4.06Å; N425-L427 PolarHBondContact O-N 2.87Å; N425-L427 PolarHBondContact OD1-N 2.91Å; L427-D430 HydrophobicContact CD1-CB 4.48Å; L427-A431 VanDerWaalsContact O-CB 3.28Å; L427-A431 WeakPolarHBondContact O-CB 3.36Å; L427-A431 PolarHBondContact O-N 2.88Å; L427-Y449 HydrophobicContact CD1-CD2 4.31Å; L427-Y449 HydrophobicContact CD1-CE2 3.64Å; L427-Y449 HydrophobicContact CG-CE2 4.48Å; L427-K452 HydrophobicContact CD1-CB 4.24Å; L427-V453 HydrophobicContact CD1-CB 4.48Å; L427-V453 HydrophobicContact CD1-CG2 3.82Å; L427-V453 HydrophobicContact CD2-CB 4.26Å; L427-V453 HydrophobicContact CD2-CG1 4.34Å; L427-V453 HydrophobicContact CD2-CG2 4.04Å; L427-V453 HydrophobicContact CG-CG2 4.43Å; L427-Q456 HydrophobicContact CB-CB 4.38Å; L427-Q456 HydrophobicContact CB-CG 4.05Å; L427-Q456 HydrophobicContact CD2-CB 4.03Å; L427-Q456 HydrophobicContact CD2-CG 4.23Å |
| 428 | F | 96.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -74.8 | -30.5 | 168.2 | -80.6 | -62 | 0 | 0 | 0 | 112.9 | Y308 S311 P313 P315 F342 N425 D426 Q432 | Y308-F428 AromaticContact CD1-CD1 3.48Å; Y308-F428 HydrophobicContact CD1-CD1 3.48Å; Y308-F428 VanDerWaalsContact CD1-CD1 3.48Å; Y308-F428 AromaticContact CD1-CD2 3.8Å; Y308-F428 HydrophobicContact CD1-CD2 3.8Å; Y308-F428 AromaticContact CD1-CE1 3.38Å; Y308-F428 HydrophobicContact CD1-CE1 3.38Å; Y308-F428 AromaticContact CD1-CE2 3.73Å; Y308-F428 HydrophobicContact CD1-CE2 3.73Å; Y308-F428 AromaticContact CD1-CG 3.68Å; Y308-F428 HydrophobicContact CD1-CG 3.68Å; Y308-F428 AromaticContact CD1-CZ 3.5Å; Y308-F428 HydrophobicContact CD1-CZ 3.5Å; Y308-F428 VanDerWaalsContact CD1-CZ 3.5Å; Y308-F428 HydrophobicContact CE1-CD1 4.04Å; Y308-F428 AromaticContact CE1-CD2 3.44Å; Y308-F428 HydrophobicContact CE1-CD2 3.44Å; Y308-F428 VanDerWaalsContact CE1-CD2 3.44Å; Y308-F428 AromaticContact CE1-CE1 3.9Å; Y308-F428 HydrophobicContact CE1-CE1 3.9Å; Y308-F428 AromaticContact CE1-CE2 3.3Å; Y308-F428 HydrophobicContact CE1-CE2 3.3Å; Y308-F428 AromaticContact CE1-CG 3.81Å; Y308-F428 HydrophobicContact CE1-CG 3.81Å; Y308-F428 AromaticContact CE1-CZ 3.53Å; Y308-F428 HydrophobicContact CE1-CZ 3.53Å; Y308-F428 HydrophobicContact CG-CD1 4.41Å; Y308-F428 HydrophobicContact CG-CE1 4.02Å; Y308-F428 HydrophobicContact CG-CZ 4.2Å; S311-F428 WeakPolarHBondContact OG-CE1 3.4Å; P313-F428 WeakPolarHBondContact O-CB 3.48Å; P315-F428 HydrophobicContact CG-CZ 4.3Å; F342-F428 HydrophobicContact CD1-CE2 4.1Å; F342-F428 HydrophobicContact CD1-CZ 4.05Å; F342-F428 HydrophobicContact CE1-CE2 4.46Å; F342-F428 AromaticContact CE1-CZ 3.95Å; F342-F428 HydrophobicContact CE1-CZ 3.95Å; N425-F428 WeakPolarHBondContact O-CB 3.44Å; N425-F428 PolarHBondContact O-N 3.14Å; N425-F428 WeakPolarHBondContact OD1-CD2 3.3Å; N425-F428 PolarHBondContact OD1-N 3.13Å; D426-F428 VanDerWaalsContact C-N 3.32Å; D426-F428 PolarHBondContact O-N 2.93Å; F428-Q432 WeakPolarHBondContact O-CB 3.45Å; F428-Q432 PolarHBondContact O-N 3.13Å |
| 429 | L | 94.9 | Very high | 88.5 | Confident | 94 Ų | 94 | 64.5 Ų | 64.5 | 49% | 0.492 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.1 | -46 | 172 | -60.2 | 173 | 0 | 0 | 0 | 110.1 | N425 D426 A431 Q432 L433 | N425-L429 PolarHBondContact O-N 2.89Å; D426-L429 WeakPolarHBondContact O-CA 3.36Å; D426-L429 WeakPolarHBondContact O-CB 3.37Å; D426-L429 PolarHBondContact O-N 2.84Å; L429-A431 VanDerWaalsContact C-N 3.35Å; L429-A431 PolarHBondContact O-N 2.7Å; L429-Q432 PolarHBondContact O-N 2.91Å; L429-Q432 VanDerWaalsContact O-N 3.17Å; L429-L433 WeakPolarHBondContact O-CG 2.9Å; L429-L433 PolarHBondContact O-N 3.2Å |
| 430 | D | 94.9 | Very high | 87 | Confident | 34 Ų | 34 | 58 Ų | 58 | 18% | 0.182 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.2 | -43.4 | 173.1 | -79.4 | -48.3 | 0 | 0 | 0 | 112.7 | D426 L427 Q432 L433 L434 Y449 K452 | D426-D430 PolarHBondContact O-N 2.75Å; L427-D430 HydrophobicContact CD1-CB 4.48Å; D430-Q432 VanDerWaalsContact C-N 3.34Å; D430-Q432 PolarHBondContact O-N 2.84Å; D430-L433 PolarHBondContact O-N 3.46Å; D430-L434 WeakPolarHBondContact O-CB 3.35Å; D430-L434 PolarHBondContact O-N 3.09Å; D430-Y449 HydrophobicContact CB-CD2 4.14Å; D430-Y449 HydrophobicContact CB-CE2 4.16Å; D430-K452 IonicContact OD1-NZ 2.64Å; D430-K452 PolarHBondContact OD1-NZ 2.98Å; D430-K452 WeakPolarHBondContact OD2-CD 3.5Å; D430-K452 IonicContact OD2-NZ 2.7Å |
| 431 | A | 94.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.4 | -41 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L309 A312 L427 L429 Q435 Y449 | L309-A431 HydrophobicContact CD2-CB 3.95Å; L309-A431 HydrophobicContact CG-CB 4.39Å; A312-A431 HydrophobicContact CB-CB 4.19Å; L427-A431 VanDerWaalsContact O-CB 3.28Å; L427-A431 WeakPolarHBondContact O-CB 3.36Å; L427-A431 PolarHBondContact O-N 2.88Å; L429-A431 VanDerWaalsContact C-N 3.35Å; L429-A431 PolarHBondContact O-N 2.7Å; A431-Q435 WeakPolarHBondContact O-CG 3.32Å; A431-Q435 PolarHBondContact O-N 2.81Å; A431-Q435 VanDerWaalsContact O-N 3.12Å; A431-Y449 HydrophobicContact CB-CE2 4.05Å |
| 432 | Q | 93.2 | Very high | 85.5 | Confident | 52 Ų | 52 | 57.8 Ų | 57.8 | 24% | 0.243 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -69.9 | -36.4 | 175.9 | -179 | 172 | 82.2 | 0 | 0 | 112.5 | F428 L429 D430 Q435 R436 | F428-Q432 WeakPolarHBondContact O-CB 3.45Å; F428-Q432 PolarHBondContact O-N 3.13Å; L429-Q432 PolarHBondContact O-N 2.91Å; L429-Q432 VanDerWaalsContact O-N 3.17Å; D430-Q432 VanDerWaalsContact C-N 3.34Å; D430-Q432 PolarHBondContact O-N 2.84Å; Q432-Q435 PolarHBondContact O-N 3.42Å; Q432-R436 WeakPolarHBondContact O-CG 3.23Å; Q432-R436 PolarHBondContact O-N 3.36Å; Q432-R436 VanDerWaalsContact O-N 3.11Å |
| 433 | L | 92 | Very high | 85 | Confident | 98 Ų | 98 | 60.4 Ų | 60.4 | 51% | 0.513 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.6 | -50.1 | 174.4 | -73.3 | 170.5 | 0 | 0 | 0 | 110.7 | L429 D430 Q435 R436 T437 | L429-L433 WeakPolarHBondContact O-CG 2.9Å; L429-L433 PolarHBondContact O-N 3.2Å; D430-L433 PolarHBondContact O-N 3.46Å; L433-Q435 VanDerWaalsContact C-N 3.26Å; L433-Q435 PolarHBondContact O-N 3.49Å; L433-R436 WeakPolarHBondContact O-CB 3.39Å; L433-R436 PolarHBondContact O-N 3.28Å; L433-T437 PolarHBondContact O-N 3.3Å; L433-T437 VanDerWaalsContact O-N 3.11Å; L433-T437 PolarHBondContact O-OG1 3.42Å |
| 434 | L | 91 | Very high | 84.6 | Confident | 26 Ų | 26 | 64 Ų | 64 | 14% | 0.136 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.1 | -37.5 | 178.2 | -173.3 | 62.6 | 0 | 0 | 0 | 112.3 | L309 D430 T437 G438 A441 D445 Y446 Y449 | L309-L434 HydrophobicContact CD2-CB 4.47Å; L309-L434 HydrophobicContact CD2-CD2 4.16Å; D430-L434 WeakPolarHBondContact O-CB 3.35Å; D430-L434 PolarHBondContact O-N 3.09Å; L434-T437 PolarHBondContact O-N 3.35Å; L434-G438 PolarHBondContact O-N 3.12Å; L434-A441 HydrophobicContact CD1-CB 3.81Å; L434-D445 HydrophobicContact CD1-CB 3.8Å; L434-Y446 HydrophobicContact CD2-CD2 4.15Å; L434-Y449 HydrophobicContact CD2-CD1 3.88Å; L434-Y449 HydrophobicContact CD2-CD2 4.3Å; L434-Y449 HydrophobicContact CD2-CG 3.71Å |
| 435 | Q | 88 | Confident | 84.3 | Confident | 96 Ų | 96 | 64.1 Ų | 64.1 | 45% | 0.449 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.6 | -34 | 173.3 | -78.1 | 178.8 | -14.5 | 0 | 0 | 113.9 | L309 A431 Q432 L433 G438 | L309-Q435 HydrophobicContact CD2-CG 4.12Å; L309-Q435 PolarHBondContact O-NE2 3.09Å; A431-Q435 WeakPolarHBondContact O-CG 3.32Å; A431-Q435 PolarHBondContact O-N 2.81Å; A431-Q435 VanDerWaalsContact O-N 3.12Å; Q432-Q435 PolarHBondContact O-N 3.42Å; L433-Q435 VanDerWaalsContact C-N 3.26Å; L433-Q435 PolarHBondContact O-N 3.49Å; Q435-G438 PolarHBondContact O-N 3.37Å |
| 436 | R | 84.9 | Confident | 84 | Confident | 179 Ų | 179 | 65.6 Ų | 65.6 | 68% | 0.675 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -72.8 | -31.2 | 177 | -72.6 | 174.4 | -176.9 | -179.4 | 4.8 | 112.4 | Q432 L433 G438 | Q432-R436 WeakPolarHBondContact O-CG 3.23Å; Q432-R436 PolarHBondContact O-N 3.36Å; Q432-R436 VanDerWaalsContact O-N 3.11Å; L433-R436 WeakPolarHBondContact O-CB 3.39Å; L433-R436 PolarHBondContact O-N 3.28Å; R436-G438 PolarHBondContact O-N 2.87Å |
| 437 | T | 77.3 | Confident | 83.8 | Confident | 74 Ų | 74 | 68.3 Ų | 68.3 | 45% | 0.454 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.7 | -24.5 | 172 | -45.1 | 0 | 0 | 0 | 0 | 112.1 | L433 L434 G440 A441 | L433-T437 PolarHBondContact O-N 3.3Å; L433-T437 VanDerWaalsContact O-N 3.11Å; L433-T437 PolarHBondContact O-OG1 3.42Å; L434-T437 PolarHBondContact O-N 3.35Å; T437-G440 PolarHBondContact O-N 3.11Å; T437-G440 VanDerWaalsContact O-N 3.14Å; T437-A441 HydrophobicContact CG2-CB 4.12Å |
| 438 | G | 67.7 | Low | 83.7 | Confident | 41 Ų | 41 | 73.6 Ų | 73.6 | 42% | 0.423 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | 59.5 | -137 | 166.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L434 Q435 R436 G440 A441 | L434-G438 PolarHBondContact O-N 3.12Å; Q435-G438 PolarHBondContact O-N 3.37Å; R436-G438 PolarHBondContact O-N 2.87Å; G438-G440 PolarHBondContact O-N 3.18Å; G438-G440 VanDerWaalsContact O-N 3.13Å; G438-A441 WeakPolarHBondContact O-CB 3.5Å; G438-A441 PolarHBondContact O-N 3.45Å; G438-A441 VanDerWaalsContact O-N 3.09Å |
| 439 | A | 53.1 | Low | 83.6 | Confident | 120 Ų | 120 | 74 Ų | 74 | 99% | 0.992 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -68.9 | -3.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 440 | G | 56 | Low | 83.6 | Confident | 60 Ų | 60 | 70.9 Ų | 70.9 | 62% | 0.619 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -89.9 | -8.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | T437 G438 C442 | T437-G440 PolarHBondContact O-N 3.11Å; T437-G440 VanDerWaalsContact O-N 3.14Å; G438-G440 PolarHBondContact O-N 3.18Å; G438-G440 VanDerWaalsContact O-N 3.13Å; G440-C442 PolarHBondContact O-N 3.45Å |
| 441 | A | 62.3 | Low | 83.7 | Confident | 37 Ų | 37 | 71.9 Ų | 71.9 | 31% | 0.306 | 40% | 0.4 | S | S | . | . | trans | -65 | 116 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | L434 T437 G438 | L434-A441 HydrophobicContact CD1-CB 3.81Å; T437-A441 HydrophobicContact CG2-CB 4.12Å; G438-A441 WeakPolarHBondContact O-CB 3.5Å; G438-A441 PolarHBondContact O-N 3.45Å; G438-A441 VanDerWaalsContact O-N 3.09Å | ||
| 442 | C | 76.8 | Confident | 83.8 | Confident | 64 Ų | 64 | 76.2 Ų | 76.2 | 43% | 0.432 | 42% | 0.419 | S | S | . | . | trans | -81.3 | 168.8 | -177.7 | 76.3 | 0 | 0 | 0 | 0 | 111.7 | G440 E444 D445 Y446 | G440-C442 PolarHBondContact O-N 3.45Å; C442-E444 PolarHBondContact O-N 3.22Å; C442-E444 VanDerWaalsContact O-N 3.11Å; C442-E444 PolarHBondContact SG-N 2.89Å; C442-D445 PolarHBondContact N-OD2 3.01Å; C442-D445 PolarHBondContact O-N 2.83Å; C442-D445 VanDerWaalsContact O-N 3.1Å; C442-D445 PolarHBondContact SG-N 3.25Å; C442-D445 VanDerWaalsContact SG-N 3.44Å; C442-D445 PolarHBondContact SG-OD2 3.06Å; C442-Y446 PolarHBondContact O-N 3.33Å | ||
| 443 | Q | 83.1 | Confident | 84 | Confident | 126 Ų | 126 | 73.7 Ų | 73.7 | 59% | 0.589 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -59.2 | -24.4 | 177.1 | -176.1 | 56.5 | 74.8 | 0 | 0 | 112.7 | R447 | Q443-R447 WeakPolarHBondContact O-CG 3.35Å; Q443-R447 PolarHBondContact O-N 2.85Å |
| 444 | E | 87.1 | Confident | 84.2 | Confident | 88 Ų | 88 | 72 Ų | 72 | 41% | 0.411 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -79.4 | -34.9 | 177.1 | -151.1 | 58.1 | -146.1 | 0 | 0 | 112.5 | C442 Y446 R447 Q448 | C442-E444 PolarHBondContact O-N 3.22Å; C442-E444 VanDerWaalsContact O-N 3.11Å; C442-E444 PolarHBondContact SG-N 2.89Å; E444-Y446 VanDerWaalsContact C-N 3.33Å; E444-Y446 PolarHBondContact O-N 2.95Å; E444-R447 WeakPolarHBondContact O-CB 3.31Å; E444-R447 PolarHBondContact O-N 3.04Å; E444-R447 VanDerWaalsContact O-N 3.14Å; E444-R447 WeakPolarHBondContact OE2-CD 3.41Å; E444-R447 IonicContact OE2-CZ 3.34Å; E444-R447 IonicContact OE2-NE 3.65Å; E444-R447 IonicContact OE2-NH1 2.64Å; E444-R447 PolarHBondContact OE2-NH1 3.25Å; E444-Q448 WeakPolarHBondContact O-CG 3.17Å; E444-Q448 PolarHBondContact O-N 2.83Å |
| 445 | D | 89.5 | Confident | 84.4 | Confident | 53 Ų | 53 | 78.4 Ų | 78.4 | 28% | 0.283 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 175 | -58.4 | -45.4 | 0 | 0 | 0 | 110.9 | L434 C442 R447 Q448 Y449 | L434-D445 HydrophobicContact CD1-CB 3.8Å; C442-D445 PolarHBondContact N-OD2 3.01Å; C442-D445 PolarHBondContact O-N 2.83Å; C442-D445 VanDerWaalsContact O-N 3.1Å; C442-D445 PolarHBondContact SG-N 3.25Å; C442-D445 VanDerWaalsContact SG-N 3.44Å; C442-D445 PolarHBondContact SG-OD2 3.06Å; D445-R447 VanDerWaalsContact C-N 3.35Å; D445-Q448 PolarHBondContact O-N 3.46Å; D445-Y449 WeakPolarHBondContact O-CB 3.44Å; D445-Y449 PolarHBondContact O-N 3.2Å |
| 446 | Y | 89.5 | Confident | 84.8 | Confident | 54 Ų | 54 | 74.1 Ų | 74.1 | 21% | 0.212 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -69.3 | -30.3 | 175.1 | -173.2 | -104.2 | 0 | 0 | 0 | 112.5 | K302 D306 L309 L434 C442 E444 Y449 Q450 | K302-Y446 WeakPolarHBondContact CE-OH 3.45Å; D306-Y446 PolarHBondContact OD1-OH 3.06Å; L309-Y446 HydrophobicContact CD1-CE2 4.17Å; L434-Y446 HydrophobicContact CD2-CD2 4.15Å; C442-Y446 PolarHBondContact O-N 3.33Å; E444-Y446 VanDerWaalsContact C-N 3.33Å; E444-Y446 PolarHBondContact O-N 2.95Å; Y446-Y449 HydrophobicContact CD2-CD1 4.41Å; Y446-Y449 HydrophobicContact CE2-CD1 4.48Å; Y446-Q450 HydrophobicContact CD1-CG 4.45Å; Y446-Q450 HydrophobicContact CE1-CG 4.15Å; Y446-Q450 WeakPolarHBondContact O-CG 3.34Å; Y446-Q450 PolarHBondContact O-N 3.09Å; Y446-Q450 PolarHBondContact OH-NE2 3.35Å |
| 447 | R | 91.3 | Very high | 85.4 | Confident | 138 Ų | 138 | 65.7 Ų | 65.7 | 52% | 0.521 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -68 | -47.6 | 171.7 | -79 | 165.6 | 167.8 | 178.3 | -4.6 | 111.8 | Q443 E444 D445 Y449 Q450 A451 | Q443-R447 WeakPolarHBondContact O-CG 3.35Å; Q443-R447 PolarHBondContact O-N 2.85Å; E444-R447 WeakPolarHBondContact O-CB 3.31Å; E444-R447 PolarHBondContact O-N 3.04Å; E444-R447 VanDerWaalsContact O-N 3.14Å; E444-R447 WeakPolarHBondContact OE2-CD 3.41Å; E444-R447 IonicContact OE2-CZ 3.34Å; E444-R447 IonicContact OE2-NE 3.65Å; E444-R447 IonicContact OE2-NH1 2.64Å; E444-R447 PolarHBondContact OE2-NH1 3.25Å; D445-R447 VanDerWaalsContact C-N 3.35Å; R447-Y449 VanDerWaalsContact C-N 3.26Å; R447-Y449 PolarHBondContact O-N 3.41Å; R447-Q450 PolarHBondContact O-N 3.42Å; R447-Q450 VanDerWaalsContact O-N 3.14Å; R447-A451 PolarHBondContact O-N 3.34Å |
| 448 | Q | 93.9 | Very high | 86.2 | Confident | 112 Ų | 112 | 65 Ų | 65 | 52% | 0.523 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.1 | -39.6 | 175.2 | -69.6 | 178.7 | 31.1 | 0 | 0 | 111 | E444 D445 A451 K452 | E444-Q448 WeakPolarHBondContact O-CG 3.17Å; E444-Q448 PolarHBondContact O-N 2.83Å; D445-Q448 PolarHBondContact O-N 3.46Å; Q448-A451 PolarHBondContact O-N 3.06Å; Q448-K452 WeakPolarHBondContact O-CG 3.4Å; Q448-K452 PolarHBondContact O-N 2.94Å |
| 449 | Y | 95 | Very high | 87.6 | Confident | 7 Ų | 7 | 65.7 Ų | 65.7 | 3% | 0.027 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.7 | -46.3 | 171.9 | 179.3 | -107.3 | 0 | 0 | 0 | 112.5 | G305 Y308 L309 L427 D430 A431 L434 D445 Y446 R447 A451 K452 V453 | G305-Y449 PolarHBondContact O-OH 3.46Å; Y308-Y449 WeakPolarHBondContact CB-OH 3.43Å; L309-Y449 HydrophobicContact CD1-CD1 4.27Å; L309-Y449 HydrophobicContact CD1-CE1 3.69Å; L309-Y449 HydrophobicContact CD2-CE1 4.37Å; L309-Y449 HydrophobicContact CG-CE1 3.84Å; L427-Y449 HydrophobicContact CD1-CD2 4.31Å; L427-Y449 HydrophobicContact CD1-CE2 3.64Å; L427-Y449 HydrophobicContact CG-CE2 4.48Å; D430-Y449 HydrophobicContact CB-CD2 4.14Å; D430-Y449 HydrophobicContact CB-CE2 4.16Å; A431-Y449 HydrophobicContact CB-CE2 4.05Å; L434-Y449 HydrophobicContact CD2-CD1 3.88Å; L434-Y449 HydrophobicContact CD2-CD2 4.3Å; L434-Y449 HydrophobicContact CD2-CG 3.71Å; D445-Y449 WeakPolarHBondContact O-CB 3.44Å; D445-Y449 PolarHBondContact O-N 3.2Å; Y446-Y449 HydrophobicContact CD2-CD1 4.41Å; Y446-Y449 HydrophobicContact CE2-CD1 4.48Å; R447-Y449 VanDerWaalsContact C-N 3.26Å; R447-Y449 PolarHBondContact O-N 3.41Å; Y449-A451 PolarHBondContact O-N 3.25Å; Y449-K452 WeakPolarHBondContact O-CB 3.22Å; Y449-K452 PolarHBondContact O-N 3.38Å; Y449-K452 VanDerWaalsContact O-N 3.15Å; Y449-V453 HydrophobicContact CD1-CG2 4.25Å; Y449-V453 HydrophobicContact CE1-CG2 3.79Å; Y449-V453 HydrophobicContact CE2-CG2 4.32Å; Y449-V453 WeakPolarHBondContact O-CG2 3.42Å; Y449-V453 PolarHBondContact O-N 3.26Å |
| 450 | Q | 94.8 | Very high | 89.6 | Confident | 29 Ų | 29 | 60.5 Ų | 60.5 | 14% | 0.136 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.1 | -41.5 | 175.6 | -76.7 | -168.8 | -13.2 | 0 | 0 | 112.8 | Y446 R447 K452 V453 E454 | Y446-Q450 HydrophobicContact CD1-CG 4.45Å; Y446-Q450 HydrophobicContact CE1-CG 4.15Å; Y446-Q450 WeakPolarHBondContact O-CG 3.34Å; Y446-Q450 PolarHBondContact O-N 3.09Å; Y446-Q450 PolarHBondContact OH-NE2 3.35Å; R447-Q450 PolarHBondContact O-N 3.42Å; R447-Q450 VanDerWaalsContact O-N 3.14Å; Q450-K452 VanDerWaalsContact C-N 3.29Å; Q450-K452 PolarHBondContact O-N 3.43Å; Q450-V453 WeakPolarHBondContact O-CB 3.25Å; Q450-V453 PolarHBondContact O-N 3.05Å; Q450-V453 VanDerWaalsContact O-N 3.09Å; Q450-E454 PolarHBondContact O-N 2.95Å |
| 451 | A | 95.9 | Very high | 91.5 | Very high | 56 Ų | 56 | 57.9 Ų | 57.9 | 46% | 0.463 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.1 | -37.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R447 Q448 Y449 W455 | R447-A451 PolarHBondContact O-N 3.34Å; Q448-A451 PolarHBondContact O-N 3.06Å; Y449-A451 PolarHBondContact O-N 3.25Å; A451-W455 WeakPolarHBondContact O-CB 3.27Å; A451-W455 PolarHBondContact O-N 3.02Å |
| 452 | K | 97.3 | Very high | 93 | Very high | 90 Ų | 90 | 60.7 Ų | 60.7 | 39% | 0.391 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.3 | -37.2 | 172 | -73.3 | 169.7 | 161 | -167.6 | 0 | 112.8 | L427 D430 Q448 Y449 Q450 Q456 | L427-K452 HydrophobicContact CD1-CB 4.24Å; D430-K452 IonicContact OD1-NZ 2.64Å; D430-K452 PolarHBondContact OD1-NZ 2.98Å; D430-K452 WeakPolarHBondContact OD2-CD 3.5Å; D430-K452 IonicContact OD2-NZ 2.7Å; Q448-K452 WeakPolarHBondContact O-CG 3.4Å; Q448-K452 PolarHBondContact O-N 2.94Å; Y449-K452 WeakPolarHBondContact O-CB 3.22Å; Y449-K452 PolarHBondContact O-N 3.38Å; Y449-K452 VanDerWaalsContact O-N 3.15Å; Q450-K452 VanDerWaalsContact C-N 3.29Å; Q450-K452 PolarHBondContact O-N 3.43Å; K452-Q456 VanDerWaalsContact O-CB 3.31Å; K452-Q456 WeakPolarHBondContact O-CB 3.36Å; K452-Q456 PolarHBondContact O-N 2.03Å |
| 453 | V | 96.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.9 | -49.8 | 173.1 | 176.1 | 0 | 0 | 0 | 0 | 110.6 | Y301 I304 L427 Y449 Q450 Q456 V457 | Y301-V453 WeakPolarHBondContact O-CG1 3.25Å; I304-V453 HydrophobicContact CB-CG1 4.01Å; I304-V453 HydrophobicContact CG2-CG1 3.68Å; L427-V453 HydrophobicContact CD1-CB 4.48Å; L427-V453 HydrophobicContact CD1-CG2 3.82Å; L427-V453 HydrophobicContact CD2-CB 4.26Å; L427-V453 HydrophobicContact CD2-CG1 4.34Å; L427-V453 HydrophobicContact CD2-CG2 4.04Å; L427-V453 HydrophobicContact CG-CG2 4.43Å; Y449-V453 HydrophobicContact CD1-CG2 4.25Å; Y449-V453 HydrophobicContact CE1-CG2 3.79Å; Y449-V453 HydrophobicContact CE2-CG2 4.32Å; Y449-V453 WeakPolarHBondContact O-CG2 3.42Å; Y449-V453 PolarHBondContact O-N 3.26Å; Q450-V453 WeakPolarHBondContact O-CB 3.25Å; Q450-V453 PolarHBondContact O-N 3.05Å; Q450-V453 VanDerWaalsContact O-N 3.09Å; V453-Q456 PolarHBondContact O-N 3.41Å; V453-V457 VanDerWaalsContact O-CG2 3.28Å; V453-V457 WeakPolarHBondContact O-CG2 3.05Å; V453-V457 PolarHBondContact O-N 3.48Å; V453-V457 VanDerWaalsContact O-N 3.09Å |
| 454 | E | 96.2 | Very high | 94.3 | Very high | 61 Ų | 61 | 55.5 Ų | 55.5 | 29% | 0.285 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.2 | -49.2 | 178.2 | -74.1 | 170.2 | -137.2 | 0 | 0 | 111.6 | Q298 Y301 Q450 V457 E458 | Q298-E454 PolarHBondContact NE2-OE1 2.74Å; Y301-E454 HydrophobicContact CD1-CB 4.46Å; Y301-E454 HydrophobicContact CD1-CG 3.81Å; Y301-E454 HydrophobicContact CD2-CG 3.66Å; Y301-E454 HydrophobicContact CE1-CG 4.28Å; Y301-E454 HydrophobicContact CE2-CG 4.13Å; Y301-E454 HydrophobicContact CG-CG 3.48Å; Y301-E454 VanDerWaalsContact CG-CG 3.48Å; Q450-E454 PolarHBondContact O-N 2.95Å; E454-V457 PolarHBondContact O-N 2.99Å; E454-E458 PolarHBondContact O-N 2.84Å |
| 455 | W | 96.9 | Very high | 94.4 | Very high | 162 Ų | 162 | 56.3 Ų | 56.3 | 61% | 0.614 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -61.3 | -46.6 | 179 | -178.6 | 86 | 0 | 0 | 0 | 112.8 | A451 V457 E458 K459 | A451-W455 WeakPolarHBondContact O-CB 3.27Å; A451-W455 PolarHBondContact O-N 3.02Å; W455-V457 VanDerWaalsContact C-N 3.34Å; W455-V457 PolarHBondContact O-N 3.01Å; W455-E458 PolarHBondContact O-N 2.86Å; W455-K459 HydrophobicContact CE3-CD 4.48Å; W455-K459 HydrophobicContact CH2-CD 3.67Å; W455-K459 HydrophobicContact CZ2-CD 4.27Å; W455-K459 HydrophobicContact CZ3-CD 3.79Å; W455-K459 WeakPolarHBondContact O-CB 3.45Å; W455-K459 PolarHBondContact O-N 2.71Å |
| 456 | Q | 96.6 | Very high | 94.5 | Very high | 6 Ų | 6 | 59.3 Ų | 59.3 | 3% | 0.028 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.9 | -39.8 | -179.7 | -170.5 | 75.8 | 15.5 | 0 | 0 | 111.6 | L427 K452 V453 K459 H460 | L427-Q456 HydrophobicContact CB-CB 4.38Å; L427-Q456 HydrophobicContact CB-CG 4.05Å; L427-Q456 HydrophobicContact CD2-CB 4.03Å; L427-Q456 HydrophobicContact CD2-CG 4.23Å; K452-Q456 VanDerWaalsContact O-CB 3.31Å; K452-Q456 WeakPolarHBondContact O-CB 3.36Å; K452-Q456 PolarHBondContact O-N 2.03Å; V453-Q456 PolarHBondContact O-N 3.41Å; Q456-K459 PolarHBondContact O-N 3.18Å; Q456-H460 PolarHBondContact NE2-NE2 3.42Å; Q456-H460 VanDerWaalsContact O-CG 3.26Å; Q456-H460 PolarHBondContact O-N 2.76Å; Q456-H460 PolarHBondContact O-ND1 2.9Å |
| 457 | V | 95.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.012 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.4 | -40 | 178.1 | 173 | 0 | 0 | 0 | 0 | 111.1 | Y301 I304 V453 E454 W455 H460 K461 | Y301-V457 HydrophobicContact CE1-CB 3.99Å; Y301-V457 HydrophobicContact CE1-CG1 3.86Å; I304-V457 HydrophobicContact CD1-CG2 4.37Å; I304-V457 HydrophobicContact CG2-CG2 4.16Å; V453-V457 VanDerWaalsContact O-CG2 3.28Å; V453-V457 WeakPolarHBondContact O-CG2 3.05Å; V453-V457 PolarHBondContact O-N 3.48Å; V453-V457 VanDerWaalsContact O-N 3.09Å; E454-V457 PolarHBondContact O-N 2.99Å; W455-V457 VanDerWaalsContact C-N 3.34Å; W455-V457 PolarHBondContact O-N 3.01Å; V457-H460 PolarHBondContact O-N 2.65Å; V457-K461 HydrophobicContact CG1-CD 4.2Å; V457-K461 WeakPolarHBondContact O-CB 3.41Å; V457-K461 VanDerWaalsContact O-CG 3.24Å; V457-K461 WeakPolarHBondContact O-CG 3.28Å; V457-K461 PolarHBondContact O-N 3.15Å |
| 458 | E | 95.4 | Very high | 94.1 | Very high | 58 Ų | 58 | 58.7 Ų | 58.7 | 27% | 0.271 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -71.7 | -33.9 | 175.6 | -166.5 | 55.7 | -139.1 | 0 | 0 | 112.7 | E454 W455 K461 Q462 R465 | E454-E458 PolarHBondContact O-N 2.84Å; W455-E458 PolarHBondContact O-N 2.86Å; E458-K461 WeakPolarHBondContact O-CB 3.41Å; E458-K461 PolarHBondContact O-N 2.98Å; E458-K461 WeakPolarHBondContact OE2-CD 3.4Å; E458-K461 IonicContact OE2-NZ 2.73Å; E458-Q462 VanDerWaalsContact O-CG 3.32Å; E458-Q462 WeakPolarHBondContact O-CG 3.4Å; E458-Q462 PolarHBondContact O-N 2.76Å; E458-R465 IonicContact OE1-CZ 3.64Å; E458-R465 VanDerWaalsContact OE1-CZ 3.3Å; E458-R465 IonicContact OE1-NH1 2.7Å; E458-R465 PolarHBondContact OE1-NH1 3.38Å; E458-R465 IonicContact OE1-NH2 3.99Å; E458-R465 PolarHBondContact OE1-NH2 2.74Å |
| 459 | K | 96 | Very high | 93.6 | Very high | 57 Ų | 57 | 57.1 Ų | 57.1 | 25% | 0.248 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.5 | -54 | 168.2 | 170.3 | -178.4 | 167.5 | -171 | 0 | 111.2 | D426 W455 Q456 K461 Q462 E463 | D426-K459 IonicContact OD2-NZ 2.64Å; D426-K459 PolarHBondContact OD2-NZ 2.88Å; W455-K459 HydrophobicContact CE3-CD 4.48Å; W455-K459 HydrophobicContact CH2-CD 3.67Å; W455-K459 HydrophobicContact CZ2-CD 4.27Å; W455-K459 HydrophobicContact CZ3-CD 3.79Å; W455-K459 WeakPolarHBondContact O-CB 3.45Å; W455-K459 PolarHBondContact O-N 2.71Å; Q456-K459 PolarHBondContact O-N 3.18Å; K459-K461 VanDerWaalsContact C-N 3.29Å; K459-K461 PolarHBondContact O-N 3.16Å; K459-Q462 WeakPolarHBondContact O-CB 3.45Å; K459-Q462 PolarHBondContact O-N 3.42Å; K459-Q462 VanDerWaalsContact O-N 3.11Å; K459-E463 WeakPolarHBondContact CE-OE1 3.37Å; K459-E463 WeakPolarHBondContact CG-OE1 3.1Å; K459-E463 WeakPolarHBondContact O-CG 3.23Å; K459-E463 PolarHBondContact O-N 3.01Å |
| 460 | H | 96.6 | Very high | 93 | Very high | 10 Ų | 10 | 60.5 Ų | 60.5 | 5% | 0.046 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61 | -35.7 | 176.5 | -64.1 | 153.9 | 0 | 0 | 0 | 112.6 | E340 G343 Q456 V457 E463 L464 | E340-H460 VanDerWaalsContact O-CB 3.23Å; E340-H460 WeakPolarHBondContact O-CB 3.07Å; E340-H460 PolarHBondContact O-ND1 3.2Å; G343-H460 PolarHBondContact N-CE1 2.9Å; G343-H460 PolarHBondContact N-ND1 2.85Å; Q456-H460 PolarHBondContact NE2-NE2 3.42Å; Q456-H460 VanDerWaalsContact O-CG 3.26Å; Q456-H460 PolarHBondContact O-N 2.76Å; Q456-H460 PolarHBondContact O-ND1 2.9Å; V457-H460 PolarHBondContact O-N 2.65Å; H460-E463 IonicContact CD2-OE2 2.87Å; H460-L464 WeakPolarHBondContact O-CB 3.47Å; H460-L464 PolarHBondContact O-N 2.81Å |
| 461 | K | 94.7 | Very high | 92.4 | Very high | 6 Ų | 6 | 67.9 Ų | 67.9 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.8 | -41 | 173.4 | -76.4 | 165.9 | 175.6 | 176.9 | 0 | 111.9 | D296 Y301 E340 V457 E458 K459 R465 | D296-K461 IonicContact OD1-NZ 3.62Å; D296-K461 PolarHBondContact OD1-NZ 2.96Å; D296-K461 IonicContact OD2-NZ 3.45Å; D296-K461 PolarHBondContact OD2-NZ 3.33Å; Y301-K461 PolarHBondContact OH-NZ 3.3Å; E340-K461 HydrophobicContact CB-CG 3.87Å; E340-K461 HydrophobicContact CG-CG 3.59Å; E340-K461 WeakPolarHBondContact OE2-CE 3.46Å; V457-K461 HydrophobicContact CG1-CD 4.2Å; V457-K461 WeakPolarHBondContact O-CB 3.41Å; V457-K461 VanDerWaalsContact O-CG 3.24Å; V457-K461 WeakPolarHBondContact O-CG 3.28Å; V457-K461 PolarHBondContact O-N 3.15Å; E458-K461 WeakPolarHBondContact O-CB 3.41Å; E458-K461 PolarHBondContact O-N 2.98Å; E458-K461 WeakPolarHBondContact OE2-CD 3.4Å; E458-K461 IonicContact OE2-NZ 2.73Å; K459-K461 VanDerWaalsContact C-N 3.29Å; K459-K461 PolarHBondContact O-N 3.16Å; K461-R465 VanDerWaalsContact O-CG 3.27Å; K461-R465 WeakPolarHBondContact O-CG 3.4Å; K461-R465 PolarHBondContact O-N 3.41Å; K461-R465 PolarHBondContact O-NE 3.18Å |
| 462 | Q | 94.6 | Very high | 91.5 | Very high | 96 Ų | 96 | 67.2 Ų | 67.2 | 45% | 0.449 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.6 | -55.8 | 174.8 | -72.1 | 171.4 | 14.8 | 0 | 0 | 110.7 | E458 K459 L464 R465 E466 | E458-Q462 VanDerWaalsContact O-CG 3.32Å; E458-Q462 WeakPolarHBondContact O-CG 3.4Å; E458-Q462 PolarHBondContact O-N 2.76Å; K459-Q462 WeakPolarHBondContact O-CB 3.45Å; K459-Q462 PolarHBondContact O-N 3.42Å; K459-Q462 VanDerWaalsContact O-N 3.11Å; Q462-L464 PolarHBondContact O-N 3.29Å; Q462-R465 PolarHBondContact O-N 3.01Å; Q462-E466 WeakPolarHBondContact O-CG 3.19Å; Q462-E466 PolarHBondContact O-N 2.81Å |
| 463 | E | 93.6 | Very high | 90.6 | Very high | 69 Ų | 69 | 69.9 Ų | 69.9 | 32% | 0.322 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -52.1 | -40.5 | 176.3 | -69.1 | 169.7 | -179.1 | 0 | 0 | 112 | K459 H460 N467 | K459-E463 WeakPolarHBondContact CE-OE1 3.37Å; K459-E463 WeakPolarHBondContact CG-OE1 3.1Å; K459-E463 WeakPolarHBondContact O-CG 3.23Å; K459-E463 PolarHBondContact O-N 3.01Å; H460-E463 IonicContact CD2-OE2 2.87Å; E463-N467 WeakPolarHBondContact O-CB 3.4Å; E463-N467 PolarHBondContact O-N 3.16Å; E463-N467 PolarHBondContact O-ND2 2.97Å |
| 464 | L | 92.9 | Very high | 89.6 | Confident | 12 Ų | 12 | 76 Ų | 76 | 6% | 0.063 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.7 | -45.9 | 177.6 | -176.4 | 61.8 | 0 | 0 | 0 | 112.2 | R336 K339 E340 T344 H460 Q462 E466 N467 E468 | R336-L464 HydrophobicContact CG-CD2 3.83Å; K339-L464 HydrophobicContact CB-CD1 4.45Å; K339-L464 HydrophobicContact CB-CD2 4.08Å; K339-L464 HydrophobicContact CD-CD1 4.25Å; E340-L464 HydrophobicContact CG-CD2 3.91Å; T344-L464 HydrophobicContact CG2-CD1 4.02Å; H460-L464 WeakPolarHBondContact O-CB 3.47Å; H460-L464 PolarHBondContact O-N 2.81Å; Q462-L464 PolarHBondContact O-N 3.29Å; L464-E466 VanDerWaalsContact C-N 3.31Å; L464-E466 PolarHBondContact O-N 3.03Å; L464-N467 PolarHBondContact O-N 3.18Å; L464-E468 HydrophobicContact CD1-CG 4.45Å; L464-E468 WeakPolarHBondContact O-CB 3.45Å; L464-E468 VanDerWaalsContact O-CG 3.29Å; L464-E468 WeakPolarHBondContact O-CG 3.38Å; L464-E468 PolarHBondContact O-N 3.43Å |
| 465 | R | 90.4 | Very high | 88.9 | Confident | 104 Ų | 104 | 74.5 Ų | 74.5 | 39% | 0.392 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.4 | -37.3 | 177.8 | -72 | 179.8 | -55.3 | -124.1 | 5.4 | 111.9 | E458 K461 Q462 S469 | E458-R465 IonicContact OE1-CZ 3.64Å; E458-R465 VanDerWaalsContact OE1-CZ 3.3Å; E458-R465 IonicContact OE1-NH1 2.7Å; E458-R465 PolarHBondContact OE1-NH1 3.38Å; E458-R465 IonicContact OE1-NH2 3.99Å; E458-R465 PolarHBondContact OE1-NH2 2.74Å; K461-R465 VanDerWaalsContact O-CG 3.27Å; K461-R465 WeakPolarHBondContact O-CG 3.4Å; K461-R465 PolarHBondContact O-N 3.41Å; K461-R465 PolarHBondContact O-NE 3.18Å; Q462-R465 PolarHBondContact O-N 3.01Å; R465-S469 WeakPolarHBondContact O-CB 3.48Å; R465-S469 PolarHBondContact O-N 2.79Å; R465-S469 PolarHBondContact O-OG 3.03Å |
| 466 | E | 89.7 | Confident | 88.3 | Confident | 117 Ų | 117 | 72.7 Ų | 72.7 | 55% | 0.547 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.3 | -43.4 | 174.3 | -72.4 | 177 | -169 | 0 | 0 | 111.9 | Q462 L464 S469 N470 | Q462-E466 WeakPolarHBondContact O-CG 3.19Å; Q462-E466 PolarHBondContact O-N 2.81Å; L464-E466 VanDerWaalsContact C-N 3.31Å; L464-E466 PolarHBondContact O-N 3.03Å; E466-S469 PolarHBondContact O-N 2.99Å; E466-N470 VanDerWaalsContact O-CB 3.25Å; E466-N470 WeakPolarHBondContact O-CB 3.05Å; E466-N470 VanDerWaalsContact O-CG 3.32Å; E466-N470 PolarHBondContact O-N 3.24Å; E466-N470 PolarHBondContact O-ND2 2.88Å |
| 467 | N | 87.3 | Confident | 87.6 | Confident | 95 Ų | 95 | 76.4 Ų | 76.4 | 51% | 0.508 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.1 | -39.4 | 175.9 | -83.4 | -69.4 | 0 | 0 | 0 | 112.6 | E463 L464 W471 | E463-N467 WeakPolarHBondContact O-CB 3.4Å; E463-N467 PolarHBondContact O-N 3.16Å; E463-N467 PolarHBondContact O-ND2 2.97Å; L464-N467 PolarHBondContact O-N 3.18Å; N467-W471 VanDerWaalsContact O-CB 3.28Å; N467-W471 WeakPolarHBondContact O-CB 3.38Å; N467-W471 PolarHBondContact O-N 3.23Å |
| 468 | E | 85.8 | Confident | 87.1 | Confident | 83 Ų | 83 | 85.4 Ų | 85.4 | 39% | 0.388 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.7 | -45.5 | 172.8 | -73.4 | 176.6 | 147.3 | 0 | 0 | 111.2 | R336 L464 W471 A472 | R336-E468 IonicContact CZ-OE1 3.38Å; R336-E468 IonicContact CZ-OE2 2.81Å; R336-E468 VanDerWaalsContact CZ-OE2 3.29Å; R336-E468 IonicContact NH1-OE1 3.64Å; R336-E468 PolarHBondContact NH1-OE1 3.03Å; R336-E468 IonicContact NH1-OE2 3.66Å; R336-E468 PolarHBondContact NH1-OE2 3.2Å; R336-E468 IonicContact NH2-OE1 3.26Å; R336-E468 IonicContact NH2-OE2 2.76Å; R336-E468 PolarHBondContact NH2-OE2 3.43Å; L464-E468 HydrophobicContact CD1-CG 4.45Å; L464-E468 WeakPolarHBondContact O-CB 3.45Å; L464-E468 VanDerWaalsContact O-CG 3.29Å; L464-E468 WeakPolarHBondContact O-CG 3.38Å; L464-E468 PolarHBondContact O-N 3.43Å; E468-W471 PolarHBondContact O-N 2.86Å; E468-A472 PolarHBondContact O-N 2.85Å |
| 469 | S | 83.6 | Confident | 86.7 | Confident | 80 Ų | 80 | 86.3 Ų | 86.3 | 56% | 0.559 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -66.4 | -45.9 | 178.1 | -56.7 | 0 | 0 | 0 | 0 | 112.5 | R465 E466 W471 A472 Y473 | R465-S469 WeakPolarHBondContact O-CB 3.48Å; R465-S469 PolarHBondContact O-N 2.79Å; R465-S469 PolarHBondContact O-OG 3.03Å; E466-S469 PolarHBondContact O-N 2.99Å; S469-W471 VanDerWaalsContact C-N 3.3Å; S469-W471 PolarHBondContact O-N 2.79Å; S469-A472 PolarHBondContact O-N 3.48Å; S469-Y473 PolarHBondContact O-N 2.88Å |
| 470 | N | 83.1 | Confident | 86.4 | Confident | 78 Ų | 78 | 90.1 Ų | 90.1 | 42% | 0.417 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.9 | -34.4 | 176.5 | -80.4 | -49.9 | 0 | 0 | 0 | 112.3 | E466 K474 | E466-N470 VanDerWaalsContact O-CB 3.25Å; E466-N470 WeakPolarHBondContact O-CB 3.05Å; E466-N470 VanDerWaalsContact O-CG 3.32Å; E466-N470 PolarHBondContact O-N 3.24Å; E466-N470 PolarHBondContact O-ND2 2.88Å; N470-K474 WeakPolarHBondContact O-CB 3.47Å; N470-K474 WeakPolarHBondContact O-CD 3.45Å; N470-K474 WeakPolarHBondContact O-CG 3.01Å; N470-K474 PolarHBondContact O-N 3.5Å |
| 471 | W | 80.4 | Confident | 86.1 | Confident | 184 Ų | 184 | 96 Ų | 96 | 70% | 0.697 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -66.8 | -45.9 | 173 | 179.1 | 92.4 | 0 | 0 | 0 | 111.4 | N467 E468 S469 Y473 K474 A475 | N467-W471 VanDerWaalsContact O-CB 3.28Å; N467-W471 WeakPolarHBondContact O-CB 3.38Å; N467-W471 PolarHBondContact O-N 3.23Å; E468-W471 PolarHBondContact O-N 2.86Å; S469-W471 VanDerWaalsContact C-N 3.3Å; S469-W471 PolarHBondContact O-N 2.79Å; W471-Y473 VanDerWaalsContact C-N 3.33Å; W471-Y473 PolarHBondContact O-N 3.35Å; W471-K474 PolarHBondContact O-N 3.43Å; W471-A475 HydrophobicContact CH2-CB 4.46Å; W471-A475 HydrophobicContact CZ3-CB 4.48Å; W471-A475 WeakPolarHBondContact O-CB 3.47Å; W471-A475 PolarHBondContact O-N 3.15Å |
| 472 | A | 78.9 | Confident | 85.8 | Confident | 42 Ų | 42 | 100.2 Ų | 100.2 | 35% | 0.347 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | E468 S469 A475 L476 | E468-A472 PolarHBondContact O-N 2.85Å; S469-A472 PolarHBondContact O-N 3.48Å; A472-A475 PolarHBondContact O-N 2.77Å; A472-L476 WeakPolarHBondContact O-CG 3.43Å; A472-L476 PolarHBondContact O-N 3.27Å |
| 473 | Y | 77.3 | Confident | 85.5 | Confident | 146 Ų | 146 | 102 Ų | 102 | 57% | 0.573 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.1 | -45.4 | 173.7 | 179.7 | -105.9 | 0 | 0 | 0 | 112.6 | S469 W471 A475 L476 L477 | S469-Y473 PolarHBondContact O-N 2.88Å; W471-Y473 VanDerWaalsContact C-N 3.33Å; W471-Y473 PolarHBondContact O-N 3.35Å; Y473-A475 VanDerWaalsContact C-N 3.31Å; Y473-A475 PolarHBondContact O-N 3.22Å; Y473-L476 PolarHBondContact O-N 3.28Å; Y473-L477 HydrophobicContact CD1-CD1 3.9Å; Y473-L477 HydrophobicContact CE1-CD1 3.42Å; Y473-L477 VanDerWaalsContact CE1-CD1 3.42Å; Y473-L477 HydrophobicContact CE1-CG 4.37Å; Y473-L477 HydrophobicContact CE2-CD1 4.5Å; Y473-L477 PolarHBondContact O-N 3.43Å |
| 474 | K | 76.7 | Confident | 85.4 | Confident | 127 Ų | 127 | 102.9 Ų | 102.9 | 55% | 0.552 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.3 | -33.2 | 175.3 | -73.2 | 168.1 | -175.9 | 174.7 | 0 | 112.6 | N470 W471 R478 | N470-K474 WeakPolarHBondContact O-CB 3.47Å; N470-K474 WeakPolarHBondContact O-CD 3.45Å; N470-K474 WeakPolarHBondContact O-CG 3.01Å; N470-K474 PolarHBondContact O-N 3.5Å; W471-K474 PolarHBondContact O-N 3.43Å; K474-R478 WeakPolarHBondContact O-CG 3.21Å; K474-R478 PolarHBondContact O-N 2.98Å |
| 475 | A | 80.6 | Confident | 85.3 | Confident | 30 Ų | 30 | 106.4 Ų | 106.4 | 25% | 0.248 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -68.6 | -46.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | W471 A472 Y473 L477 R478 V479 | W471-A475 HydrophobicContact CH2-CB 4.46Å; W471-A475 HydrophobicContact CZ3-CB 4.48Å; W471-A475 WeakPolarHBondContact O-CB 3.47Å; W471-A475 PolarHBondContact O-N 3.15Å; A472-A475 PolarHBondContact O-N 2.77Å; Y473-A475 VanDerWaalsContact C-N 3.31Å; Y473-A475 PolarHBondContact O-N 3.22Å; A475-L477 VanDerWaalsContact C-N 3.33Å; A475-L477 PolarHBondContact O-N 3.33Å; A475-R478 PolarHBondContact O-N 3Å; A475-R478 VanDerWaalsContact O-N 3.16Å; A475-V479 WeakPolarHBondContact O-CG2 3.31Å; A475-V479 PolarHBondContact O-N 3.22Å |
| 476 | L | 83.9 | Confident | 85.3 | Confident | 125 Ų | 125 | 107.2 Ų | 107.2 | 65% | 0.654 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -57.5 | -43.1 | 174.2 | -78.4 | 163.3 | 0 | 0 | 0 | 112.2 | A472 Y473 R478 V479 K480 | A472-L476 WeakPolarHBondContact O-CG 3.43Å; A472-L476 PolarHBondContact O-N 3.27Å; Y473-L476 PolarHBondContact O-N 3.28Å; L476-R478 PolarHBondContact O-N 2.96Å; L476-V479 PolarHBondContact O-N 3.35Å; L476-K480 WeakPolarHBondContact O-CB 3.5Å; L476-K480 PolarHBondContact O-N 3.43Å |
| 477 | L | 82.1 | Confident | 85.5 | Confident | 84 Ų | 84 | 108.3 Ų | 108.3 | 44% | 0.44 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 175 | -79.2 | 168.1 | 0 | 0 | 0 | 112.7 | Y473 A475 K480 H481 | Y473-L477 HydrophobicContact CD1-CD1 3.9Å; Y473-L477 HydrophobicContact CE1-CD1 3.42Å; Y473-L477 VanDerWaalsContact CE1-CD1 3.42Å; Y473-L477 HydrophobicContact CE1-CG 4.37Å; Y473-L477 HydrophobicContact CE2-CD1 4.5Å; Y473-L477 PolarHBondContact O-N 3.43Å; A475-L477 VanDerWaalsContact C-N 3.33Å; A475-L477 PolarHBondContact O-N 3.33Å; L477-K480 PolarHBondContact O-N 2.96Å; L477-H481 WeakPolarHBondContact O-CB 3.43Å; L477-H481 PolarHBondContact O-N 2.92Å |
| 478 | R | 85.3 | Confident | 85.7 | Confident | 191 Ų | 191 | 109.4 Ų | 109.4 | 72% | 0.721 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.2 | -42.9 | 176.4 | -73.3 | 171.7 | 177.6 | -177.5 | -1.4 | 112.2 | K474 A475 L476 H481 L482 | K474-R478 WeakPolarHBondContact O-CG 3.21Å; K474-R478 PolarHBondContact O-N 2.98Å; A475-R478 PolarHBondContact O-N 3Å; A475-R478 VanDerWaalsContact O-N 3.16Å; L476-R478 PolarHBondContact O-N 2.96Å; R478-H481 PolarHBondContact O-N 3.43Å; R478-L482 WeakPolarHBondContact O-CB 3.49Å; R478-L482 PolarHBondContact O-N 3.42Å |
| 479 | V | 88.1 | Confident | 86.1 | Confident | 77 Ų | 77 | 109.6 Ų | 109.6 | 47% | 0.467 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.7 | -44.5 | 176.3 | 174 | 0 | 0 | 0 | 0 | 110.8 | A475 L476 H481 L482 M483 | A475-V479 WeakPolarHBondContact O-CG2 3.31Å; A475-V479 PolarHBondContact O-N 3.22Å; L476-V479 PolarHBondContact O-N 3.35Å; V479-H481 VanDerWaalsContact C-N 3.34Å; V479-H481 PolarHBondContact O-N 3.35Å; V479-L482 PolarHBondContact O-N 3.18Å; V479-M483 HydrophobicContact CG1-CE 3.89Å; V479-M483 HydrophobicContact CG1-CG 4.46Å; V479-M483 HydrophobicContact CG1-SD 4.09Å; V479-M483 WeakPolarHBondContact O-CG 3.38Å; V479-M483 PolarHBondContact O-N 3.4Å |
| 480 | K | 89.5 | Confident | 86.6 | Confident | 137 Ų | 137 | 112 Ų | 112 | 60% | 0.596 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.2 | -43.7 | 175.1 | -177.1 | 178.2 | 178.2 | -179.4 | 0 | 112 | L476 L477 M483 L484 | L476-K480 WeakPolarHBondContact O-CB 3.5Å; L476-K480 PolarHBondContact O-N 3.43Å; L477-K480 PolarHBondContact O-N 2.96Å; K480-M483 PolarHBondContact O-N 3.47Å; K480-L484 HydrophobicContact CG-CD1 4.23Å; K480-L484 WeakPolarHBondContact O-CG 3.47Å; K480-L484 PolarHBondContact O-N 3.31Å |
| 481 | H | 88.8 | Confident | 87.2 | Confident | 133 Ų | 133 | 110.5 Ų | 110.5 | 62% | 0.616 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.4 | -41 | 178 | -175.2 | 64.4 | 0 | 0 | 0 | 112.2 | L477 R478 V479 L484 L485 | L477-H481 WeakPolarHBondContact O-CB 3.43Å; L477-H481 PolarHBondContact O-N 2.92Å; R478-H481 PolarHBondContact O-N 3.43Å; V479-H481 VanDerWaalsContact C-N 3.34Å; V479-H481 PolarHBondContact O-N 3.35Å; H481-L484 PolarHBondContact O-N 3.48Å; H481-L485 WeakPolarHBondContact O-CB 3.47Å; H481-L485 PolarHBondContact O-N 2.94Å |
| 482 | L | 88.8 | Confident | 87.9 | Confident | 94 Ų | 94 | 108 Ų | 108 | 49% | 0.492 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 175.2 | -173.4 | 66 | 0 | 0 | 0 | 112 | R478 V479 L484 L485 H486 | R478-L482 WeakPolarHBondContact O-CB 3.49Å; R478-L482 PolarHBondContact O-N 3.42Å; V479-L482 PolarHBondContact O-N 3.18Å; L482-L484 PolarHBondContact O-N 2.93Å; L482-L485 PolarHBondContact O-N 3.5Å; L482-H486 PolarHBondContact O-CD2 2.91Å; L482-H486 PolarHBondContact O-N 3.37Å |
| 483 | M | 89.7 | Confident | 88.7 | Confident | 133 Ų | 133 | 111 Ų | 111 | 66% | 0.655 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.7 | -42.1 | 175.2 | -74.7 | 177 | 168.3 | 0 | 0 | 112.3 | V479 K480 H486 Y487 | V479-M483 HydrophobicContact CG1-CE 3.89Å; V479-M483 HydrophobicContact CG1-CG 4.46Å; V479-M483 HydrophobicContact CG1-SD 4.09Å; V479-M483 WeakPolarHBondContact O-CG 3.38Å; V479-M483 PolarHBondContact O-N 3.4Å; K480-M483 PolarHBondContact O-N 3.47Å; M483-H486 PolarHBondContact O-N 3.02Å; M483-Y487 WeakPolarHBondContact O-CB 3.34Å; M483-Y487 PolarHBondContact O-N 3.41Å |
| 484 | L | 90.3 | Very high | 89.6 | Confident | 88 Ų | 88 | 108.4 Ų | 108.4 | 46% | 0.461 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.5 | -45.6 | 174.3 | -71.6 | 167.7 | 0 | 0 | 0 | 111.4 | K480 H481 L482 H486 Y487 E488 | K480-L484 HydrophobicContact CG-CD1 4.23Å; K480-L484 WeakPolarHBondContact O-CG 3.47Å; K480-L484 PolarHBondContact O-N 3.31Å; H481-L484 PolarHBondContact O-N 3.48Å; L482-L484 PolarHBondContact O-N 2.93Å; L484-H486 VanDerWaalsContact C-N 3.34Å; L484-H486 PolarHBondContact O-N 3.42Å; L484-Y487 WeakPolarHBondContact O-CB 3.43Å; L484-Y487 PolarHBondContact O-N 3.09Å; L484-Y487 VanDerWaalsContact O-N 3.1Å; L484-E488 WeakPolarHBondContact O-CG 3.36Å; L484-E488 PolarHBondContact O-N 2.94Å |
| 485 | L | 91.1 | Very high | 90.5 | Very high | 87 Ų | 87 | 107.5 Ų | 107.5 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.6 | -43.1 | 177.1 | -176.4 | 66.2 | 0 | 0 | 0 | 112.3 | H481 L482 Y487 E488 I489 | H481-L485 WeakPolarHBondContact O-CB 3.47Å; H481-L485 PolarHBondContact O-N 2.94Å; L482-L485 PolarHBondContact O-N 3.5Å; L485-Y487 VanDerWaalsContact C-N 3.32Å; L485-Y487 PolarHBondContact O-N 3.5Å; L485-E488 PolarHBondContact O-N 3.48Å; L485-I489 HydrophobicContact CD1-CD1 4.36Å; L485-I489 HydrophobicContact CG-CD1 4.06Å; L485-I489 WeakPolarHBondContact O-CD1 3.46Å; L485-I489 VanDerWaalsContact O-CG1 3.25Å; L485-I489 WeakPolarHBondContact O-CG1 3.44Å; L485-I489 PolarHBondContact O-N 2.99Å; L485-I489 VanDerWaalsContact O-N 3.09Å |
| 486 | H | 89.9 | Confident | 91.2 | Very high | 121 Ų | 121 | 108.7 Ų | 108.7 | 56% | 0.56 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.4 | -34.1 | 175 | -83 | -118.6 | 0 | 0 | 0 | 112.6 | L482 M483 L484 F490 | L482-H486 PolarHBondContact O-CD2 2.91Å; L482-H486 PolarHBondContact O-N 3.37Å; M483-H486 PolarHBondContact O-N 3.02Å; L484-H486 VanDerWaalsContact C-N 3.34Å; L484-H486 PolarHBondContact O-N 3.42Å; H486-F490 WeakPolarHBondContact O-CB 3.25Å; H486-F490 PolarHBondContact O-N 2.99Å |
| 487 | Y | 93.6 | Very high | 91.8 | Very high | 140 Ų | 140 | 106.2 Ų | 106.2 | 55% | 0.549 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.8 | -47.4 | 175.4 | 178.3 | -95.6 | 0 | 0 | 0 | 112 | M483 L484 L485 I489 F490 V491 | M483-Y487 WeakPolarHBondContact O-CB 3.34Å; M483-Y487 PolarHBondContact O-N 3.41Å; L484-Y487 WeakPolarHBondContact O-CB 3.43Å; L484-Y487 PolarHBondContact O-N 3.09Å; L484-Y487 VanDerWaalsContact O-N 3.1Å; L485-Y487 VanDerWaalsContact C-N 3.32Å; L485-Y487 PolarHBondContact O-N 3.5Å; Y487-I489 VanDerWaalsContact C-N 3.33Å; Y487-I489 PolarHBondContact O-N 3.41Å; Y487-F490 PolarHBondContact O-N 3Å; Y487-F490 VanDerWaalsContact O-N 3.14Å; Y487-V491 HydrophobicContact CD1-CG2 4.24Å; Y487-V491 HydrophobicContact CE1-CG2 3.8Å; Y487-V491 HydrophobicContact CE2-CG2 4.14Å; Y487-V491 WeakPolarHBondContact O-CG2 3.5Å; Y487-V491 PolarHBondContact O-N 3.47Å |
| 488 | E | 93 | Very high | 92.4 | Very high | 117 Ų | 117 | 106.2 Ų | 106.2 | 55% | 0.547 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.2 | -44.7 | 175.4 | -66 | -58.3 | 143.1 | 0 | 0 | 111.5 | L484 L485 F490 V491 F492 | L484-E488 WeakPolarHBondContact O-CG 3.36Å; L484-E488 PolarHBondContact O-N 2.94Å; L485-E488 PolarHBondContact O-N 3.48Å; E488-F490 VanDerWaalsContact C-N 3.34Å; E488-F490 PolarHBondContact O-N 3.14Å; E488-V491 PolarHBondContact O-N 3.1Å; E488-F492 WeakPolarHBondContact O-CB 3.44Å; E488-F492 PolarHBondContact O-N 3.24Å |
| 489 | I | 93.3 | Very high | 92.9 | Very high | 87 Ų | 87 | 101.9 Ų | 101.9 | 45% | 0.446 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 175.8 | -68.3 | 165.6 | 0 | 0 | 0 | 111.2 | L485 Y487 F492 L493 | L485-I489 HydrophobicContact CD1-CD1 4.36Å; L485-I489 HydrophobicContact CG-CD1 4.06Å; L485-I489 WeakPolarHBondContact O-CD1 3.46Å; L485-I489 VanDerWaalsContact O-CG1 3.25Å; L485-I489 WeakPolarHBondContact O-CG1 3.44Å; L485-I489 PolarHBondContact O-N 2.99Å; L485-I489 VanDerWaalsContact O-N 3.09Å; Y487-I489 VanDerWaalsContact C-N 3.33Å; Y487-I489 PolarHBondContact O-N 3.41Å; I489-F492 PolarHBondContact O-N 2.99Å; I489-L493 HydrophobicContact CG2-CD1 3.99Å; I489-L493 HydrophobicContact CG2-CG 4.49Å; I489-L493 WeakPolarHBondContact O-CB 3.34Å; I489-L493 VanDerWaalsContact O-CG 3.29Å; I489-L493 WeakPolarHBondContact O-CG 3.43Å; I489-L493 PolarHBondContact O-N 3.39Å |
| 490 | F | 94.8 | Very high | 93.3 | Very high | 132 Ų | 132 | 105.1 Ų | 105.1 | 58% | 0.579 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.3 | -44.8 | 178.1 | 178.3 | -96.5 | 0 | 0 | 0 | 112.3 | H486 Y487 E488 L493 L494 | H486-F490 WeakPolarHBondContact O-CB 3.25Å; H486-F490 PolarHBondContact O-N 2.99Å; Y487-F490 PolarHBondContact O-N 3Å; Y487-F490 VanDerWaalsContact O-N 3.14Å; E488-F490 VanDerWaalsContact C-N 3.34Å; E488-F490 PolarHBondContact O-N 3.14Å; F490-L493 PolarHBondContact O-N 2.91Å; F490-L494 WeakPolarHBondContact O-CB 3.29Å; F490-L494 PolarHBondContact O-N 3.45Å |
| 491 | V | 95.6 | Very high | 93.6 | Very high | 45 Ų | 45 | 104.5 Ų | 104.5 | 27% | 0.273 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 176.2 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | Y487 E488 L494 L495 | Y487-V491 HydrophobicContact CD1-CG2 4.24Å; Y487-V491 HydrophobicContact CE1-CG2 3.8Å; Y487-V491 HydrophobicContact CE2-CG2 4.14Å; Y487-V491 WeakPolarHBondContact O-CG2 3.5Å; Y487-V491 PolarHBondContact O-N 3.47Å; E488-V491 PolarHBondContact O-N 3.1Å; V491-L494 PolarHBondContact O-N 3.26Å; V491-L495 HydrophobicContact CG1-CD1 4.06Å; V491-L495 HydrophobicContact CG1-CG 4.5Å; V491-L495 WeakPolarHBondContact O-CG 3.47Å; V491-L495 PolarHBondContact O-N 2.99Å |
| 492 | F | 95.2 | Very high | 93.8 | Very high | 133 Ų | 133 | 102.9 Ų | 102.9 | 58% | 0.583 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.4 | -49.1 | 175.6 | 179.8 | -98 | 0 | 0 | 0 | 112.1 | E488 I489 L494 L495 C496 | E488-F492 WeakPolarHBondContact O-CB 3.44Å; E488-F492 PolarHBondContact O-N 3.24Å; I489-F492 PolarHBondContact O-N 2.99Å; F492-L494 VanDerWaalsContact C-N 3.32Å; F492-L494 PolarHBondContact O-N 3.4Å; F492-L495 PolarHBondContact O-N 2.92Å; F492-C496 PolarHBondContact O-N 3.47Å; F492-C496 PolarHBondContact O-SG 2.93Å; F492-C496 VanDerWaalsContact O-SG 3.36Å |
| 493 | L | 95.4 | Very high | 94.1 | Very high | 105 Ų | 105 | 102.5 Ų | 102.5 | 55% | 0.55 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.9 | -37.8 | 177.5 | -71.3 | 171 | 0 | 0 | 0 | 112.6 | I489 F490 C496 S497 | I489-L493 HydrophobicContact CG2-CD1 3.99Å; I489-L493 HydrophobicContact CG2-CG 4.49Å; I489-L493 WeakPolarHBondContact O-CB 3.34Å; I489-L493 VanDerWaalsContact O-CG 3.29Å; I489-L493 WeakPolarHBondContact O-CG 3.43Å; I489-L493 PolarHBondContact O-N 3.39Å; F490-L493 PolarHBondContact O-N 2.91Å; L493-C496 PolarHBondContact O-N 3.36Å; L493-S497 WeakPolarHBondContact O-CB 3.35Å; L493-S497 PolarHBondContact O-N 3.38Å |
| 494 | L | 95.9 | Very high | 94.2 | Very high | 90 Ų | 90 | 101.5 Ų | 101.5 | 47% | 0.471 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.6 | -45.3 | 175.2 | -177.2 | 64 | 0 | 0 | 0 | 111.6 | F490 V491 F492 S497 I498 | F490-L494 WeakPolarHBondContact O-CB 3.29Å; F490-L494 PolarHBondContact O-N 3.45Å; V491-L494 PolarHBondContact O-N 3.26Å; F492-L494 VanDerWaalsContact C-N 3.32Å; F492-L494 PolarHBondContact O-N 3.4Å; L494-S497 WeakPolarHBondContact O-CB 3.35Å; L494-S497 PolarHBondContact O-N 3.32Å; L494-I498 HydrophobicContact CD1-CD1 4.38Å; L494-I498 HydrophobicContact CG-CD1 4.09Å; L494-I498 WeakPolarHBondContact O-CG1 3.37Å; L494-I498 PolarHBondContact O-N 2.9Å |
| 495 | L | 95.9 | Very high | 94.3 | Very high | 108 Ų | 108 | 101.4 Ų | 101.4 | 57% | 0.565 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64 | -41.1 | 176.6 | -70.2 | 171.1 | 0 | 0 | 0 | 112.1 | V491 F492 S497 I498 L499 | V491-L495 HydrophobicContact CG1-CD1 4.06Å; V491-L495 HydrophobicContact CG1-CG 4.5Å; V491-L495 WeakPolarHBondContact O-CG 3.47Å; V491-L495 PolarHBondContact O-N 2.99Å; F492-L495 PolarHBondContact O-N 2.92Å; L495-S497 VanDerWaalsContact C-N 3.33Å; L495-S497 PolarHBondContact O-N 2.98Å; L495-I498 PolarHBondContact O-N 3.47Å; L495-L499 WeakPolarHBondContact O-CB 3.39Å; L495-L499 PolarHBondContact O-N 2.94Å |
| 496 | C | 96.1 | Very high | 94.4 | Very high | 56 Ų | 56 | 103.4 Ų | 103.4 | 38% | 0.378 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.2 | -40.3 | 173.3 | -69.7 | 0 | 0 | 0 | 0 | 112.4 | F492 L493 L499 F500 | F492-C496 PolarHBondContact O-N 3.47Å; F492-C496 PolarHBondContact O-SG 2.93Å; F492-C496 VanDerWaalsContact O-SG 3.36Å; L493-C496 PolarHBondContact O-N 3.36Å; C496-L499 PolarHBondContact O-N 2.94Å; C496-F500 WeakPolarHBondContact O-CB 3.46Å; C496-F500 PolarHBondContact O-N 3.47Å |
| 497 | S | 94.8 | Very high | 94.5 | Very high | 73 Ų | 73 | 102.1 Ų | 102.1 | 51% | 0.51 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.7 | -44.2 | 176.7 | -171.4 | 0 | 0 | 0 | 0 | 112.1 | L493 L494 L495 F500 F501 | L493-S497 WeakPolarHBondContact O-CB 3.35Å; L493-S497 PolarHBondContact O-N 3.38Å; L494-S497 WeakPolarHBondContact O-CB 3.35Å; L494-S497 PolarHBondContact O-N 3.32Å; L495-S497 VanDerWaalsContact C-N 3.33Å; L495-S497 PolarHBondContact O-N 2.98Å; S497-F500 PolarHBondContact O-N 3.26Å; S497-F501 PolarHBondContact O-N 3.33Å |
| 498 | I | 95.9 | Very high | 94.3 | Very high | 83 Ų | 83 | 103 Ų | 103 | 43% | 0.426 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.4 | -46 | 175.7 | -68.1 | 164.4 | 0 | 0 | 0 | 110.8 | L494 L495 F500 F501 I502 | L494-I498 HydrophobicContact CD1-CD1 4.38Å; L494-I498 HydrophobicContact CG-CD1 4.09Å; L494-I498 WeakPolarHBondContact O-CG1 3.37Å; L494-I498 PolarHBondContact O-N 2.9Å; L495-I498 PolarHBondContact O-N 3.47Å; I498-F500 PolarHBondContact O-N 3Å; I498-F501 PolarHBondContact O-N 2.96Å; I498-I502 HydrophobicContact CG2-CD1 3.82Å; I498-I502 WeakPolarHBondContact O-CG1 3.32Å; I498-I502 PolarHBondContact O-N 3.34Å |
| 499 | L | 95.8 | Very high | 94 | Very high | 101 Ų | 101 | 104.6 Ų | 104.6 | 53% | 0.529 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 177.6 | 179.8 | 61.4 | 0 | 0 | 0 | 112 | L495 C496 F501 I502 I503 | L495-L499 WeakPolarHBondContact O-CB 3.39Å; L495-L499 PolarHBondContact O-N 2.94Å; C496-L499 PolarHBondContact O-N 2.94Å; L499-F501 VanDerWaalsContact C-N 3.34Å; L499-F501 PolarHBondContact O-N 2.98Å; L499-I502 PolarHBondContact O-N 3.48Å; L499-I503 HydrophobicContact CD1-CD1 4.09Å; L499-I503 HydrophobicContact CD1-CG1 4.42Å; L499-I503 HydrophobicContact CG-CD1 3.97Å; L499-I503 VanDerWaalsContact O-CG1 3.32Å; L499-I503 WeakPolarHBondContact O-CG1 3.46Å; L499-I503 PolarHBondContact O-N 3.42Å |
| 500 | F | 95.8 | Very high | 93.3 | Very high | 145 Ų | 145 | 108.6 Ų | 108.6 | 64% | 0.636 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.8 | -43.8 | 175.1 | 176.8 | -96 | 0 | 0 | 0 | 111.9 | C496 S497 I498 I503 F504 | C496-F500 WeakPolarHBondContact O-CB 3.46Å; C496-F500 PolarHBondContact O-N 3.47Å; S497-F500 PolarHBondContact O-N 3.26Å; I498-F500 PolarHBondContact O-N 3Å; F500-I503 PolarHBondContact O-N 3.48Å; F500-F504 WeakPolarHBondContact O-CB 3.39Å; F500-F504 PolarHBondContact O-N 3.39Å |
| 501 | F | 95.3 | Very high | 92.3 | Very high | 124 Ų | 124 | 111.4 Ų | 111.4 | 54% | 0.544 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 177.6 | -170.7 | -108 | 0 | 0 | 0 | 112.6 | S497 I498 L499 F504 L505 | S497-F501 PolarHBondContact O-N 3.33Å; I498-F501 PolarHBondContact O-N 2.96Å; L499-F501 VanDerWaalsContact C-N 3.34Å; L499-F501 PolarHBondContact O-N 2.98Å; F501-F504 PolarHBondContact O-N 3.5Å; F501-L505 HydrophobicContact CD1-CD1 3.93Å; F501-L505 HydrophobicContact CD1-CG 4.4Å; F501-L505 HydrophobicContact CE1-CD1 3.53Å; F501-L505 HydrophobicContact CE1-CG 4.13Å; F501-L505 HydrophobicContact CZ-CD1 4.06Å; F501-L505 HydrophobicContact CZ-CD2 4.37Å; F501-L505 HydrophobicContact CZ-CG 4.27Å; F501-L505 WeakPolarHBondContact O-CG 3.32Å; F501-L505 PolarHBondContact O-N 2.98Å |
| 502 | I | 94.6 | Very high | 92.2 | Very high | 99 Ų | 99 | 114.7 Ų | 114.7 | 51% | 0.508 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.2 | -45.2 | 174.2 | -69.2 | 165.8 | 0 | 0 | 0 | 110.9 | I498 L499 L505 F506 | I498-I502 HydrophobicContact CG2-CD1 3.82Å; I498-I502 WeakPolarHBondContact O-CG1 3.32Å; I498-I502 PolarHBondContact O-N 3.34Å; L499-I502 PolarHBondContact O-N 3.48Å; I502-L505 PolarHBondContact O-N 2.96Å; I502-F506 WeakPolarHBondContact O-CB 3.32Å; I502-F506 PolarHBondContact O-N 2.96Å |
| 503 | I | 93.7 | Very high | 92 | Very high | 85 Ų | 85 | 113.7 Ų | 113.7 | 44% | 0.436 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.4 | -43 | 177.1 | -68.5 | 165.7 | 0 | 0 | 0 | 110.8 | L499 F500 F506 I507 | L499-I503 HydrophobicContact CD1-CD1 4.09Å; L499-I503 HydrophobicContact CD1-CG1 4.42Å; L499-I503 HydrophobicContact CG-CD1 3.97Å; L499-I503 VanDerWaalsContact O-CG1 3.32Å; L499-I503 WeakPolarHBondContact O-CG1 3.46Å; L499-I503 PolarHBondContact O-N 3.42Å; F500-I503 PolarHBondContact O-N 3.48Å; I503-F506 PolarHBondContact O-N 3Å; I503-I507 HydrophobicContact CG2-CD1 3.8Å; I503-I507 HydrophobicContact CG2-CG1 4.47Å; I503-I507 WeakPolarHBondContact O-CG1 3.41Å; I503-I507 PolarHBondContact O-N 3.42Å |
| 504 | F | 93.4 | Very high | 91.8 | Very high | 112 Ų | 112 | 114.2 Ų | 114.2 | 49% | 0.491 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.2 | -46.4 | 176.8 | 179.1 | -94.6 | 0 | 0 | 0 | 112.2 | F500 F501 F506 I507 F508 | F500-F504 WeakPolarHBondContact O-CB 3.39Å; F500-F504 PolarHBondContact O-N 3.39Å; F501-F504 PolarHBondContact O-N 3.5Å; F504-F506 PolarHBondContact O-N 3.37Å; F504-I507 PolarHBondContact O-N 2.96Å; F504-F508 WeakPolarHBondContact O-CB 3.46Å; F504-F508 PolarHBondContact O-N 3.27Å |
| 505 | L | 92.4 | Very high | 91.6 | Very high | 87 Ų | 87 | 115.6 Ų | 115.6 | 46% | 0.455 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.2 | -39.3 | 175.2 | -72.4 | 179.4 | 0 | 0 | 0 | 112.5 | F501 I502 F508 H509 | F501-L505 HydrophobicContact CD1-CD1 3.93Å; F501-L505 HydrophobicContact CD1-CG 4.4Å; F501-L505 HydrophobicContact CE1-CD1 3.53Å; F501-L505 HydrophobicContact CE1-CG 4.13Å; F501-L505 HydrophobicContact CZ-CD1 4.06Å; F501-L505 HydrophobicContact CZ-CD2 4.37Å; F501-L505 HydrophobicContact CZ-CG 4.27Å; F501-L505 WeakPolarHBondContact O-CG 3.32Å; F501-L505 PolarHBondContact O-N 2.98Å; I502-L505 PolarHBondContact O-N 2.96Å; L505-F508 PolarHBondContact O-N 3.47Å; L505-H509 WeakPolarHBondContact O-CB 3.41Å; L505-H509 PolarHBondContact O-N 3.05Å |
| 506 | F | 93.3 | Very high | 91.3 | Very high | 129 Ų | 129 | 116.1 Ų | 116.1 | 57% | 0.566 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.5 | -44.4 | 177.6 | -169.5 | -87 | 0 | 0 | 0 | 111.5 | I502 I503 F504 F508 H509 Y510 | I502-F506 WeakPolarHBondContact O-CB 3.32Å; I502-F506 PolarHBondContact O-N 2.96Å; I503-F506 PolarHBondContact O-N 3Å; F504-F506 PolarHBondContact O-N 3.37Å; F506-F508 VanDerWaalsContact C-N 3.34Å; F506-F508 PolarHBondContact O-N 3.31Å; F506-H509 PolarHBondContact O-N 3.37Å; F506-Y510 HydrophobicContact CD1-CD2 4.11Å; F506-Y510 HydrophobicContact CD2-CD2 4.35Å; F506-Y510 HydrophobicContact CD2-CE2 4.13Å; F506-Y510 AromaticContact CE1-CD2 3.76Å; F506-Y510 HydrophobicContact CE1-CD2 3.76Å; F506-Y510 AromaticContact CE1-CE2 3.95Å; F506-Y510 HydrophobicContact CE1-CE2 3.95Å; F506-Y510 HydrophobicContact CE1-CG 4.36Å; F506-Y510 HydrophobicContact CE2-CD2 4.03Å; F506-Y510 AromaticContact CE2-CE2 3.5Å; F506-Y510 HydrophobicContact CE2-CE2 3.5Å; F506-Y510 VanDerWaalsContact CE2-CE2 3.5Å; F506-Y510 HydrophobicContact CG-CD2 4.39Å; F506-Y510 AromaticContact CZ-CD2 3.72Å; F506-Y510 HydrophobicContact CZ-CD2 3.72Å; F506-Y510 AromaticContact CZ-CE2 3.39Å; F506-Y510 HydrophobicContact CZ-CE2 3.39Å; F506-Y510 AromaticContact CZ-CZ 3.97Å; F506-Y510 WeakPolarHBondContact O-CD2 3.49Å; F506-Y510 PolarHBondContact O-N 3.36Å |
| 507 | I | 91.3 | Very high | 91 | Very high | 94 Ų | 94 | 120.1 Ų | 120.1 | 48% | 0.482 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.2 | -44.6 | 174.8 | -68.4 | 166.5 | 0 | 0 | 0 | 110.6 | I503 F504 H509 Y510 I511 | I503-I507 HydrophobicContact CG2-CD1 3.8Å; I503-I507 HydrophobicContact CG2-CG1 4.47Å; I503-I507 WeakPolarHBondContact O-CG1 3.41Å; I503-I507 PolarHBondContact O-N 3.42Å; F504-I507 PolarHBondContact O-N 2.96Å; I507-H509 PolarHBondContact O-N 3.33Å; I507-Y510 PolarHBondContact O-N 3.22Å; I507-I511 HydrophobicContact CG2-CD1 3.74Å; I507-I511 WeakPolarHBondContact O-CG1 3.42Å |
| 508 | F | 88.6 | Confident | 90.7 | Very high | 157 Ų | 157 | 123.5 Ų | 123.5 | 69% | 0.689 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -70.3 | -15.6 | 179.7 | -165.2 | -92.1 | 0 | 0 | 0 | 114.1 | F504 L505 F506 | F504-F508 WeakPolarHBondContact O-CB 3.46Å; F504-F508 PolarHBondContact O-N 3.27Å; L505-F508 PolarHBondContact O-N 3.47Å; F506-F508 VanDerWaalsContact C-N 3.34Å; F506-F508 PolarHBondContact O-N 3.31Å |
| 509 | H | 87.4 | Confident | 90.3 | Very high | 152 Ų | 152 | 126.6 Ų | 126.6 | 70% | 0.704 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -94.4 | -13.1 | 177.8 | -167.5 | 61.6 | 0 | 0 | 0 | 113.8 | L505 F506 I507 | L505-H509 WeakPolarHBondContact O-CB 3.41Å; L505-H509 PolarHBondContact O-N 3.05Å; F506-H509 PolarHBondContact O-N 3.37Å; I507-H509 PolarHBondContact O-N 3.33Å |
| 510 | Y | 79.3 | Confident | 89.9 | Confident | 171 Ų | 171 | 128.8 Ų | 128.8 | 67% | 0.671 | 60% | 0.596 | S | S | * | * | trans | -113.1 | 14.8 | -178.4 | -84.5 | -90.9 | 0 | 0 | 0 | 113.4 | F506 I507 | F506-Y510 HydrophobicContact CD1-CD2 4.11Å; F506-Y510 HydrophobicContact CD2-CD2 4.35Å; F506-Y510 HydrophobicContact CD2-CE2 4.13Å; F506-Y510 AromaticContact CE1-CD2 3.76Å; F506-Y510 HydrophobicContact CE1-CD2 3.76Å; F506-Y510 AromaticContact CE1-CE2 3.95Å; F506-Y510 HydrophobicContact CE1-CE2 3.95Å; F506-Y510 HydrophobicContact CE1-CG 4.36Å; F506-Y510 HydrophobicContact CE2-CD2 4.03Å; F506-Y510 AromaticContact CE2-CE2 3.5Å; F506-Y510 HydrophobicContact CE2-CE2 3.5Å; F506-Y510 VanDerWaalsContact CE2-CE2 3.5Å; F506-Y510 HydrophobicContact CG-CD2 4.39Å; F506-Y510 AromaticContact CZ-CD2 3.72Å; F506-Y510 HydrophobicContact CZ-CD2 3.72Å; F506-Y510 AromaticContact CZ-CE2 3.39Å; F506-Y510 HydrophobicContact CZ-CE2 3.39Å; F506-Y510 AromaticContact CZ-CZ 3.97Å; F506-Y510 WeakPolarHBondContact O-CD2 3.49Å; F506-Y510 PolarHBondContact O-N 3.36Å; I507-Y510 PolarHBondContact O-N 3.22Å | ||
| 511 | I | 73.6 | Confident | 89.3 | Confident | 190 Ų | 190 | 127.3 Ų | 127.3 | 97% | 0.974 | 59% | 0.593 | S | S | * | * | trans | -121.4 | 0 | 173.8 | -65.1 | 174.7 | 0 | 0 | 0 | 108.5 | I507 | I507-I511 HydrophobicContact CG2-CD1 3.74Å; I507-I511 WeakPolarHBondContact O-CG1 3.42Å |
Retrieved 511 of 511 residues in 191.9 ms
(Link to these results)