| 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 | 39.5 | Very low | 38.3 | Very low | 248 Ų | 248 | 150.1 Ų | 150.1 | 100% | 1.222 | 82% | 0.819 | S | S | * | * | 0 | 117.5 | 0 | -98.5 | 167.8 | 170.1 | 0 | 0 | 108 | |||||
| 2 | V | 32.6 | Very low | 38.3 | Very low | 134 Ų | 134 | 147.6 Ų | 147.6 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | trans | -66.5 | 131.9 | 167.9 | 174.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 3 | C | 34.1 | Very low | 38.4 | Very low | 114 Ų | 114 | 145 Ų | 145 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | trans | -154.8 | 80.4 | 148.3 | -90.3 | 0 | 0 | 0 | 0 | 107 | F5 | C3-F5 PolarHBondContact O-N 3.33Š| ||
| 4 | A | 37.8 | Very low | 38.5 | Very low | 93 Ų | 93 | 143.4 Ų | 143.4 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -78.9 | 111.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 5 | F | 37.2 | Very low | 38.6 | Very low | 187 Ų | 187 | 145.9 Ų | 145.9 | 82% | 0.82 | 81% | 0.81 | S | S | * | * | trans | -88.2 | 122.3 | 167.8 | -81.6 | -87.6 | 0 | 0 | 0 | 108.8 | C3 S7 | C3-F5 PolarHBondContact O-N 3.33Å; F5-S7 PolarHBondContact O-N 2.67Å; F5-S7 VanDerWaalsContact O-N 3.15Å | ||
| 6 | P | 45.2 | Very low | 38.9 | Very low | 110 Ų | 110 | 148.2 Ų | 148.2 | 71% | 0.714 | 81% | 0.812 | S | S | * | * | trans | -78.4 | 101.7 | 177.3 | 30.6 | -30.4 | 0 | 0 | 0 | 109.1 | Y8 | P6-Y8 PolarHBondContact O-N 3Š| ||
| 7 | S | 42.3 | Very low | 39.3 | Very low | 88 Ų | 88 | 145.9 Ų | 145.9 | 62% | 0.615 | 80% | 0.803 | S | S | * | * | trans | -67.7 | 107.6 | 168.8 | 50.3 | 0 | 0 | 0 | 0 | 109.2 | F5 F9 | F5-S7 PolarHBondContact O-N 2.67Å; F5-S7 VanDerWaalsContact O-N 3.15Å; S7-F9 WeakPolarHBondContact O-CD2 3.47Å; S7-F9 PolarHBondContact O-N 2.81Å | ||
| 8 | Y | 40.1 | Very low | 39.8 | Very low | 221 Ų | 221 | 142.7 Ų | 142.7 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | trans | -57.6 | 105.9 | 167.6 | -86 | -100 | 0 | 0 | 0 | 109.4 | P6 C10 | P6-Y8 PolarHBondContact O-N 3Å; Y8-C10 PolarHBondContact O-N 3.29Å; Y8-C10 VanDerWaalsContact O-N 3.09Å | ||
| 9 | F | 37.7 | Very low | 39.6 | Very low | 179 Ų | 179 | 140.1 Ų | 140.1 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | -71.8 | 94.7 | 167.9 | -81.5 | -92.1 | 0 | 0 | 0 | 108.6 | S7 L11 | S7-F9 WeakPolarHBondContact O-CD2 3.47Å; S7-F9 PolarHBondContact O-N 2.81Å; F9-L11 VanDerWaalsContact C-N 3.33Å; F9-L11 PolarHBondContact O-N 3.37Å | ||
| 10 | C | 35 | Very low | 39.8 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | -68 | 93.8 | 160.8 | -95.2 | 0 | 0 | 0 | 0 | 108.5 | Y8 V12 | Y8-C10 PolarHBondContact O-N 3.29Å; Y8-C10 VanDerWaalsContact O-N 3.09Å; C10-V12 VanDerWaalsContact C-N 3.28Å; C10-V12 PolarHBondContact O-N 2.52Å | ||
| 11 | L | 39.4 | Very low | 40.5 | Very low | 158 Ų | 158 | 133.5 Ų | 133.5 | 83% | 0.827 | 74% | 0.735 | S | S | * | * | trans | -72 | 87 | 163.6 | -73.9 | 164.2 | 0 | 0 | 0 | 107.9 | F9 P13 | F9-L11 VanDerWaalsContact C-N 3.33Å; F9-L11 PolarHBondContact O-N 3.37Å; L11-P13 WeakPolarHBondContact O-CD 3.46Å | ||
| 12 | V | 38.5 | Very low | 41.4 | Very low | 120 Ų | 120 | 122.5 Ų | 122.5 | 73% | 0.727 | 68% | 0.682 | S | S | * | * | trans | -70.5 | 117.9 | 164 | -177.5 | 0 | 0 | 0 | 0 | 106.3 | C10 C14 | C10-V12 VanDerWaalsContact C-N 3.28Å; C10-V12 PolarHBondContact O-N 2.52Å; V12-C14 PolarHBondContact O-N 2.84Å | ||
| 13 | P | 39.7 | Very low | 42.9 | Very low | 114 Ų | 114 | 116.5 Ų | 116.5 | 74% | 0.74 | 65% | 0.646 | S | S | * | * | trans | -61 | 128.3 | 178.7 | -17.4 | 29.9 | 0 | 0 | 0 | 109.1 | L11 E15 | L11-P13 WeakPolarHBondContact O-CD 3.46Å; P13-E15 PolarHBondContact O-N 3.33Å | ||
| 14 | C | 39.9 | Very low | 44.2 | Very low | 122 Ų | 122 | 111.1 Ų | 111.1 | 82% | 0.824 | 61% | 0.61 | S | S | * | * | trans | -62.1 | 104.6 | 169.1 | -76.7 | 0 | 0 | 0 | 0 | 108 | V12 Q16 | V12-C14 PolarHBondContact O-N 2.84Å; C14-Q16 PolarHBondContact O-N 3.49Å | ||
| 15 | E | 39.3 | Very low | 45.4 | Very low | 182 Ų | 182 | 109.5 Ų | 109.5 | 85% | 0.85 | 58% | 0.584 | S | S | * | * | trans | -55.4 | 108.8 | 165.2 | -104.4 | 177 | 162.2 | 0 | 0 | 107.5 | P13 V17 | P13-E15 PolarHBondContact O-N 3.33Å; E15-V17 PolarHBondContact O-N 2.88Å | ||
| 16 | Q | 43.6 | Very low | 46.3 | Very low | 182 Ų | 182 | 101 Ų | 101 | 85% | 0.85 | 55% | 0.547 | S | S | * | . | trans | -67.3 | 104.5 | 171.9 | -68.9 | -155.8 | -42.5 | 0 | 0 | 107.5 | C14 V18 | C14-Q16 PolarHBondContact O-N 3.49Å; Q16-V18 PolarHBondContact O-N 3.4Å | ||
| 17 | V | 46.3 | Very low | 47 | Very low | 109 Ų | 109 | 96.3 Ų | 96.3 | 66% | 0.661 | 52% | 0.516 | S | S | * | . | trans | -69.7 | 99.2 | 176.6 | -177.6 | 0 | 0 | 0 | 0 | 107.7 | E15 T19 | E15-V17 PolarHBondContact O-N 2.88Å; V17-T19 PolarHBondContact O-N 3.32Å | ||
| 18 | V | 49.1 | Very low | 47.5 | Very low | 89 Ų | 89 | 94.7 Ų | 94.7 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 126.6 | 171.8 | -179.2 | 0 | 0 | 0 | 0 | 107.9 | Q16 N62 | Q16-V18 PolarHBondContact O-N 3.4Å; V18-N62 HydrophobicContact CG1-CB 4.39Å |
| 19 | T | 35.9 | Very low | 48.1 | Very low | 93 Ų | 93 | 88.1 Ų | 88.1 | 57% | 0.571 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 130.3 | 176.3 | 48.1 | 0 | 0 | 0 | 0 | 110 | V17 | V17-T19 PolarHBondContact O-N 3.32Š|
| 20 | P | 42.6 | Very low | 48.4 | Very low | 7 Ų | 7 | 82.1 Ų | 82.1 | 5% | 0.045 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -67 | 140.2 | 179.3 | 25.5 | -32.1 | 0 | 0 | 0 | 111.3 | V60 F61 P64 Y129 A136 | P20-V60 HydrophobicContact CB-CG1 3.9Å; P20-F61 VanDerWaalsContact CA-O 3.27Å; P20-F61 WeakPolarHBondContact CA-O 3.25Å; P20-F61 WeakPolarHBondContact CB-O 3.41Å; P20-P64 HydrophobicContact CG-CG 4.27Å; P20-Y129 HydrophobicContact CG-CD1 3.8Å; P20-Y129 HydrophobicContact CG-CE1 3.54Å; P20-A136 HydrophobicContact CG-CB 4.36Å |
| 21 | E | 55.7 | Low | 49.3 | Very low | 134 Ų | 134 | 81.4 Ų | 81.4 | 63% | 0.626 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 130 | 173.8 | -69.1 | -174.6 | 178.3 | 0 | 0 | 109.5 | V60 F61 | E21-V60 WeakPolarHBondContact O-CA 3.33Å; E21-F61 HydrophobicContact CB-CB 4.44Å; E21-F61 HydrophobicContact CB-CD2 4.38Å; E21-F61 PolarHBondContact N-O 3.24Å; E21-F61 PolarHBondContact O-N 3.42Å |
| 22 | V | 58 | Low | 49.7 | Very low | 17 Ų | 17 | 81.7 Ų | 81.7 | 10% | 0.103 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 130.2 | 179.7 | -168 | 0 | 0 | 0 | 0 | 109.2 | C58 N59 V60 C125 C127 A136 V138 | V22-C58 WeakPolarHBondContact CG1-SG 2.99Å; V22-N59 WeakPolarHBondContact CA-O 3.49Å; V22-V60 HydrophobicContact CG1-CG2 4.13Å; V22-V60 HydrophobicContact CG2-CG1 4.47Å; V22-V60 HydrophobicContact CG2-CG2 4.11Å; V22-C125 HydrophobicContact CG1-CB 4.25Å; V22-C127 HydrophobicContact CG2-CB 3.82Å; V22-A136 HydrophobicContact CG2-CB 3.58Å; V22-V138 HydrophobicContact CB-CG1 3.84Å; V22-V138 HydrophobicContact CG1-CG1 3.43Å; V22-V138 VanDerWaalsContact CG1-CG1 3.43Å |
| 23 | S | 64.2 | Low | 50.2 | Low | 8 Ų | 8 | 80.7 Ų | 80.7 | 6% | 0.056 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 144.4 | 175 | 62.5 | 0 | 0 | 0 | 0 | 111.6 | Y25 C58 N59 F61 | S23-Y25 WeakPolarHBondContact OG-CE2 3.49Å; S23-Y25 PolarHBondContact OG-OH 3.36Å; S23-C58 WeakPolarHBondContact O-CA 3.47Å; S23-N59 PolarHBondContact N-O 2.98Å; S23-N59 PolarHBondContact O-N 3.28Å; S23-F61 WeakPolarHBondContact OG-CE2 3.46Å |
| 24 | I | 60.9 | Low | 50.4 | Low | 1 Ų | 1 | 77.9 Ų | 77.9 | 1% | 0.005 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 126.6 | 173.5 | -67.7 | 166.4 | 0 | 0 | 0 | 109 | I56 Q57 C58 W71 C125 V138 R140 | I24-I56 HydrophobicContact CG2-CG2 3.4Å; I24-Q57 CarbonylContact C-O 3.57Å; I24-Q57 VanDerWaalsContact CA-O 3.27Å; I24-Q57 WeakPolarHBondContact CA-O 3.39Å; I24-C58 HydrophobicContact CG1-CB 4.4Å; I24-W71 HydrophobicContact CD1-CH2 3.64Å; I24-W71 HydrophobicContact CD1-CZ3 3.68Å; I24-W71 HydrophobicContact CG1-CH2 3.74Å; I24-W71 HydrophobicContact CG1-CZ3 4.29Å; I24-W71 HydrophobicContact CG2-CH2 4.27Å; I24-C125 HydrophobicContact CD1-CB 3.97Å; I24-C125 HydrophobicContact CG1-CB 4.13Å; I24-V138 HydrophobicContact CD1-CB 4.41Å; I24-V138 HydrophobicContact CD1-CG1 3.7Å; I24-V138 HydrophobicContact CD1-CG2 4.27Å; I24-V138 WeakPolarHBondContact CD1-O 3.37Å; I24-V138 HydrophobicContact CG1-CG1 3.6Å; I24-V138 HydrophobicContact CG1-CG2 4.42Å; I24-R140 HydrophobicContact CB-CG 4.01Å; I24-R140 HydrophobicContact CD1-CG 4.07Å; I24-R140 HydrophobicContact CG2-CG 3.53Å; I24-R140 PolarHBondContact O-NH2 3.06Å |
| 25 | Y | 62.3 | Low | 50.2 | Low | 60 Ų | 60 | 81.5 Ų | 81.5 | 24% | 0.235 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 133 | 170.8 | -56.2 | -86.2 | 0 | 0 | 0 | 108.9 | S23 Q57 N59 | S23-Y25 WeakPolarHBondContact OG-CE2 3.49Å; S23-Y25 PolarHBondContact OG-OH 3.36Å; Y25-Q57 PolarHBondContact N-O 3.48Å; Y25-Q57 PolarHBondContact O-N 3.17Å; Y25-N59 WeakPolarHBondContact CD2-ND2 3.35Å; Y25-N59 HydrophobicContact CE2-CB 4.13Å; Y25-N59 WeakPolarHBondContact CE2-ND2 3.19Å |
| 26 | D | 57.2 | Low | 50.3 | Low | 8 Ų | 8 | 75 Ų | 75 | 4% | 0.043 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 137.8 | 171.7 | -165.7 | -1.1 | 0 | 0 | 0 | 109 | L39 I46 | D26-L39 HydrophobicContact CB-CB 4.34Å; D26-L39 HydrophobicContact CB-CD1 3.58Å; D26-L39 HydrophobicContact CB-CG 4.18Å; D26-I46 HydrophobicContact CB-CG1 4.47Å; D26-I46 WeakPolarHBondContact OD2-CG2 3.22Å |
| 27 | E | 58.9 | Low | 50.2 | Low | 12 Ų | 12 | 70.1 Ų | 70.1 | 6% | 0.056 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 69.3 | 175.5 | -64 | -158.6 | 162.3 | 0 | 0 | 110.1 | V36 I55 Q57 K103 | E27-V36 HydrophobicContact CB-CG1 3.72Å; E27-V36 HydrophobicContact CG-CG1 3.8Å; E27-I55 HydrophobicContact CB-CB 4.27Å; E27-I55 HydrophobicContact CB-CG2 4.16Å; E27-I55 PolarHBondContact N-O 2.94Å; E27-Q57 PolarHBondContact OE1-OE1 2.92Å; E27-K103 VanDerWaalsContact CD-NZ 3.27Å; E27-K103 WeakPolarHBondContact OE1-CE 3.41Å; E27-K103 IonicContact OE1-NZ 2.7Å; E27-K103 PolarHBondContact OE1-NZ 2.88Å; E27-K103 IonicContact OE2-NZ 2.66Å; E27-K103 PolarHBondContact OE2-NZ 3.11Å; E27-K103 VanDerWaalsContact OE2-NZ 3.16Å |
| 28 | T | 53.9 | Low | 50.1 | Low | 53 Ų | 53 | 71.5 Ų | 71.5 | 33% | 0.325 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 125.5 | 165.7 | 55.3 | 0 | 0 | 0 | 0 | 109.6 | D30 | T28-D30 PolarHBondContact O-N 3.45Å |
| 29 | P | 52 | Low | 50.1 | Low | 83 Ų | 83 | 69.8 Ų | 69.8 | 54% | 0.539 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 129.8 | 170.6 | -5.4 | 17 | 0 | 0 | 0 | 109.8 | A31 | P29-A31 PolarHBondContact O-N 3.06Å |
| 30 | D | 44.1 | Very low | 50.8 | Low | 54 Ų | 54 | 72.1 Ų | 72.1 | 29% | 0.289 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 125.1 | 169.9 | 172.5 | 48.1 | 0 | 0 | 0 | 110.2 | T28 L32 T33 G34 R35 V37 | T28-D30 PolarHBondContact O-N 3.45Å; D30-L32 PolarHBondContact O-N 2.8Å; D30-T33 WeakPolarHBondContact CB-OG1 3.36Å; D30-T33 PolarHBondContact O-N 3.23Å; D30-T33 VanDerWaalsContact OD2-CB 3.23Å; D30-T33 WeakPolarHBondContact OD2-CB 3.48Å; D30-T33 VanDerWaalsContact OD2-CG2 3.3Å; D30-T33 WeakPolarHBondContact OD2-CG2 3.38Å; D30-T33 PolarHBondContact OD2-N 2.77Å; D30-T33 PolarHBondContact OD2-OG1 2.99Å; D30-G34 WeakPolarHBondContact O-CA 3.4Å; D30-G34 PolarHBondContact O-N 2.76Å; D30-R35 WeakPolarHBondContact CB-O 3.31Å; D30-R35 PolarHBondContact N-O 3.42Å; D30-V37 HydrophobicContact CB-CG2 4.32Å |
| 31 | A | 53.3 | Low | 51.3 | Low | 104 Ų | 104 | 76.2 Ų | 76.2 | 86% | 0.86 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -24.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | P29 | P29-A31 PolarHBondContact O-N 3.06Š|
| 32 | L | 48.2 | Very low | 51.2 | Low | 164 Ų | 164 | 78.1 Ų | 78.1 | 86% | 0.859 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -40.8 | 179.2 | -87.6 | 109.4 | 0 | 0 | 0 | 113.5 | D30 | D30-L32 PolarHBondContact O-N 2.8Š|
| 33 | T | 50.3 | Low | 51 | Low | 98 Ų | 98 | 80 Ų | 80 | 60% | 0.601 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | -9.9 | -173.9 | 65.2 | 0 | 0 | 0 | 0 | 113.6 | D30 R35 | D30-T33 WeakPolarHBondContact CB-OG1 3.36Å; D30-T33 PolarHBondContact O-N 3.23Å; D30-T33 VanDerWaalsContact OD2-CB 3.23Å; D30-T33 WeakPolarHBondContact OD2-CB 3.48Å; D30-T33 VanDerWaalsContact OD2-CG2 3.3Å; D30-T33 WeakPolarHBondContact OD2-CG2 3.38Å; D30-T33 PolarHBondContact OD2-N 2.77Å; D30-T33 PolarHBondContact OD2-OG1 2.99Å; T33-R35 PolarHBondContact O-N 2.93Å; T33-R35 WeakPolarHBondContact OG1-CB 3.1Å; T33-R35 PolarHBondContact OG1-N 2.8Å |
| 34 | G | 42.8 | Very low | 51.3 | Low | 55 Ų | 55 | 83 Ų | 83 | 57% | 0.567 | 45% | 0.448 | S | S | * | . | trans | 62.3 | 6.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D30 | D30-G34 WeakPolarHBondContact O-CA 3.4Å; D30-G34 PolarHBondContact O-N 2.76Å | ||
| 35 | R | 36.1 | Very low | 52.3 | Low | 198 Ų | 198 | 86 Ų | 86 | 75% | 0.747 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -87.6 | 128.6 | -173.3 | -156.8 | 175.3 | -174.4 | -172.8 | 0.6 | 109.2 | D30 T33 V37 | D30-R35 WeakPolarHBondContact CB-O 3.31Å; D30-R35 PolarHBondContact N-O 3.42Å; T33-R35 PolarHBondContact O-N 2.93Å; T33-R35 WeakPolarHBondContact OG1-CB 3.1Å; T33-R35 PolarHBondContact OG1-N 2.8Å; R35-V37 PolarHBondContact O-N 3.33Å |
| 36 | V | 41.4 | Very low | 53.4 | Low | 47 Ų | 47 | 83.3 Ų | 83.3 | 29% | 0.285 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 127 | 179.9 | -179.1 | 0 | 0 | 0 | 0 | 109.9 | E27 | E27-V36 HydrophobicContact CB-CG1 3.72Å; E27-V36 HydrophobicContact CG-CG1 3.8Å |
| 37 | V | 41.6 | Very low | 54.9 | Low | 79 Ų | 79 | 87.1 Ų | 87.1 | 48% | 0.479 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 121.9 | 177.6 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | D30 R35 | D30-V37 HydrophobicContact CB-CG2 4.32Å; R35-V37 PolarHBondContact O-N 3.33Å |
| 38 | Y | 44 | Very low | 56.4 | Low | 137 Ų | 137 | 86.8 Ų | 86.8 | 54% | 0.537 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 122.6 | 177.2 | -62.7 | -86.4 | 0 | 0 | 0 | 110.3 | ||
| 39 | L | 48.9 | Very low | 58.1 | Low | 53 Ų | 53 | 85.8 Ų | 85.8 | 28% | 0.277 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -88.5 | 127.4 | 172.9 | -67.1 | 174.1 | 0 | 0 | 0 | 110.7 | D26 T43 | D26-L39 HydrophobicContact CB-CB 4.34Å; D26-L39 HydrophobicContact CB-CD1 3.58Å; D26-L39 HydrophobicContact CB-CG 4.18Å; L39-T43 WeakPolarHBondContact CB-OG1 3.23Å; L39-T43 HydrophobicContact CD2-CG2 4.45Å |
| 40 | E | 51.1 | Low | 60.1 | Low | 142 Ų | 142 | 85.2 Ų | 85.2 | 66% | 0.664 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 162.4 | 174.3 | -70.1 | -175.9 | 174.3 | 0 | 0 | 111.5 | K42 T43 | E40-K42 PolarHBondContact O-N 2.89Å; E40-T43 PolarHBondContact O-N 2.92Å |
| 41 | N | 53.4 | Low | 62.3 | Low | 94 Ų | 94 | 84.7 Ų | 84.7 | 50% | 0.503 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 1 | -176.7 | -156.4 | 12.9 | 0 | 0 | 0 | 115.5 | R140 | N41-R140 PolarHBondContact OD1-NH2 2.82Š|
| 42 | K | 52.2 | Low | 64.1 | Low | 174 Ų | 174 | 84.2 Ų | 84.2 | 76% | 0.757 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -25.6 | -177.5 | -68.5 | -178 | -179.6 | 171.7 | 0 | 114.5 | E40 V44 | E40-K42 PolarHBondContact O-N 2.89Å; K42-V44 PolarHBondContact O-N 3.17Å |
| 43 | T | 54.4 | Low | 66 | Low | 56 Ų | 56 | 80.3 Ų | 80.3 | 34% | 0.344 | 42% | 0.424 | S | S | . | . | trans | -82.6 | 104 | -179.8 | 53.5 | 0 | 0 | 0 | 0 | 110.1 | L39 E40 L45 R140 | L39-T43 WeakPolarHBondContact CB-OG1 3.23Å; L39-T43 HydrophobicContact CD2-CG2 4.45Å; E40-T43 PolarHBondContact O-N 2.92Å; T43-L45 PolarHBondContact O-N 2.81Å; T43-R140 WeakPolarHBondContact O-CD 3.18Å; T43-R140 PolarHBondContact O-NE 3.24Å | ||
| 44 | V | 70.5 | Confident | 67.9 | Low | 71 Ų | 71 | 76 Ų | 76 | 43% | 0.43 | 40% | 0.397 | S | S | . | . | trans | -71.8 | -18.5 | 176.9 | -177.9 | 0 | 0 | 0 | 0 | 111.5 | K42 R140 I141 | K42-V44 PolarHBondContact O-N 3.17Å; V44-R140 CarbonylContact O-C 3.57Å; V44-R140 VanDerWaalsContact O-CA 3.3Å; V44-R140 WeakPolarHBondContact O-CA 3.27Å; V44-I141 HydrophobicContact CG1-CD1 4.1Å; V44-I141 HydrophobicContact CG1-CG1 4.23Å; V44-I141 PolarHBondContact O-N 3.13Å | ||
| 45 | L | 82.1 | Confident | 70 | Confident | 65 Ų | 65 | 74.2 Ų | 74.2 | 34% | 0.34 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 132.2 | -169.9 | -169.8 | 73.7 | 0 | 0 | 0 | 112.1 | T43 N47 I141 R143 | T43-L45 PolarHBondContact O-N 2.81Å; L45-N47 VanDerWaalsContact CD2-OD1 3.24Å; L45-N47 WeakPolarHBondContact CD2-OD1 3.23Å; L45-N47 WeakPolarHBondContact CG-OD1 3.42Å; L45-I141 CarbonylContact C-O 3.55Å; L45-I141 WeakPolarHBondContact CA-O 3.27Å; L45-I141 HydrophobicContact CD1-CB 4.12Å; L45-I141 HydrophobicContact CD1-CG2 3.91Å; L45-I141 WeakPolarHBondContact CD1-O 3.48Å; L45-R143 HydrophobicContact CD1-CB 4.26Å; L45-R143 HydrophobicContact CD1-CG 3.73Å |
| 46 | I | 86.1 | Confident | 72.5 | Confident | 3 Ų | 3 | 64.8 Ų | 64.8 | 2% | 0.015 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 126.7 | 167.7 | -60.8 | 174.3 | 0 | 0 | 0 | 107.1 | D26 V54 I56 R140 I141 L142 R143 | D26-I46 HydrophobicContact CB-CG1 4.47Å; D26-I46 WeakPolarHBondContact OD2-CG2 3.22Å; I46-V54 HydrophobicContact CG2-CG1 4.23Å; I46-I56 HydrophobicContact CD1-CD1 3.94Å; I46-I56 HydrophobicContact CD1-CG1 4.02Å; I46-I56 HydrophobicContact CD1-CG2 4.22Å; I46-R140 HydrophobicContact CD1-CB 3.72Å; I46-R140 HydrophobicContact CD1-CG 4.01Å; I46-R140 HydrophobicContact CG1-CB 4.07Å; I46-R140 HydrophobicContact CG1-CG 4.4Å; I46-I141 PolarHBondContact N-O 2.7Å; I46-L142 HydrophobicContact CB-CD1 4.04Å; I46-L142 HydrophobicContact CG2-CD1 3.65Å; I46-L142 WeakPolarHBondContact O-CA 3.4Å; I46-R143 PolarHBondContact O-N 3.3Å |
| 47 | N | 88 | Confident | 74.7 | Confident | 88 Ų | 88 | 62.9 Ų | 62.9 | 47% | 0.471 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 118.3 | 176.3 | -67.7 | -20.7 | 0 | 0 | 0 | 109 | L45 R143 F145 | L45-N47 VanDerWaalsContact CD2-OD1 3.24Å; L45-N47 WeakPolarHBondContact CD2-OD1 3.23Å; L45-N47 WeakPolarHBondContact CG-OD1 3.42Å; N47-R143 WeakPolarHBondContact CA-O 3.41Å; N47-F145 HydrophobicContact CB-CD2 4.13Å; N47-F145 HydrophobicContact CB-CE2 3.81Å; N47-F145 WeakPolarHBondContact OD1-CE2 3.3Å |
| 48 | G | 89.9 | Confident | 76.9 | Confident | 4 Ų | 4 | 59.1 Ų | 59.1 | 4% | 0.041 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 155 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R143 V144 F145 | G48-R143 PolarHBondContact N-O 2.84Å; G48-V144 WeakPolarHBondContact O-CA 3.37Å; G48-F145 PolarHBondContact O-N 2.68Å |
| 49 | L | 89.8 | Confident | 78.9 | Confident | 32 Ų | 32 | 53 Ų | 53 | 17% | 0.168 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 141.3 | 171.1 | -70.2 | 169.1 | 0 | 0 | 0 | 110.4 | G51 E52 F145 K147 M226 | L49-G51 PolarHBondContact O-N 2.91Å; L49-E52 HydrophobicContact CB-CB 4.43Å; L49-E52 HydrophobicContact CB-CG 3.96Å; L49-E52 WeakPolarHBondContact CD1-OE1 3.24Å; L49-E52 WeakPolarHBondContact O-CB 3.03Å; L49-E52 PolarHBondContact O-N 3.11Å; L49-F145 CarbonylContact C-O 3.6Å; L49-F145 VanDerWaalsContact CA-O 3.32Å; L49-F145 WeakPolarHBondContact CA-O 3.38Å; L49-F145 HydrophobicContact CD2-CB 4.08Å; L49-K147 HydrophobicContact CD2-CG 4.47Å; L49-M226 HydrophobicContact CD2-CB 4.17Å; L49-M226 HydrophobicContact CD2-CG 4.04Å; L49-M226 HydrophobicContact CD2-SD 3.79Å |
| 50 | V | 93.5 | Very high | 80.5 | Confident | 71 Ų | 71 | 50.7 Ų | 50.7 | 43% | 0.43 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 132.9 | 173.2 | 173 | 0 | 0 | 0 | 0 | 110.2 | E52 L115 V144 F145 A146 | V50-E52 VanDerWaalsContact C-N 3.29Å; V50-E52 PolarHBondContact O-N 2.94Å; V50-L115 CarbonylContact C-O 3.57Å; V50-L115 WeakPolarHBondContact CA-O 3.47Å; V50-V144 HydrophobicContact CG2-CG1 3.62Å; V50-F145 WeakPolarHBondContact CG2-O 3.42Å; V50-F145 PolarHBondContact N-O 3.26Å; V50-A146 HydrophobicContact CB-CB 4.31Å; V50-A146 HydrophobicContact CG2-CB 3.93Å |
| 51 | G | 91.6 | Very high | 81.9 | Confident | 44 Ų | 44 | 48 Ų | 48 | 45% | 0.454 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.2 | -18.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L49 S114 L115 | L49-G51 PolarHBondContact O-N 2.91Å; G51-S114 WeakPolarHBondContact CA-OG 3.34Å; G51-S114 PolarHBondContact O-OG 3.08Å; G51-L115 PolarHBondContact N-O 3.09Å |
| 52 | E | 90 | Very high | 83.2 | Confident | 94 Ų | 94 | 48.7 Ų | 48.7 | 44% | 0.439 | 26% | 0.259 | S | S | . | . | trans | -85.3 | 159.7 | -177.5 | -64.2 | -171.5 | 174.1 | 0 | 0 | 112.7 | L49 V50 L115 | L49-E52 HydrophobicContact CB-CB 4.43Å; L49-E52 HydrophobicContact CB-CG 3.96Å; L49-E52 WeakPolarHBondContact CD1-OE1 3.24Å; L49-E52 WeakPolarHBondContact O-CB 3.03Å; L49-E52 PolarHBondContact O-N 3.11Å; V50-E52 VanDerWaalsContact C-N 3.29Å; V50-E52 PolarHBondContact O-N 2.94Å; E52-L115 WeakPolarHBondContact O-CG 3.11Å; E52-L115 PolarHBondContact O-N 3.48Å | ||
| 53 | K | 87.9 | Confident | 84.4 | Confident | 82 Ų | 82 | 42.5 Ų | 42.5 | 36% | 0.357 | 23% | 0.233 | S | C | . | . | trans | -86.3 | 134.1 | 176 | 178 | 175 | -175.3 | 167 | 0 | 110.2 | I55 E111 I112 M113 | K53-I55 HydrophobicContact CD-CD1 4.33Å; K53-I55 HydrophobicContact CD-CG1 4.45Å; K53-I55 HydrophobicContact CG-CG1 4.32Å; K53-E111 WeakPolarHBondContact CE-OE2 3.45Å; K53-E111 IonicContact NZ-OE2 2.78Å; K53-E111 PolarHBondContact NZ-OE2 3.31Å; K53-I112 CarbonylContact C-O 3.53Å; K53-I112 VanDerWaalsContact CA-O 3.27Å; K53-I112 WeakPolarHBondContact CA-O 3.48Å; K53-I112 WeakPolarHBondContact CG-O 3.44Å; K53-M113 HydrophobicContact CD-CE 4.42Å; K53-M113 HydrophobicContact CD-SD 3.82Å; K53-M113 VanDerWaalsContact CE-SD 3.5Å; K53-M113 HydrophobicContact CG-SD 4.38Å; K53-M113 PolarHBondContact NZ-SD 3.16Å; K53-M113 VanDerWaalsContact NZ-SD 3.39Å | ||
| 54 | V | 89.9 | Confident | 85.5 | Confident | 6 Ų | 6 | 41.4 Ų | 41.4 | 4% | 0.036 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 137.8 | 170.5 | 166.9 | 0 | 0 | 0 | 0 | 110.3 | I46 I56 I112 L115 L142 | I46-V54 HydrophobicContact CG2-CG1 4.23Å; V54-I56 HydrophobicContact CG1-CG1 3.99Å; V54-I112 PolarHBondContact N-O 3.3Å; V54-I112 PolarHBondContact O-N 3.48Å; V54-L115 HydrophobicContact CB-CD1 4.21Å; V54-L115 HydrophobicContact CB-CG 4.5Å; V54-L115 HydrophobicContact CG2-CD1 3.43Å; V54-L115 VanDerWaalsContact CG2-CD1 3.43Å; V54-L115 HydrophobicContact CG2-CG 4.19Å; V54-L142 HydrophobicContact CG1-CD1 4.47Å |
| 55 | I | 88.7 | Confident | 86 | Confident | 18 Ų | 18 | 50 Ų | 50 | 9% | 0.092 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 124.4 | -179.7 | -64.7 | 153.6 | 0 | 0 | 0 | 107.7 | E27 K53 R109 L110 E111 | E27-I55 HydrophobicContact CB-CB 4.27Å; E27-I55 HydrophobicContact CB-CG2 4.16Å; E27-I55 PolarHBondContact N-O 2.94Å; K53-I55 HydrophobicContact CD-CD1 4.33Å; K53-I55 HydrophobicContact CD-CG1 4.45Å; K53-I55 HydrophobicContact CG-CG1 4.32Å; I55-R109 HydrophobicContact CG2-CG 3.68Å; I55-L110 CarbonylContact C-O 3.54Å; I55-L110 WeakPolarHBondContact CA-O 3.39Å; I55-E111 HydrophobicContact CG1-CB 4.5Å; I55-E111 HydrophobicContact CG1-CG 4.14Å; I55-E111 HydrophobicContact CG2-CG 4.48Å |
| 56 | I | 88.6 | Confident | 85.9 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 120.8 | 177.2 | -45.2 | -178.9 | 0 | 0 | 0 | 108.2 | I24 I46 V54 W71 L110 Y123 | I24-I56 HydrophobicContact CG2-CG2 3.4Å; I46-I56 HydrophobicContact CD1-CD1 3.94Å; I46-I56 HydrophobicContact CD1-CG1 4.02Å; I46-I56 HydrophobicContact CD1-CG2 4.22Å; V54-I56 HydrophobicContact CG1-CG1 3.99Å; I56-W71 HydrophobicContact CB-CH2 4.09Å; I56-W71 HydrophobicContact CB-CZ2 4.24Å; I56-W71 HydrophobicContact CG2-CH2 3.32Å; I56-W71 HydrophobicContact CG2-CZ2 3.89Å; I56-W71 HydrophobicContact CG2-CZ3 4.08Å; I56-L110 HydrophobicContact CB-CB 4.47Å; I56-L110 HydrophobicContact CD1-CD2 4.46Å; I56-L110 PolarHBondContact N-O 3.2Å; I56-L110 PolarHBondContact O-N 2.91Å; I56-Y123 HydrophobicContact CD1-CD1 4.44Å; I56-Y123 HydrophobicContact CD1-CG 4.15Å |
| 57 | Q | 87.3 | Confident | 85.8 | Confident | 6 Ų | 6 | 50.5 Ų | 50.5 | 3% | 0.028 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 128.9 | 179.2 | -176.7 | 170.6 | -37.2 | 0 | 0 | 110.6 | I24 Y25 E27 N59 | I24-Q57 CarbonylContact C-O 3.57Å; I24-Q57 VanDerWaalsContact CA-O 3.27Å; I24-Q57 WeakPolarHBondContact CA-O 3.39Å; Y25-Q57 PolarHBondContact N-O 3.48Å; Y25-Q57 PolarHBondContact O-N 3.17Å; E27-Q57 PolarHBondContact OE1-OE1 2.92Å; Q57-N59 WeakPolarHBondContact CG-OD1 3.44Å; Q57-N59 PolarHBondContact NE2-OD1 2.84Å |
| 58 | C | 88.1 | Confident | 85.7 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 122.3 | 172.4 | 178.1 | 0 | 0 | 0 | 0 | 110.5 | V22 S23 I24 W71 S107 V108 C125 | V22-C58 WeakPolarHBondContact CG1-SG 2.99Å; S23-C58 WeakPolarHBondContact O-CA 3.47Å; I24-C58 HydrophobicContact CG1-CB 4.4Å; C58-W71 HydrophobicContact CB-CH2 3.91Å; C58-W71 HydrophobicContact CB-CZ2 3.38Å; C58-S107 CarbonylContact O-C 3.59Å; C58-S107 WeakPolarHBondContact O-CA 3.22Å; C58-S107 WeakPolarHBondContact O-CB 2.97Å; C58-V108 PolarHBondContact N-O 2.88Å; C58-V108 PolarHBondContact O-N 3.19Å; C58-C125 HydrophobicContact CB-CB 3.55Å; C58-C125 WeakPolarHBondContact CB-SG 3.2Å; C58-C125 WeakPolarHBondContact SG-CB 3.35Å; C58-C125 CovalentContact SG-SG 2Å; C58-C125 PolarHBondContact SG-SG 2.81Å |
| 59 | N | 85 | Confident | 85.6 | Confident | 9 Ų | 9 | 55.2 Ų | 55.2 | 5% | 0.048 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 135.1 | 176.2 | -62.9 | -18.4 | 0 | 0 | 0 | 109.2 | V22 S23 Y25 Q57 F61 S107 | V22-N59 WeakPolarHBondContact CA-O 3.49Å; S23-N59 PolarHBondContact N-O 2.98Å; S23-N59 PolarHBondContact O-N 3.28Å; Y25-N59 WeakPolarHBondContact CD2-ND2 3.35Å; Y25-N59 HydrophobicContact CE2-CB 4.13Å; Y25-N59 WeakPolarHBondContact CE2-ND2 3.19Å; Q57-N59 WeakPolarHBondContact CG-OD1 3.44Å; Q57-N59 PolarHBondContact NE2-OD1 2.84Å; N59-F61 HydrophobicContact CB-CZ 4.45Å; N59-S107 WeakPolarHBondContact OD1-CB 3.46Å |
| 60 | V | 83 | Confident | 85.6 | Confident | 5 Ų | 5 | 55.2 Ų | 55.2 | 3% | 0.03 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 116.1 | 174.6 | -177.7 | 0 | 0 | 0 | 0 | 108.8 | P20 E21 V22 M63 I69 D106 C127 | P20-V60 HydrophobicContact CB-CG1 3.9Å; E21-V60 WeakPolarHBondContact O-CA 3.33Å; V22-V60 HydrophobicContact CG1-CG2 4.13Å; V22-V60 HydrophobicContact CG2-CG1 4.47Å; V22-V60 HydrophobicContact CG2-CG2 4.11Å; V60-M63 HydrophobicContact CB-CB 4.42Å; V60-M63 HydrophobicContact CB-SD 4.42Å; V60-M63 HydrophobicContact CG1-CB 3.88Å; V60-M63 HydrophobicContact CG1-CG 4.07Å; V60-M63 HydrophobicContact CG1-SD 4.47Å; V60-I69 HydrophobicContact CB-CD1 4.05Å; V60-I69 HydrophobicContact CG2-CD1 3.42Å; V60-I69 VanDerWaalsContact CG2-CD1 3.42Å; V60-I69 HydrophobicContact CG2-CG1 3.69Å; V60-D106 PolarHBondContact N-O 2.87Å; V60-D106 WeakPolarHBondContact O-CB 3.4Å; V60-C127 HydrophobicContact CG1-CB 4.22Å; V60-C127 HydrophobicContact CG2-CB 4.08Å |
| 61 | F | 80.4 | Confident | 85.6 | Confident | 86 Ų | 86 | 51.8 Ų | 51.8 | 38% | 0.377 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 144.1 | 173.7 | -56.5 | -77.6 | 0 | 0 | 0 | 110 | P20 E21 S23 N59 M63 | P20-F61 VanDerWaalsContact CA-O 3.27Å; P20-F61 WeakPolarHBondContact CA-O 3.25Å; P20-F61 WeakPolarHBondContact CB-O 3.41Å; E21-F61 HydrophobicContact CB-CB 4.44Å; E21-F61 HydrophobicContact CB-CD2 4.38Å; E21-F61 PolarHBondContact N-O 3.24Å; E21-F61 PolarHBondContact O-N 3.42Å; S23-F61 WeakPolarHBondContact OG-CE2 3.46Å; N59-F61 HydrophobicContact CB-CZ 4.45Å; F61-M63 VanDerWaalsContact C-N 3.31Å; F61-M63 PolarHBondContact O-N 3.08Å |
| 62 | N | 79.7 | Confident | 85.7 | Confident | 107 Ų | 107 | 53.6 Ų | 53.6 | 57% | 0.572 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 42.2 | -178.8 | -55.8 | -39.3 | 0 | 0 | 0 | 113 | V18 P64 | V18-N62 HydrophobicContact CG1-CB 4.39Å; N62-P64 VanDerWaalsContact O-CD 3.23Å; N62-P64 WeakPolarHBondContact O-CD 3.43Å |
| 63 | M | 78.2 | Confident | 85.9 | Confident | 45 Ų | 45 | 49.6 Ų | 49.6 | 22% | 0.222 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -62.5 | 119.1 | -177.2 | -170.1 | 169 | 177.7 | 0 | 0 | 111.2 | V60 F61 A67 I69 D106 | V60-M63 HydrophobicContact CB-CB 4.42Å; V60-M63 HydrophobicContact CB-SD 4.42Å; V60-M63 HydrophobicContact CG1-CB 3.88Å; V60-M63 HydrophobicContact CG1-CG 4.07Å; V60-M63 HydrophobicContact CG1-SD 4.47Å; F61-M63 VanDerWaalsContact C-N 3.31Å; F61-M63 PolarHBondContact O-N 3.08Å; M63-A67 HydrophobicContact CE-CB 3.7Å; M63-A67 WeakPolarHBondContact CE-O 3.36Å; M63-A67 HydrophobicContact CG-CB 3.86Å; M63-I69 HydrophobicContact CE-CD1 4.07Å; M63-I69 HydrophobicContact CE-CG1 3.72Å; M63-I69 HydrophobicContact SD-CD1 3.82Å; M63-I69 HydrophobicContact SD-CG1 4.09Å; M63-D106 HydrophobicContact CB-CB 4.02Å; M63-D106 HydrophobicContact SD-CB 3.85Å |
| 64 | P | 77.9 | Confident | 86.1 | Confident | 32 Ų | 32 | 47.5 Ų | 47.5 | 21% | 0.208 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -65.9 | 153.4 | 179.6 | -21.8 | 33.6 | 0 | 0 | 0 | 112.4 | P20 N62 G66 A67 Y129 | P20-P64 HydrophobicContact CG-CG 4.27Å; N62-P64 VanDerWaalsContact O-CD 3.23Å; N62-P64 WeakPolarHBondContact O-CD 3.43Å; P64-G66 PolarHBondContact O-N 2.78Å; P64-A67 HydrophobicContact CB-CB 4.39Å; P64-A67 WeakPolarHBondContact O-CB 3.49Å; P64-A67 PolarHBondContact O-N 2.93Å; P64-Y129 HydrophobicContact CG-CD2 4.19Å; P64-Y129 HydrophobicContact CG-CG 4.03Å |
| 65 | R | 79.5 | Confident | 86.1 | Confident | 252 Ų | 252 | 48.5 Ų | 48.5 | 95% | 0.951 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 127.7 | 176.5 | -69.9 | -174.6 | -179.8 | 179.5 | 2.3 | 110.9 | A67 | R65-A67 VanDerWaalsContact C-N 3.27Å; R65-A67 PolarHBondContact O-N 2.84Å |
| 66 | G | 81 | Confident | 85.9 | Confident | 66 Ų | 66 | 51.7 Ų | 51.7 | 68% | 0.68 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | 2.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | P64 | P64-G66 PolarHBondContact O-N 2.78Š|
| 67 | A | 83.8 | Confident | 85.6 | Confident | 12 Ų | 12 | 55 Ų | 55 | 10% | 0.099 | 28% | 0.275 | C | S | . | . | trans | -63 | 157.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | M63 P64 R65 Q128 | M63-A67 HydrophobicContact CE-CB 3.7Å; M63-A67 WeakPolarHBondContact CE-O 3.36Å; M63-A67 HydrophobicContact CG-CB 3.86Å; P64-A67 HydrophobicContact CB-CB 4.39Å; P64-A67 WeakPolarHBondContact O-CB 3.49Å; P64-A67 PolarHBondContact O-N 2.93Å; R65-A67 VanDerWaalsContact C-N 3.27Å; R65-A67 PolarHBondContact O-N 2.84Å; A67-Q128 CarbonylContact C-O 3.59Å; A67-Q128 VanDerWaalsContact CA-O 3.31Å; A67-Q128 WeakPolarHBondContact CA-O 3.49Å | ||
| 68 | R | 85.7 | Confident | 85.1 | Confident | 178 Ų | 178 | 57.6 Ų | 57.6 | 67% | 0.672 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 138.9 | 179.5 | -63 | -175.3 | -178.8 | -168.9 | -0.3 | 110.8 | C127 Q128 | R68-C127 WeakPolarHBondContact O-CA 3.3Å; R68-Q128 PolarHBondContact N-O 2.72Å; R68-Q128 PolarHBondContact O-N 3.49Å |
| 69 | I | 88.4 | Confident | 84.6 | Confident | 14 Ų | 14 | 64.6 Ų | 64.6 | 7% | 0.072 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 130.9 | 176.8 | -55.8 | 170.7 | 0 | 0 | 0 | 108.7 | V60 M63 N86 V108 C125 E126 | V60-I69 HydrophobicContact CB-CD1 4.05Å; V60-I69 HydrophobicContact CG2-CD1 3.42Å; V60-I69 VanDerWaalsContact CG2-CD1 3.42Å; V60-I69 HydrophobicContact CG2-CG1 3.69Å; M63-I69 HydrophobicContact CE-CD1 4.07Å; M63-I69 HydrophobicContact CE-CG1 3.72Å; M63-I69 HydrophobicContact SD-CD1 3.82Å; M63-I69 HydrophobicContact SD-CG1 4.09Å; I69-N86 PolarHBondContact O-ND2 2.96Å; I69-V108 HydrophobicContact CB-CG2 3.75Å; I69-V108 HydrophobicContact CD1-CG2 3.99Å; I69-V108 HydrophobicContact CG1-CG2 4.45Å; I69-V108 HydrophobicContact CG2-CB 4.04Å; I69-V108 HydrophobicContact CG2-CG2 3.78Å; I69-C125 VanDerWaalsContact CG2-SG 3.54Å; I69-E126 WeakPolarHBondContact CA-O 3.5Å |
| 70 | F | 90.3 | Very high | 84.3 | Confident | 31 Ų | 31 | 69 Ų | 69 | 14% | 0.136 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 152.5 | 169.7 | 52.2 | -92.2 | 0 | 0 | 0 | 112.1 | R72 N86 E126 Q128 | F70-R72 HydrophobicContact CD2-CG 4.07Å; F70-R72 HydrophobicContact CE2-CG 4.26Å; F70-N86 WeakPolarHBondContact CA-OD1 2.95Å; F70-N86 WeakPolarHBondContact CB-OD1 3.29Å; F70-E126 HydrophobicContact CD2-CB 3.87Å; F70-E126 HydrophobicContact CD2-CG 4.41Å; F70-E126 HydrophobicContact CE1-CG 4.25Å; F70-E126 HydrophobicContact CE2-CB 3.38Å; F70-E126 HydrophobicContact CE2-CG 3.47Å; F70-E126 VanDerWaalsContact CE2-CG 3.47Å; F70-E126 WeakPolarHBondContact CE2-OE1 3.43Å; F70-E126 HydrophobicContact CZ-CB 3.77Å; F70-E126 HydrophobicContact CZ-CG 3.39Å; F70-E126 WeakPolarHBondContact CZ-OE1 3.32Å; F70-E126 PolarHBondContact N-O 2.99Å; F70-E126 PolarHBondContact O-N 2.92Å; F70-Q128 HydrophobicContact CE1-CB 3.66Å; F70-Q128 HydrophobicContact CZ-CB 4.21Å |
| 71 | W | 93.5 | Very high | 84.4 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 134 | 172.7 | -76.5 | 107.2 | 0 | 0 | 0 | 109.5 | I24 I56 C58 I85 N86 L110 T124 C125 | I24-W71 HydrophobicContact CD1-CH2 3.64Å; I24-W71 HydrophobicContact CD1-CZ3 3.68Å; I24-W71 HydrophobicContact CG1-CH2 3.74Å; I24-W71 HydrophobicContact CG1-CZ3 4.29Å; I24-W71 HydrophobicContact CG2-CH2 4.27Å; I56-W71 HydrophobicContact CB-CH2 4.09Å; I56-W71 HydrophobicContact CB-CZ2 4.24Å; I56-W71 HydrophobicContact CG2-CH2 3.32Å; I56-W71 HydrophobicContact CG2-CZ2 3.89Å; I56-W71 HydrophobicContact CG2-CZ3 4.08Å; C58-W71 HydrophobicContact CB-CH2 3.91Å; C58-W71 HydrophobicContact CB-CZ2 3.38Å; W71-I85 HydrophobicContact CB-CB 3.82Å; W71-I85 HydrophobicContact CB-CD1 3.9Å; W71-I85 HydrophobicContact CB-CG1 4.15Å; W71-I85 HydrophobicContact CB-CG2 4.23Å; W71-I85 PolarHBondContact O-N 3.24Å; W71-N86 PolarHBondContact N-OD1 3.46Å; W71-L110 HydrophobicContact CD2-CB 4.4Å; W71-L110 HydrophobicContact CD2-CD2 4.31Å; W71-L110 HydrophobicContact CG-CB 4.42Å; W71-L110 HydrophobicContact CG-CD2 4.4Å; W71-L110 HydrophobicContact CZ2-CB 4.48Å; W71-T124 CarbonylContact C-O 3.59Å; W71-T124 WeakPolarHBondContact CA-O 3.49Å; W71-C125 HydrophobicContact CD2-CB 4.28Å; W71-C125 HydrophobicContact CE3-CB 3.94Å; W71-C125 HydrophobicContact CH2-CB 3.87Å; W71-C125 HydrophobicContact CZ2-CB 4.23Å; W71-C125 HydrophobicContact CZ3-CB 3.71Å |
| 72 | R | 92.7 | Very high | 84.7 | Confident | 82 Ų | 82 | 74 Ų | 74 | 31% | 0.309 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 142.2 | 169.1 | -75.9 | -177.9 | 175.2 | 144.4 | 3.1 | 110.1 | F70 E83 V84 Y123 T124 E126 | F70-R72 HydrophobicContact CD2-CG 4.07Å; F70-R72 HydrophobicContact CE2-CG 4.26Å; R72-E83 CarbonylContact C-O 3.58Å; R72-E83 VanDerWaalsContact CA-O 3.27Å; R72-E83 WeakPolarHBondContact CA-O 3.47Å; R72-V84 HydrophobicContact CG-CG2 4.33Å; R72-Y123 CarbonylContact O-C 3.56Å; R72-Y123 WeakPolarHBondContact O-CA 3.44Å; R72-T124 PolarHBondContact N-O 3.06Å; R72-T124 PolarHBondContact O-N 3.14Å; R72-E126 IonicContact CZ-OE1 3.62Å; R72-E126 IonicContact CZ-OE2 3.63Å; R72-E126 IonicContact NH1-OE1 3.81Å; R72-E126 PolarHBondContact NH1-OE1 3.42Å; R72-E126 IonicContact NH1-OE2 2.93Å; R72-E126 PolarHBondContact NH1-OE2 3.15Å; R72-E126 IonicContact NH2-OE1 3.91Å |
| 73 | R | 93.4 | Very high | 85.2 | Confident | 9 Ų | 9 | 71.3 Ų | 71.3 | 3% | 0.034 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 125.6 | 172.7 | -173.7 | -173.4 | 79.4 | 89.9 | 4.6 | 109.4 | E80 S82 E83 I85 S118 K122 Y123 | R73-E80 IonicContact NH2-OE2 3.07Å; R73-E80 PolarHBondContact NH2-OE2 2.81Å; R73-S82 WeakPolarHBondContact O-CA 3.45Å; R73-E83 HydrophobicContact CB-CB 4.42Å; R73-E83 IonicContact CZ-OE1 2.82Å; R73-E83 IonicContact CZ-OE2 2.73Å; R73-E83 PolarHBondContact N-O 2.98Å; R73-E83 IonicContact NE-OE1 2.96Å; R73-E83 IonicContact NE-OE2 3.74Å; R73-E83 PolarHBondContact NE-OE2 3.23Å; R73-E83 VanDerWaalsContact NE-OE2 3.11Å; R73-E83 IonicContact NH2-OE1 3.58Å; R73-E83 PolarHBondContact NH2-OE1 3.1Å; R73-E83 IonicContact NH2-OE2 3.64Å; R73-E83 PolarHBondContact NH2-OE2 3.28Å; R73-E83 PolarHBondContact O-N 2.88Å; R73-I85 HydrophobicContact CB-CD1 3.98Å; R73-I85 HydrophobicContact CB-CG1 4.31Å; R73-S118 PolarHBondContact NH1-O 3.38Å; R73-K122 WeakPolarHBondContact CA-O 3.32Å; R73-Y123 HydrophobicContact CB-CD1 4.35Å; R73-Y123 HydrophobicContact CB-CE1 4.17Å; R73-Y123 WeakPolarHBondContact CD-OH 3.11Å; R73-Y123 HydrophobicContact CG-CD1 4.36Å; R73-Y123 HydrophobicContact CG-CE1 3.91Å; R73-Y123 HydrophobicContact CG-CE2 4.13Å |
| 74 | D | 92.7 | Very high | 85.9 | Confident | 39 Ų | 39 | 72 Ų | 72 | 21% | 0.209 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 130 | 167.3 | -50 | -50.1 | 0 | 0 | 0 | 108.8 | S82 G121 K122 | D74-S82 WeakPolarHBondContact OD1-CB 3.38Å; D74-S82 PolarHBondContact OD1-OG 2.81Å; D74-G121 CarbonylContact O-C 3.59Å; D74-G121 WeakPolarHBondContact O-CA 3.35Å; D74-K122 HydrophobicContact CB-CB 4.27Å; D74-K122 PolarHBondContact N-O 3.38Å; D74-K122 PolarHBondContact O-N 2.68Å |
| 75 | S | 89.7 | Confident | 86.7 | Confident | 26 Ų | 26 | 70.5 Ų | 70.5 | 18% | 0.182 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 145.1 | 171.4 | 178.5 | 0 | 0 | 0 | 0 | 110.4 | S77 G78 | S75-S77 PolarHBondContact O-N 3Å; S75-S77 PolarHBondContact OG-N 2.99Å; S75-S77 PolarHBondContact OG-OG 2.96Å; S75-S77 VanDerWaalsContact OG-OG 3.07Å; S75-G78 PolarHBondContact O-N 2.95Å |
| 76 | L | 85.5 | Confident | 87.3 | Confident | 85 Ų | 85 | 58.7 Ų | 58.7 | 45% | 0.445 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -18.4 | 176.5 | -63.6 | -178.7 | 0 | 0 | 0 | 113.2 | G78 E120 I141 | L76-G78 VanDerWaalsContact C-N 3.28Å; L76-E120 HydrophobicContact CD1-CB 4.3Å; L76-I141 HydrophobicContact CD1-CG2 4.16Å; L76-I141 HydrophobicContact CD2-CG2 4.04Å |
| 77 | S | 81.8 | Confident | 87.7 | Confident | 71 Ų | 71 | 60.5 Ų | 60.5 | 50% | 0.497 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -25.7 | 173.5 | 62 | 0 | 0 | 0 | 0 | 112.5 | S75 D79 | S75-S77 PolarHBondContact O-N 3Å; S75-S77 PolarHBondContact OG-N 2.99Å; S75-S77 PolarHBondContact OG-OG 2.96Å; S75-S77 VanDerWaalsContact OG-OG 3.07Å; S77-D79 PolarHBondContact O-N 2.02Å; S77-D79 PolarHBondContact OG-N 2.9Å |
| 78 | G | 76.7 | Confident | 87.7 | Confident | 61 Ų | 61 | 62 Ų | 62 | 63% | 0.629 | 35% | 0.348 | S | S | * | . | S | Bend | trans | 75.4 | -3.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | S75 L76 E80 | S75-G78 PolarHBondContact O-N 2.95Å; L76-G78 VanDerWaalsContact C-N 3.28Å; G78-E80 VanDerWaalsContact C-N 3.35Å |
| 79 | D | 77.1 | Confident | 87.7 | Confident | 147 Ų | 147 | 57.7 Ų | 57.7 | 79% | 0.786 | 34% | 0.338 | S | S | * | . | trans | -80.7 | -17.7 | -178 | -62.1 | -41.2 | 0 | 0 | 0 | 113.1 | S77 | S77-D79 PolarHBondContact O-N 2.02Å; S77-D79 PolarHBondContact OG-N 2.9Å | ||
| 80 | E | 79.2 | Confident | 87.7 | Confident | 102 Ų | 102 | 63.6 Ų | 63.6 | 48% | 0.477 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -99.3 | 144 | -177.2 | -63.7 | -176.2 | 168.4 | 0 | 0 | 111.5 | R73 G78 | R73-E80 IonicContact NH2-OE2 3.07Å; R73-E80 PolarHBondContact NH2-OE2 2.81Å; G78-E80 VanDerWaalsContact C-N 3.35Å |
| 81 | V | 84.4 | Confident | 87.8 | Confident | 133 Ų | 133 | 63.1 Ų | 63.1 | 81% | 0.806 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -67.2 | 137.2 | 173.2 | -179 | 0 | 0 | 0 | 0 | 109.4 | E83 | V81-E83 PolarHBondContact O-N 2.99Š|
| 82 | S | 86.8 | Confident | 87.8 | Confident | 63 Ų | 63 | 70.9 Ų | 70.9 | 44% | 0.441 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -49.3 | 121.5 | 174.2 | -55.3 | 0 | 0 | 0 | 0 | 112.1 | R73 D74 | R73-S82 WeakPolarHBondContact O-CA 3.45Å; D74-S82 WeakPolarHBondContact OD1-CB 3.38Å; D74-S82 PolarHBondContact OD1-OG 2.81Å |
| 83 | E | 90.9 | Very high | 87.8 | Confident | 50 Ų | 50 | 69.2 Ų | 69.2 | 23% | 0.234 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 126.4 | 179.6 | -67.5 | 176.7 | -170.5 | 0 | 0 | 110.3 | R72 R73 V81 R96 W97 | R72-E83 CarbonylContact C-O 3.58Å; R72-E83 VanDerWaalsContact CA-O 3.27Å; R72-E83 WeakPolarHBondContact CA-O 3.47Å; R73-E83 HydrophobicContact CB-CB 4.42Å; R73-E83 IonicContact CZ-OE1 2.82Å; R73-E83 IonicContact CZ-OE2 2.73Å; R73-E83 PolarHBondContact N-O 2.98Å; R73-E83 IonicContact NE-OE1 2.96Å; R73-E83 IonicContact NE-OE2 3.74Å; R73-E83 PolarHBondContact NE-OE2 3.23Å; R73-E83 VanDerWaalsContact NE-OE2 3.11Å; R73-E83 IonicContact NH2-OE1 3.58Å; R73-E83 PolarHBondContact NH2-OE1 3.1Å; R73-E83 IonicContact NH2-OE2 3.64Å; R73-E83 PolarHBondContact NH2-OE2 3.28Å; R73-E83 PolarHBondContact O-N 2.88Å; V81-E83 PolarHBondContact O-N 2.99Å; E83-R96 IonicContact OE1-NH1 2.78Å; E83-R96 IonicContact OE1-NH2 2.76Å; E83-R96 IonicContact OE2-CZ 2.7Å; E83-R96 IonicContact OE2-NH1 3.26Å; E83-R96 PolarHBondContact OE2-NH1 3.46Å; E83-R96 IonicContact OE2-NH2 3.33Å; E83-R96 PolarHBondContact OE2-NH2 2.92Å; E83-W97 WeakPolarHBondContact OE2-CH2 3.48Å |
| 84 | V | 93.2 | Very high | 87.6 | Confident | 59 Ų | 59 | 76.2 Ų | 76.2 | 36% | 0.358 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 125 | 166.6 | -176.2 | 0 | 0 | 0 | 0 | 108 | R72 R92 | R72-V84 HydrophobicContact CG-CG2 4.33Å; V84-R92 WeakPolarHBondContact O-CD 3.44Å |
| 85 | I | 93.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 46% | 0.455 | C | S | . | . | trans | -88.3 | -38 | -169.8 | -61.9 | -171.5 | 0 | 0 | 0 | 111.7 | W71 R73 R92 W97 I99 L110 Y123 | W71-I85 HydrophobicContact CB-CB 3.82Å; W71-I85 HydrophobicContact CB-CD1 3.9Å; W71-I85 HydrophobicContact CB-CG1 4.15Å; W71-I85 HydrophobicContact CB-CG2 4.23Å; W71-I85 PolarHBondContact O-N 3.24Å; R73-I85 HydrophobicContact CB-CD1 3.98Å; R73-I85 HydrophobicContact CB-CG1 4.31Å; I85-R92 WeakPolarHBondContact O-CB 3.28Å; I85-R92 PolarHBondContact O-N 2.93Å; I85-W97 HydrophobicContact CB-CZ2 4.31Å; I85-W97 HydrophobicContact CG1-CH2 4.43Å; I85-W97 HydrophobicContact CG1-CZ2 4.05Å; I85-W97 HydrophobicContact CG2-CD2 3.98Å; I85-W97 HydrophobicContact CG2-CG 3.89Å; I85-W97 HydrophobicContact CG2-CZ2 4.13Å; I85-W97 PolarHBondContact O-NE1 3Å; I85-I99 HydrophobicContact CG2-CD1 3.88Å; I85-L110 HydrophobicContact CD1-CD2 3.84Å; I85-L110 HydrophobicContact CG2-CD1 3.76Å; I85-Y123 HydrophobicContact CD1-CD1 3.74Å; I85-Y123 HydrophobicContact CD1-CE1 3.77Å | ||
| 86 | N | 93.7 | Very high | 87.5 | Confident | 4 Ų | 4 | 81.4 Ų | 81.4 | 2% | 0.021 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 157.8 | -171.2 | 70.1 | -52.8 | 0 | 0 | 0 | 112.9 | I69 F70 W71 G88 M90 I99 | I69-N86 PolarHBondContact O-ND2 2.96Å; F70-N86 WeakPolarHBondContact CA-OD1 2.95Å; F70-N86 WeakPolarHBondContact CB-OD1 3.29Å; W71-N86 PolarHBondContact N-OD1 3.46Å; N86-G88 PolarHBondContact ND2-O 3.46Å; N86-M90 CarbonylContact C-O 3.58Å; N86-M90 VanDerWaalsContact CA-O 3.22Å; N86-M90 WeakPolarHBondContact CA-O 3.49Å; N86-M90 WeakPolarHBondContact CB-O 3.37Å; N86-I99 HydrophobicContact CB-CB 4.47Å; N86-I99 HydrophobicContact CB-CD1 3.82Å; N86-I99 HydrophobicContact CB-CG1 3.68Å; N86-I99 HydrophobicContact CB-CG2 4.17Å |
| 87 | D | 87.8 | Confident | 87.8 | Confident | 104 Ų | 104 | 77.6 Ų | 77.6 | 56% | 0.556 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 104.3 | 164.4 | -171 | 5 | 0 | 0 | 0 | 107.9 | L89 M90 R92 | D87-L89 PolarHBondContact O-N 2.97Å; D87-M90 PolarHBondContact N-O 3.45Å; D87-M90 PolarHBondContact O-N 2.9Å; D87-M90 VanDerWaalsContact O-N 3.13Å; D87-R92 HydrophobicContact CB-CG 4.43Å |
| 88 | G | 84.9 | Confident | 88.3 | Confident | 44 Ų | 44 | 79 Ų | 79 | 45% | 0.454 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | -128.3 | -166.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | N86 M90 | N86-G88 PolarHBondContact ND2-O 3.46Å; G88-M90 VanDerWaalsContact C-N 3.32Å |
| 89 | L | 85.7 | Confident | 89.1 | Confident | 88 Ų | 88 | 77.2 Ų | 77.2 | 46% | 0.461 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 13.7 | 176.7 | -67.3 | 176.8 | 0 | 0 | 0 | 113.4 | D87 Q101 V108 | D87-L89 PolarHBondContact O-N 2.97Å; L89-Q101 HydrophobicContact CD1-CB 4.4Å; L89-V108 HydrophobicContact CD2-CG1 4.38Å; L89-V108 HydrophobicContact CD2-CG2 4.05Å |
| 90 | M | 88.1 | Confident | 89.7 | Confident | 138 Ų | 138 | 71.2 Ų | 71.2 | 68% | 0.68 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 137 | 177.3 | -63.5 | -173.5 | 69.6 | 0 | 0 | 111 | N86 D87 G88 | N86-M90 CarbonylContact C-O 3.58Å; N86-M90 VanDerWaalsContact CA-O 3.22Å; N86-M90 WeakPolarHBondContact CA-O 3.49Å; N86-M90 WeakPolarHBondContact CB-O 3.37Å; D87-M90 PolarHBondContact N-O 3.45Å; D87-M90 PolarHBondContact O-N 2.9Å; D87-M90 VanDerWaalsContact O-N 3.13Å; G88-M90 VanDerWaalsContact C-N 3.32Å |
| 91 | S | 93 | Very high | 90.2 | Very high | 21 Ų | 21 | 72 Ų | 72 | 15% | 0.147 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 136.2 | 169.9 | 177.5 | 0 | 0 | 0 | 0 | 110.4 | D93 M94 W97 | S91-D93 VanDerWaalsContact C-N 3.27Å; S91-D93 PolarHBondContact OG-N 3.1Å; S91-D93 VanDerWaalsContact OG-N 3.12Å; S91-D93 PolarHBondContact OG-O 3.48Å; S91-M94 PolarHBondContact OG-N 3Å; S91-W97 VanDerWaalsContact CB-O 3.24Å; S91-W97 WeakPolarHBondContact CB-O 3.08Å; S91-W97 PolarHBondContact OG-NE1 2.02Å; S91-W97 PolarHBondContact OG-O 2.88Å |
| 92 | R | 92.9 | Very high | 90.1 | Very high | 162 Ų | 162 | 66.3 Ų | 66.3 | 61% | 0.611 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -77.1 | -18.2 | 171.3 | -65.8 | 176.2 | 67.1 | 93.9 | 2.9 | 112.3 | V84 I85 D87 | V84-R92 WeakPolarHBondContact O-CD 3.44Å; I85-R92 WeakPolarHBondContact O-CB 3.28Å; I85-R92 PolarHBondContact O-N 2.93Å; D87-R92 HydrophobicContact CB-CG 4.43Å |
| 93 | D | 91.8 | Very high | 89.5 | Confident | 48 Ų | 48 | 69 Ų | 69 | 26% | 0.257 | 36% | 0.361 | S | S | . | . | trans | -141.9 | 88.5 | 177.4 | -176 | -4.7 | 0 | 0 | 0 | 109.7 | S91 S95 R96 W97 | S91-D93 VanDerWaalsContact C-N 3.27Å; S91-D93 PolarHBondContact OG-N 3.1Å; S91-D93 VanDerWaalsContact OG-N 3.12Å; S91-D93 PolarHBondContact OG-O 3.48Å; D93-S95 PolarHBondContact O-N 2.86Å; D93-S95 VanDerWaalsContact O-N 3.12Å; D93-S95 WeakPolarHBondContact OD1-CB 3.45Å; D93-S95 PolarHBondContact OD1-N 3.38Å; D93-S95 VanDerWaalsContact OD1-N 3.11Å; D93-S95 PolarHBondContact OD1-OG 3.29Å; D93-R96 PolarHBondContact O-N 3.43Å; D93-R96 WeakPolarHBondContact OD2-CG 3.1Å; D93-R96 IonicContact OD2-CZ 3.3Å; D93-R96 IonicContact OD2-NE 3.8Å; D93-R96 PolarHBondContact OD2-NE 3.16Å; D93-R96 IonicContact OD2-NH2 2.68Å; D93-W97 HydrophobicContact CB-CZ2 4.39Å; D93-W97 PolarHBondContact O-N 3.47Å | ||
| 94 | M | 88.8 | Confident | 89 | Confident | 156 Ų | 156 | 71.9 Ų | 71.9 | 77% | 0.768 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -9.7 | -178.1 | -57.8 | -172.7 | -49.1 | 0 | 0 | 113.3 | S91 | S91-M94 PolarHBondContact OG-N 3Š|
| 95 | S | 90.3 | Very high | 88.3 | Confident | 106 Ų | 106 | 77 Ų | 77 | 74% | 0.741 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -25.5 | 177.7 | 74.7 | 0 | 0 | 0 | 0 | 112.8 | D93 | D93-S95 PolarHBondContact O-N 2.86Å; D93-S95 VanDerWaalsContact O-N 3.12Å; D93-S95 WeakPolarHBondContact OD1-CB 3.45Å; D93-S95 PolarHBondContact OD1-N 3.38Å; D93-S95 VanDerWaalsContact OD1-N 3.11Å; D93-S95 PolarHBondContact OD1-OG 3.29Å |
| 96 | R | 91.4 | Very high | 87.9 | Confident | 68 Ų | 68 | 79.9 Ų | 79.9 | 26% | 0.257 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -35.3 | -175.9 | -70.7 | -162 | -68 | 161.3 | 3 | 113.4 | E83 D93 Y119 | E83-R96 IonicContact OE1-NH1 2.78Å; E83-R96 IonicContact OE1-NH2 2.76Å; E83-R96 IonicContact OE2-CZ 2.7Å; E83-R96 IonicContact OE2-NH1 3.26Å; E83-R96 PolarHBondContact OE2-NH1 3.46Å; E83-R96 IonicContact OE2-NH2 3.33Å; E83-R96 PolarHBondContact OE2-NH2 2.92Å; D93-R96 PolarHBondContact O-N 3.43Å; D93-R96 WeakPolarHBondContact OD2-CG 3.1Å; D93-R96 IonicContact OD2-CZ 3.3Å; D93-R96 IonicContact OD2-NE 3.8Å; D93-R96 PolarHBondContact OD2-NE 3.16Å; D93-R96 IonicContact OD2-NH2 2.68Å; R96-Y119 WeakPolarHBondContact CA-OH 3.21Å; R96-Y119 HydrophobicContact CB-CE1 4.04Å; R96-Y119 HydrophobicContact CG-CE1 4.46Å; R96-Y119 PolarHBondContact O-OH 2.77Å |
| 97 | W | 91.3 | Very high | 87.5 | Confident | 4 Ų | 4 | 80 Ų | 80 | 2% | 0.015 | 41% | 0.41 | C | S | . | . | trans | -155.5 | 153.4 | -176.2 | 42.1 | 73.2 | 0 | 0 | 0 | 113.6 | E83 I85 S91 D93 L110 E111 Y119 | E83-W97 WeakPolarHBondContact OE2-CH2 3.48Å; I85-W97 HydrophobicContact CB-CZ2 4.31Å; I85-W97 HydrophobicContact CG1-CH2 4.43Å; I85-W97 HydrophobicContact CG1-CZ2 4.05Å; I85-W97 HydrophobicContact CG2-CD2 3.98Å; I85-W97 HydrophobicContact CG2-CG 3.89Å; I85-W97 HydrophobicContact CG2-CZ2 4.13Å; I85-W97 PolarHBondContact O-NE1 3Å; S91-W97 VanDerWaalsContact CB-O 3.24Å; S91-W97 WeakPolarHBondContact CB-O 3.08Å; S91-W97 PolarHBondContact OG-NE1 2.02Å; S91-W97 PolarHBondContact OG-O 2.88Å; D93-W97 HydrophobicContact CB-CZ2 4.39Å; D93-W97 PolarHBondContact O-N 3.47Å; W97-L110 HydrophobicContact CB-CD1 3.58Å; W97-L110 HydrophobicContact CG-CD1 3.92Å; W97-E111 VanDerWaalsContact CA-O 3.3Å; W97-E111 WeakPolarHBondContact CA-O 3.44Å; W97-E111 WeakPolarHBondContact CB-O 3.35Å; W97-Y119 HydrophobicContact CE3-CD1 4.4Å; W97-Y119 AromaticContact CE3-CE1 3.94Å; W97-Y119 HydrophobicContact CE3-CE1 3.94Å; W97-Y119 HydrophobicContact CZ3-CD1 4.34Å; W97-Y119 HydrophobicContact CZ3-CE1 4.07Å | ||
| 98 | E | 92.5 | Very high | 87.6 | Confident | 102 Ų | 102 | 75.4 Ų | 75.4 | 48% | 0.477 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 144.3 | 173.4 | -63.2 | 177.7 | -178.4 | 0 | 0 | 109.8 | E111 | E98-E111 HydrophobicContact CB-CB 4.32Å; E98-E111 PolarHBondContact N-O 2.81Å; E98-E111 PolarHBondContact O-N 2.91Å |
| 99 | I | 93.5 | Very high | 87.9 | Confident | 23 Ų | 23 | 76.2 Ų | 76.2 | 12% | 0.118 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 133 | 176.8 | -59.6 | -68.6 | 0 | 0 | 0 | 107.6 | I85 N86 V108 R109 L110 | I85-I99 HydrophobicContact CG2-CD1 3.88Å; N86-I99 HydrophobicContact CB-CB 4.47Å; N86-I99 HydrophobicContact CB-CD1 3.82Å; N86-I99 HydrophobicContact CB-CG1 3.68Å; N86-I99 HydrophobicContact CB-CG2 4.17Å; I99-V108 HydrophobicContact CG2-CG1 3.79Å; I99-R109 WeakPolarHBondContact CA-O 3.4Å; I99-L110 HydrophobicContact CD1-CB 4.35Å; I99-L110 HydrophobicContact CD1-CD1 3.73Å |
| 100 | G | 89.4 | Confident | 88.1 | Confident | 20 Ų | 20 | 72 Ų | 72 | 21% | 0.206 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 170.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R109 | G100-R109 PolarHBondContact N-O 2.99Å; G100-R109 PolarHBondContact O-N 2.81Å |
| 101 | Q | 89 | Confident | 88.3 | Confident | 120 Ų | 120 | 66.4 Ų | 66.4 | 56% | 0.561 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 133.9 | 167.8 | -169.3 | 153.7 | 18.1 | 0 | 0 | 109.1 | L89 Q105 | L89-Q101 HydrophobicContact CD1-CB 4.4Å; Q101-Q105 PolarHBondContact NE2-O 3.02Å; Q101-Q105 VanDerWaalsContact NE2-O 3.09Å |
| 102 | G | 82.5 | Confident | 88.3 | Confident | 12 Ų | 12 | 65.5 Ų | 65.5 | 12% | 0.124 | 32% | 0.319 | C | S | . | . | trans | -75.4 | -174.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q104 S107 | G102-Q104 VanDerWaalsContact C-N 3.31Å; G102-Q104 PolarHBondContact O-N 2.91Å; G102-S107 WeakPolarHBondContact CA-OG 3.45Å; G102-S107 PolarHBondContact N-O 2.89Å; G102-S107 PolarHBondContact N-OG 3.48Å; G102-S107 PolarHBondContact O-OG 2.77Å | ||
| 103 | K | 75.9 | Confident | 88 | Confident | 121 Ų | 121 | 62.3 Ų | 62.3 | 53% | 0.526 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -72.1 | -22.1 | -178.3 | -69.1 | 176 | -178.8 | 147.3 | 0 | 114.3 | E27 S107 | E27-K103 VanDerWaalsContact CD-NZ 3.27Å; E27-K103 WeakPolarHBondContact OE1-CE 3.41Å; E27-K103 IonicContact OE1-NZ 2.7Å; E27-K103 PolarHBondContact OE1-NZ 2.88Å; E27-K103 IonicContact OE2-NZ 2.66Å; E27-K103 PolarHBondContact OE2-NZ 3.11Å; E27-K103 VanDerWaalsContact OE2-NZ 3.16Å; K103-S107 PolarHBondContact N-OG 2.88Å |
| 104 | Q | 80 | Confident | 88 | Confident | 110 Ų | 110 | 63.2 Ų | 63.2 | 51% | 0.514 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -95.1 | 155.3 | 178.4 | -62.3 | -64.3 | -21.3 | 0 | 0 | 110.1 | G102 D106 S107 | G102-Q104 VanDerWaalsContact C-N 3.31Å; G102-Q104 PolarHBondContact O-N 2.91Å; Q104-D106 VanDerWaalsContact C-N 3.32Å; Q104-D106 PolarHBondContact O-N 2.82Å; Q104-S107 PolarHBondContact N-OG 3.36Å; Q104-S107 PolarHBondContact O-N 2.71Å; Q104-S107 PolarHBondContact O-OG 3.06Å |
| 105 | Q | 78.4 | Confident | 88.2 | Confident | 165 Ų | 165 | 56 Ų | 56 | 77% | 0.771 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -50.2 | -178.5 | -177.4 | 171.3 | 6.1 | 0 | 0 | 111.9 | Q101 S107 | Q101-Q105 PolarHBondContact NE2-O 3.02Å; Q101-Q105 VanDerWaalsContact NE2-O 3.09Å; Q105-S107 PolarHBondContact O-N 2.97Å |
| 106 | D | 84.8 | Confident | 88.4 | Confident | 62 Ų | 62 | 54.1 Ų | 54.1 | 33% | 0.332 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | 63.3 | -179.7 | -61.6 | -35.4 | 0 | 0 | 0 | 110.4 | V60 M63 Q104 | V60-D106 PolarHBondContact N-O 2.87Å; V60-D106 WeakPolarHBondContact O-CB 3.4Å; M63-D106 HydrophobicContact CB-CB 4.02Å; M63-D106 HydrophobicContact SD-CB 3.85Å; Q104-D106 VanDerWaalsContact C-N 3.32Å; Q104-D106 PolarHBondContact O-N 2.82Å |
| 107 | S | 85.8 | Confident | 88.3 | Confident | 5 Ų | 5 | 55.2 Ų | 55.2 | 4% | 0.035 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 145.2 | 179.1 | 66.9 | 0 | 0 | 0 | 0 | 114.6 | C58 N59 G102 K103 Q104 Q105 | C58-S107 CarbonylContact O-C 3.59Å; C58-S107 WeakPolarHBondContact O-CA 3.22Å; C58-S107 WeakPolarHBondContact O-CB 2.97Å; N59-S107 WeakPolarHBondContact OD1-CB 3.46Å; G102-S107 WeakPolarHBondContact CA-OG 3.45Å; G102-S107 PolarHBondContact N-O 2.89Å; G102-S107 PolarHBondContact N-OG 3.48Å; G102-S107 PolarHBondContact O-OG 2.77Å; K103-S107 PolarHBondContact N-OG 2.88Å; Q104-S107 PolarHBondContact N-OG 3.36Å; Q104-S107 PolarHBondContact O-N 2.71Å; Q104-S107 PolarHBondContact O-OG 3.06Å; Q105-S107 PolarHBondContact O-N 2.97Å |
| 108 | V | 90.4 | Very high | 88.3 | Confident | 9 Ų | 9 | 58.6 Ų | 58.6 | 6% | 0.055 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 131.1 | 178.1 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | C58 I69 L89 I99 | C58-V108 PolarHBondContact N-O 2.88Å; C58-V108 PolarHBondContact O-N 3.19Å; I69-V108 HydrophobicContact CB-CG2 3.75Å; I69-V108 HydrophobicContact CD1-CG2 3.99Å; I69-V108 HydrophobicContact CG1-CG2 4.45Å; I69-V108 HydrophobicContact CG2-CB 4.04Å; I69-V108 HydrophobicContact CG2-CG2 3.78Å; L89-V108 HydrophobicContact CD2-CG1 4.38Å; L89-V108 HydrophobicContact CD2-CG2 4.05Å; I99-V108 HydrophobicContact CG2-CG1 3.79Å |
| 109 | R | 89.7 | Confident | 88.3 | Confident | 61 Ų | 61 | 54.7 Ų | 54.7 | 23% | 0.23 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 129.3 | -178.2 | -176.9 | 178.8 | 178.5 | -148.6 | -14.6 | 109.7 | I55 I99 G100 E111 | I55-R109 HydrophobicContact CG2-CG 3.68Å; I99-R109 WeakPolarHBondContact CA-O 3.4Å; G100-R109 PolarHBondContact N-O 2.99Å; G100-R109 PolarHBondContact O-N 2.81Å; R109-E111 WeakPolarHBondContact CD-OE1 3.45Å; R109-E111 HydrophobicContact CG-CG 3.96Å; R109-E111 IonicContact CZ-OE1 2.9Å; R109-E111 IonicContact CZ-OE2 3.92Å; R109-E111 IonicContact NE-OE1 3.41Å; R109-E111 PolarHBondContact NE-OE1 3.47Å; R109-E111 VanDerWaalsContact NE-OE1 3.11Å; R109-E111 IonicContact NE-OE2 2.74Å; R109-E111 IonicContact NH1-OE1 2.65Å; R109-E111 PolarHBondContact NH1-OE1 3.03Å; R109-E111 IonicContact NH1-OE2 3.16Å; R109-E111 IonicContact NH2-OE1 3.11Å; R109-E111 PolarHBondContact NH2-OE1 2.72Å; R109-E111 IonicContact NH2-OE2 3.99Å; R109-E111 PolarHBondContact NH2-OE2 2.76Å |
| 110 | L | 91.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 125.2 | 172 | 170.4 | 60.5 | 0 | 0 | 0 | 108.8 | I55 I56 W71 I85 W97 I99 Y123 | I55-L110 CarbonylContact C-O 3.54Å; I55-L110 WeakPolarHBondContact CA-O 3.39Å; I56-L110 HydrophobicContact CB-CB 4.47Å; I56-L110 HydrophobicContact CD1-CD2 4.46Å; I56-L110 PolarHBondContact N-O 3.2Å; I56-L110 PolarHBondContact O-N 2.91Å; W71-L110 HydrophobicContact CD2-CB 4.4Å; W71-L110 HydrophobicContact CD2-CD2 4.31Å; W71-L110 HydrophobicContact CG-CB 4.42Å; W71-L110 HydrophobicContact CG-CD2 4.4Å; W71-L110 HydrophobicContact CZ2-CB 4.48Å; I85-L110 HydrophobicContact CD1-CD2 3.84Å; I85-L110 HydrophobicContact CG2-CD1 3.76Å; W97-L110 HydrophobicContact CB-CD1 3.58Å; W97-L110 HydrophobicContact CG-CD1 3.92Å; I99-L110 HydrophobicContact CD1-CB 4.35Å; I99-L110 HydrophobicContact CD1-CD1 3.73Å; L110-Y123 HydrophobicContact CD2-CD1 3.58Å; L110-Y123 HydrophobicContact CD2-CE1 3.84Å |
| 111 | E | 91.1 | Very high | 88.4 | Confident | 20 Ų | 20 | 54.4 Ų | 54.4 | 9% | 0.093 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 122.8 | 179.1 | -50.6 | -169.1 | -149.1 | 0 | 0 | 110.6 | K53 I55 W97 E98 R109 | K53-E111 WeakPolarHBondContact CE-OE2 3.45Å; K53-E111 IonicContact NZ-OE2 2.78Å; K53-E111 PolarHBondContact NZ-OE2 3.31Å; I55-E111 HydrophobicContact CG1-CB 4.5Å; I55-E111 HydrophobicContact CG1-CG 4.14Å; I55-E111 HydrophobicContact CG2-CG 4.48Å; W97-E111 VanDerWaalsContact CA-O 3.3Å; W97-E111 WeakPolarHBondContact CA-O 3.44Å; W97-E111 WeakPolarHBondContact CB-O 3.35Å; E98-E111 HydrophobicContact CB-CB 4.32Å; E98-E111 PolarHBondContact N-O 2.81Å; E98-E111 PolarHBondContact O-N 2.91Å; R109-E111 WeakPolarHBondContact CD-OE1 3.45Å; R109-E111 HydrophobicContact CG-CG 3.96Å; R109-E111 IonicContact CZ-OE1 2.9Å; R109-E111 IonicContact CZ-OE2 3.92Å; R109-E111 IonicContact NE-OE1 3.41Å; R109-E111 PolarHBondContact NE-OE1 3.47Å; R109-E111 VanDerWaalsContact NE-OE1 3.11Å; R109-E111 IonicContact NE-OE2 2.74Å; R109-E111 IonicContact NH1-OE1 2.65Å; R109-E111 PolarHBondContact NH1-OE1 3.03Å; R109-E111 IonicContact NH1-OE2 3.16Å; R109-E111 IonicContact NH2-OE1 3.11Å; R109-E111 PolarHBondContact NH2-OE1 2.72Å; R109-E111 IonicContact NH2-OE2 3.99Å; R109-E111 PolarHBondContact NH2-OE2 2.76Å |
| 112 | I | 92.5 | Very high | 88.5 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 113.1 | 170.8 | -54.9 | 169.1 | 0 | 0 | 0 | 106.6 | K53 V54 L115 Y119 Y123 L142 | K53-I112 CarbonylContact C-O 3.53Å; K53-I112 VanDerWaalsContact CA-O 3.27Å; K53-I112 WeakPolarHBondContact CA-O 3.48Å; K53-I112 WeakPolarHBondContact CG-O 3.44Å; V54-I112 PolarHBondContact N-O 3.3Å; V54-I112 PolarHBondContact O-N 3.48Å; I112-L115 HydrophobicContact CB-CD2 4.31Å; I112-L115 HydrophobicContact CD1-CD2 4.16Å; I112-L115 HydrophobicContact CG2-CD2 3.83Å; I112-L115 HydrophobicContact CG2-CG 4.48Å; I112-Y119 HydrophobicContact CD1-CD1 4.07Å; I112-Y119 HydrophobicContact CG2-CD1 4.01Å; I112-Y119 HydrophobicContact CG2-CD2 4.42Å; I112-Y119 HydrophobicContact CG2-CE1 3.93Å; I112-Y119 HydrophobicContact CG2-CE2 4.33Å; I112-Y119 HydrophobicContact CG2-CG 4.25Å; I112-Y123 HydrophobicContact CD1-CE1 4.36Å; I112-L142 HydrophobicContact CD1-CD2 3.98Å |
| 113 | M | 87.3 | Confident | 88.9 | Confident | 96 Ų | 96 | 51.4 Ų | 51.4 | 47% | 0.473 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -75.7 | -30.7 | -169.2 | -68.6 | -60.5 | -72.2 | 0 | 0 | 113.5 | K53 | K53-M113 HydrophobicContact CD-CE 4.42Å; K53-M113 HydrophobicContact CD-SD 3.82Å; K53-M113 VanDerWaalsContact CE-SD 3.5Å; K53-M113 HydrophobicContact CG-SD 4.38Å; K53-M113 PolarHBondContact NZ-SD 3.16Å; K53-M113 VanDerWaalsContact NZ-SD 3.39Å |
| 114 | S | 92.1 | Very high | 89.6 | Confident | 67 Ų | 67 | 46.1 Ų | 46.1 | 47% | 0.469 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -149 | 111.8 | 177.8 | -162.4 | 0 | 0 | 0 | 0 | 109.8 | G51 | G51-S114 WeakPolarHBondContact CA-OG 3.34Å; G51-S114 PolarHBondContact O-OG 3.08Å |
| 115 | L | 92.8 | Very high | 90.1 | Very high | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | trans | -72.6 | 143.9 | -179.6 | -73.6 | 174.8 | 0 | 0 | 0 | 112.6 | V50 G51 E52 V54 I112 Y119 L142 V144 | V50-L115 CarbonylContact C-O 3.57Å; V50-L115 WeakPolarHBondContact CA-O 3.47Å; G51-L115 PolarHBondContact N-O 3.09Å; E52-L115 WeakPolarHBondContact O-CG 3.11Å; E52-L115 PolarHBondContact O-N 3.48Å; V54-L115 HydrophobicContact CB-CD1 4.21Å; V54-L115 HydrophobicContact CB-CG 4.5Å; V54-L115 HydrophobicContact CG2-CD1 3.43Å; V54-L115 VanDerWaalsContact CG2-CD1 3.43Å; V54-L115 HydrophobicContact CG2-CG 4.19Å; I112-L115 HydrophobicContact CB-CD2 4.31Å; I112-L115 HydrophobicContact CD1-CD2 4.16Å; I112-L115 HydrophobicContact CG2-CD2 3.83Å; I112-L115 HydrophobicContact CG2-CG 4.48Å; L115-Y119 HydrophobicContact CD2-CG 4.33Å; L115-L142 HydrophobicContact CD2-CD2 3.88Å; L115-V144 HydrophobicContact CB-CG1 4.39Å; L115-V144 HydrophobicContact CD1-CG2 4.46Å; L115-V144 HydrophobicContact CD2-CG2 4.32Å | ||
| 116 | D | 93.4 | Very high | 90.5 | Very high | 67 Ų | 67 | 33.4 Ų | 33.4 | 36% | 0.358 | 17% | 0.173 | S | C | . | . | trans | -134.5 | 177.7 | 160.7 | 68.5 | 48.3 | 0 | 0 | 0 | 109.1 | S118 Y119 | D116-S118 PolarHBondContact O-N 2.82Å; D116-S118 WeakPolarHBondContact OD1-CA 2.78Å; D116-S118 WeakPolarHBondContact OD1-CB 3.28Å; D116-S118 PolarHBondContact OD1-N 3.15Å; D116-S118 PolarHBondContact OD1-OG 2.77Å; D116-Y119 HydrophobicContact CB-CD2 4.45Å; D116-Y119 PolarHBondContact O-N 2.8Å; D116-Y119 WeakPolarHBondContact OD1-CD2 3.05Å; D116-Y119 WeakPolarHBondContact OD2-CE2 3.11Å | ||
| 117 | K | 91 | Very high | 90.6 | Very high | 91 Ų | 91 | 30.4 Ų | 30.4 | 40% | 0.396 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -63.6 | -25.2 | -175 | -170.7 | 55.4 | 165.9 | -179.6 | 0 | 113.8 | Y119 E120 V144 I176 | K117-Y119 PolarHBondContact O-N 3.37Å; K117-E120 HydrophobicContact CD-CG 4.12Å; K117-E120 WeakPolarHBondContact CE-OE2 3.35Å; K117-E120 IonicContact NZ-OE1 2.68Å; K117-E120 PolarHBondContact NZ-OE1 2.92Å; K117-E120 IonicContact NZ-OE2 3.78Å; K117-E120 PolarHBondContact NZ-OE2 2.82Å; K117-E120 PolarHBondContact O-N 3.2Å; K117-V144 PolarHBondContact NZ-O 2.82Å; K117-I176 HydrophobicContact CD-CD1 3.88Å; K117-I176 HydrophobicContact CG-CD1 4.33Å |
| 118 | S | 90.2 | Very high | 90.3 | Very high | 76 Ų | 76 | 33.6 Ų | 33.6 | 53% | 0.531 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -70.1 | -20.3 | -177.9 | 75.4 | 0 | 0 | 0 | 0 | 113.3 | R73 D116 E120 | R73-S118 PolarHBondContact NH1-O 3.38Å; D116-S118 PolarHBondContact O-N 2.82Å; D116-S118 WeakPolarHBondContact OD1-CA 2.78Å; D116-S118 WeakPolarHBondContact OD1-CB 3.28Å; D116-S118 PolarHBondContact OD1-N 3.15Å; D116-S118 PolarHBondContact OD1-OG 2.77Å; S118-E120 PolarHBondContact O-N 2.82Å |
| 119 | Y | 92 | Very high | 89.7 | Confident | 20 Ų | 20 | 35 Ų | 35 | 8% | 0.078 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -77.5 | -3.8 | 175.8 | -66.7 | -80.2 | 0 | 0 | 0 | 113.6 | R96 W97 I112 L115 D116 K117 G121 Y123 | R96-Y119 WeakPolarHBondContact CA-OH 3.21Å; R96-Y119 HydrophobicContact CB-CE1 4.04Å; R96-Y119 HydrophobicContact CG-CE1 4.46Å; R96-Y119 PolarHBondContact O-OH 2.77Å; W97-Y119 HydrophobicContact CE3-CD1 4.4Å; W97-Y119 AromaticContact CE3-CE1 3.94Å; W97-Y119 HydrophobicContact CE3-CE1 3.94Å; W97-Y119 HydrophobicContact CZ3-CD1 4.34Å; W97-Y119 HydrophobicContact CZ3-CE1 4.07Å; I112-Y119 HydrophobicContact CD1-CD1 4.07Å; I112-Y119 HydrophobicContact CG2-CD1 4.01Å; I112-Y119 HydrophobicContact CG2-CD2 4.42Å; I112-Y119 HydrophobicContact CG2-CE1 3.93Å; I112-Y119 HydrophobicContact CG2-CE2 4.33Å; I112-Y119 HydrophobicContact CG2-CG 4.25Å; L115-Y119 HydrophobicContact CD2-CG 4.33Å; D116-Y119 HydrophobicContact CB-CD2 4.45Å; D116-Y119 PolarHBondContact O-N 2.8Å; D116-Y119 WeakPolarHBondContact OD1-CD2 3.05Å; D116-Y119 WeakPolarHBondContact OD2-CE2 3.11Å; K117-Y119 PolarHBondContact O-N 3.37Å; Y119-G121 PolarHBondContact O-N 2.78Å; Y119-Y123 WeakPolarHBondContact O-CE2 3.49Å; Y119-Y123 PolarHBondContact O-OH 3.35Å |
| 120 | E | 92.2 | Very high | 88.9 | Confident | 36 Ų | 36 | 38.4 Ų | 38.4 | 17% | 0.168 | 20% | 0.204 | C | C | . | . | trans | -60.5 | 132.3 | 171.9 | -75 | -164.9 | 153.5 | 0 | 0 | 111.3 | L76 K117 S118 L142 V144 | L76-E120 HydrophobicContact CD1-CB 4.3Å; K117-E120 HydrophobicContact CD-CG 4.12Å; K117-E120 WeakPolarHBondContact CE-OE2 3.35Å; K117-E120 IonicContact NZ-OE1 2.68Å; K117-E120 PolarHBondContact NZ-OE1 2.92Å; K117-E120 IonicContact NZ-OE2 3.78Å; K117-E120 PolarHBondContact NZ-OE2 2.82Å; K117-E120 PolarHBondContact O-N 3.2Å; S118-E120 PolarHBondContact O-N 2.82Å; E120-L142 WeakPolarHBondContact CA-O 3.33Å; E120-V144 HydrophobicContact CG-CB 3.83Å; E120-V144 HydrophobicContact CG-CG2 3.76Å; E120-V144 PolarHBondContact OE1-N 2.93Å | ||
| 121 | G | 92.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.1 | 168.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | D74 Y119 I141 L142 | D74-G121 CarbonylContact O-C 3.59Å; D74-G121 WeakPolarHBondContact O-CA 3.35Å; Y119-G121 PolarHBondContact O-N 2.78Å; G121-I141 WeakPolarHBondContact O-CA 3.49Å; G121-L142 PolarHBondContact N-O 3.12Å; G121-L142 PolarHBondContact O-N 3.03Å |
| 122 | K | 91.7 | Very high | 86.6 | Confident | 70 Ų | 70 | 42.1 Ų | 42.1 | 30% | 0.304 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 110.4 | 167.6 | -179.6 | -171 | 175.4 | -166.3 | 0 | 108.5 | R73 D74 H139 R140 | R73-K122 WeakPolarHBondContact CA-O 3.32Å; D74-K122 HydrophobicContact CB-CB 4.27Å; D74-K122 PolarHBondContact N-O 3.38Å; D74-K122 PolarHBondContact O-N 2.68Å; K122-H139 HydrophobicContact CD-CB 4.41Å; K122-H139 WeakPolarHBondContact CE-CD2 3.44Å; K122-H139 HydrophobicContact CG-CB 3.9Å; K122-R140 CarbonylContact C-O 3.58Å; K122-R140 WeakPolarHBondContact CA-O 3.16Å |
| 123 | Y | 91.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 110.6 | 175.8 | -70.7 | -99.2 | 0 | 0 | 0 | 108.8 | I56 R72 R73 I85 L110 I112 Y119 H139 R140 L142 | I56-Y123 HydrophobicContact CD1-CD1 4.44Å; I56-Y123 HydrophobicContact CD1-CG 4.15Å; R72-Y123 CarbonylContact O-C 3.56Å; R72-Y123 WeakPolarHBondContact O-CA 3.44Å; R73-Y123 HydrophobicContact CB-CD1 4.35Å; R73-Y123 HydrophobicContact CB-CE1 4.17Å; R73-Y123 WeakPolarHBondContact CD-OH 3.11Å; R73-Y123 HydrophobicContact CG-CD1 4.36Å; R73-Y123 HydrophobicContact CG-CE1 3.91Å; R73-Y123 HydrophobicContact CG-CE2 4.13Å; I85-Y123 HydrophobicContact CD1-CD1 3.74Å; I85-Y123 HydrophobicContact CD1-CE1 3.77Å; L110-Y123 HydrophobicContact CD2-CD1 3.58Å; L110-Y123 HydrophobicContact CD2-CE1 3.84Å; I112-Y123 HydrophobicContact CD1-CE1 4.36Å; Y119-Y123 WeakPolarHBondContact O-CE2 3.49Å; Y119-Y123 PolarHBondContact O-OH 3.35Å; Y123-H139 CarbonylContact O-C 3.55Å; Y123-H139 WeakPolarHBondContact O-CA 3.49Å; Y123-H139 WeakPolarHBondContact O-CB 3.14Å; Y123-R140 PolarHBondContact N-O 2.84Å; Y123-R140 PolarHBondContact O-N 2.85Å; Y123-L142 HydrophobicContact CD2-CB 3.89Å; Y123-L142 HydrophobicContact CD2-CD2 4.49Å; Y123-L142 HydrophobicContact CE2-CB 3.76Å; Y123-L142 HydrophobicContact CE2-CD2 3.79Å; Y123-L142 HydrophobicContact CE2-CG 4.42Å |
| 124 | T | 90.7 | Very high | 84.8 | Confident | 9 Ų | 9 | 50.9 Ų | 50.9 | 6% | 0.055 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 120.7 | -178.8 | -56.4 | 0 | 0 | 0 | 0 | 109.2 | W71 R72 R137 V138 H139 | W71-T124 CarbonylContact C-O 3.59Å; W71-T124 WeakPolarHBondContact CA-O 3.49Å; R72-T124 PolarHBondContact N-O 3.06Å; R72-T124 PolarHBondContact O-N 3.14Å; T124-R137 HydrophobicContact CG2-CB 4.12Å; T124-R137 HydrophobicContact CG2-CG 4.22Å; T124-V138 CarbonylContact C-O 3.51Å; T124-V138 WeakPolarHBondContact CA-O 3.24Å; T124-H139 HydrophobicContact CG2-CB 4.33Å; T124-H139 WeakPolarHBondContact OG1-CB 3.38Å |
| 125 | C | 89.5 | Confident | 84.2 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 131.2 | 164.6 | -176.4 | 0 | 0 | 0 | 0 | 109.1 | V22 I24 C58 I69 W71 R137 V138 | V22-C125 HydrophobicContact CG1-CB 4.25Å; I24-C125 HydrophobicContact CD1-CB 3.97Å; I24-C125 HydrophobicContact CG1-CB 4.13Å; C58-C125 HydrophobicContact CB-CB 3.55Å; C58-C125 WeakPolarHBondContact CB-SG 3.2Å; C58-C125 WeakPolarHBondContact SG-CB 3.35Å; C58-C125 CovalentContact SG-SG 2Å; C58-C125 PolarHBondContact SG-SG 2.81Å; I69-C125 VanDerWaalsContact CG2-SG 3.54Å; W71-C125 HydrophobicContact CD2-CB 4.28Å; W71-C125 HydrophobicContact CE3-CB 3.94Å; W71-C125 HydrophobicContact CH2-CB 3.87Å; W71-C125 HydrophobicContact CZ2-CB 4.23Å; W71-C125 HydrophobicContact CZ3-CB 3.71Å; C125-R137 WeakPolarHBondContact O-CA 3.39Å; C125-V138 HydrophobicContact CB-CG1 4.3Å; C125-V138 PolarHBondContact N-O 2.84Å; C125-V138 PolarHBondContact O-N 3.37Å; C125-V138 VanDerWaalsContact O-N 3.07Å |
| 126 | E | 88 | Confident | 83.5 | Confident | 8 Ų | 8 | 49.3 Ų | 49.3 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 129.3 | -176 | -176 | 168.3 | 145.4 | 0 | 0 | 110.4 | I69 F70 R72 P135 A136 R137 | I69-E126 WeakPolarHBondContact CA-O 3.5Å; F70-E126 HydrophobicContact CD2-CB 3.87Å; F70-E126 HydrophobicContact CD2-CG 4.41Å; F70-E126 HydrophobicContact CE1-CG 4.25Å; F70-E126 HydrophobicContact CE2-CB 3.38Å; F70-E126 HydrophobicContact CE2-CG 3.47Å; F70-E126 VanDerWaalsContact CE2-CG 3.47Å; F70-E126 WeakPolarHBondContact CE2-OE1 3.43Å; F70-E126 HydrophobicContact CZ-CB 3.77Å; F70-E126 HydrophobicContact CZ-CG 3.39Å; F70-E126 WeakPolarHBondContact CZ-OE1 3.32Å; F70-E126 PolarHBondContact N-O 2.99Å; F70-E126 PolarHBondContact O-N 2.92Å; R72-E126 IonicContact CZ-OE1 3.62Å; R72-E126 IonicContact CZ-OE2 3.63Å; R72-E126 IonicContact NH1-OE1 3.81Å; R72-E126 PolarHBondContact NH1-OE1 3.42Å; R72-E126 IonicContact NH1-OE2 2.93Å; R72-E126 PolarHBondContact NH1-OE2 3.15Å; R72-E126 IonicContact NH2-OE1 3.91Å; E126-P135 VanDerWaalsContact CD-CG 3.48Å; E126-P135 HydrophobicContact CG-CB 3.61Å; E126-P135 HydrophobicContact CG-CG 3.69Å; E126-P135 WeakPolarHBondContact OE1-CG 3.26Å; E126-A136 WeakPolarHBondContact CA-O 3.3Å; E126-R137 HydrophobicContact CB-CG 3.91Å; E126-R137 HydrophobicContact CG-CG 3.61Å; E126-R137 WeakPolarHBondContact OE2-CD 3.39Å |
| 127 | C | 84.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 109 | 173.8 | -177.5 | 0 | 0 | 0 | 0 | 109.2 | V22 V60 R68 P135 A136 | V22-C127 HydrophobicContact CG2-CB 3.82Å; V60-C127 HydrophobicContact CG1-CB 4.22Å; V60-C127 HydrophobicContact CG2-CB 4.08Å; R68-C127 WeakPolarHBondContact O-CA 3.3Å; C127-P135 WeakPolarHBondContact O-CB 3.44Å; C127-A136 HydrophobicContact CB-CB 4.5Å; C127-A136 PolarHBondContact N-O 3.11Å; C127-A136 PolarHBondContact O-N 2.9Å |
| 128 | Q | 80.4 | Confident | 82.8 | Confident | 72 Ų | 72 | 48.4 Ų | 48.4 | 34% | 0.336 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 129.3 | 177.3 | -176.6 | 68.8 | 56.7 | 0 | 0 | 109.8 | A67 R68 F70 S132 P135 | A67-Q128 CarbonylContact C-O 3.59Å; A67-Q128 VanDerWaalsContact CA-O 3.31Å; A67-Q128 WeakPolarHBondContact CA-O 3.49Å; R68-Q128 PolarHBondContact N-O 2.72Å; R68-Q128 PolarHBondContact O-N 3.49Å; F70-Q128 HydrophobicContact CE1-CB 3.66Å; F70-Q128 HydrophobicContact CZ-CB 4.21Å; Q128-S132 PolarHBondContact NE2-OG 2.97Å; Q128-P135 HydrophobicContact CB-CB 4.47Å |
| 129 | Y | 78.8 | Confident | 82.7 | Confident | 38 Ų | 38 | 48.2 Ų | 48.2 | 15% | 0.149 | 27% | 0.266 | C | S | . | . | trans | -135.6 | 156 | 178.2 | 61.8 | -86.4 | 0 | 0 | 0 | 112.2 | P20 P64 G131 S132 | P20-Y129 HydrophobicContact CG-CD1 3.8Å; P20-Y129 HydrophobicContact CG-CE1 3.54Å; P64-Y129 HydrophobicContact CG-CD2 4.19Å; P64-Y129 HydrophobicContact CG-CG 4.03Å; Y129-G131 PolarHBondContact O-N 2.73Å; Y129-S132 VanDerWaalsContact CZ-CB 3.41Å; Y129-S132 PolarHBondContact N-OG 2.9Å; Y129-S132 PolarHBondContact O-N 2.99Å; Y129-S132 PolarHBondContact O-OG 2.91Å | ||
| 130 | T | 71.2 | Confident | 82.4 | Confident | 132 Ų | 132 | 47.8 Ų | 47.8 | 81% | 0.81 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 125.8 | -177.9 | -48 | 0 | 0 | 0 | 0 | 110.5 | ||
| 131 | G | 69.5 | Low | 82.2 | Confident | 79 Ų | 79 | 48.2 Ų | 48.2 | 81% | 0.814 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.2 | -4.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y129 | Y129-G131 PolarHBondContact O-N 2.73Š|
| 132 | S | 65.8 | Low | 82.1 | Confident | 20 Ų | 20 | 48.2 Ų | 48.2 | 14% | 0.14 | 27% | 0.267 | C | S | . | . | trans | -73.7 | 127.1 | 170.7 | 57.3 | 0 | 0 | 0 | 0 | 111.6 | Q128 Y129 | Q128-S132 PolarHBondContact NE2-OG 2.97Å; Y129-S132 VanDerWaalsContact CZ-CB 3.41Å; Y129-S132 PolarHBondContact N-OG 2.9Å; Y129-S132 PolarHBondContact O-N 2.99Å; Y129-S132 PolarHBondContact O-OG 2.91Å | ||
| 133 | V | 69.2 | Low | 82.1 | Confident | 145 Ų | 145 | 50.7 Ų | 50.7 | 88% | 0.879 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -74.6 | -43.7 | 169.2 | 179.7 | 0 | 0 | 0 | 0 | 109.8 | ||
| 134 | E | 72.4 | Confident | 82.1 | Confident | 136 Ų | 136 | 50.7 Ų | 50.7 | 64% | 0.636 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -121.2 | 131 | 171.8 | -67.5 | -162.8 | -173.9 | 0 | 0 | 110.4 | R137 | E134-R137 IonicContact OE2-NH2 3.26Å; E134-R137 PolarHBondContact OE2-NH2 2.7Å |
| 135 | P | 79.5 | Confident | 82.3 | Confident | 14 Ų | 14 | 51.9 Ų | 51.9 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | trans | -72.9 | 149.6 | 176.5 | 28.2 | -30.4 | 0 | 0 | 0 | 110.7 | E126 C127 Q128 R137 | E126-P135 VanDerWaalsContact CD-CG 3.48Å; E126-P135 HydrophobicContact CG-CB 3.61Å; E126-P135 HydrophobicContact CG-CG 3.69Å; E126-P135 WeakPolarHBondContact OE1-CG 3.26Å; C127-P135 WeakPolarHBondContact O-CB 3.44Å; Q128-P135 HydrophobicContact CB-CB 4.47Å; P135-R137 HydrophobicContact CG-CG 4.44Å; P135-R137 PolarHBondContact O-N 3.16Å | ||
| 136 | A | 77.8 | Confident | 82.6 | Confident | 22 Ų | 22 | 52.7 Ų | 52.7 | 18% | 0.182 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 126.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | P20 V22 E126 C127 | P20-A136 HydrophobicContact CG-CB 4.36Å; V22-A136 HydrophobicContact CG2-CB 3.58Å; E126-A136 WeakPolarHBondContact CA-O 3.3Å; C127-A136 HydrophobicContact CB-CB 4.5Å; C127-A136 PolarHBondContact N-O 3.11Å; C127-A136 PolarHBondContact O-N 2.9Å |
| 137 | R | 85.5 | Confident | 83 | Confident | 122 Ų | 122 | 58 Ų | 58 | 46% | 0.46 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 142.5 | -172.4 | -70.5 | 175.9 | -62.5 | -129 | -2.7 | 111.3 | T124 C125 E126 E134 P135 | T124-R137 HydrophobicContact CG2-CB 4.12Å; T124-R137 HydrophobicContact CG2-CG 4.22Å; C125-R137 WeakPolarHBondContact O-CA 3.39Å; E126-R137 HydrophobicContact CB-CG 3.91Å; E126-R137 HydrophobicContact CG-CG 3.61Å; E126-R137 WeakPolarHBondContact OE2-CD 3.39Å; E134-R137 IonicContact OE2-NH2 3.26Å; E134-R137 PolarHBondContact OE2-NH2 2.7Å; P135-R137 HydrophobicContact CG-CG 4.44Å; P135-R137 PolarHBondContact O-N 3.16Å |
| 138 | V | 85 | Confident | 83.6 | Confident | 17 Ų | 17 | 58.4 Ų | 58.4 | 10% | 0.103 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 147.2 | 167.6 | 57.7 | 0 | 0 | 0 | 0 | 107.5 | V22 I24 T124 C125 | V22-V138 HydrophobicContact CB-CG1 3.84Å; V22-V138 HydrophobicContact CG1-CG1 3.43Å; V22-V138 VanDerWaalsContact CG1-CG1 3.43Å; I24-V138 HydrophobicContact CD1-CB 4.41Å; I24-V138 HydrophobicContact CD1-CG1 3.7Å; I24-V138 HydrophobicContact CD1-CG2 4.27Å; I24-V138 WeakPolarHBondContact CD1-O 3.37Å; I24-V138 HydrophobicContact CG1-CG1 3.6Å; I24-V138 HydrophobicContact CG1-CG2 4.42Å; T124-V138 CarbonylContact C-O 3.51Å; T124-V138 WeakPolarHBondContact CA-O 3.24Å; C125-V138 HydrophobicContact CB-CG1 4.3Å; C125-V138 PolarHBondContact N-O 2.84Å; C125-V138 PolarHBondContact O-N 3.37Å; C125-V138 VanDerWaalsContact O-N 3.07Å |
| 139 | H | 87.3 | Confident | 84.4 | Confident | 73 Ų | 73 | 59.1 Ų | 59.1 | 34% | 0.338 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 159 | -177.7 | 63.7 | -89.9 | 0 | 0 | 0 | 112.2 | K122 Y123 T124 | K122-H139 HydrophobicContact CD-CB 4.41Å; K122-H139 WeakPolarHBondContact CE-CD2 3.44Å; K122-H139 HydrophobicContact CG-CB 3.9Å; Y123-H139 CarbonylContact O-C 3.55Å; Y123-H139 WeakPolarHBondContact O-CA 3.49Å; Y123-H139 WeakPolarHBondContact O-CB 3.14Å; T124-H139 HydrophobicContact CG2-CB 4.33Å; T124-H139 WeakPolarHBondContact OG1-CB 3.38Å |
| 140 | R | 86.1 | Confident | 85.3 | Confident | 11 Ų | 11 | 57.9 Ų | 57.9 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 149.2 | 168.6 | -61.8 | -65.5 | 179.2 | -102.5 | 2.3 | 109.2 | I24 N41 T43 V44 I46 K122 Y123 | I24-R140 HydrophobicContact CB-CG 4.01Å; I24-R140 HydrophobicContact CD1-CG 4.07Å; I24-R140 HydrophobicContact CG2-CG 3.53Å; I24-R140 PolarHBondContact O-NH2 3.06Å; N41-R140 PolarHBondContact OD1-NH2 2.82Å; T43-R140 WeakPolarHBondContact O-CD 3.18Å; T43-R140 PolarHBondContact O-NE 3.24Å; V44-R140 CarbonylContact O-C 3.57Å; V44-R140 VanDerWaalsContact O-CA 3.3Å; V44-R140 WeakPolarHBondContact O-CA 3.27Å; I46-R140 HydrophobicContact CD1-CB 3.72Å; I46-R140 HydrophobicContact CD1-CG 4.01Å; I46-R140 HydrophobicContact CG1-CB 4.07Å; I46-R140 HydrophobicContact CG1-CG 4.4Å; K122-R140 CarbonylContact C-O 3.58Å; K122-R140 WeakPolarHBondContact CA-O 3.16Å; Y123-R140 PolarHBondContact N-O 2.84Å; Y123-R140 PolarHBondContact O-N 2.85Å |
| 141 | I | 88.2 | Confident | 86.6 | Confident | 44 Ų | 44 | 52.6 Ų | 52.6 | 23% | 0.226 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 116.5 | 174.1 | -64 | 173.6 | 0 | 0 | 0 | 106.8 | V44 L45 I46 L76 G121 R143 | V44-I141 HydrophobicContact CG1-CD1 4.1Å; V44-I141 HydrophobicContact CG1-CG1 4.23Å; V44-I141 PolarHBondContact O-N 3.13Å; L45-I141 CarbonylContact C-O 3.55Å; L45-I141 WeakPolarHBondContact CA-O 3.27Å; L45-I141 HydrophobicContact CD1-CB 4.12Å; L45-I141 HydrophobicContact CD1-CG2 3.91Å; L45-I141 WeakPolarHBondContact CD1-O 3.48Å; I46-I141 PolarHBondContact N-O 2.7Å; L76-I141 HydrophobicContact CD1-CG2 4.16Å; L76-I141 HydrophobicContact CD2-CG2 4.04Å; G121-I141 WeakPolarHBondContact O-CA 3.49Å; I141-R143 HydrophobicContact CG2-CG 4.35Å |
| 142 | L | 90.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 120.7 | 172.1 | 179.2 | 59 | 0 | 0 | 0 | 108.8 | I46 V54 I112 L115 E120 G121 Y123 V144 | I46-L142 HydrophobicContact CB-CD1 4.04Å; I46-L142 HydrophobicContact CG2-CD1 3.65Å; I46-L142 WeakPolarHBondContact O-CA 3.4Å; V54-L142 HydrophobicContact CG1-CD1 4.47Å; I112-L142 HydrophobicContact CD1-CD2 3.98Å; L115-L142 HydrophobicContact CD2-CD2 3.88Å; E120-L142 WeakPolarHBondContact CA-O 3.33Å; G121-L142 PolarHBondContact N-O 3.12Å; G121-L142 PolarHBondContact O-N 3.03Å; Y123-L142 HydrophobicContact CD2-CB 3.89Å; Y123-L142 HydrophobicContact CD2-CD2 4.49Å; Y123-L142 HydrophobicContact CE2-CB 3.76Å; Y123-L142 HydrophobicContact CE2-CD2 3.79Å; Y123-L142 HydrophobicContact CE2-CG 4.42Å; L142-V144 HydrophobicContact CG-CG2 4.32Å |
| 143 | R | 91 | Very high | 89.3 | Confident | 122 Ų | 122 | 62.4 Ų | 62.4 | 46% | 0.46 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 138.2 | 167.9 | -76 | -172.3 | -174.2 | 175 | -2.7 | 110 | L45 I46 N47 G48 I141 F145 | L45-R143 HydrophobicContact CD1-CB 4.26Å; L45-R143 HydrophobicContact CD1-CG 3.73Å; I46-R143 PolarHBondContact O-N 3.3Å; N47-R143 WeakPolarHBondContact CA-O 3.41Å; G48-R143 PolarHBondContact N-O 2.84Å; I141-R143 HydrophobicContact CG2-CG 4.35Å; R143-F145 HydrophobicContact CB-CE2 3.7Å; R143-F145 HydrophobicContact CB-CZ 4.05Å |
| 144 | V | 93.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 123.8 | -176.4 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | G48 V50 L115 K117 E120 L142 | G48-V144 WeakPolarHBondContact O-CA 3.37Å; V50-V144 HydrophobicContact CG2-CG1 3.62Å; L115-V144 HydrophobicContact CB-CG1 4.39Å; L115-V144 HydrophobicContact CD1-CG2 4.46Å; L115-V144 HydrophobicContact CD2-CG2 4.32Å; K117-V144 PolarHBondContact NZ-O 2.82Å; E120-V144 HydrophobicContact CG-CB 3.83Å; E120-V144 HydrophobicContact CG-CG2 3.76Å; E120-V144 PolarHBondContact OE1-N 2.93Å; L142-V144 HydrophobicContact CG-CG2 4.32Å |
| 145 | F | 94.6 | Very high | 91.8 | Very high | 34 Ų | 34 | 54 Ų | 54 | 15% | 0.149 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 162.5 | -179.6 | -59.9 | -87 | 0 | 0 | 0 | 110.4 | N47 G48 L49 V50 R143 I176 M226 | N47-F145 HydrophobicContact CB-CD2 4.13Å; N47-F145 HydrophobicContact CB-CE2 3.81Å; N47-F145 WeakPolarHBondContact OD1-CE2 3.3Å; G48-F145 PolarHBondContact O-N 2.68Å; L49-F145 CarbonylContact C-O 3.6Å; L49-F145 VanDerWaalsContact CA-O 3.32Å; L49-F145 WeakPolarHBondContact CA-O 3.38Å; L49-F145 HydrophobicContact CD2-CB 4.08Å; V50-F145 WeakPolarHBondContact CG2-O 3.42Å; V50-F145 PolarHBondContact N-O 3.26Å; R143-F145 HydrophobicContact CB-CE2 3.7Å; R143-F145 HydrophobicContact CB-CZ 4.05Å; F145-I176 WeakPolarHBondContact CA-O 3.43Å; F145-I176 WeakPolarHBondContact CB-O 3.26Å; F145-M226 HydrophobicContact CB-CE 4.29Å; F145-M226 HydrophobicContact CB-CG 3.63Å; F145-M226 HydrophobicContact CB-SD 3.53Å; F145-M226 VanDerWaalsContact CB-SD 3.53Å; F145-M226 HydrophobicContact CD1-CE 3.93Å; F145-M226 HydrophobicContact CD1-SD 4.3Å; F145-M226 HydrophobicContact CD2-SD 4.43Å; F145-M226 HydrophobicContact CE1-CE 4.37Å; F145-M226 HydrophobicContact CG-CE 4Å; F145-M226 HydrophobicContact CG-CG 4.33Å; F145-M226 HydrophobicContact CG-SD 3.85Å |
| 146 | A | 95.1 | Very high | 92.6 | Very high | 17 Ų | 17 | 54.3 Ų | 54.3 | 14% | 0.14 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 133.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | V50 I176 N224 | V50-A146 HydrophobicContact CB-CB 4.31Å; V50-A146 HydrophobicContact CG2-CB 3.93Å; A146-I176 HydrophobicContact CB-CB 4.02Å; A146-I176 HydrophobicContact CB-CD1 4.36Å; A146-I176 HydrophobicContact CB-CG1 4Å; A146-I176 PolarHBondContact N-O 2.8Å; A146-I176 PolarHBondContact O-N 2.81Å; A146-I176 VanDerWaalsContact O-O 3.09Å; A146-N224 PolarHBondContact O-ND2 2.82Å |
| 147 | K | 95.8 | Very high | 93.5 | Very high | 119 Ų | 119 | 59.4 Ų | 59.4 | 52% | 0.517 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 151.8 | 170.8 | -65.2 | -178.8 | 179 | 161.5 | 0 | 109.4 | L49 N149 M226 | L49-K147 HydrophobicContact CD2-CG 4.47Å; K147-N149 PolarHBondContact O-N 2.93Å; K147-M226 HydrophobicContact CG-CB 4.08Å |
| 148 | P | 98.1 | Very high | 94.1 | Very high | 10 Ų | 10 | 57.8 Ų | 57.8 | 7% | 0.065 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 137.7 | 174.9 | -21.6 | 35.9 | 0 | 0 | 0 | 109.6 | D174 P179 A222 N224 G227 A229 | P148-D174 CarbonylContact C-O 3.55Å; P148-D174 WeakPolarHBondContact CA-O 3.17Å; P148-P179 HydrophobicContact CB-CB 3.95Å; P148-P179 HydrophobicContact CB-CG 4.4Å; P148-P179 HydrophobicContact CG-CB 4.09Å; P148-A222 HydrophobicContact CB-CB 4.1Å; P148-A222 WeakPolarHBondContact CB-O 3.34Å; P148-N224 VanDerWaalsContact CD-OD1 3.23Å; P148-N224 WeakPolarHBondContact CD-OD1 3.31Å; P148-N224 HydrophobicContact CG-CB 4.15Å; P148-N224 WeakPolarHBondContact CG-OD1 3.05Å; P148-G227 WeakPolarHBondContact CD-O 3.39Å; P148-G227 VanDerWaalsContact CG-O 3.3Å; P148-G227 WeakPolarHBondContact CG-O 3.44Å; P148-A229 HydrophobicContact CB-CB 4.13Å; P148-A229 WeakPolarHBondContact O-CB 3.44Å |
| 149 | N | 97 | Very high | 94.6 | Very high | 87 Ų | 87 | 58.7 Ų | 58.7 | 47% | 0.465 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 134 | 173.3 | 162.2 | 68.7 | 0 | 0 | 0 | 109.2 | K147 V151 A173 D174 | K147-N149 PolarHBondContact O-N 2.93Å; N149-V151 PolarHBondContact O-N 2.82Å; N149-A173 CarbonylContact O-C 3.56Å; N149-A173 WeakPolarHBondContact O-CA 3Å; N149-A173 WeakPolarHBondContact O-CB 3.48Å; N149-D174 WeakPolarHBondContact CB-OD1 3.41Å; N149-D174 PolarHBondContact N-O 2.85Å; N149-D174 PolarHBondContact ND2-OD1 3.38Å; N149-D174 PolarHBondContact O-N 2.94Å |
| 150 | I | 98.1 | Very high | 95 | Very high | 12 Ų | 12 | 59 Ų | 59 | 6% | 0.062 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 123.2 | -177.9 | -58.4 | -61.1 | 0 | 0 | 0 | 108.7 | R152 A173 A222 A229 W231 | I150-R152 PolarHBondContact O-N 2.71Å; I150-A173 HydrophobicContact CD1-CB 3.9Å; I150-A222 HydrophobicContact CD1-CB 3.73Å; I150-A229 HydrophobicContact CD1-CB 4.1Å; I150-A229 HydrophobicContact CG1-CB 3.89Å; I150-W231 HydrophobicContact CB-CE3 4.36Å; I150-W231 HydrophobicContact CD1-CB 4.33Å; I150-W231 HydrophobicContact CG1-CB 4.12Å; I150-W231 HydrophobicContact CG2-CB 3.96Å; I150-W231 HydrophobicContact CG2-CD2 3.84Å; I150-W231 HydrophobicContact CG2-CE3 3.9Å; I150-W231 HydrophobicContact CG2-CG 3.88Å |
| 151 | V | 97.9 | Very high | 95.6 | Very high | 20 Ų | 20 | 59.3 Ų | 59.3 | 12% | 0.121 | 28% | 0.281 | C | S | . | . | trans | -81.3 | 89.4 | 175.2 | -167.6 | 0 | 0 | 0 | 0 | 109.1 | N149 H153 M154 S155 N172 D174 | N149-V151 PolarHBondContact O-N 2.82Å; V151-H153 WeakPolarHBondContact CG1-CE1 3.36Å; V151-H153 PolarHBondContact O-N 3.36Å; V151-M154 HydrophobicContact CB-CE 3.79Å; V151-M154 HydrophobicContact CG1-CB 4.29Å; V151-M154 HydrophobicContact CG1-CE 3.37Å; V151-M154 HydrophobicContact CG1-CG 4.13Å; V151-M154 HydrophobicContact CG2-CE 4.11Å; V151-M154 CarbonylContact O-C 3.59Å; V151-M154 PolarHBondContact O-N 2.9Å; V151-S155 PolarHBondContact O-N 2.85Å; V151-S155 PolarHBondContact O-OG 2.87Å; V151-N172 PolarHBondContact N-O 3.03Å; V151-D174 HydrophobicContact CG2-CB 4.36Å | ||
| 152 | R | 97.2 | Very high | 96 | Very high | 150 Ų | 150 | 59.3 Ų | 59.3 | 57% | 0.566 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -56.5 | -44.8 | -168.2 | -58.8 | -177 | 177.2 | -123.9 | -2.5 | 114 | I150 M154 S155 Y157 W231 | I150-R152 PolarHBondContact O-N 2.71Å; R152-M154 PolarHBondContact O-N 2.67Å; R152-S155 PolarHBondContact O-N 2.74Å; R152-Y157 WeakPolarHBondContact O-CE2 3.45Å; R152-W231 HydrophobicContact CB-CH2 4.11Å; R152-W231 HydrophobicContact CB-CZ2 4.46Å; R152-W231 HydrophobicContact CG-CH2 3.72Å; R152-W231 HydrophobicContact CG-CZ2 4.46Å; R152-W231 HydrophobicContact CG-CZ3 3.8Å |
| 153 | H | 95.7 | Very high | 96.3 | Very high | 156 Ų | 156 | 62 Ų | 62 | 72% | 0.722 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -69.1 | -14.4 | -178.7 | 67.6 | -89.4 | 0 | 0 | 0 | 113.7 | V151 | V151-H153 WeakPolarHBondContact CG1-CE1 3.36Å; V151-H153 PolarHBondContact O-N 3.36Å |
| 154 | M | 96.6 | Very high | 96.5 | Very high | 96 Ų | 96 | 57.9 Ų | 57.9 | 47% | 0.473 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -105.3 | 7.9 | 173.2 | -62.5 | -163 | -77.8 | 0 | 0 | 112.5 | V151 R152 N172 | V151-M154 HydrophobicContact CB-CE 3.79Å; V151-M154 HydrophobicContact CG1-CB 4.29Å; V151-M154 HydrophobicContact CG1-CE 3.37Å; V151-M154 HydrophobicContact CG1-CG 4.13Å; V151-M154 HydrophobicContact CG2-CE 4.11Å; V151-M154 CarbonylContact O-C 3.59Å; V151-M154 PolarHBondContact O-N 2.9Å; R152-M154 PolarHBondContact O-N 2.67Å; M154-N172 HydrophobicContact CB-CB 4.02Å; M154-N172 PolarHBondContact O-ND2 2.93Å |
| 155 | S | 97.3 | Very high | 96.7 | Very high | 9 Ų | 9 | 61.7 Ų | 61.7 | 6% | 0.063 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -114.6 | 147.9 | -179.9 | -57.4 | 0 | 0 | 0 | 0 | 109.7 | V151 R152 Y157 H170 N172 | V151-S155 PolarHBondContact O-N 2.85Å; V151-S155 PolarHBondContact O-OG 2.87Å; R152-S155 PolarHBondContact O-N 2.74Å; S155-Y157 WeakPolarHBondContact O-CD2 3.47Å; S155-H170 CarbonylContact C-O 3.41Å; S155-H170 WeakPolarHBondContact CA-O 3.41Å; S155-N172 PolarHBondContact OG-N 3.14Å; S155-N172 VanDerWaalsContact OG-N 3.11Å |
| 156 | S | 97.3 | Very high | 96.8 | Very high | 19 Ų | 19 | 64.3 Ų | 64.3 | 13% | 0.133 | 34% | 0.336 | C | S | . | . | trans | -68.1 | 144.3 | 177.9 | -66.7 | 0 | 0 | 0 | 0 | 110.5 | L169 H170 W231 V233 | S156-L169 WeakPolarHBondContact OG-CA 3.3Å; S156-H170 PolarHBondContact N-O 3.35Å; S156-H170 PolarHBondContact OG-N 2.81Å; S156-W231 PolarHBondContact O-NE1 3.27Å; S156-V233 WeakPolarHBondContact O-CG2 3.34Å | ||
| 157 | Y | 96.7 | Very high | 96.9 | Very high | 129 Ų | 129 | 64.2 Ų | 64.2 | 51% | 0.506 | 33% | 0.334 | S | S | . | . | trans | -100.8 | -177.5 | 168.4 | -70.5 | -98.8 | 0 | 0 | 0 | 109.2 | R152 S155 T159 W231 V233 | R152-Y157 WeakPolarHBondContact O-CE2 3.45Å; S155-Y157 WeakPolarHBondContact O-CD2 3.47Å; Y157-T159 PolarHBondContact O-N 2.91Å; Y157-T159 PolarHBondContact O-OG1 2.89Å; Y157-W231 HydrophobicContact CD1-CZ2 4.01Å; Y157-W231 HydrophobicContact CE1-CH2 4.04Å; Y157-W231 AromaticContact CE1-CZ2 3.67Å; Y157-W231 HydrophobicContact CE1-CZ2 3.67Å; Y157-W231 AromaticContact CZ-CZ2 3.95Å; Y157-V233 VanDerWaalsContact O-CG1 3.3Å; Y157-V233 WeakPolarHBondContact O-CG1 3.42Å | ||
| 158 | D | 96.8 | Very high | 97 | Very high | 88 Ų | 88 | 60.5 Ų | 60.5 | 47% | 0.471 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -49.7 | 125.5 | 173.5 | -70.2 | 0.9 | 0 | 0 | 0 | 109.9 | R232 R234 | D158-R232 IonicContact OD1-CZ 3.23Å; D158-R232 IonicContact OD1-NH1 3.57Å; D158-R232 IonicContact OD1-NH2 3.64Å; D158-R232 PolarHBondContact OD1-NH2 2.92Å; D158-R232 IonicContact OD2-CZ 3.34Å; D158-R232 IonicContact OD2-NH1 2.72Å; D158-R232 IonicContact OD2-NH2 3.11Å; D158-R232 PolarHBondContact OD2-NH2 3.18Å; D158-R234 CarbonylContact C-O 3.54Å; D158-R234 VanDerWaalsContact CA-O 3.3Å; D158-R234 WeakPolarHBondContact CA-O 3.47Å; D158-R234 HydrophobicContact CB-CB 4.36Å; D158-R234 PolarHBondContact OD1-N 2.84Å |
| 159 | T | 96.4 | Very high | 96.9 | Very high | 37 Ų | 37 | 60 Ų | 60 | 23% | 0.227 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 133.5 | -167.6 | -59.7 | 0 | 0 | 0 | 0 | 109 | Y157 V167 R234 L235 Q236 | Y157-T159 PolarHBondContact O-N 2.91Å; Y157-T159 PolarHBondContact O-OG1 2.89Å; T159-V167 HydrophobicContact CG2-CG2 3.9Å; T159-R234 PolarHBondContact N-O 2.82Å; T159-L235 HydrophobicContact CG2-CD1 4.23Å; T159-Q236 PolarHBondContact O-N 3.07Å |
| 160 | D | 96.1 | Very high | 97 | Very high | 80 Ų | 80 | 59.4 Ų | 59.4 | 43% | 0.428 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 129.4 | 174.5 | -171.3 | 16.1 | 0 | 0 | 0 | 108.8 | Q236 R238 | D160-Q236 WeakPolarHBondContact CA-O 3.43Å; D160-Q236 HydrophobicContact CB-CB 4.45Å; D160-R238 WeakPolarHBondContact OD1-CG 3.42Å; D160-R238 WeakPolarHBondContact OD2-CD 3.42Å; D160-R238 IonicContact OD2-NH1 3.72Å |
| 161 | V | 97.5 | Very high | 97 | Very high | 16 Ų | 16 | 58.9 Ų | 58.9 | 10% | 0.097 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 147.7 | -172.2 | 62.1 | 0 | 0 | 0 | 0 | 110.7 | D165 V167 V210 L235 Q236 V237 R238 | V161-D165 HydrophobicContact CG2-CB 3.67Å; V161-V167 HydrophobicContact CG1-CB 4.5Å; V161-V167 HydrophobicContact CG1-CG1 4.37Å; V161-V167 HydrophobicContact CG2-CB 4.38Å; V161-V210 HydrophobicContact CG1-CB 4.45Å; V161-V210 HydrophobicContact CG1-CG1 3.79Å; V161-V210 HydrophobicContact CG1-CG2 4.26Å; V161-V210 HydrophobicContact CG2-CG1 4.08Å; V161-L235 HydrophobicContact CG1-CD1 3.69Å; V161-Q236 PolarHBondContact N-O 3.15Å; V161-V237 HydrophobicContact CG1-CG2 4.35Å; V161-V237 CarbonylContact O-C 3.16Å; V161-V237 VanDerWaalsContact O-CA 3.3Å; V161-V237 WeakPolarHBondContact O-CA 3.2Å; V161-R238 PolarHBondContact O-N 2.79Å |
| 162 | D | 97.3 | Very high | 97 | Very high | 44 Ų | 44 | 59.8 Ų | 59.8 | 24% | 0.235 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 143.6 | 175.9 | -70.1 | -29.3 | 0 | 0 | 0 | 111.3 | G164 D165 V210 R238 | D162-G164 PolarHBondContact O-N 3.33Å; D162-D165 WeakPolarHBondContact O-CB 3.23Å; D162-D165 PolarHBondContact O-N 3.32Å; D162-D165 VanDerWaalsContact O-N 3.09Å; D162-V210 WeakPolarHBondContact O-CG1 3.49Å; D162-R238 CarbonylContact C-O 3.59Å; D162-R238 WeakPolarHBondContact OD1-CB 3.45Å; D162-R238 IonicContact OD1-CZ 3.15Å; D162-R238 IonicContact OD1-NE 3.47Å; D162-R238 PolarHBondContact OD1-NE 3.04Å; D162-R238 IonicContact OD1-NH2 2.81Å; D162-R238 PolarHBondContact OD1-NH2 3.48Å; D162-R238 IonicContact OD2-CZ 3.93Å; D162-R238 IonicContact OD2-NH2 2.88Å; D162-R238 PolarHBondContact OD2-NH2 3.35Å |
| 163 | S | 96.6 | Very high | 97 | Very high | 56 Ų | 56 | 53.8 Ų | 53.8 | 39% | 0.392 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 132.7 | 176.8 | -170.7 | 0 | 0 | 0 | 0 | 110.6 | V210 R238 | S163-V210 CarbonylContact C-O 3.52Å; S163-V210 WeakPolarHBondContact CA-O 3.35Å; S163-V210 PolarHBondContact OG-O 2.94Å; S163-R238 WeakPolarHBondContact CB-O 3.17Å; S163-R238 PolarHBondContact N-O 2.96Å |
| 164 | G | 95.8 | Very high | 97.1 | Very high | 37 Ų | 37 | 50.2 Ų | 50.2 | 38% | 0.381 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97 | -18.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D162 V210 | D162-G164 PolarHBondContact O-N 3.33Å; G164-V210 PolarHBondContact N-O 3.01Å |
| 165 | D | 97.6 | Very high | 97.1 | Very high | 79 Ų | 79 | 46.4 Ų | 46.4 | 42% | 0.422 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -78.6 | 152.2 | 178.7 | -73.5 | -12.1 | 0 | 0 | 0 | 112.2 | V161 D162 V210 | V161-D165 HydrophobicContact CG2-CB 3.67Å; D162-D165 WeakPolarHBondContact O-CB 3.23Å; D162-D165 PolarHBondContact O-N 3.32Å; D162-D165 VanDerWaalsContact O-N 3.09Å; D165-V210 WeakPolarHBondContact O-CG1 3.19Å; D165-V210 PolarHBondContact O-N 2.92Å |
| 166 | P | 97.2 | Very high | 97 | Very high | 89 Ų | 89 | 48.2 Ų | 48.2 | 58% | 0.578 | 28% | 0.278 | S | S | * | . | trans | -76.7 | 141 | 172.2 | 31.3 | -34.1 | 0 | 0 | 0 | 111.2 | F207 D208 | P166-F207 CarbonylContact C-O 3.55Å; P166-F207 VanDerWaalsContact CA-O 3.26Å; P166-F207 WeakPolarHBondContact CA-O 3.5Å; P166-D208 WeakPolarHBondContact CA-O 3.48Å; P166-D208 WeakPolarHBondContact CB-O 3.3Å | ||
| 167 | V | 96.9 | Very high | 96.9 | Very high | 15 Ų | 15 | 49.7 Ų | 49.7 | 9% | 0.091 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 140.3 | 174.2 | 63.8 | 0 | 0 | 0 | 0 | 111.3 | T159 V161 L169 F207 V210 L235 | T159-V167 HydrophobicContact CG2-CG2 3.9Å; V161-V167 HydrophobicContact CG1-CB 4.5Å; V161-V167 HydrophobicContact CG1-CG1 4.37Å; V161-V167 HydrophobicContact CG2-CB 4.38Å; V167-L169 HydrophobicContact CG2-CD2 4.1Å; V167-F207 HydrophobicContact CG1-CB 3.91Å; V167-F207 HydrophobicContact CG1-CD2 3.81Å; V167-F207 HydrophobicContact CG1-CG 4.22Å; V167-F207 PolarHBondContact N-O 2.8Å; V167-F207 PolarHBondContact O-N 2.01Å; V167-V210 HydrophobicContact CG1-CB 4.18Å; V167-V210 HydrophobicContact CG1-CG2 4.22Å; V167-L235 HydrophobicContact CG1-CD1 4.31Å; V167-L235 HydrophobicContact CG1-CD2 4.4Å; V167-L235 HydrophobicContact CG2-CD1 4.3Å |
| 168 | S | 96.8 | Very high | 96.9 | Very high | 42 Ų | 42 | 49 Ų | 49 | 29% | 0.294 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 127.1 | 173.8 | -59.2 | 0 | 0 | 0 | 0 | 109.7 | H170 I205 | S168-H170 WeakPolarHBondContact CB-NE2 3.49Å; S168-I205 CarbonylContact C-O 3.53Å; S168-I205 WeakPolarHBondContact CA-O 3.35Å |
| 169 | L | 97.1 | Very high | 97 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 124.2 | 170.9 | -41.7 | 176.2 | 0 | 0 | 0 | 108.9 | S156 V167 W183 V204 I205 F207 Y218 V233 | S156-L169 WeakPolarHBondContact OG-CA 3.3Å; V167-L169 HydrophobicContact CG2-CD2 4.1Å; L169-W183 HydrophobicContact CB-CH2 4.02Å; L169-W183 HydrophobicContact CB-CZ2 4.3Å; L169-V204 WeakPolarHBondContact O-CA 3.07Å; L169-I205 HydrophobicContact CB-CG2 3.54Å; L169-I205 HydrophobicContact CD1-CG2 3.96Å; L169-I205 HydrophobicContact CG-CG2 3.91Å; L169-I205 PolarHBondContact N-O 3.1Å; L169-I205 PolarHBondContact O-N 3.11Å; L169-F207 HydrophobicContact CD1-CE2 4.44Å; L169-Y218 HydrophobicContact CD1-CD2 3.95Å; L169-Y218 HydrophobicContact CD1-CG 3.94Å; L169-V233 HydrophobicContact CD1-CG1 4.14Å; L169-V233 HydrophobicContact CD2-CG1 4.08Å |
| 170 | H | 98 | Very high | 97.1 | Very high | 74 Ų | 74 | 49.7 Ų | 49.7 | 34% | 0.343 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 143.2 | -176.3 | -63.4 | -97.7 | 0 | 0 | 0 | 110.5 | S155 S156 S168 N203 V204 | S155-H170 CarbonylContact C-O 3.41Å; S155-H170 WeakPolarHBondContact CA-O 3.41Å; S156-H170 PolarHBondContact N-O 3.35Å; S156-H170 PolarHBondContact OG-N 2.81Å; S168-H170 WeakPolarHBondContact CB-NE2 3.49Å; H170-N203 CarbonylContact C-O 3.52Å; H170-N203 WeakPolarHBondContact CA-O 3.4Å; H170-V204 WeakPolarHBondContact ND1-CG2 3.46Å |
| 171 | C | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | trans | -145.2 | 112.7 | 172.2 | 176.8 | 0 | 0 | 0 | 0 | 108.6 | I181 W183 N203 C220 | C171-I181 HydrophobicContact CB-CG2 4.47Å; C171-I181 WeakPolarHBondContact O-CD1 2.91Å; C171-W183 HydrophobicContact CB-CH2 3.73Å; C171-W183 HydrophobicContact CB-CZ2 3.2Å; C171-N203 PolarHBondContact N-O 2.83Å; C171-N203 WeakPolarHBondContact O-CA 3.45Å; C171-N203 WeakPolarHBondContact O-CB 3.4Å; C171-C220 HydrophobicContact CB-CB 3.49Å; C171-C220 VanDerWaalsContact CB-CB 3.49Å; C171-C220 WeakPolarHBondContact CB-SG 3.42Å; C171-C220 WeakPolarHBondContact SG-CB 3.5Å; C171-C220 CovalentContact SG-SG 2.01Å; C171-C220 PolarHBondContact SG-SG 3.03Å | ||
| 172 | N | 98 | Very high | 97.1 | Very high | 40 Ų | 40 | 47.4 Ų | 47.4 | 21% | 0.214 | 28% | 0.282 | C | S | . | . | trans | -115.2 | 138.8 | 180 | -70.4 | -51.9 | 0 | 0 | 0 | 109 | V151 M154 S155 N203 | V151-N172 PolarHBondContact N-O 3.03Å; M154-N172 HydrophobicContact CB-CB 4.02Å; M154-N172 PolarHBondContact O-ND2 2.93Å; S155-N172 PolarHBondContact OG-N 3.14Å; S155-N172 VanDerWaalsContact OG-N 3.11Å; N172-N203 PolarHBondContact OD1-ND2 2.77Å | ||
| 173 | A | 98 | Very high | 97 | Very high | 23 Ų | 23 | 45.3 Ų | 45.3 | 19% | 0.19 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 141.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | N149 I150 P179 I181 A222 | N149-A173 CarbonylContact O-C 3.56Å; N149-A173 WeakPolarHBondContact O-CA 3Å; N149-A173 WeakPolarHBondContact O-CB 3.48Å; I150-A173 HydrophobicContact CD1-CB 3.9Å; A173-P179 HydrophobicContact CB-CG 3.79Å; A173-I181 HydrophobicContact CB-CD1 4.01Å; A173-A222 HydrophobicContact CB-CB 3.39Å |
| 174 | D | 97.1 | Very high | 96.9 | Very high | 81 Ų | 81 | 47.8 Ų | 47.8 | 43% | 0.433 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 162.7 | 169.4 | 59.5 | -9.2 | 0 | 0 | 0 | 110.6 | P148 N149 V151 | P148-D174 CarbonylContact C-O 3.55Å; P148-D174 WeakPolarHBondContact CA-O 3.17Å; N149-D174 WeakPolarHBondContact CB-OD1 3.41Å; N149-D174 PolarHBondContact N-O 2.85Å; N149-D174 PolarHBondContact ND2-OD1 3.38Å; N149-D174 PolarHBondContact O-N 2.94Å; V151-D174 HydrophobicContact CG2-CB 4.36Å |
| 175 | G | 96.5 | Very high | 96.6 | Very high | 16 Ų | 16 | 47.8 Ų | 47.8 | 17% | 0.165 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.6 | 160.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | P177 | G175-P177 CarbonylContact C-O 3.59Å; G175-P177 CarbonylContact O-C 3.54Å |
| 176 | I | 95.3 | Very high | 95.8 | Very high | 48 Ų | 48 | 46.4 Ų | 46.4 | 25% | 0.246 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 109.8 | 178.5 | -53.2 | 176.7 | 0 | 0 | 0 | 108 | K117 F145 A146 | K117-I176 HydrophobicContact CD-CD1 3.88Å; K117-I176 HydrophobicContact CG-CD1 4.33Å; F145-I176 WeakPolarHBondContact CA-O 3.43Å; F145-I176 WeakPolarHBondContact CB-O 3.26Å; A146-I176 HydrophobicContact CB-CB 4.02Å; A146-I176 HydrophobicContact CB-CD1 4.36Å; A146-I176 HydrophobicContact CB-CG1 4Å; A146-I176 PolarHBondContact N-O 2.8Å; A146-I176 PolarHBondContact O-N 2.81Å; A146-I176 VanDerWaalsContact O-O 3.09Å |
| 177 | P | 95.9 | Very high | 93.9 | Very high | 49 Ų | 49 | 47.3 Ų | 47.3 | 32% | 0.318 | 27% | 0.269 | S | S | . | . | S | Bend | cis | -65.4 | 163.6 | 0.4 | -18.6 | 34 | 0 | 0 | 0 | 113.2 | G175 N224 S225 | G175-P177 CarbonylContact C-O 3.59Å; G175-P177 CarbonylContact O-C 3.54Å; P177-N224 WeakPolarHBondContact O-CB 3.42Å; P177-N224 PolarHBondContact O-ND2 2.8Å; P177-S225 WeakPolarHBondContact CD-OG 3.32Å |
| 178 | P | 96.9 | Very high | 92 | Very high | 115 Ų | 115 | 49.2 Ų | 49.2 | 75% | 0.747 | 29% | 0.292 | S | S | * | . | P | Polyproline II helix | trans | -51.3 | 130 | 175.7 | -27.5 | 35.5 | 0 | 0 | 0 | 111.5 | ||
| 179 | P | 98.1 | Very high | 90.1 | Very high | 21 Ų | 21 | 53 Ų | 53 | 14% | 0.136 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 141.2 | -176.3 | 28.6 | -33.6 | 0 | 0 | 0 | 112 | P148 A173 A222 E223 N224 | P148-P179 HydrophobicContact CB-CB 3.95Å; P148-P179 HydrophobicContact CB-CG 4.4Å; P148-P179 HydrophobicContact CG-CB 4.09Å; A173-P179 HydrophobicContact CB-CG 3.79Å; P179-A222 HydrophobicContact CB-CB 4.09Å; P179-A222 HydrophobicContact CG-CB 4.45Å; P179-E223 CarbonylContact C-O 3.53Å; P179-E223 VanDerWaalsContact CA-O 3.32Å; P179-E223 WeakPolarHBondContact CA-O 3.14Å; P179-N224 HydrophobicContact CB-CB 4.5Å |
| 180 | F | 97.9 | Very high | 88.4 | Confident | 118 Ų | 118 | 55 Ų | 55 | 52% | 0.518 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 126.5 | 165.8 | 178.9 | -109.3 | 0 | 0 | 0 | 109.4 | Y182 E223 | F180-Y182 AromaticContact CD1-CD1 3.64Å; F180-Y182 HydrophobicContact CD1-CD1 3.64Å; F180-Y182 HydrophobicContact CD1-CE1 4.2Å; F180-Y182 AromaticContact CE1-CD1 3.64Å; F180-Y182 HydrophobicContact CE1-CD1 3.64Å; F180-Y182 HydrophobicContact CE1-CE1 4.42Å; F180-Y182 HydrophobicContact CE1-CG 4.26Å; F180-E223 PolarHBondContact N-O 3.4Å; F180-E223 PolarHBondContact O-N 2.71Å |
| 181 | I | 98 | Very high | 87.3 | Confident | 22 Ų | 22 | 55.3 Ų | 55.3 | 11% | 0.113 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 131.6 | -176 | -56.3 | 178.8 | 0 | 0 | 0 | 110.9 | C171 A173 G202 N203 C220 Y221 A222 | C171-I181 HydrophobicContact CB-CG2 4.47Å; C171-I181 WeakPolarHBondContact O-CD1 2.91Å; A173-I181 HydrophobicContact CB-CD1 4.01Å; I181-G202 PolarHBondContact O-N 3.5Å; I181-N203 HydrophobicContact CD1-CB 4.29Å; I181-C220 WeakPolarHBondContact CG2-SG 3.42Å; I181-Y221 CarbonylContact C-O 3.49Å; I181-Y221 VanDerWaalsContact CA-O 3.26Å; I181-Y221 WeakPolarHBondContact CA-O 3.34Å; I181-A222 HydrophobicContact CG1-CB 4.23Å |
| 182 | Y | 96.3 | Very high | 86.7 | Confident | 26 Ų | 26 | 59.6 Ų | 59.6 | 10% | 0.102 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 155.6 | 174.1 | 61.8 | -86.2 | 0 | 0 | 0 | 112.4 | F180 R184 V199 K200 C220 Y221 E223 | F180-Y182 AromaticContact CD1-CD1 3.64Å; F180-Y182 HydrophobicContact CD1-CD1 3.64Å; F180-Y182 HydrophobicContact CD1-CE1 4.2Å; F180-Y182 AromaticContact CE1-CD1 3.64Å; F180-Y182 HydrophobicContact CE1-CD1 3.64Å; F180-Y182 HydrophobicContact CE1-CE1 4.42Å; F180-Y182 HydrophobicContact CE1-CG 4.26Å; Y182-R184 HydrophobicContact CD2-CG 4.27Å; Y182-R184 HydrophobicContact CE2-CG 4.42Å; Y182-V199 HydrophobicContact CD2-CG1 3.91Å; Y182-V199 HydrophobicContact CG-CG1 4.26Å; Y182-K200 CarbonylContact C-O 3.51Å; Y182-K200 VanDerWaalsContact CA-O 3.3Å; Y182-K200 WeakPolarHBondContact CA-O 3.3Å; Y182-C220 CarbonylContact O-C 3.53Å; Y182-Y221 AromaticContact CD2-CD2 3.9Å; Y182-Y221 HydrophobicContact CD2-CD2 3.9Å; Y182-Y221 HydrophobicContact CD2-CG 4.03Å; Y182-Y221 HydrophobicContact CE1-CG 4.36Å; Y182-Y221 AromaticContact CE2-CD1 3.98Å; Y182-Y221 HydrophobicContact CE2-CD1 3.98Å; Y182-Y221 AromaticContact CE2-CD2 3.54Å; Y182-Y221 HydrophobicContact CE2-CD2 3.54Å; Y182-Y221 HydrophobicContact CE2-CE2 4.34Å; Y182-Y221 AromaticContact CE2-CG 3.36Å; Y182-Y221 HydrophobicContact CE2-CG 3.36Å; Y182-Y221 AromaticContact CZ-CD1 3.95Å; Y182-Y221 AromaticContact CZ-CG 3.57Å; Y182-Y221 PolarHBondContact N-O 2.83Å; Y182-Y221 PolarHBondContact O-N 2.98Å; Y182-E223 HydrophobicContact CE1-CB 4.49Å; Y182-E223 PolarHBondContact OH-OE2 2.99Å; Y182-E223 VanDerWaalsContact OH-OE2 3.1Å |
| 183 | W | 95.7 | Very high | 86 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 146.9 | -179.5 | -66.3 | 87 | 0 | 0 | 0 | 111.8 | L169 C171 I193 V199 K200 G202 N203 I205 M219 C220 V233 | L169-W183 HydrophobicContact CB-CH2 4.02Å; L169-W183 HydrophobicContact CB-CZ2 4.3Å; C171-W183 HydrophobicContact CB-CH2 3.73Å; C171-W183 HydrophobicContact CB-CZ2 3.2Å; W183-I193 HydrophobicContact CB-CD1 4.23Å; W183-V199 WeakPolarHBondContact O-CA 3.23Å; W183-K200 HydrophobicContact CB-CB 4.26Å; W183-K200 PolarHBondContact N-O 3.28Å; W183-K200 PolarHBondContact O-N 3.44Å; W183-G202 VanDerWaalsContact CD1-O 3.23Å; W183-G202 PolarHBondContact NE1-O 3.47Å; W183-N203 PolarHBondContact NE1-O 3.31Å; W183-I205 HydrophobicContact CD2-CG2 4.19Å; W183-I205 HydrophobicContact CG-CG2 4.41Å; W183-M219 CarbonylContact C-O 3.48Å; W183-M219 WeakPolarHBondContact CA-O 3.08Å; W183-C220 HydrophobicContact CD2-CB 3.88Å; W183-C220 HydrophobicContact CE3-CB 3.69Å; W183-C220 HydrophobicContact CH2-CB 3.81Å; W183-C220 HydrophobicContact CZ2-CB 3.99Å; W183-C220 HydrophobicContact CZ3-CB 3.65Å; W183-V233 HydrophobicContact CH2-CG2 4.08Å; W183-V233 HydrophobicContact CZ3-CB 4.44Å; W183-V233 HydrophobicContact CZ3-CG2 4.12Å |
| 184 | R | 92.9 | Very high | 85.4 | Confident | 109 Ų | 109 | 59.8 Ų | 59.8 | 41% | 0.411 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 155.2 | 169 | -59.1 | -173.1 | 175.7 | 179.4 | 0.6 | 109.7 | Y182 V199 Y218 M219 Y221 | Y182-R184 HydrophobicContact CD2-CG 4.27Å; Y182-R184 HydrophobicContact CE2-CG 4.42Å; R184-V199 HydrophobicContact CG-CG2 4.19Å; R184-Y218 CarbonylContact O-C 3.59Å; R184-Y218 WeakPolarHBondContact O-CA 3.36Å; R184-M219 PolarHBondContact N-O 2.84Å; R184-M219 PolarHBondContact O-N 2.84Å; R184-Y221 HydrophobicContact CB-CE2 3.95Å; R184-Y221 HydrophobicContact CG-CD2 4.28Å; R184-Y221 HydrophobicContact CG-CE2 3.9Å |
| 185 | R | 90.9 | Very high | 84.8 | Confident | 37 Ų | 37 | 62.6 Ų | 62.6 | 14% | 0.14 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 124.3 | 169.4 | -164.2 | 171.4 | 178.4 | -177.8 | 0.1 | 109 | S190 I193 D213 A215 E217 Y218 | R185-S190 WeakPolarHBondContact CD-O 3.21Å; R185-I193 HydrophobicContact CB-CG1 4.17Å; R185-D213 VanDerWaalsContact CZ-O 3.25Å; R185-D213 PolarHBondContact NH1-O 2.78Å; R185-D213 PolarHBondContact NH2-O 2.94Å; R185-A215 PolarHBondContact NH2-O 3.16Å; R185-E217 CarbonylContact C-O 3.53Å; R185-E217 WeakPolarHBondContact CA-O 3.37Å; R185-E217 WeakPolarHBondContact CG-O 3.32Å; R185-Y218 HydrophobicContact CG-CE1 4.43Å |
| 186 | T | 79.5 | Confident | 84.2 | Confident | 49 Ų | 49 | 65.1 Ų | 65.1 | 30% | 0.301 | 39% | 0.387 | S | S | . | . | trans | -79 | 151.3 | 178.1 | -48.9 | 0 | 0 | 0 | 0 | 110.2 | G188 E217 | T186-G188 PolarHBondContact O-N 3.01Å; T186-G188 VanDerWaalsContact O-N 3.16Å; T186-E217 PolarHBondContact N-O 2.95Å | ||
| 187 | A | 57.5 | Low | 83.9 | Confident | 108 Ų | 108 | 64.3 Ų | 64.3 | 89% | 0.893 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -31.2 | 106.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 188 | G | 58.3 | Low | 83.5 | Confident | 56 Ų | 56 | 64.6 Ų | 64.6 | 58% | 0.577 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -151.1 | -165.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | T186 S190 | T186-G188 PolarHBondContact O-N 3.01Å; T186-G188 VanDerWaalsContact O-N 3.16Å; G188-S190 PolarHBondContact O-N 3.27Å |
| 189 | A | 55.5 | Low | 83.2 | Confident | 121 Ų | 121 | 61.8 Ų | 61.8 | 100% | 1 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -59.8 | -14.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 190 | S | 62.9 | Low | 83 | Confident | 42 Ų | 42 | 63.1 Ų | 63.1 | 29% | 0.294 | 38% | 0.381 | S | S | . | . | trans | -143.6 | 124.7 | 176.7 | -174.3 | 0 | 0 | 0 | 0 | 110.7 | R185 G188 I192 | R185-S190 WeakPolarHBondContact CD-O 3.21Å; G188-S190 PolarHBondContact O-N 3.27Å; S190-I192 PolarHBondContact O-N 3.06Å; S190-I192 VanDerWaalsContact OG-CB 3.31Å; S190-I192 WeakPolarHBondContact OG-CB 3.41Å; S190-I192 PolarHBondContact OG-N 3.2Å; S190-I192 VanDerWaalsContact OG-N 3.1Å; S190-I192 PolarHBondContact OG-O 2.79Å | ||
| 191 | S | 74.8 | Confident | 82.9 | Confident | 80 Ų | 80 | 60.8 Ų | 60.8 | 56% | 0.559 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -76.6 | -1.9 | 165 | 55.8 | 0 | 0 | 0 | 0 | 112.2 | ||
| 192 | I | 83.9 | Confident | 82.8 | Confident | 90 Ų | 90 | 61.1 Ų | 61.1 | 46% | 0.462 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -93.8 | 129.9 | -177.3 | -56.8 | 173.8 | 0 | 0 | 0 | 108.9 | S190 | S190-I192 PolarHBondContact O-N 3.06Å; S190-I192 VanDerWaalsContact OG-CB 3.31Å; S190-I192 WeakPolarHBondContact OG-CB 3.41Å; S190-I192 PolarHBondContact OG-N 3.2Å; S190-I192 VanDerWaalsContact OG-N 3.1Å; S190-I192 PolarHBondContact OG-O 2.79Å |
| 193 | I | 85.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 40% | 0.402 | C | S | . | . | B | Isolated β-bridge | trans | -84 | 120.9 | 165.4 | -53.7 | 177.5 | 0 | 0 | 0 | 107 | W183 R185 N195 F196 G197 K200 I205 F207 Y218 | W183-I193 HydrophobicContact CB-CD1 4.23Å; R185-I193 HydrophobicContact CB-CG1 4.17Å; I193-N195 PolarHBondContact O-N 3.25Å; I193-F196 HydrophobicContact CB-CB 4.17Å; I193-F196 HydrophobicContact CB-CD2 4.47Å; I193-F196 HydrophobicContact CG2-CB 4.13Å; I193-F196 HydrophobicContact CG2-CD2 3.55Å; I193-F196 HydrophobicContact CG2-CE2 4.47Å; I193-F196 HydrophobicContact CG2-CG 4.32Å; I193-F196 PolarHBondContact O-N 3.42Å; I193-G197 WeakPolarHBondContact CB-O 3.27Å; I193-G197 PolarHBondContact N-O 2.78Å; I193-G197 PolarHBondContact O-N 2.94Å; I193-K200 HydrophobicContact CD1-CB 4.05Å; I193-I205 HydrophobicContact CD1-CD1 4.3Å; I193-I205 HydrophobicContact CG2-CD1 3.26Å; I193-I205 HydrophobicContact CG2-CG1 4.48Å; I193-F207 HydrophobicContact CG2-CZ 4.43Å; I193-Y218 HydrophobicContact CG1-CE1 4.36Å; I193-Y218 HydrophobicContact CG2-CE1 4.21Å |
| 194 | R | 83.9 | Confident | 82.8 | Confident | 67 Ų | 67 | 65.3 Ų | 65.3 | 25% | 0.253 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | 132.7 | 179.6 | -169.5 | 166.4 | 64.3 | 117.5 | 4 | 110.1 | F196 Q209 E211 D214 | R194-F196 WeakPolarHBondContact O-CD2 3.49Å; R194-F196 PolarHBondContact O-N 3.03Å; R194-F196 VanDerWaalsContact O-N 3.15Å; R194-Q209 PolarHBondContact NH2-O 2.8Å; R194-E211 IonicContact CZ-OE1 4Å; R194-E211 IonicContact CZ-OE2 3.83Å; R194-E211 IonicContact NH1-OE1 2.94Å; R194-E211 PolarHBondContact NH1-OE1 2.91Å; R194-E211 IonicContact NH1-OE2 3.33Å; R194-E211 PolarHBondContact NH1-OE2 3.18Å; R194-D214 WeakPolarHBondContact CB-OD1 3.48Å; R194-D214 IonicContact CZ-OD1 2.77Å; R194-D214 IonicContact CZ-OD2 2.73Å; R194-D214 IonicContact NE-OD1 3.87Å; R194-D214 PolarHBondContact NE-OD1 2.85Å; R194-D214 IonicContact NE-OD2 3.77Å; R194-D214 PolarHBondContact NE-OD2 3.41Å; R194-D214 IonicContact NH2-OD1 3.98Å; R194-D214 IonicContact NH2-OD2 2.71Å; R194-D214 PolarHBondContact NH2-OD2 2.78Å |
| 195 | N | 84.7 | Confident | 82.9 | Confident | 141 Ų | 141 | 60.1 Ų | 60.1 | 75% | 0.754 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | -5.2 | -175.6 | -51.6 | -29.9 | 0 | 0 | 0 | 117.2 | I193 | I193-N195 PolarHBondContact O-N 3.25Š|
| 196 | F | 85.3 | Confident | 83.1 | Confident | 68 Ų | 68 | 63.5 Ų | 63.5 | 30% | 0.298 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.8 | -10.9 | -174.8 | -53.7 | -66.1 | 0 | 0 | 0 | 114.6 | I193 R194 K200 I205 | I193-F196 HydrophobicContact CB-CB 4.17Å; I193-F196 HydrophobicContact CB-CD2 4.47Å; I193-F196 HydrophobicContact CG2-CB 4.13Å; I193-F196 HydrophobicContact CG2-CD2 3.55Å; I193-F196 HydrophobicContact CG2-CE2 4.47Å; I193-F196 HydrophobicContact CG2-CG 4.32Å; I193-F196 PolarHBondContact O-N 3.42Å; R194-F196 WeakPolarHBondContact O-CD2 3.49Å; R194-F196 PolarHBondContact O-N 3.03Å; R194-F196 VanDerWaalsContact O-N 3.15Å; F196-K200 HydrophobicContact CB-CB 4.01Å; F196-K200 HydrophobicContact CB-CD 3.77Å; F196-K200 HydrophobicContact CD1-CD 3.11Å; F196-K200 HydrophobicContact CD2-CD 3.61Å; F196-K200 HydrophobicContact CE1-CD 3.41Å; F196-K200 VanDerWaalsContact CE1-CD 3.41Å; F196-K200 HydrophobicContact CE2-CD 3.88Å; F196-K200 HydrophobicContact CG-CB 4.31Å; F196-K200 HydrophobicContact CG-CD 3.19Å; F196-K200 HydrophobicContact CG-CG 4.35Å; F196-K200 HydrophobicContact CZ-CD 3.78Å; F196-I205 HydrophobicContact CD2-CD1 4.25Å; F196-I205 HydrophobicContact CD2-CG1 4.3Å; F196-I205 HydrophobicContact CE2-CD1 4.31Å; F196-I205 HydrophobicContact CE2-CG1 3.94Å |
| 197 | G | 88.2 | Confident | 83.8 | Confident | 32 Ų | 32 | 61.5 Ų | 61.5 | 33% | 0.33 | 40% | 0.397 | S | S | . | . | B | Isolated β-bridge | trans | 82 | -157.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I193 V199 | I193-G197 WeakPolarHBondContact CB-O 3.27Å; I193-G197 PolarHBondContact N-O 2.78Å; I193-G197 PolarHBondContact O-N 2.94Å; G197-V199 VanDerWaalsContact C-N 3.26Å; G197-V199 PolarHBondContact O-N 3.36Å |
| 198 | A | 87.5 | Confident | 85.6 | Confident | 54 Ų | 54 | 61.4 Ų | 61.4 | 45% | 0.446 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -21.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 199 | V | 90.5 | Very high | 87.3 | Confident | 56 Ų | 56 | 65 Ų | 65 | 34% | 0.339 | 38% | 0.383 | S | S | . | . | trans | -141 | 131.5 | -174.8 | -175.5 | 0 | 0 | 0 | 0 | 110 | Y182 W183 R184 G197 | Y182-V199 HydrophobicContact CD2-CG1 3.91Å; Y182-V199 HydrophobicContact CG-CG1 4.26Å; W183-V199 WeakPolarHBondContact O-CA 3.23Å; R184-V199 HydrophobicContact CG-CG2 4.19Å; G197-V199 VanDerWaalsContact C-N 3.26Å; G197-V199 PolarHBondContact O-N 3.36Å | ||
| 200 | K | 94 | Very high | 89.2 | Confident | 50 Ų | 50 | 59.2 Ų | 59.2 | 22% | 0.217 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 116.3 | 169.4 | 170.7 | 107.1 | -177.1 | 84.9 | 0 | 109.4 | Y182 W183 I193 F196 I205 | Y182-K200 CarbonylContact C-O 3.51Å; Y182-K200 VanDerWaalsContact CA-O 3.3Å; Y182-K200 WeakPolarHBondContact CA-O 3.3Å; W183-K200 HydrophobicContact CB-CB 4.26Å; W183-K200 PolarHBondContact N-O 3.28Å; W183-K200 PolarHBondContact O-N 3.44Å; I193-K200 HydrophobicContact CD1-CB 4.05Å; F196-K200 HydrophobicContact CB-CB 4.01Å; F196-K200 HydrophobicContact CB-CD 3.77Å; F196-K200 HydrophobicContact CD1-CD 3.11Å; F196-K200 HydrophobicContact CD2-CD 3.61Å; F196-K200 HydrophobicContact CE1-CD 3.41Å; F196-K200 VanDerWaalsContact CE1-CD 3.41Å; F196-K200 HydrophobicContact CE2-CD 3.88Å; F196-K200 HydrophobicContact CG-CB 4.31Å; F196-K200 HydrophobicContact CG-CD 3.19Å; F196-K200 HydrophobicContact CG-CG 4.35Å; F196-K200 HydrophobicContact CZ-CD 3.78Å; K200-I205 HydrophobicContact CD-CG1 4.49Å |
| 201 | S | 95 | Very high | 90.7 | Very high | 68 Ų | 68 | 61.1 Ų | 61.1 | 48% | 0.476 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 146.5 | 170.3 | -55.2 | 0 | 0 | 0 | 0 | 111.9 | ||
| 202 | G | 95.8 | Very high | 91.5 | Very high | 29 Ų | 29 | 58.2 Ų | 58.2 | 30% | 0.299 | 32% | 0.32 | S | S | . | . | S | Bend | trans | 113.9 | 163.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I181 W183 V204 | I181-G202 PolarHBondContact O-N 3.5Å; W183-G202 VanDerWaalsContact CD1-O 3.23Å; W183-G202 PolarHBondContact NE1-O 3.47Å; G202-V204 VanDerWaalsContact C-N 3.3Å; G202-V204 PolarHBondContact O-N 2.86Å |
| 203 | N | 96.4 | Very high | 91.7 | Very high | 73 Ų | 73 | 59.7 Ų | 59.7 | 39% | 0.39 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -75.1 | -17 | 178.7 | 61.6 | -35.6 | 0 | 0 | 0 | 113.5 | H170 C171 N172 I181 W183 | H170-N203 CarbonylContact C-O 3.52Å; H170-N203 WeakPolarHBondContact CA-O 3.4Å; C171-N203 PolarHBondContact N-O 2.83Å; C171-N203 WeakPolarHBondContact O-CA 3.45Å; C171-N203 WeakPolarHBondContact O-CB 3.4Å; N172-N203 PolarHBondContact OD1-ND2 2.77Å; I181-N203 HydrophobicContact CD1-CB 4.29Å; W183-N203 PolarHBondContact NE1-O 3.31Å |
| 204 | V | 96.4 | Very high | 92.1 | Very high | 41 Ų | 41 | 59.7 Ų | 59.7 | 25% | 0.248 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 132.1 | -177.4 | -171.8 | 0 | 0 | 0 | 0 | 111.4 | L169 H170 G202 | L169-V204 WeakPolarHBondContact O-CA 3.07Å; H170-V204 WeakPolarHBondContact ND1-CG2 3.46Å; G202-V204 VanDerWaalsContact C-N 3.3Å; G202-V204 PolarHBondContact O-N 2.86Å |
| 205 | I | 94.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 126.8 | 160.5 | -179.5 | 173.6 | 0 | 0 | 0 | 108.4 | S168 L169 W183 I193 F196 K200 F207 Y218 | S168-I205 CarbonylContact C-O 3.53Å; S168-I205 WeakPolarHBondContact CA-O 3.35Å; L169-I205 HydrophobicContact CB-CG2 3.54Å; L169-I205 HydrophobicContact CD1-CG2 3.96Å; L169-I205 HydrophobicContact CG-CG2 3.91Å; L169-I205 PolarHBondContact N-O 3.1Å; L169-I205 PolarHBondContact O-N 3.11Å; W183-I205 HydrophobicContact CD2-CG2 4.19Å; W183-I205 HydrophobicContact CG-CG2 4.41Å; I193-I205 HydrophobicContact CD1-CD1 4.3Å; I193-I205 HydrophobicContact CG2-CD1 3.26Å; I193-I205 HydrophobicContact CG2-CG1 4.48Å; F196-I205 HydrophobicContact CD2-CD1 4.25Å; F196-I205 HydrophobicContact CD2-CG1 4.3Å; F196-I205 HydrophobicContact CE2-CD1 4.31Å; F196-I205 HydrophobicContact CE2-CG1 3.94Å; K200-I205 HydrophobicContact CD-CG1 4.49Å; I205-F207 HydrophobicContact CD1-CE1 4.19Å; I205-F207 HydrophobicContact CD1-CE2 3.64Å; I205-F207 HydrophobicContact CD1-CZ 3.32Å; I205-F207 HydrophobicContact CG1-CD2 4.37Å; I205-F207 HydrophobicContact CG1-CE2 3.69Å; I205-F207 HydrophobicContact CG1-CZ 3.83Å; I205-F207 HydrophobicContact CG2-CE2 4.34Å; I205-Y218 HydrophobicContact CD1-CD1 4.24Å; I205-Y218 HydrophobicContact CD1-CE1 4.02Å |
| 206 | K | 95.2 | Very high | 92.8 | Very high | 109 Ų | 109 | 52.4 Ų | 52.4 | 47% | 0.474 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 131.1 | -178.5 | -172.6 | -179.3 | -172.7 | -131.7 | 0 | 109.6 | D208 | K206-D208 VanDerWaalsContact CE-OD1 3.27Å; K206-D208 WeakPolarHBondContact CE-OD1 3.41Å; K206-D208 IonicContact NZ-OD1 3.91Å; K206-D208 PolarHBondContact NZ-OD1 2.76Å |
| 207 | F | 94.7 | Very high | 93.2 | Very high | 7 Ų | 7 | 51.5 Ų | 51.5 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 117.9 | 169 | -56.4 | -91.3 | 0 | 0 | 0 | 106.8 | P166 V167 L169 I193 I205 D214 Y218 L235 | P166-F207 CarbonylContact C-O 3.55Å; P166-F207 VanDerWaalsContact CA-O 3.26Å; P166-F207 WeakPolarHBondContact CA-O 3.5Å; V167-F207 HydrophobicContact CG1-CB 3.91Å; V167-F207 HydrophobicContact CG1-CD2 3.81Å; V167-F207 HydrophobicContact CG1-CG 4.22Å; V167-F207 PolarHBondContact N-O 2.8Å; V167-F207 PolarHBondContact O-N 2.01Å; L169-F207 HydrophobicContact CD1-CE2 4.44Å; I193-F207 HydrophobicContact CG2-CZ 4.43Å; I205-F207 HydrophobicContact CD1-CE1 4.19Å; I205-F207 HydrophobicContact CD1-CE2 3.64Å; I205-F207 HydrophobicContact CD1-CZ 3.32Å; I205-F207 HydrophobicContact CG1-CD2 4.37Å; I205-F207 HydrophobicContact CG1-CE2 3.69Å; I205-F207 HydrophobicContact CG1-CZ 3.83Å; I205-F207 HydrophobicContact CG2-CE2 4.34Å; F207-D214 HydrophobicContact CD1-CB 4.49Å; F207-D214 HydrophobicContact CE1-CB 4.31Å; F207-Y218 AromaticContact CZ-CE1 3.8Å; F207-Y218 HydrophobicContact CZ-CE1 3.8Å; F207-Y218 AromaticContact CZ-CZ 3.72Å; F207-Y218 WeakPolarHBondContact CZ-OH 3.29Å; F207-L235 HydrophobicContact CE2-CD2 4.25Å |
| 208 | D | 94.8 | Very high | 93.4 | Very high | 105 Ų | 105 | 50 Ų | 50 | 56% | 0.561 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -75.4 | -30.5 | 179.1 | -66.9 | -43.8 | 0 | 0 | 0 | 111.8 | P166 K206 | P166-D208 WeakPolarHBondContact CA-O 3.48Å; P166-D208 WeakPolarHBondContact CB-O 3.3Å; K206-D208 VanDerWaalsContact CE-OD1 3.27Å; K206-D208 WeakPolarHBondContact CE-OD1 3.41Å; K206-D208 IonicContact NZ-OD1 3.91Å; K206-D208 PolarHBondContact NZ-OD1 2.76Å |
| 209 | Q | 95.3 | Very high | 93.7 | Very high | 132 Ų | 132 | 48.7 Ų | 48.7 | 62% | 0.617 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -142.3 | 110.4 | 171.9 | -67.3 | -175.3 | -24.1 | 0 | 0 | 108.2 | R194 | R194-Q209 PolarHBondContact NH2-O 2.8Š|
| 210 | V | 95.2 | Very high | 94 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | -77.7 | 140.1 | -179.4 | 73.5 | 0 | 0 | 0 | 0 | 111.5 | V161 D162 S163 G164 D165 V167 D214 L235 V237 | V161-V210 HydrophobicContact CG1-CB 4.45Å; V161-V210 HydrophobicContact CG1-CG1 3.79Å; V161-V210 HydrophobicContact CG1-CG2 4.26Å; V161-V210 HydrophobicContact CG2-CG1 4.08Å; D162-V210 WeakPolarHBondContact O-CG1 3.49Å; S163-V210 CarbonylContact C-O 3.52Å; S163-V210 WeakPolarHBondContact CA-O 3.35Å; S163-V210 PolarHBondContact OG-O 2.94Å; G164-V210 PolarHBondContact N-O 3.01Å; D165-V210 WeakPolarHBondContact O-CG1 3.19Å; D165-V210 PolarHBondContact O-N 2.92Å; V167-V210 HydrophobicContact CG1-CB 4.18Å; V167-V210 HydrophobicContact CG1-CG2 4.22Å; V210-D214 HydrophobicContact CG2-CB 3.83Å; V210-L235 HydrophobicContact CG2-CD2 4.07Å; V210-V237 HydrophobicContact CG1-CG1 3.99Å; V210-V237 HydrophobicContact CG2-CB 4.49Å; V210-V237 HydrophobicContact CG2-CG1 4.21Å; V210-V237 HydrophobicContact CG2-CG2 3.47Å; V210-V237 VanDerWaalsContact CG2-CG2 3.47Å | ||
| 211 | E | 93.3 | Very high | 94.1 | Very high | 82 Ų | 82 | 45.7 Ų | 45.7 | 38% | 0.383 | 25% | 0.253 | S | S | . | . | trans | -116.3 | 161.2 | 176.6 | -72 | 172.4 | -161.5 | 0 | 0 | 111 | R194 D213 D214 | R194-E211 IonicContact CZ-OE1 4Å; R194-E211 IonicContact CZ-OE2 3.83Å; R194-E211 IonicContact NH1-OE1 2.94Å; R194-E211 PolarHBondContact NH1-OE1 2.91Å; R194-E211 IonicContact NH1-OE2 3.33Å; R194-E211 PolarHBondContact NH1-OE2 3.18Å; E211-D213 PolarHBondContact O-N 3.47Å; E211-D213 VanDerWaalsContact O-N 3.11Å; E211-D214 PolarHBondContact N-OD2 3.33Å; E211-D214 WeakPolarHBondContact O-CB 3.2Å; E211-D214 PolarHBondContact O-N 3.02Å | ||
| 212 | A | 91.3 | Very high | 94.3 | Very high | 18 Ų | 18 | 42.4 Ų | 42.4 | 15% | 0.149 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -52.1 | -35.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D214 A215 I242 | A212-D214 VanDerWaalsContact C-N 3.27Å; A212-D214 PolarHBondContact O-N 2.96Å; A212-A215 VanDerWaalsContact O-CB 3.24Å; A212-A215 WeakPolarHBondContact O-CB 3.43Å; A212-A215 PolarHBondContact O-N 2.9Å; A212-A215 VanDerWaalsContact O-N 3.16Å; A212-I242 HydrophobicContact CB-CD1 4.09Å |
| 213 | D | 89.5 | Confident | 94.4 | Very high | 121 Ų | 121 | 45.1 Ų | 45.1 | 65% | 0.647 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -74.4 | -11.7 | 179.3 | -73.6 | -9.8 | 0 | 0 | 0 | 113.9 | R185 E211 A215 | R185-D213 VanDerWaalsContact CZ-O 3.25Å; R185-D213 PolarHBondContact NH1-O 2.78Å; R185-D213 PolarHBondContact NH2-O 2.94Å; E211-D213 PolarHBondContact O-N 3.47Å; E211-D213 VanDerWaalsContact O-N 3.11Å; D213-A215 VanDerWaalsContact C-N 3.33Å |
| 214 | D | 91.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -81 | -15.5 | 170.3 | -62 | -43.7 | 0 | 0 | 0 | 111.7 | R194 F207 V210 E211 A212 G216 Y218 L235 | R194-D214 WeakPolarHBondContact CB-OD1 3.48Å; R194-D214 IonicContact CZ-OD1 2.77Å; R194-D214 IonicContact CZ-OD2 2.73Å; R194-D214 IonicContact NE-OD1 3.87Å; R194-D214 PolarHBondContact NE-OD1 2.85Å; R194-D214 IonicContact NE-OD2 3.77Å; R194-D214 PolarHBondContact NE-OD2 3.41Å; R194-D214 IonicContact NH2-OD1 3.98Å; R194-D214 IonicContact NH2-OD2 2.71Å; R194-D214 PolarHBondContact NH2-OD2 2.78Å; F207-D214 HydrophobicContact CD1-CB 4.49Å; F207-D214 HydrophobicContact CE1-CB 4.31Å; V210-D214 HydrophobicContact CG2-CB 3.83Å; E211-D214 PolarHBondContact N-OD2 3.33Å; E211-D214 WeakPolarHBondContact O-CB 3.2Å; E211-D214 PolarHBondContact O-N 3.02Å; A212-D214 VanDerWaalsContact C-N 3.27Å; A212-D214 PolarHBondContact O-N 2.96Å; D214-G216 PolarHBondContact O-N 2.89Å; D214-Y218 WeakPolarHBondContact O-CE2 3.41Å; D214-Y218 PolarHBondContact O-OH 2.92Å; D214-L235 HydrophobicContact CB-CD2 4.44Å |
| 215 | A | 91.9 | Very high | 94.2 | Very high | 32 Ų | 32 | 44.9 Ų | 44.9 | 26% | 0.264 | 24% | 0.239 | S | C | . | . | trans | -60.5 | 132.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R185 A212 D213 L235 V237 | R185-A215 PolarHBondContact NH2-O 3.16Å; A212-A215 VanDerWaalsContact O-CB 3.24Å; A212-A215 WeakPolarHBondContact O-CB 3.43Å; A212-A215 PolarHBondContact O-N 2.9Å; A212-A215 VanDerWaalsContact O-N 3.16Å; D213-A215 VanDerWaalsContact C-N 3.33Å; A215-L235 CarbonylContact C-O 3.55Å; A215-L235 WeakPolarHBondContact CA-O 3.48Å; A215-V237 HydrophobicContact CB-CB 4.07Å; A215-V237 HydrophobicContact CB-CG2 3.85Å | ||
| 216 | G | 91.8 | Very high | 94.1 | Very high | 22 Ų | 22 | 47.6 Ų | 47.6 | 23% | 0.227 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.3 | -166.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | D214 R234 L235 | D214-G216 PolarHBondContact O-N 2.89Å; G216-R234 CarbonylContact O-C 3.59Å; G216-R234 WeakPolarHBondContact O-CA 3.32Å; G216-L235 PolarHBondContact N-O 3.47Å; G216-L235 PolarHBondContact O-N 2.86Å |
| 217 | E | 93.2 | Very high | 94.1 | Very high | 49 Ų | 49 | 43.9 Ų | 43.9 | 23% | 0.229 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 125.7 | 178.1 | -173.1 | 168.5 | 110.3 | 0 | 0 | 110.9 | R185 T186 R232 | R185-E217 CarbonylContact C-O 3.53Å; R185-E217 WeakPolarHBondContact CA-O 3.37Å; R185-E217 WeakPolarHBondContact CG-O 3.32Å; T186-E217 PolarHBondContact N-O 2.95Å; E217-R232 VanDerWaalsContact CD-CD 3.42Å; E217-R232 HydrophobicContact CG-CG 3.59Å; E217-R232 VanDerWaalsContact OE2-CD 3.23Å; E217-R232 WeakPolarHBondContact OE2-CD 3.44Å; E217-R232 IonicContact OE2-CZ 3.34Å; E217-R232 IonicContact OE2-NE 3.58Å; E217-R232 IonicContact OE2-NH1 3.03Å; E217-R232 PolarHBondContact OE2-NH1 3.35Å |
| 218 | Y | 93.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 130.1 | 176.2 | -66.7 | -94.7 | 0 | 0 | 0 | 108.9 | L169 R184 R185 I193 I205 F207 D214 V233 L235 | L169-Y218 HydrophobicContact CD1-CD2 3.95Å; L169-Y218 HydrophobicContact CD1-CG 3.94Å; R184-Y218 CarbonylContact O-C 3.59Å; R184-Y218 WeakPolarHBondContact O-CA 3.36Å; R185-Y218 HydrophobicContact CG-CE1 4.43Å; I193-Y218 HydrophobicContact CG1-CE1 4.36Å; I193-Y218 HydrophobicContact CG2-CE1 4.21Å; I205-Y218 HydrophobicContact CD1-CD1 4.24Å; I205-Y218 HydrophobicContact CD1-CE1 4.02Å; F207-Y218 AromaticContact CZ-CE1 3.8Å; F207-Y218 HydrophobicContact CZ-CE1 3.8Å; F207-Y218 AromaticContact CZ-CZ 3.72Å; F207-Y218 WeakPolarHBondContact CZ-OH 3.29Å; D214-Y218 WeakPolarHBondContact O-CE2 3.41Å; D214-Y218 PolarHBondContact O-OH 2.92Å; Y218-V233 PolarHBondContact N-O 3.31Å; Y218-V233 PolarHBondContact O-N 3.1Å; Y218-L235 HydrophobicContact CD2-CB 4.03Å; Y218-L235 HydrophobicContact CE2-CB 3.83Å; Y218-L235 HydrophobicContact CE2-CD2 3.99Å |
| 219 | M | 94.4 | Very high | 94.3 | Very high | 27 Ų | 27 | 47.8 Ų | 47.8 | 13% | 0.133 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 118.5 | 177.6 | -168.8 | 67.3 | 62.3 | 0 | 0 | 108.9 | W183 R184 Y221 L230 R232 | W183-M219 CarbonylContact C-O 3.48Å; W183-M219 WeakPolarHBondContact CA-O 3.08Å; R184-M219 PolarHBondContact N-O 2.84Å; R184-M219 PolarHBondContact O-N 2.84Å; M219-Y221 HydrophobicContact CB-CD2 4.48Å; M219-Y221 HydrophobicContact CB-CE2 3.72Å; M219-Y221 HydrophobicContact CG-CD2 4.13Å; M219-Y221 HydrophobicContact CG-CE2 3.45Å; M219-Y221 VanDerWaalsContact CG-CE2 3.45Å; M219-Y221 WeakPolarHBondContact O-CD2 3.47Å; M219-L230 HydrophobicContact CG-CD2 4.5Å; M219-L230 HydrophobicContact SD-CB 4.02Å; M219-R232 HydrophobicContact CE-CB 3.9Å; M219-R232 HydrophobicContact CE-CG 3.97Å; M219-R232 HydrophobicContact SD-CB 4.12Å |
| 220 | C | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 138.1 | 166.4 | 174.3 | 0 | 0 | 0 | 0 | 109.8 | C171 I181 Y182 W183 L230 W231 | C171-C220 HydrophobicContact CB-CB 3.49Å; C171-C220 VanDerWaalsContact CB-CB 3.49Å; C171-C220 WeakPolarHBondContact CB-SG 3.42Å; C171-C220 WeakPolarHBondContact SG-CB 3.5Å; C171-C220 CovalentContact SG-SG 2.01Å; C171-C220 PolarHBondContact SG-SG 3.03Å; I181-C220 WeakPolarHBondContact CG2-SG 3.42Å; Y182-C220 CarbonylContact O-C 3.53Å; W183-C220 HydrophobicContact CD2-CB 3.88Å; W183-C220 HydrophobicContact CE3-CB 3.69Å; W183-C220 HydrophobicContact CH2-CB 3.81Å; W183-C220 HydrophobicContact CZ2-CB 3.99Å; W183-C220 HydrophobicContact CZ3-CB 3.65Å; C220-L230 CarbonylContact O-C 3.56Å; C220-L230 WeakPolarHBondContact O-CA 3.42Å; C220-W231 HydrophobicContact CB-CB 4.13Å; C220-W231 PolarHBondContact N-O 2.84Å; C220-W231 PolarHBondContact O-N 3.16Å |
| 221 | Y | 96.7 | Very high | 94.4 | Very high | 43 Ų | 43 | 46.5 Ų | 46.5 | 17% | 0.169 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 126.7 | 174.5 | -65.1 | -103.9 | 0 | 0 | 0 | 108.1 | I181 Y182 R184 M219 L230 | I181-Y221 CarbonylContact C-O 3.49Å; I181-Y221 VanDerWaalsContact CA-O 3.26Å; I181-Y221 WeakPolarHBondContact CA-O 3.34Å; Y182-Y221 AromaticContact CD2-CD2 3.9Å; Y182-Y221 HydrophobicContact CD2-CD2 3.9Å; Y182-Y221 HydrophobicContact CD2-CG 4.03Å; Y182-Y221 HydrophobicContact CE1-CG 4.36Å; Y182-Y221 AromaticContact CE2-CD1 3.98Å; Y182-Y221 HydrophobicContact CE2-CD1 3.98Å; Y182-Y221 AromaticContact CE2-CD2 3.54Å; Y182-Y221 HydrophobicContact CE2-CD2 3.54Å; Y182-Y221 HydrophobicContact CE2-CE2 4.34Å; Y182-Y221 AromaticContact CE2-CG 3.36Å; Y182-Y221 HydrophobicContact CE2-CG 3.36Å; Y182-Y221 AromaticContact CZ-CD1 3.95Å; Y182-Y221 AromaticContact CZ-CG 3.57Å; Y182-Y221 PolarHBondContact N-O 2.83Å; Y182-Y221 PolarHBondContact O-N 2.98Å; R184-Y221 HydrophobicContact CB-CE2 3.95Å; R184-Y221 HydrophobicContact CG-CD2 4.28Å; R184-Y221 HydrophobicContact CG-CE2 3.9Å; M219-Y221 HydrophobicContact CB-CD2 4.48Å; M219-Y221 HydrophobicContact CB-CE2 3.72Å; M219-Y221 HydrophobicContact CG-CD2 4.13Å; M219-Y221 HydrophobicContact CG-CE2 3.45Å; M219-Y221 VanDerWaalsContact CG-CE2 3.45Å; M219-Y221 WeakPolarHBondContact O-CD2 3.47Å; Y221-L230 HydrophobicContact CD1-CD2 3.06Å; Y221-L230 HydrophobicContact CD2-CD2 4.46Å; Y221-L230 HydrophobicContact CE1-CD2 3.24Å; Y221-L230 HydrophobicContact CG-CD2 3.72Å |
| 222 | A | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 118 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | P148 I150 A173 P179 I181 R228 A229 | P148-A222 HydrophobicContact CB-CB 4.1Å; P148-A222 WeakPolarHBondContact CB-O 3.34Å; I150-A222 HydrophobicContact CD1-CB 3.73Å; A173-A222 HydrophobicContact CB-CB 3.39Å; P179-A222 HydrophobicContact CB-CB 4.09Å; P179-A222 HydrophobicContact CG-CB 4.45Å; I181-A222 HydrophobicContact CG1-CB 4.23Å; A222-R228 CarbonylContact O-C 3.55Å; A222-R228 VanDerWaalsContact O-CA 3.27Å; A222-R228 WeakPolarHBondContact O-CA 3.33Å; A222-A229 PolarHBondContact N-O 2.73Å; A222-A229 PolarHBondContact O-N 3.23Å |
| 223 | E | 97.3 | Very high | 94.7 | Very high | 86 Ų | 86 | 46.3 Ų | 46.3 | 40% | 0.402 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 133.2 | -169 | -173 | 167.2 | -169.7 | 0 | 0 | 111.9 | P179 F180 Y182 R228 | P179-E223 CarbonylContact C-O 3.53Å; P179-E223 VanDerWaalsContact CA-O 3.32Å; P179-E223 WeakPolarHBondContact CA-O 3.14Å; F180-E223 PolarHBondContact N-O 3.4Å; F180-E223 PolarHBondContact O-N 2.71Å; Y182-E223 HydrophobicContact CE1-CB 4.49Å; Y182-E223 PolarHBondContact OH-OE2 2.99Å; Y182-E223 VanDerWaalsContact OH-OE2 3.1Å; E223-R228 HydrophobicContact CB-CB 4.49Å; E223-R228 HydrophobicContact CG-CB 4.39Å |
| 224 | N | 95.9 | Very high | 94.9 | Very high | 20 Ų | 20 | 46.3 Ų | 46.3 | 11% | 0.107 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | -178.6 | 169.4 | 73.4 | 8.3 | 0 | 0 | 0 | 109.7 | A146 P148 P177 P179 M226 G227 | A146-N224 PolarHBondContact O-ND2 2.82Å; P148-N224 VanDerWaalsContact CD-OD1 3.23Å; P148-N224 WeakPolarHBondContact CD-OD1 3.31Å; P148-N224 HydrophobicContact CG-CB 4.15Å; P148-N224 WeakPolarHBondContact CG-OD1 3.05Å; P177-N224 WeakPolarHBondContact O-CB 3.42Å; P177-N224 PolarHBondContact O-ND2 2.8Å; P179-N224 HydrophobicContact CB-CB 4.5Å; N224-M226 PolarHBondContact O-N 2.91Å; N224-M226 WeakPolarHBondContact OD1-CA 3.5Å; N224-M226 VanDerWaalsContact OD1-CB 3.29Å; N224-M226 WeakPolarHBondContact OD1-CB 3.45Å; N224-M226 PolarHBondContact OD1-N 2.56Å; N224-G227 PolarHBondContact N-O 2.86Å; N224-G227 PolarHBondContact O-N 3.16Å; N224-G227 VanDerWaalsContact O-N 3.16Å; N224-G227 PolarHBondContact OD1-N 2.78Å; N224-G227 VanDerWaalsContact OD1-N 3.16Å |
| 225 | S | 94.3 | Very high | 95.1 | Very high | 89 Ų | 89 | 46.3 Ų | 46.3 | 62% | 0.622 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -12.2 | 179.5 | 54.9 | 0 | 0 | 0 | 0 | 114.7 | P177 | P177-S225 WeakPolarHBondContact CD-OG 3.32Š|
| 226 | M | 92.2 | Very high | 95.2 | Very high | 57 Ų | 57 | 49.2 Ų | 49.2 | 28% | 0.281 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -13.4 | -179.9 | -56.8 | -61.7 | 118.4 | 0 | 0 | 113.2 | L49 F145 K147 N224 | L49-M226 HydrophobicContact CD2-CB 4.17Å; L49-M226 HydrophobicContact CD2-CG 4.04Å; L49-M226 HydrophobicContact CD2-SD 3.79Å; F145-M226 HydrophobicContact CB-CE 4.29Å; F145-M226 HydrophobicContact CB-CG 3.63Å; F145-M226 HydrophobicContact CB-SD 3.53Å; F145-M226 VanDerWaalsContact CB-SD 3.53Å; F145-M226 HydrophobicContact CD1-CE 3.93Å; F145-M226 HydrophobicContact CD1-SD 4.3Å; F145-M226 HydrophobicContact CD2-SD 4.43Å; F145-M226 HydrophobicContact CE1-CE 4.37Å; F145-M226 HydrophobicContact CG-CE 4Å; F145-M226 HydrophobicContact CG-CG 4.33Å; F145-M226 HydrophobicContact CG-SD 3.85Å; K147-M226 HydrophobicContact CG-CB 4.08Å; N224-M226 PolarHBondContact O-N 2.91Å; N224-M226 WeakPolarHBondContact OD1-CA 3.5Å; N224-M226 VanDerWaalsContact OD1-CB 3.29Å; N224-M226 WeakPolarHBondContact OD1-CB 3.45Å; N224-M226 PolarHBondContact OD1-N 2.56Å |
| 227 | G | 94.8 | Very high | 95.4 | Very high | 30 Ų | 30 | 48.3 Ų | 48.3 | 31% | 0.309 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 154.6 | -160.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | P148 N224 | P148-G227 WeakPolarHBondContact CD-O 3.39Å; P148-G227 VanDerWaalsContact CG-O 3.3Å; P148-G227 WeakPolarHBondContact CG-O 3.44Å; N224-G227 PolarHBondContact N-O 2.86Å; N224-G227 PolarHBondContact O-N 3.16Å; N224-G227 VanDerWaalsContact O-N 3.16Å; N224-G227 PolarHBondContact OD1-N 2.78Å; N224-G227 VanDerWaalsContact OD1-N 3.16Å |
| 228 | R | 96.4 | Very high | 95.6 | Very high | 175 Ų | 175 | 50.2 Ų | 50.2 | 66% | 0.66 | 24% | 0.236 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -137 | 145.8 | -179.2 | 69.4 | -177.2 | -175 | -174.3 | 0.1 | 111.5 | A222 E223 | A222-R228 CarbonylContact O-C 3.55Å; A222-R228 VanDerWaalsContact O-CA 3.27Å; A222-R228 WeakPolarHBondContact O-CA 3.33Å; E223-R228 HydrophobicContact CB-CB 4.49Å; E223-R228 HydrophobicContact CG-CB 4.39Å |
| 229 | A | 97.7 | Very high | 95.8 | Very high | 19 Ų | 19 | 50.9 Ų | 50.9 | 16% | 0.157 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 151.1 | 167 | 0 | 0 | 0 | 0 | 0 | 110.3 | P148 I150 A222 | P148-A229 HydrophobicContact CB-CB 4.13Å; P148-A229 WeakPolarHBondContact O-CB 3.44Å; I150-A229 HydrophobicContact CD1-CB 4.1Å; I150-A229 HydrophobicContact CG1-CB 3.89Å; A222-A229 PolarHBondContact N-O 2.73Å; A222-A229 PolarHBondContact O-N 3.23Å |
| 230 | L | 96 | Very high | 96 | Very high | 77 Ų | 77 | 51.4 Ų | 51.4 | 40% | 0.403 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 143.2 | -173.4 | -58.1 | 175 | 0 | 0 | 0 | 110.2 | M219 C220 Y221 | M219-L230 HydrophobicContact CG-CD2 4.5Å; M219-L230 HydrophobicContact SD-CB 4.02Å; C220-L230 CarbonylContact O-C 3.56Å; C220-L230 WeakPolarHBondContact O-CA 3.42Å; Y221-L230 HydrophobicContact CD1-CD2 3.06Å; Y221-L230 HydrophobicContact CD2-CD2 4.46Å; Y221-L230 HydrophobicContact CE1-CD2 3.24Å; Y221-L230 HydrophobicContact CG-CD2 3.72Å |
| 231 | W | 96.6 | Very high | 96.1 | Very high | 28 Ų | 28 | 51.7 Ų | 51.7 | 11% | 0.106 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 125.2 | 173.8 | -165.6 | -110.7 | 0 | 0 | 0 | 111.5 | I150 R152 S156 Y157 C220 | I150-W231 HydrophobicContact CB-CE3 4.36Å; I150-W231 HydrophobicContact CD1-CB 4.33Å; I150-W231 HydrophobicContact CG1-CB 4.12Å; I150-W231 HydrophobicContact CG2-CB 3.96Å; I150-W231 HydrophobicContact CG2-CD2 3.84Å; I150-W231 HydrophobicContact CG2-CE3 3.9Å; I150-W231 HydrophobicContact CG2-CG 3.88Å; R152-W231 HydrophobicContact CB-CH2 4.11Å; R152-W231 HydrophobicContact CB-CZ2 4.46Å; R152-W231 HydrophobicContact CG-CH2 3.72Å; R152-W231 HydrophobicContact CG-CZ2 4.46Å; R152-W231 HydrophobicContact CG-CZ3 3.8Å; S156-W231 PolarHBondContact O-NE1 3.27Å; Y157-W231 HydrophobicContact CD1-CZ2 4.01Å; Y157-W231 HydrophobicContact CE1-CH2 4.04Å; Y157-W231 AromaticContact CE1-CZ2 3.67Å; Y157-W231 HydrophobicContact CE1-CZ2 3.67Å; Y157-W231 AromaticContact CZ-CZ2 3.95Å; C220-W231 HydrophobicContact CB-CB 4.13Å; C220-W231 PolarHBondContact N-O 2.84Å; C220-W231 PolarHBondContact O-N 3.16Å |
| 232 | R | 94.9 | Very high | 96.1 | Very high | 96 Ų | 96 | 53 Ų | 53 | 36% | 0.362 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 131 | -175 | -173.9 | -161.3 | 77.7 | 76.5 | 10.8 | 109.9 | D158 E217 M219 | D158-R232 IonicContact OD1-CZ 3.23Å; D158-R232 IonicContact OD1-NH1 3.57Å; D158-R232 IonicContact OD1-NH2 3.64Å; D158-R232 PolarHBondContact OD1-NH2 2.92Å; D158-R232 IonicContact OD2-CZ 3.34Å; D158-R232 IonicContact OD2-NH1 2.72Å; D158-R232 IonicContact OD2-NH2 3.11Å; D158-R232 PolarHBondContact OD2-NH2 3.18Å; E217-R232 VanDerWaalsContact CD-CD 3.42Å; E217-R232 HydrophobicContact CG-CG 3.59Å; E217-R232 VanDerWaalsContact OE2-CD 3.23Å; E217-R232 WeakPolarHBondContact OE2-CD 3.44Å; E217-R232 IonicContact OE2-CZ 3.34Å; E217-R232 IonicContact OE2-NE 3.58Å; E217-R232 IonicContact OE2-NH1 3.03Å; E217-R232 PolarHBondContact OE2-NH1 3.35Å; M219-R232 HydrophobicContact CE-CB 3.9Å; M219-R232 HydrophobicContact CE-CG 3.97Å; M219-R232 HydrophobicContact SD-CB 4.12Å |
| 233 | V | 95.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 119.1 | 175.9 | -178.6 | 0 | 0 | 0 | 0 | 109.1 | S156 Y157 L169 W183 Y218 | S156-V233 WeakPolarHBondContact O-CG2 3.34Å; Y157-V233 VanDerWaalsContact O-CG1 3.3Å; Y157-V233 WeakPolarHBondContact O-CG1 3.42Å; L169-V233 HydrophobicContact CD1-CG1 4.14Å; L169-V233 HydrophobicContact CD2-CG1 4.08Å; W183-V233 HydrophobicContact CH2-CG2 4.08Å; W183-V233 HydrophobicContact CZ3-CB 4.44Å; W183-V233 HydrophobicContact CZ3-CG2 4.12Å; Y218-V233 PolarHBondContact N-O 3.31Å; Y218-V233 PolarHBondContact O-N 3.1Å |
| 234 | R | 94.3 | Very high | 96.1 | Very high | 121 Ų | 121 | 57.5 Ų | 57.5 | 46% | 0.457 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 120.5 | 168.6 | 177.1 | 175.8 | -89.6 | 175.5 | -7.3 | 109.5 | D158 T159 G216 Q236 | D158-R234 CarbonylContact C-O 3.54Å; D158-R234 VanDerWaalsContact CA-O 3.3Å; D158-R234 WeakPolarHBondContact CA-O 3.47Å; D158-R234 HydrophobicContact CB-CB 4.36Å; D158-R234 PolarHBondContact OD1-N 2.84Å; T159-R234 PolarHBondContact N-O 2.82Å; G216-R234 CarbonylContact O-C 3.59Å; G216-R234 WeakPolarHBondContact O-CA 3.32Å; R234-Q236 HydrophobicContact CG-CG 4.15Å |
| 235 | L | 95 | Very high | 96.2 | Very high | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 116 | 169.3 | -177.9 | 60.6 | 0 | 0 | 0 | 108.7 | T159 V161 V167 F207 V210 D214 A215 G216 Y218 V237 | T159-L235 HydrophobicContact CG2-CD1 4.23Å; V161-L235 HydrophobicContact CG1-CD1 3.69Å; V167-L235 HydrophobicContact CG1-CD1 4.31Å; V167-L235 HydrophobicContact CG1-CD2 4.4Å; V167-L235 HydrophobicContact CG2-CD1 4.3Å; F207-L235 HydrophobicContact CE2-CD2 4.25Å; V210-L235 HydrophobicContact CG2-CD2 4.07Å; D214-L235 HydrophobicContact CB-CD2 4.44Å; A215-L235 CarbonylContact C-O 3.55Å; A215-L235 WeakPolarHBondContact CA-O 3.48Å; G216-L235 PolarHBondContact N-O 3.47Å; G216-L235 PolarHBondContact O-N 2.86Å; Y218-L235 HydrophobicContact CD2-CB 4.03Å; Y218-L235 HydrophobicContact CE2-CB 3.83Å; Y218-L235 HydrophobicContact CE2-CD2 3.99Å; L235-V237 HydrophobicContact CD2-CG2 4.41Å; L235-V237 HydrophobicContact CG-CG2 4.11Å |
| 236 | Q | 94.4 | Very high | 96.3 | Very high | 93 Ų | 93 | 57.2 Ų | 57.2 | 44% | 0.435 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 132.6 | 168.9 | -66.7 | -173.5 | -28.6 | 0 | 0 | 108.6 | T159 D160 V161 R234 | T159-Q236 PolarHBondContact O-N 3.07Å; D160-Q236 WeakPolarHBondContact CA-O 3.43Å; D160-Q236 HydrophobicContact CB-CB 4.45Å; V161-Q236 PolarHBondContact N-O 3.15Å; R234-Q236 HydrophobicContact CG-CG 4.15Å |
| 237 | V | 96.5 | Very high | 96.5 | Very high | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 117.2 | 179 | -175 | 0 | 0 | 0 | 0 | 107.7 | V161 V210 A215 L235 N267 | V161-V237 HydrophobicContact CG1-CG2 4.35Å; V161-V237 CarbonylContact O-C 3.16Å; V161-V237 VanDerWaalsContact O-CA 3.3Å; V161-V237 WeakPolarHBondContact O-CA 3.2Å; V210-V237 HydrophobicContact CG1-CG1 3.99Å; V210-V237 HydrophobicContact CG2-CB 4.49Å; V210-V237 HydrophobicContact CG2-CG1 4.21Å; V210-V237 HydrophobicContact CG2-CG2 3.47Å; V210-V237 VanDerWaalsContact CG2-CG2 3.47Å; A215-V237 HydrophobicContact CB-CB 4.07Å; A215-V237 HydrophobicContact CB-CG2 3.85Å; L235-V237 HydrophobicContact CD2-CG2 4.41Å; L235-V237 HydrophobicContact CG-CG2 4.11Å; V237-N267 WeakPolarHBondContact O-CB 3.36Å; V237-N267 PolarHBondContact O-ND2 3.11Å |
| 238 | R | 98 | Very high | 96.4 | Very high | 88 Ų | 88 | 60.7 Ų | 60.7 | 33% | 0.332 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 138 | 174.2 | -46.5 | -174 | -57.8 | -157 | 2 | 109 | D160 V161 D162 S163 N267 L329 | D160-R238 WeakPolarHBondContact OD1-CG 3.42Å; D160-R238 WeakPolarHBondContact OD2-CD 3.42Å; D160-R238 IonicContact OD2-NH1 3.72Å; V161-R238 PolarHBondContact O-N 2.79Å; D162-R238 CarbonylContact C-O 3.59Å; D162-R238 WeakPolarHBondContact OD1-CB 3.45Å; D162-R238 IonicContact OD1-CZ 3.15Å; D162-R238 IonicContact OD1-NE 3.47Å; D162-R238 PolarHBondContact OD1-NE 3.04Å; D162-R238 IonicContact OD1-NH2 2.81Å; D162-R238 PolarHBondContact OD1-NH2 3.48Å; D162-R238 IonicContact OD2-CZ 3.93Å; D162-R238 IonicContact OD2-NH2 2.88Å; D162-R238 PolarHBondContact OD2-NH2 3.35Å; S163-R238 WeakPolarHBondContact CB-O 3.17Å; S163-R238 PolarHBondContact N-O 2.96Å; R238-N267 CarbonylContact C-O 3.52Å; R238-N267 WeakPolarHBondContact CA-O 3.3Å; R238-N267 WeakPolarHBondContact CB-O 3.27Å; R238-L329 HydrophobicContact CB-CD1 3.59Å |
| 239 | H | 97.6 | Very high | 96.1 | Very high | 14 Ų | 14 | 59.1 Ų | 59.1 | 7% | 0.065 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 154 | -179.1 | 59.4 | 93.3 | 0 | 0 | 0 | 110.7 | N265 N267 N327 L329 | H239-N265 PolarHBondContact CE1-O 3.33Å; H239-N267 PolarHBondContact N-O 2.6Å; H239-N267 PolarHBondContact O-N 3.24Å; H239-N327 PolarHBondContact O-ND2 3.49Å; H239-L329 VanDerWaalsContact N-CD1 3.32Å |
| 240 | A | 97.4 | Very high | 95.9 | Very high | 38 Ų | 38 | 58.2 Ų | 58.2 | 31% | 0.314 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 159.6 | 166 | 0 | 0 | 0 | 0 | 0 | 110.1 | L329 | A240-L329 HydrophobicContact CB-CB 4.33Å |
| 241 | P | 98.1 | Very high | 95.6 | Very high | 6 Ų | 6 | 59.8 Ų | 59.8 | 4% | 0.039 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 148 | -175.6 | -17.5 | 30.5 | 0 | 0 | 0 | 111.5 | V243 I264 N265 A266 V270 A325 N327 G330 I332 | P241-V243 HydrophobicContact CB-CG2 4.5Å; P241-I264 HydrophobicContact CB-CG2 3.85Å; P241-N265 CarbonylContact C-O 3.47Å; P241-N265 WeakPolarHBondContact CA-O 3.5Å; P241-A266 HydrophobicContact CB-CB 3.89Å; P241-A266 HydrophobicContact CG-CB 4.06Å; P241-V270 HydrophobicContact CB-CG2 4.1Å; P241-V270 HydrophobicContact CG-CG2 3.72Å; P241-A325 HydrophobicContact CB-CB 4.07Å; P241-A325 HydrophobicContact CG-CB 4.33Å; P241-N327 HydrophobicContact CG-CB 4.38Å; P241-G330 WeakPolarHBondContact CD-O 3.33Å; P241-I332 HydrophobicContact CB-CG2 3.81Å; P241-I332 HydrophobicContact CG-CG2 4.47Å; P241-I332 WeakPolarHBondContact O-CG2 3.02Å |
| 242 | I | 97.3 | Very high | 95.4 | Very high | 71 Ų | 71 | 60.3 Ų | 60.3 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 115.6 | 171 | -58.6 | 169.8 | 0 | 0 | 0 | 105.9 | A212 I264 N265 | A212-I242 HydrophobicContact CB-CD1 4.09Å; I242-I264 WeakPolarHBondContact O-CA 3.24Å; I242-N265 HydrophobicContact CB-CB 4.47Å; I242-N265 PolarHBondContact N-O 3.22Å; I242-N265 PolarHBondContact O-N 2.76Å |
| 243 | V | 97.6 | Very high | 95 | Very high | 18 Ų | 18 | 58.3 Ų | 58.3 | 11% | 0.109 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 130.5 | -172.6 | 177.1 | 0 | 0 | 0 | 0 | 110.5 | P241 C262 V263 I264 C323 A325 I332 A334 | P241-V243 HydrophobicContact CB-CG2 4.5Å; V243-C262 WeakPolarHBondContact CG1-SG 3.44Å; V243-V263 WeakPolarHBondContact CA-O 3.24Å; V243-I264 HydrophobicContact CG2-CG1 4.21Å; V243-I264 HydrophobicContact CG2-CG2 4.24Å; V243-C323 HydrophobicContact CG1-CB 4.22Å; V243-A325 HydrophobicContact CG2-CB 3.82Å; V243-I332 HydrophobicContact CB-CG2 4.13Å; V243-I332 HydrophobicContact CG2-CG2 3.4Å; V243-A334 HydrophobicContact CB-CB 4.28Å; V243-A334 HydrophobicContact CG1-CB 3.71Å |
| 244 | R | 97.9 | Very high | 94.7 | Very high | 163 Ų | 163 | 60 Ų | 60 | 62% | 0.615 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 135.2 | 173.8 | -63.8 | -176.7 | 179.8 | 179.1 | 1.4 | 110 | F246 V263 | R244-F246 HydrophobicContact CB-CE2 3.77Å; R244-F246 HydrophobicContact CB-CZ 4.22Å; R244-V263 PolarHBondContact N-O 3.35Å; R244-V263 PolarHBondContact O-N 3.35Å |
| 245 | I | 97.9 | Very high | 94.4 | Very high | 13 Ų | 13 | 55.1 Ų | 55.1 | 7% | 0.067 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 134.4 | 178.2 | -64.6 | 170.3 | 0 | 0 | 0 | 109.7 | I261 W277 C323 A334 T336 | I245-I261 CarbonylContact C-O 3.49Å; I245-I261 WeakPolarHBondContact CA-O 3.45Å; I245-W277 HydrophobicContact CB-CH2 4.37Å; I245-W277 HydrophobicContact CD1-CH2 3.69Å; I245-W277 HydrophobicContact CD1-CZ3 3.7Å; I245-W277 HydrophobicContact CG1-CH2 3.72Å; I245-W277 HydrophobicContact CG1-CZ3 4.26Å; I245-W277 HydrophobicContact CG2-CH2 3.76Å; I245-C323 HydrophobicContact CD1-CB 4.13Å; I245-C323 HydrophobicContact CG1-CB 4.29Å; I245-A334 HydrophobicContact CD1-CB 3.88Å; I245-A334 VanDerWaalsContact CD1-O 3.22Å; I245-A334 WeakPolarHBondContact CD1-O 3.22Å; I245-A334 HydrophobicContact CG1-CB 4.09Å; I245-T336 HydrophobicContact CD1-CG2 4.32Å; I245-T336 HydrophobicContact CG2-CG2 3.68Å |
| 246 | F | 97.5 | Very high | 94.1 | Very high | 90 Ų | 90 | 55 Ų | 55 | 40% | 0.395 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 139.2 | 174.7 | -63.8 | -82.3 | 0 | 0 | 0 | 111.6 | R244 I261 V263 | R244-F246 HydrophobicContact CB-CE2 3.77Å; R244-F246 HydrophobicContact CB-CZ 4.22Å; F246-I261 HydrophobicContact CB-CB 4.48Å; F246-I261 PolarHBondContact N-O 3.07Å; F246-I261 PolarHBondContact O-N 2.8Å; F246-V263 HydrophobicContact CD2-CB 4.5Å; F246-V263 HydrophobicContact CD2-CG2 3.76Å; F246-V263 HydrophobicContact CE2-CB 4.3Å; F246-V263 HydrophobicContact CE2-CG2 3.91Å |
| 247 | P | 95.6 | Very high | 93.9 | Very high | 56 Ų | 56 | 53.9 Ų | 53.9 | 36% | 0.364 | 27% | 0.27 | S | S | . | . | S | Bend | cis | -64.5 | 154.3 | -10.5 | 31 | -36.6 | 0 | 0 | 0 | 111.4 | E249 P250 | P247-E249 VanDerWaalsContact C-N 3.3Å; P247-E249 PolarHBondContact O-N 2.84Å; P247-P250 HydrophobicContact CG-CB 3.83Å |
| 248 | V | 92.5 | Very high | 93.8 | Very high | 104 Ų | 104 | 54.5 Ų | 54.5 | 63% | 0.63 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -62.8 | -42.3 | -179 | 177.8 | 0 | 0 | 0 | 0 | 110.5 | P250 T336 | V248-P250 WeakPolarHBondContact O-CD 3.43Å; V248-T336 PolarHBondContact O-OG1 3.29Å |
| 249 | E | 91.3 | Very high | 93.6 | Very high | 141 Ų | 141 | 56.9 Ų | 56.9 | 66% | 0.659 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -120.1 | 89.7 | 176.3 | -57.6 | -178.4 | 155.7 | 0 | 0 | 108.9 | P247 F251 | P247-E249 VanDerWaalsContact C-N 3.3Å; P247-E249 PolarHBondContact O-N 2.84Å; E249-F251 HydrophobicContact CB-CD2 4.16Å; E249-F251 HydrophobicContact CB-CE2 3.42Å; E249-F251 VanDerWaalsContact CB-CE2 3.42Å; E249-F251 HydrophobicContact CB-CZ 4.12Å; E249-F251 WeakPolarHBondContact O-CD2 3.38Å; E249-F251 WeakPolarHBondContact O-CE2 3.45Å; E249-F251 PolarHBondContact O-N 2.77Å |
| 250 | P | 93.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -73.3 | 114.9 | 179.4 | 21.8 | -24.2 | 0 | 0 | 0 | 111 | P247 V248 L258 L260 T336 I338 T339 | P247-P250 HydrophobicContact CG-CB 3.83Å; V248-P250 WeakPolarHBondContact O-CD 3.43Å; P250-L258 HydrophobicContact CB-CD1 4.36Å; P250-L258 HydrophobicContact CB-CD2 4.1Å; P250-L260 HydrophobicContact CB-CD2 3.74Å; P250-L260 HydrophobicContact CG-CD2 3.9Å; P250-T336 WeakPolarHBondContact CD-OG1 2.95Å; P250-T336 HydrophobicContact CG-CG2 4.01Å; P250-I338 HydrophobicContact CG-CG1 4.24Å; P250-T339 PolarHBondContact O-N 2.91Å | ||
| 251 | F | 90 | Very high | 93.5 | Very high | 110 Ų | 110 | 56.9 Ų | 56.9 | 48% | 0.482 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 128.2 | 170.5 | -61.3 | -88.9 | 0 | 0 | 0 | 110 | E249 T339 | E249-F251 HydrophobicContact CB-CD2 4.16Å; E249-F251 HydrophobicContact CB-CE2 3.42Å; E249-F251 VanDerWaalsContact CB-CE2 3.42Å; E249-F251 HydrophobicContact CB-CZ 4.12Å; E249-F251 WeakPolarHBondContact O-CD2 3.38Å; E249-F251 WeakPolarHBondContact O-CE2 3.45Å; E249-F251 PolarHBondContact O-N 2.77Å; F251-T339 WeakPolarHBondContact CA-O 3.45Å; F251-T339 VanDerWaalsContact CD1-CB 3.47Å; F251-T339 HydrophobicContact CD1-CG2 3.69Å; F251-T339 HydrophobicContact CE1-CG2 3.53Å |
| 252 | Q | 91 | Very high | 93.5 | Very high | 39 Ų | 39 | 56.6 Ų | 56.6 | 18% | 0.182 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 163 | 177.2 | -169.9 | 53 | -79 | 0 | 0 | 111.8 | C256 N257 L258 I312 F317 T339 E340 S341 | Q252-C256 HydrophobicContact CG-CB 3.69Å; Q252-N257 PolarHBondContact NE2-O 3.23Å; Q252-L258 HydrophobicContact CB-CB 4.42Å; Q252-L258 HydrophobicContact CB-CD1 4.27Å; Q252-L258 HydrophobicContact CB-CD2 4.44Å; Q252-L258 HydrophobicContact CG-CB 4.25Å; Q252-I312 HydrophobicContact CB-CD1 4.36Å; Q252-I312 HydrophobicContact CG-CG2 4.23Å; Q252-F317 WeakPolarHBondContact O-CE1 3.41Å; Q252-F317 WeakPolarHBondContact O-CZ 2.95Å; Q252-T339 PolarHBondContact N-O 2.92Å; Q252-T339 VanDerWaalsContact N-O 3.16Å; Q252-E340 WeakPolarHBondContact O-CA 3.27Å; Q252-S341 PolarHBondContact O-N 2.63Å |
| 253 | K | 87.9 | Confident | 93.5 | Very high | 55 Ų | 55 | 55 Ų | 55 | 24% | 0.239 | 27% | 0.269 | C | S | . | . | trans | -100.4 | 147 | 176 | -170.6 | 172.8 | -166.5 | 162.6 | 0 | 112.9 | G255 C256 I312 S343 V345 | K253-G255 PolarHBondContact O-N 3.34Å; K253-C256 VanDerWaalsContact O-CB 3.24Å; K253-C256 WeakPolarHBondContact O-CB 3.42Å; K253-C256 PolarHBondContact O-N 3.33Å; K253-I312 WeakPolarHBondContact O-CG2 3.12Å; K253-S343 WeakPolarHBondContact CD-O 3.46Å; K253-S343 PolarHBondContact NZ-O 3.32Å; K253-V345 HydrophobicContact CB-CG2 4.2Å; K253-V345 HydrophobicContact CD-CB 3.89Å; K253-V345 HydrophobicContact CD-CG2 3.44Å; K253-V345 VanDerWaalsContact CD-CG2 3.44Å; K253-V345 HydrophobicContact CG-CG2 4.44Å | ||
| 254 | S | 88.5 | Confident | 93.5 | Very high | 36 Ų | 36 | 54.1 Ų | 54.1 | 25% | 0.252 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 134.1 | 174.3 | -163.1 | 0 | 0 | 0 | 0 | 111.7 | C256 T314 | S254-C256 VanDerWaalsContact C-N 3.31Å; S254-C256 PolarHBondContact O-N 3.38Å; S254-T314 PolarHBondContact OG-OG1 2.9Å |
| 255 | G | 86.6 | Confident | 93.5 | Very high | 18 Ų | 18 | 48.7 Ų | 48.7 | 19% | 0.186 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | -5.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | K253 I312 H352 N355 | K253-G255 PolarHBondContact O-N 3.34Å; G255-I312 PolarHBondContact N-O 3.16Å; G255-H352 PolarHBondContact O-ND1 2.82Å; G255-H352 VanDerWaalsContact O-ND1 3.15Å; G255-N355 PolarHBondContact O-ND2 3.11Å; G255-N355 VanDerWaalsContact O-ND2 3.1Å |
| 256 | C | 89.6 | Confident | 93.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -87.6 | 164.2 | 168.7 | -65.7 | 0 | 0 | 0 | 0 | 111.9 | Q252 K253 S254 I312 C354 N355 | Q252-C256 HydrophobicContact CG-CB 3.69Å; K253-C256 VanDerWaalsContact O-CB 3.24Å; K253-C256 WeakPolarHBondContact O-CB 3.42Å; K253-C256 PolarHBondContact O-N 3.33Å; S254-C256 VanDerWaalsContact C-N 3.31Å; S254-C256 PolarHBondContact O-N 3.38Å; C256-I312 VanDerWaalsContact O-CG2 3.23Å; C256-I312 WeakPolarHBondContact O-CG2 3.41Å; C256-I312 PolarHBondContact O-N 2.97Å; C256-C354 VanDerWaalsContact CA-SG 3.52Å; C256-C354 HydrophobicContact CB-CB 3.95Å; C256-C354 WeakPolarHBondContact CB-SG 3.41Å; C256-C354 WeakPolarHBondContact SG-CB 3.34Å; C256-C354 CovalentContact SG-SG 2.02Å; C256-C354 PolarHBondContact SG-SG 3.05Å; C256-N355 VanDerWaalsContact CA-OD1 3.28Å; C256-N355 WeakPolarHBondContact CA-OD1 3.27Å |
| 257 | N | 90.9 | Very high | 93.4 | Very high | 68 Ų | 68 | 45.1 Ų | 45.1 | 36% | 0.364 | 23% | 0.232 | S | C | . | . | trans | -86.7 | 140.6 | 172.9 | -66.3 | -17.1 | 0 | 0 | 0 | 109.7 | Q252 L309 T310 N355 | Q252-N257 PolarHBondContact NE2-O 3.23Å; N257-L309 WeakPolarHBondContact CA-O 3.37Å; N257-T310 HydrophobicContact CB-CG2 4.01Å; N257-T310 WeakPolarHBondContact OD1-CA 3.42Å; N257-T310 WeakPolarHBondContact OD1-CB 3.42Å; N257-N355 PolarHBondContact N-OD1 2.99Å | ||
| 258 | L | 92.6 | Very high | 93.4 | Very high | 16 Ų | 16 | 44.7 Ų | 44.7 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 139.6 | 171.6 | -179.5 | 63.1 | 0 | 0 | 0 | 109.4 | P250 Q252 L260 L309 I312 I338 | P250-L258 HydrophobicContact CB-CD1 4.36Å; P250-L258 HydrophobicContact CB-CD2 4.1Å; Q252-L258 HydrophobicContact CB-CB 4.42Å; Q252-L258 HydrophobicContact CB-CD1 4.27Å; Q252-L258 HydrophobicContact CB-CD2 4.44Å; Q252-L258 HydrophobicContact CG-CB 4.25Å; L258-L260 HydrophobicContact CD2-CD2 4.19Å; L258-L260 HydrophobicContact CG-CD2 4.33Å; L258-L309 HydrophobicContact CB-CB 4.46Å; L258-L309 PolarHBondContact N-O 2.76Å; L258-L309 PolarHBondContact O-N 3.28Å; L258-I312 HydrophobicContact CB-CD1 4.4Å; L258-I312 HydrophobicContact CD2-CD1 3.97Å; L258-I338 HydrophobicContact CD2-CD1 3.8Å; L258-I338 HydrophobicContact CD2-CG1 4.01Å; L258-I338 HydrophobicContact CD2-CG2 3.68Å |
| 259 | R | 94.2 | Very high | 93.6 | Very high | 139 Ų | 139 | 42 Ų | 42 | 53% | 0.525 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 123.7 | 172.7 | 175.9 | 176 | -69.2 | 172.2 | -0.1 | 109.1 | I261 V306 L307 D308 | R259-I261 HydrophobicContact CG-CD1 4.41Å; R259-I261 HydrophobicContact CG-CG1 3.88Å; R259-V306 HydrophobicContact CG-CG1 3.63Å; R259-L307 WeakPolarHBondContact CA-O 3.42Å; R259-D308 IonicContact CZ-OD1 3.07Å; R259-D308 IonicContact NE-OD1 2.89Å; R259-D308 PolarHBondContact NE-OD1 3.45Å; R259-D308 IonicContact NH2-OD1 3.89Å; R259-D308 PolarHBondContact NH2-OD1 2.56Å; R259-D308 IonicContact NH2-OD2 3.9Å |
| 260 | L | 96.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 133.3 | 167.1 | -58.6 | -178.4 | 0 | 0 | 0 | 108.7 | P250 L258 W277 V306 L307 Y321 T336 I338 | P250-L260 HydrophobicContact CB-CD2 3.74Å; P250-L260 HydrophobicContact CG-CD2 3.9Å; L258-L260 HydrophobicContact CD2-CD2 4.19Å; L258-L260 HydrophobicContact CG-CD2 4.33Å; L260-W277 HydrophobicContact CB-CH2 3.92Å; L260-W277 HydrophobicContact CB-CZ2 3.89Å; L260-W277 HydrophobicContact CD1-CH2 4.36Å; L260-W277 HydrophobicContact CD1-CZ3 4.45Å; L260-V306 WeakPolarHBondContact O-CA 3.43Å; L260-L307 HydrophobicContact CB-CB 4.39Å; L260-L307 HydrophobicContact CD1-CD2 4.44Å; L260-L307 PolarHBondContact N-O 2.74Å; L260-L307 PolarHBondContact O-N 3.03Å; L260-Y321 HydrophobicContact CD1-CD1 4.45Å; L260-Y321 HydrophobicContact CD1-CG 4.11Å; L260-T336 HydrophobicContact CD1-CG2 4.33Å; L260-I338 HydrophobicContact CD1-CD1 4.31Å; L260-I338 HydrophobicContact CD1-CG1 4.43Å |
| 261 | I | 97.3 | Very high | 93.8 | Very high | 51 Ų | 51 | 41.4 Ų | 41.4 | 26% | 0.262 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 118.2 | 179.7 | -53.3 | 177.1 | 0 | 0 | 0 | 107.6 | I245 F246 R259 V263 D304 V306 | I245-I261 CarbonylContact C-O 3.49Å; I245-I261 WeakPolarHBondContact CA-O 3.45Å; F246-I261 HydrophobicContact CB-CB 4.48Å; F246-I261 PolarHBondContact N-O 3.07Å; F246-I261 PolarHBondContact O-N 2.8Å; R259-I261 HydrophobicContact CG-CD1 4.41Å; R259-I261 HydrophobicContact CG-CG1 3.88Å; I261-V263 HydrophobicContact CG2-CG2 3.95Å; I261-D304 HydrophobicContact CG2-CB 4.17Å; I261-V306 HydrophobicContact CG1-CG1 4.45Å; I261-V306 HydrophobicContact CG1-CG2 4.45Å; I261-V306 HydrophobicContact CG2-CG2 4.34Å |
| 262 | C | 97.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 105.3 | 170.8 | 174.2 | 0 | 0 | 0 | 0 | 109 | V243 W277 D304 L305 C323 | V243-C262 WeakPolarHBondContact CG1-SG 3.44Å; C262-W277 HydrophobicContact CB-CH2 4.13Å; C262-W277 HydrophobicContact CB-CZ2 3.43Å; C262-W277 VanDerWaalsContact CB-CZ2 3.43Å; C262-D304 CarbonylContact O-C 3.56Å; C262-D304 WeakPolarHBondContact O-CA 3.19Å; C262-L305 HydrophobicContact CB-CB 4.22Å; C262-L305 WeakPolarHBondContact CB-O 3.36Å; C262-L305 PolarHBondContact N-O 2.84Å; C262-L305 PolarHBondContact O-N 2.82Å; C262-C323 HydrophobicContact CB-CB 3.56Å; C262-C323 WeakPolarHBondContact CB-SG 3.48Å; C262-C323 WeakPolarHBondContact SG-CB 3.41Å; C262-C323 CovalentContact SG-SG 2.02Å; C262-C323 PolarHBondContact SG-SG 3.05Å |
| 263 | V | 97.7 | Very high | 94 | Very high | 38 Ų | 38 | 47.3 Ų | 47.3 | 23% | 0.23 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 120.3 | 176.6 | -177.8 | 0 | 0 | 0 | 0 | 108.2 | V243 R244 F246 I261 I302 | V243-V263 WeakPolarHBondContact CA-O 3.24Å; R244-V263 PolarHBondContact N-O 3.35Å; R244-V263 PolarHBondContact O-N 3.35Å; F246-V263 HydrophobicContact CD2-CB 4.5Å; F246-V263 HydrophobicContact CD2-CG2 3.76Å; F246-V263 HydrophobicContact CE2-CB 4.3Å; F246-V263 HydrophobicContact CE2-CG2 3.91Å; I261-V263 HydrophobicContact CG2-CG2 3.95Å; V263-I302 HydrophobicContact CG1-CG2 3.85Å |
| 264 | I | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 112.9 | -174.2 | -51.2 | 165 | 0 | 0 | 0 | 107.8 | P241 I242 V243 V270 C275 I302 R303 L305 A325 | P241-I264 HydrophobicContact CB-CG2 3.85Å; I242-I264 WeakPolarHBondContact O-CA 3.24Å; V243-I264 HydrophobicContact CG2-CG1 4.21Å; V243-I264 HydrophobicContact CG2-CG2 4.24Å; I264-V270 HydrophobicContact CG2-CB 4.42Å; I264-V270 HydrophobicContact CG2-CG2 3.87Å; I264-C275 HydrophobicContact CD1-CB 3.68Å; I264-I302 CarbonylContact O-C 3.32Å; I264-I302 VanDerWaalsContact O-CA 3.3Å; I264-I302 WeakPolarHBondContact O-CA 3.36Å; I264-R303 HydrophobicContact CB-CB 4.21Å; I264-R303 WeakPolarHBondContact CB-O 3.42Å; I264-R303 HydrophobicContact CD1-CB 4.44Å; I264-R303 PolarHBondContact N-O 2.96Å; I264-R303 PolarHBondContact O-N 2.75Å; I264-L305 HydrophobicContact CD1-CB 4.43Å; I264-A325 HydrophobicContact CD1-CB 3.88Å; I264-A325 HydrophobicContact CG1-CB 4.2Å; I264-A325 HydrophobicContact CG2-CB 3.74Å |
| 265 | N | 96.5 | Very high | 94.8 | Very high | 48 Ų | 48 | 44.6 Ų | 44.6 | 26% | 0.257 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 121.5 | 170.5 | -177 | 1.9 | 0 | 0 | 0 | 109.2 | H239 P241 I242 I302 | H239-N265 PolarHBondContact CE1-O 3.33Å; P241-N265 CarbonylContact C-O 3.47Å; P241-N265 WeakPolarHBondContact CA-O 3.5Å; I242-N265 HydrophobicContact CB-CB 4.47Å; I242-N265 PolarHBondContact N-O 3.22Å; I242-N265 PolarHBondContact O-N 2.76Å; N265-I302 HydrophobicContact CB-CG1 4.43Å |
| 266 | A | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 146.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | P241 P268 P269 V270 L301 | P241-A266 HydrophobicContact CB-CB 3.89Å; P241-A266 HydrophobicContact CG-CB 4.06Å; A266-P268 CarbonylContact C-O 3.58Å; A266-P268 WeakPolarHBondContact CB-O 3.4Å; A266-P268 CarbonylContact O-C 3.4Å; A266-P269 WeakPolarHBondContact O-CA 3.07Å; A266-V270 HydrophobicContact CB-CG2 3.7Å; A266-L301 PolarHBondContact N-O 3.11Å; A266-L301 VanDerWaalsContact N-O 3.14Å |
| 267 | N | 96.8 | Very high | 95.6 | Very high | 28 Ų | 28 | 49.5 Ų | 49.5 | 15% | 0.15 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 110.3 | 169.7 | -174.9 | 21.7 | 0 | 0 | 0 | 110.2 | V237 R238 H239 L301 | V237-N267 WeakPolarHBondContact O-CB 3.36Å; V237-N267 PolarHBondContact O-ND2 3.11Å; R238-N267 CarbonylContact C-O 3.52Å; R238-N267 WeakPolarHBondContact CA-O 3.3Å; R238-N267 WeakPolarHBondContact CB-O 3.27Å; H239-N267 PolarHBondContact N-O 2.6Å; H239-N267 PolarHBondContact O-N 3.24Å; N267-L301 HydrophobicContact CB-CD1 4.28Å; N267-L301 HydrophobicContact CB-CD2 4.29Å |
| 268 | P | 96.4 | Very high | 95.8 | Very high | 47 Ų | 47 | 48.8 Ų | 48.8 | 31% | 0.305 | 24% | 0.237 | S | C | . | . | S | Bend | cis | -64.4 | 152.5 | 4.6 | -22.8 | 34.7 | 0 | 0 | 0 | 113.3 | A266 N327 | A266-P268 CarbonylContact C-O 3.58Å; A266-P268 WeakPolarHBondContact CB-O 3.4Å; A266-P268 CarbonylContact O-C 3.4Å; P268-N327 PolarHBondContact O-ND2 2.77Å |
| 269 | P | 96 | Very high | 95.8 | Very high | 47 Ų | 47 | 48 Ų | 48 | 31% | 0.305 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -60.7 | 144.2 | 178.6 | -21.4 | 31.7 | 0 | 0 | 0 | 112.4 | A266 L301 | A266-P269 WeakPolarHBondContact O-CA 3.07Å; P269-L301 HydrophobicContact CG-CD2 3.79Å |
| 270 | V | 96.2 | Very high | 95.9 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.018 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -69.2 | 141.5 | 176.8 | 177.6 | 0 | 0 | 0 | 0 | 110.1 | P241 I264 A266 A274 C275 Y296 R303 A325 N327 | P241-V270 HydrophobicContact CB-CG2 4.1Å; P241-V270 HydrophobicContact CG-CG2 3.72Å; I264-V270 HydrophobicContact CG2-CB 4.42Å; I264-V270 HydrophobicContact CG2-CG2 3.87Å; A266-V270 HydrophobicContact CB-CG2 3.7Å; V270-A274 HydrophobicContact CG1-CB 4Å; V270-C275 HydrophobicContact CG1-CB 3.95Å; V270-Y296 PolarHBondContact O-OH 2.98Å; V270-R303 PolarHBondContact O-NE 3.12Å; V270-A325 HydrophobicContact CG1-CB 4.49Å; V270-A325 HydrophobicContact CG2-CB 4.37Å; V270-N327 HydrophobicContact CG2-CB 4.45Å |
| 271 | E | 93.4 | Very high | 95.6 | Very high | 126 Ų | 126 | 53.9 Ų | 53.9 | 59% | 0.589 | 27% | 0.265 | S | S | * | . | P | Polyproline II helix | trans | -88.4 | 154 | 171.2 | -65.3 | -167.9 | -156.8 | 0 | 0 | 111.1 | H273 A274 | E271-H273 PolarHBondContact O-N 3.26Å; E271-H273 VanDerWaalsContact O-N 3.1Å; E271-H273 IonicContact OE2-CE1 2.94Å; E271-H273 PolarHBondContact OE2-CE1 3.46Å; E271-H273 IonicContact OE2-ND1 3.3Å; E271-H273 PolarHBondContact OE2-ND1 3.12Å; E271-A274 WeakPolarHBondContact O-CA 3.45Å; E271-A274 WeakPolarHBondContact O-CB 3.3Å; E271-A274 PolarHBondContact O-N 3.39Å |
| 272 | Q | 92.4 | Very high | 95.2 | Very high | 132 Ų | 132 | 56.2 Ų | 56.2 | 62% | 0.617 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -55.2 | -36.6 | -175 | -174.9 | 174.9 | -5.8 | 0 | 0 | 113.3 | A274 C275 Y296 | Q272-A274 VanDerWaalsContact C-N 3.27Å; Q272-A274 PolarHBondContact O-N 2.79Å; Q272-C275 PolarHBondContact O-SG 3.33Å; Q272-Y296 HydrophobicContact CB-CD1 3.74Å; Q272-Y296 HydrophobicContact CB-CE1 3.61Å; Q272-Y296 HydrophobicContact CB-CE2 4.5Å; Q272-Y296 HydrophobicContact CB-CG 4.2Å; Q272-Y296 HydrophobicContact CG-CD1 3.74Å; Q272-Y296 HydrophobicContact CG-CD2 4.32Å; Q272-Y296 HydrophobicContact CG-CE1 4.14Å; Q272-Y296 HydrophobicContact CG-CG 3.81Å; Q272-Y296 PolarHBondContact N-OH 3.31Å |
| 273 | H | 92.9 | Very high | 94.9 | Very high | 142 Ų | 142 | 57.6 Ų | 57.6 | 66% | 0.657 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -77 | -13.7 | -179.4 | 72.5 | -95.2 | 0 | 0 | 0 | 113.4 | E271 | E271-H273 PolarHBondContact O-N 3.26Å; E271-H273 VanDerWaalsContact O-N 3.1Å; E271-H273 IonicContact OE2-CE1 2.94Å; E271-H273 PolarHBondContact OE2-CE1 3.46Å; E271-H273 IonicContact OE2-ND1 3.3Å; E271-H273 PolarHBondContact OE2-ND1 3.12Å |
| 274 | A | 95.9 | Very high | 94.7 | Very high | 24 Ų | 24 | 59 Ų | 59 | 20% | 0.198 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -98.7 | 4.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V270 E271 Q272 A325 S326 | V270-A274 HydrophobicContact CG1-CB 4Å; E271-A274 WeakPolarHBondContact O-CA 3.45Å; E271-A274 WeakPolarHBondContact O-CB 3.3Å; E271-A274 PolarHBondContact O-N 3.39Å; Q272-A274 VanDerWaalsContact C-N 3.27Å; Q272-A274 PolarHBondContact O-N 2.79Å; A274-A325 WeakPolarHBondContact O-CA 3.05Å; A274-S326 WeakPolarHBondContact CB-O 3.34Å; A274-S326 PolarHBondContact O-N 3.31Å |
| 275 | C | 96.3 | Very high | 94.4 | Very high | 9 Ų | 9 | 59.7 Ų | 59.7 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 144.1 | 168.4 | 62.2 | 0 | 0 | 0 | 0 | 111.7 | I264 V270 Q272 Y296 L305 T324 A325 | I264-C275 HydrophobicContact CD1-CB 3.68Å; V270-C275 HydrophobicContact CG1-CB 3.95Å; Q272-C275 PolarHBondContact O-SG 3.33Å; C275-Y296 VanDerWaalsContact SG-CE2 3.56Å; C275-L305 HydrophobicContact CB-CD2 4.27Å; C275-T324 CarbonylContact C-O 3.5Å; C275-T324 WeakPolarHBondContact CA-O 3.03Å; C275-A325 HydrophobicContact CB-CB 4.24Å |
| 276 | R | 96.3 | Very high | 93.9 | Very high | 122 Ų | 122 | 61.4 Ų | 61.4 | 46% | 0.46 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 156 | 178.1 | 67.5 | -170.5 | 91.5 | 178.9 | 4 | 111.9 | I278 T284 T324 | R276-I278 HydrophobicContact CG-CD1 4.26Å; R276-I278 HydrophobicContact CG-CG1 4.03Å; R276-T284 HydrophobicContact CB-CG2 4.28Å; R276-T284 HydrophobicContact CG-CG2 4.37Å; R276-T324 HydrophobicContact CG-CG2 3.34Å; R276-T324 PolarHBondContact N-O 2.91Å; R276-T324 PolarHBondContact O-N 2.83Å |
| 277 | W | 96.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 140.8 | 165.2 | -78 | 102.1 | 0 | 0 | 0 | 110.4 | I245 L260 C262 I285 L294 L305 L307 T322 C323 | I245-W277 HydrophobicContact CB-CH2 4.37Å; I245-W277 HydrophobicContact CD1-CH2 3.69Å; I245-W277 HydrophobicContact CD1-CZ3 3.7Å; I245-W277 HydrophobicContact CG1-CH2 3.72Å; I245-W277 HydrophobicContact CG1-CZ3 4.26Å; I245-W277 HydrophobicContact CG2-CH2 3.76Å; L260-W277 HydrophobicContact CB-CH2 3.92Å; L260-W277 HydrophobicContact CB-CZ2 3.89Å; L260-W277 HydrophobicContact CD1-CH2 4.36Å; L260-W277 HydrophobicContact CD1-CZ3 4.45Å; C262-W277 HydrophobicContact CB-CH2 4.13Å; C262-W277 HydrophobicContact CB-CZ2 3.43Å; C262-W277 VanDerWaalsContact CB-CZ2 3.43Å; W277-I285 HydrophobicContact CB-CB 4.24Å; W277-I285 HydrophobicContact CB-CD1 4.1Å; W277-I285 HydrophobicContact CB-CG1 4.45Å; W277-I285 PolarHBondContact O-N 3.26Å; W277-L294 HydrophobicContact CG-CD2 4.43Å; W277-L305 VanDerWaalsContact CD1-CD2 3.46Å; W277-L305 HydrophobicContact CG-CD2 4.26Å; W277-L305 PolarHBondContact NE1-O 2.86Å; W277-L307 HydrophobicContact CB-CD2 4.37Å; W277-L307 HydrophobicContact CD2-CB 4.35Å; W277-L307 HydrophobicContact CD2-CD2 4.21Å; W277-L307 HydrophobicContact CG-CB 4.21Å; W277-L307 HydrophobicContact CG-CD2 4.15Å; W277-T322 CarbonylContact C-O 3.59Å; W277-T322 WeakPolarHBondContact CA-O 3.13Å; W277-C323 HydrophobicContact CD2-CB 4.06Å; W277-C323 HydrophobicContact CE3-CB 3.88Å; W277-C323 HydrophobicContact CH2-CB 4.01Å; W277-C323 HydrophobicContact CZ2-CB 4.18Å; W277-C323 HydrophobicContact CZ3-CB 3.84Å |
| 278 | I | 95.4 | Very high | 91.4 | Very high | 52 Ų | 52 | 67.7 Ų | 67.7 | 27% | 0.267 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 123.2 | 179.3 | -53.8 | 175.2 | 0 | 0 | 0 | 107.6 | R276 G283 Y321 T322 T324 | R276-I278 HydrophobicContact CG-CD1 4.26Å; R276-I278 HydrophobicContact CG-CG1 4.03Å; I278-G283 CarbonylContact C-O 3.6Å; I278-G283 WeakPolarHBondContact CA-O 3.44Å; I278-Y321 CarbonylContact O-C 3.59Å; I278-Y321 WeakPolarHBondContact O-CA 3.09Å; I278-T322 PolarHBondContact N-O 2.93Å; I278-T322 PolarHBondContact O-N 2.82Å; I278-T324 HydrophobicContact CD1-CG2 3.82Å; I278-T324 HydrophobicContact CG1-CG2 4.45Å |
| 279 | S | 93.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.007 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 136.9 | 168.1 | 142.5 | 0 | 0 | 0 | 0 | 108.6 | R281 T282 G283 D319 | S279-R281 PolarHBondContact O-N 2.84Å; S279-R281 PolarHBondContact OG-N 2.94Å; S279-T282 WeakPolarHBondContact CB-OG1 3.46Å; S279-T282 PolarHBondContact OG-N 3.01Å; S279-T282 PolarHBondContact OG-OG1 2.87Å; S279-G283 PolarHBondContact N-O 3.21Å; S279-G283 VanDerWaalsContact O-CA 3.25Å; S279-G283 WeakPolarHBondContact O-CA 3.49Å; S279-G283 PolarHBondContact O-N 3.3Å; S279-D319 WeakPolarHBondContact CB-OD2 3.27Å; S279-D319 PolarHBondContact OG-OD2 2.9Å |
| 280 | N | 94.7 | Very high | 89.4 | Confident | 123 Ų | 123 | 71.4 Ų | 71.4 | 66% | 0.658 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -30.4 | 179 | -170.8 | 36.8 | 0 | 0 | 0 | 112 | D319 L320 | N280-D319 WeakPolarHBondContact CB-OD1 3.2Å; N280-D319 PolarHBondContact N-OD1 3.02Å; N280-L320 HydrophobicContact CB-CB 4.03Å; N280-L320 PolarHBondContact N-O 2.88Å |
| 281 | R | 91.7 | Very high | 88.8 | Confident | 138 Ų | 138 | 72.6 Ų | 72.6 | 52% | 0.521 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -38 | 178.2 | -68 | 177.1 | -170.5 | 179.5 | 6.2 | 113.9 | S279 L315 F317 G318 D319 | S279-R281 PolarHBondContact O-N 2.84Å; S279-R281 PolarHBondContact OG-N 2.94Å; R281-L315 PolarHBondContact NH1-O 2.95Å; R281-F317 PolarHBondContact NH1-O 3.43Å; R281-F317 PolarHBondContact NH2-O 3.07Å; R281-F317 VanDerWaalsContact NH2-O 3.11Å; R281-G318 VanDerWaalsContact NH2-C 3.35Å; R281-G318 PolarHBondContact NH2-O 2.74Å; R281-G318 VanDerWaalsContact NH2-O 3.17Å; R281-D319 HydrophobicContact CG-CB 4.42Å; R281-D319 WeakPolarHBondContact CG-OD1 3.37Å; R281-D319 PolarHBondContact N-OD1 2.94Å |
| 282 | T | 88.2 | Confident | 88.6 | Confident | 100 Ų | 100 | 68 Ų | 68 | 61% | 0.613 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.7 | -8.8 | -169.5 | 62.8 | 0 | 0 | 0 | 0 | 114.3 | S279 | S279-T282 WeakPolarHBondContact CB-OG1 3.46Å; S279-T282 PolarHBondContact OG-N 3.01Å; S279-T282 PolarHBondContact OG-OG1 2.87Å |
| 283 | G | 92.1 | Very high | 88.6 | Confident | 29 Ų | 29 | 68.3 Ų | 68.3 | 30% | 0.299 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 83.3 | -148.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I278 S279 I285 | I278-G283 CarbonylContact C-O 3.6Å; I278-G283 WeakPolarHBondContact CA-O 3.44Å; S279-G283 PolarHBondContact N-O 3.21Å; S279-G283 VanDerWaalsContact O-CA 3.25Å; S279-G283 WeakPolarHBondContact O-CA 3.49Å; S279-G283 PolarHBondContact O-N 3.3Å; G283-I285 PolarHBondContact O-N 3.17Å |
| 284 | T | 92.7 | Very high | 88.6 | Confident | 69 Ų | 69 | 63.4 Ų | 63.4 | 42% | 0.423 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 125.4 | -177.2 | -60.6 | 0 | 0 | 0 | 0 | 110.5 | R276 | R276-T284 HydrophobicContact CB-CG2 4.28Å; R276-T284 HydrophobicContact CG-CG2 4.37Å |
| 285 | I | 90.8 | Very high | 88.5 | Confident | 13 Ų | 13 | 63.7 Ų | 63.7 | 7% | 0.067 | 37% | 0.367 | C | S | . | . | trans | -80.7 | 122.3 | 178.4 | -56.3 | 178.7 | 0 | 0 | 0 | 108.2 | W277 G283 L294 L307 Y321 | W277-I285 HydrophobicContact CB-CB 4.24Å; W277-I285 HydrophobicContact CB-CD1 4.1Å; W277-I285 HydrophobicContact CB-CG1 4.45Å; W277-I285 PolarHBondContact O-N 3.26Å; G283-I285 PolarHBondContact O-N 3.17Å; I285-L294 HydrophobicContact CG2-CD1 4.38Å; I285-L294 WeakPolarHBondContact O-CD1 3.19Å; I285-L307 HydrophobicContact CD1-CD2 3.7Å; I285-L307 HydrophobicContact CG2-CD1 4.09Å; I285-Y321 HydrophobicContact CD1-CD1 3.68Å; I285-Y321 HydrophobicContact CD1-CE1 3.59Å | ||
| 286 | T | 85.9 | Confident | 88.4 | Confident | 85 Ų | 85 | 65 Ų | 65 | 52% | 0.521 | 37% | 0.37 | S | S | . | . | trans | -111 | 147.1 | 177.8 | 57.7 | 0 | 0 | 0 | 0 | 111.1 | G288 S289 | T286-G288 PolarHBondContact O-N 3.34Å; T286-S289 PolarHBondContact O-N 3.34Å; T286-S289 PolarHBondContact O-OG 2.89Å; T286-S289 PolarHBondContact OG1-OG 2.89Å | ||
| 287 | S | 69.6 | Low | 88.3 | Confident | 93 Ų | 93 | 63.3 Ų | 63.3 | 65% | 0.65 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 122.4 | 177 | -167.8 | 0 | 0 | 0 | 0 | 109.2 | ||
| 288 | G | 71.7 | Confident | 88.2 | Confident | 66 Ų | 66 | 68.2 Ų | 68.2 | 68% | 0.68 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 113 | -11.3 | -174 | 0 | 0 | 0 | 0 | 0 | 114.8 | T286 V290 | T286-G288 PolarHBondContact O-N 3.34Å; G288-V290 PolarHBondContact O-N 2.77Å |
| 289 | S | 73.6 | Confident | 87.9 | Confident | 47 Ų | 47 | 69 Ų | 69 | 33% | 0.329 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -61 | 132.1 | 171 | -48.8 | 0 | 0 | 0 | 0 | 109.8 | T286 G291 T292 | T286-S289 PolarHBondContact O-N 3.34Å; T286-S289 PolarHBondContact O-OG 2.89Å; T286-S289 PolarHBondContact OG1-OG 2.89Å; S289-G291 PolarHBondContact O-N 2.86Å; S289-G291 VanDerWaalsContact O-N 3.11Å; S289-T292 WeakPolarHBondContact CB-OG1 3.23Å; S289-T292 PolarHBondContact O-N 2.95Å; S289-T292 PolarHBondContact O-OG1 3.46Å |
| 290 | V | 77.3 | Confident | 87.6 | Confident | 126 Ų | 126 | 71.9 Ų | 71.9 | 76% | 0.764 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 114.1 | -168.1 | 179.9 | 0 | 0 | 0 | 0 | 112.2 | G288 K313 | G288-V290 PolarHBondContact O-N 2.77Å; V290-K313 PolarHBondContact O-NZ 3.3Å |
| 291 | G | 83 | Confident | 87.5 | Confident | 27 Ų | 27 | 69.6 Ų | 69.6 | 28% | 0.278 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89 | 6.8 | 180 | 0 | 0 | 0 | 0 | 0 | 114.3 | S289 T310 | S289-G291 PolarHBondContact O-N 2.86Å; S289-G291 VanDerWaalsContact O-N 3.11Å; G291-T310 PolarHBondContact O-N 2.85Å |
| 292 | T | 89.4 | Confident | 87.7 | Confident | 31 Ų | 31 | 66.5 Ų | 66.5 | 19% | 0.19 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 145.5 | 175.3 | 72.3 | 0 | 0 | 0 | 0 | 110.9 | S289 D308 L309 | S289-T292 WeakPolarHBondContact CB-OG1 3.23Å; S289-T292 PolarHBondContact O-N 2.95Å; S289-T292 PolarHBondContact O-OG1 3.46Å; T292-D308 CarbonylContact C-O 3.52Å; T292-D308 VanDerWaalsContact CA-O 3.31Å; T292-D308 WeakPolarHBondContact CA-O 3.3Å; T292-L309 HydrophobicContact CG2-CD2 3.86Å |
| 293 | R | 92 | Very high | 88.1 | Confident | 138 Ų | 138 | 63.3 Ų | 63.3 | 52% | 0.521 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 128.6 | 170.5 | 176.6 | 178.5 | -179.6 | -97.1 | -3 | 109.4 | T295 D308 | R293-T295 PolarHBondContact NH1-OG1 2.86Å; R293-T295 VanDerWaalsContact NH1-OG1 3.08Å; R293-D308 HydrophobicContact CB-CB 4.2Å; R293-D308 PolarHBondContact N-O 3.32Å; R293-D308 IonicContact NH1-OD2 3.74Å; R293-D308 PolarHBondContact NH1-OD2 2.83Å; R293-D308 PolarHBondContact O-N 2.85Å |
| 294 | L | 94 | Very high | 88.3 | Confident | 38 Ų | 38 | 64.1 Ų | 64.1 | 20% | 0.199 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 130.2 | 174.2 | -70.6 | 173.1 | 0 | 0 | 0 | 109.7 | W277 I285 V306 L307 | W277-L294 HydrophobicContact CG-CD2 4.43Å; I285-L294 HydrophobicContact CG2-CD1 4.38Å; I285-L294 WeakPolarHBondContact O-CD1 3.19Å; L294-V306 CarbonylContact C-O 3.54Å; L294-V306 VanDerWaalsContact CA-O 3.32Å; L294-V306 WeakPolarHBondContact CA-O 3.48Å; L294-L307 HydrophobicContact CD2-CB 4.07Å; L294-L307 HydrophobicContact CD2-CD1 3.86Å |
| 295 | T | 94 | Very high | 88.5 | Confident | 31 Ų | 31 | 61.3 Ų | 61.3 | 19% | 0.19 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 131.2 | 173.4 | -50.9 | 0 | 0 | 0 | 0 | 109.2 | R293 L297 V306 | R293-T295 PolarHBondContact NH1-OG1 2.86Å; R293-T295 VanDerWaalsContact NH1-OG1 3.08Å; T295-L297 HydrophobicContact CG2-CD2 3.86Å; T295-L297 HydrophobicContact CG2-CG 4.28Å; T295-V306 PolarHBondContact N-O 2.81Å; T295-V306 PolarHBondContact O-N 2.8Å |
| 296 | Y | 94 | Very high | 88.7 | Confident | 36 Ų | 36 | 61.1 Ų | 61.1 | 14% | 0.141 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 122.5 | 177.9 | -179.3 | -110 | 0 | 0 | 0 | 109.4 | V270 Q272 C275 N298 R303 D304 L305 | V270-Y296 PolarHBondContact O-OH 2.98Å; Q272-Y296 HydrophobicContact CB-CD1 3.74Å; Q272-Y296 HydrophobicContact CB-CE1 3.61Å; Q272-Y296 HydrophobicContact CB-CE2 4.5Å; Q272-Y296 HydrophobicContact CB-CG 4.2Å; Q272-Y296 HydrophobicContact CG-CD1 3.74Å; Q272-Y296 HydrophobicContact CG-CD2 4.32Å; Q272-Y296 HydrophobicContact CG-CE1 4.14Å; Q272-Y296 HydrophobicContact CG-CG 3.81Å; Q272-Y296 PolarHBondContact N-OH 3.31Å; C275-Y296 VanDerWaalsContact SG-CE2 3.56Å; Y296-N298 VanDerWaalsContact CD1-OD1 3.28Å; Y296-N298 WeakPolarHBondContact CD1-OD1 3.44Å; Y296-N298 WeakPolarHBondContact CE1-OD1 3.21Å; Y296-N298 VanDerWaalsContact CZ-OD1 3.23Å; Y296-R303 HydrophobicContact CE2-CB 3.82Å; Y296-R303 HydrophobicContact CE2-CG 4.07Å; Y296-R303 WeakPolarHBondContact OH-CD 3.21Å; Y296-R303 WeakPolarHBondContact OH-CG 3.41Å; Y296-R303 PolarHBondContact OH-NE 3.41Å; Y296-R303 VanDerWaalsContact OH-NE 3.16Å; Y296-D304 WeakPolarHBondContact CA-O 3.37Å; Y296-L305 HydrophobicContact CD2-CD1 4.35Å |
| 297 | L | 95.1 | Very high | 89.2 | Confident | 87 Ų | 87 | 57.1 Ų | 57.1 | 46% | 0.455 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 142.1 | -178 | -54.1 | 174.7 | 0 | 0 | 0 | 110.6 | T295 R303 D304 V306 | T295-L297 HydrophobicContact CG2-CD2 3.86Å; T295-L297 HydrophobicContact CG2-CG 4.28Å; L297-R303 VanDerWaalsContact O-CA 3.32Å; L297-R303 WeakPolarHBondContact O-CA 3.22Å; L297-D304 HydrophobicContact CB-CB 4.2Å; L297-D304 HydrophobicContact CD1-CB 4.43Å; L297-D304 PolarHBondContact N-O 2.92Å; L297-D304 PolarHBondContact O-N 2.77Å; L297-V306 HydrophobicContact CD1-CG2 4.36Å |
| 298 | N | 92.4 | Very high | 90.3 | Very high | 102 Ų | 102 | 53.3 Ų | 53.3 | 55% | 0.545 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 124.6 | -173.1 | -60.6 | -17.3 | 0 | 0 | 0 | 111.5 | Y296 R303 | Y296-N298 VanDerWaalsContact CD1-OD1 3.28Å; Y296-N298 WeakPolarHBondContact CD1-OD1 3.44Å; Y296-N298 WeakPolarHBondContact CE1-OD1 3.21Å; Y296-N298 VanDerWaalsContact CZ-OD1 3.23Å; N298-R303 WeakPolarHBondContact OD1-CD 3.05Å; N298-R303 PolarHBondContact OD1-NE 2.52Å |
| 299 | A | 89.1 | Confident | 91.3 | Very high | 68 Ų | 68 | 50.3 Ų | 50.3 | 56% | 0.562 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 93.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L301 I302 | A299-L301 PolarHBondContact O-N 2.9Å; A299-L301 VanDerWaalsContact O-N 3.13Å; A299-I302 CarbonylContact C-O 3.59Å; A299-I302 PolarHBondContact N-O 2.78Å; A299-I302 PolarHBondContact O-N 2.65Å |
| 300 | G | 89.4 | Confident | 92 | Very high | 63 Ų | 63 | 51 Ų | 51 | 65% | 0.649 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | -112.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R303 | G300-R303 PolarHBondContact O-NH1 3.07Å; G300-R303 PolarHBondContact O-NH2 2.87Å |
| 301 | L | 92.6 | Very high | 92.6 | Very high | 75 Ų | 75 | 47.9 Ų | 47.9 | 39% | 0.393 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -9.2 | 174.8 | -59.7 | -177.4 | 0 | 0 | 0 | 113.4 | A266 N267 P269 A299 | A266-L301 PolarHBondContact N-O 3.11Å; A266-L301 VanDerWaalsContact N-O 3.14Å; N267-L301 HydrophobicContact CB-CD1 4.28Å; N267-L301 HydrophobicContact CB-CD2 4.29Å; P269-L301 HydrophobicContact CG-CD2 3.79Å; A299-L301 PolarHBondContact O-N 2.9Å; A299-L301 VanDerWaalsContact O-N 3.13Å |
| 302 | I | 94.7 | Very high | 92.9 | Very high | 72 Ų | 72 | 46.7 Ų | 46.7 | 37% | 0.369 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 139 | -178 | -59.8 | 172.7 | 0 | 0 | 0 | 109.7 | V263 I264 N265 A299 | V263-I302 HydrophobicContact CG1-CG2 3.85Å; I264-I302 CarbonylContact O-C 3.32Å; I264-I302 VanDerWaalsContact O-CA 3.3Å; I264-I302 WeakPolarHBondContact O-CA 3.36Å; N265-I302 HydrophobicContact CB-CG1 4.43Å; A299-I302 CarbonylContact C-O 3.59Å; A299-I302 PolarHBondContact N-O 2.78Å; A299-I302 PolarHBondContact O-N 2.65Å |
| 303 | R | 96.1 | Very high | 92.9 | Very high | 33 Ų | 33 | 49.3 Ų | 49.3 | 13% | 0.125 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 135.7 | 170.6 | -55.9 | -64.3 | -177.1 | -96.9 | 3.8 | 109.4 | I264 V270 Y296 L297 N298 G300 | I264-R303 HydrophobicContact CB-CB 4.21Å; I264-R303 WeakPolarHBondContact CB-O 3.42Å; I264-R303 HydrophobicContact CD1-CB 4.44Å; I264-R303 PolarHBondContact N-O 2.96Å; I264-R303 PolarHBondContact O-N 2.75Å; V270-R303 PolarHBondContact O-NE 3.12Å; Y296-R303 HydrophobicContact CE2-CB 3.82Å; Y296-R303 HydrophobicContact CE2-CG 4.07Å; Y296-R303 WeakPolarHBondContact OH-CD 3.21Å; Y296-R303 WeakPolarHBondContact OH-CG 3.41Å; Y296-R303 PolarHBondContact OH-NE 3.41Å; Y296-R303 VanDerWaalsContact OH-NE 3.16Å; L297-R303 VanDerWaalsContact O-CA 3.32Å; L297-R303 WeakPolarHBondContact O-CA 3.22Å; N298-R303 WeakPolarHBondContact OD1-CD 3.05Å; N298-R303 PolarHBondContact OD1-NE 2.52Å; G300-R303 PolarHBondContact O-NH1 3.07Å; G300-R303 PolarHBondContact O-NH2 2.87Å |
| 304 | D | 96.7 | Very high | 92.8 | Very high | 46 Ų | 46 | 47.5 Ų | 47.5 | 25% | 0.246 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 119.2 | 170.7 | -61.6 | -17 | 0 | 0 | 0 | 109.3 | I261 C262 Y296 L297 V306 | I261-D304 HydrophobicContact CG2-CB 4.17Å; C262-D304 CarbonylContact O-C 3.56Å; C262-D304 WeakPolarHBondContact O-CA 3.19Å; Y296-D304 WeakPolarHBondContact CA-O 3.37Å; L297-D304 HydrophobicContact CB-CB 4.2Å; L297-D304 HydrophobicContact CD1-CB 4.43Å; L297-D304 PolarHBondContact N-O 2.92Å; L297-D304 PolarHBondContact O-N 2.77Å; D304-V306 HydrophobicContact CB-CG2 4.34Å |
| 305 | L | 96.5 | Very high | 92.6 | Very high | 10 Ų | 10 | 49.8 Ų | 49.8 | 5% | 0.052 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 99.3 | 169.5 | -175.5 | 67 | 0 | 0 | 0 | 108.9 | C262 I264 C275 W277 Y296 | C262-L305 HydrophobicContact CB-CB 4.22Å; C262-L305 WeakPolarHBondContact CB-O 3.36Å; C262-L305 PolarHBondContact N-O 2.84Å; C262-L305 PolarHBondContact O-N 2.82Å; I264-L305 HydrophobicContact CD1-CB 4.43Å; C275-L305 HydrophobicContact CB-CD2 4.27Å; W277-L305 VanDerWaalsContact CD1-CD2 3.46Å; W277-L305 HydrophobicContact CG-CD2 4.26Å; W277-L305 PolarHBondContact NE1-O 2.86Å; Y296-L305 HydrophobicContact CD2-CD1 4.35Å |
| 306 | V | 96.1 | Very high | 92.5 | Very high | 10 Ų | 10 | 49.1 Ų | 49.1 | 6% | 0.061 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 126.4 | -175.7 | -175 | 0 | 0 | 0 | 0 | 110 | R259 L260 I261 L294 T295 L297 D304 | R259-V306 HydrophobicContact CG-CG1 3.63Å; L260-V306 WeakPolarHBondContact O-CA 3.43Å; I261-V306 HydrophobicContact CG1-CG1 4.45Å; I261-V306 HydrophobicContact CG1-CG2 4.45Å; I261-V306 HydrophobicContact CG2-CG2 4.34Å; L294-V306 CarbonylContact C-O 3.54Å; L294-V306 VanDerWaalsContact CA-O 3.32Å; L294-V306 WeakPolarHBondContact CA-O 3.48Å; T295-V306 PolarHBondContact N-O 2.81Å; T295-V306 PolarHBondContact O-N 2.8Å; L297-V306 HydrophobicContact CD1-CG2 4.36Å; D304-V306 HydrophobicContact CB-CG2 4.34Å |
| 307 | L | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 109.4 | 170.5 | 172.7 | 61 | 0 | 0 | 0 | 109.1 | R259 L260 W277 I285 L294 L309 Y321 | R259-L307 WeakPolarHBondContact CA-O 3.42Å; L260-L307 HydrophobicContact CB-CB 4.39Å; L260-L307 HydrophobicContact CD1-CD2 4.44Å; L260-L307 PolarHBondContact N-O 2.74Å; L260-L307 PolarHBondContact O-N 3.03Å; W277-L307 HydrophobicContact CB-CD2 4.37Å; W277-L307 HydrophobicContact CD2-CB 4.35Å; W277-L307 HydrophobicContact CD2-CD2 4.21Å; W277-L307 HydrophobicContact CG-CB 4.21Å; W277-L307 HydrophobicContact CG-CD2 4.15Å; I285-L307 HydrophobicContact CD1-CD2 3.7Å; I285-L307 HydrophobicContact CG2-CD1 4.09Å; L294-L307 HydrophobicContact CD2-CB 4.07Å; L294-L307 HydrophobicContact CD2-CD1 3.86Å; L307-L309 HydrophobicContact CD1-CD2 4.05Å; L307-L309 HydrophobicContact CD2-CD2 4.34Å; L307-L309 HydrophobicContact CG-CD2 4.12Å; L307-L309 HydrophobicContact CG-CG 4.38Å; L307-Y321 HydrophobicContact CD2-CD1 3.74Å; L307-Y321 HydrophobicContact CD2-CE1 3.97Å |
| 308 | D | 93.4 | Very high | 92.4 | Very high | 13 Ų | 13 | 45.9 Ų | 45.9 | 7% | 0.07 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 125.6 | 169.8 | -65.3 | -54.4 | 0 | 0 | 0 | 109.2 | R259 T292 R293 T310 | R259-D308 IonicContact CZ-OD1 3.07Å; R259-D308 IonicContact NE-OD1 2.89Å; R259-D308 PolarHBondContact NE-OD1 3.45Å; R259-D308 IonicContact NH2-OD1 3.89Å; R259-D308 PolarHBondContact NH2-OD1 2.56Å; R259-D308 IonicContact NH2-OD2 3.9Å; T292-D308 CarbonylContact C-O 3.52Å; T292-D308 VanDerWaalsContact CA-O 3.31Å; T292-D308 WeakPolarHBondContact CA-O 3.3Å; R293-D308 HydrophobicContact CB-CB 4.2Å; R293-D308 PolarHBondContact N-O 3.32Å; R293-D308 IonicContact NH1-OD2 3.74Å; R293-D308 PolarHBondContact NH1-OD2 2.83Å; R293-D308 PolarHBondContact O-N 2.85Å; D308-T310 HydrophobicContact CB-CG2 4.29Å |
| 309 | L | 92.2 | Very high | 92.5 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 107.9 | 170.2 | -58.9 | 178.4 | 0 | 0 | 0 | 108.4 | N257 L258 T292 L307 I338 | N257-L309 WeakPolarHBondContact CA-O 3.37Å; L258-L309 HydrophobicContact CB-CB 4.46Å; L258-L309 PolarHBondContact N-O 2.76Å; L258-L309 PolarHBondContact O-N 3.28Å; T292-L309 HydrophobicContact CG2-CD2 3.86Å; L307-L309 HydrophobicContact CD1-CD2 4.05Å; L307-L309 HydrophobicContact CD2-CD2 4.34Å; L307-L309 HydrophobicContact CG-CD2 4.12Å; L307-L309 HydrophobicContact CG-CG 4.38Å; L309-I338 HydrophobicContact CD1-CD1 3.61Å |
| 310 | T | 89.7 | Confident | 92.8 | Very high | 61 Ų | 61 | 41 Ų | 41 | 37% | 0.374 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -136.1 | 98.9 | -171.8 | 60.2 | 0 | 0 | 0 | 0 | 112 | N257 G291 D308 | N257-T310 HydrophobicContact CB-CG2 4.01Å; N257-T310 WeakPolarHBondContact OD1-CA 3.42Å; N257-T310 WeakPolarHBondContact OD1-CB 3.42Å; G291-T310 PolarHBondContact O-N 2.85Å; D308-T310 HydrophobicContact CB-CG2 4.29Å |
| 311 | P | 89.1 | Confident | 93.1 | Very high | 62 Ų | 62 | 38.3 Ų | 38.3 | 40% | 0.403 | 21% | 0.214 | S | C | . | . | S | Bend | cis | -84.3 | 162.7 | -10.8 | 35.5 | -34.1 | 0 | 0 | 0 | 112.4 | ||
| 312 | I | 90 | Very high | 93.4 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | trans | -64.6 | 136.8 | 166.3 | -161 | 171.1 | 0 | 0 | 0 | 110.3 | Q252 K253 G255 C256 L258 D316 F317 I338 | Q252-I312 HydrophobicContact CB-CD1 4.36Å; Q252-I312 HydrophobicContact CG-CG2 4.23Å; K253-I312 WeakPolarHBondContact O-CG2 3.12Å; G255-I312 PolarHBondContact N-O 3.16Å; C256-I312 VanDerWaalsContact O-CG2 3.23Å; C256-I312 WeakPolarHBondContact O-CG2 3.41Å; C256-I312 PolarHBondContact O-N 2.97Å; L258-I312 HydrophobicContact CB-CD1 4.4Å; L258-I312 HydrophobicContact CD2-CD1 3.97Å; I312-D316 HydrophobicContact CD1-CB 4.28Å; I312-D316 HydrophobicContact CG1-CB 3.71Å; I312-F317 HydrophobicContact CD1-CD1 4.14Å; I312-F317 HydrophobicContact CD1-CE1 3.43Å; I312-F317 VanDerWaalsContact CD1-CE1 3.43Å; I312-F317 HydrophobicContact CD1-CZ 3.69Å; I312-F317 HydrophobicContact CG1-CE1 4.24Å; I312-F317 HydrophobicContact CG1-CZ 4.05Å; I312-F317 HydrophobicContact CG2-CZ 3.84Å; I312-I338 HydrophobicContact CD1-CD1 4.33Å; I312-I338 HydrophobicContact CD1-CG2 3.66Å | ||
| 313 | K | 89.6 | Confident | 93.5 | Very high | 85 Ų | 85 | 32.7 Ų | 32.7 | 37% | 0.37 | 19% | 0.187 | S | C | . | . | trans | -106.6 | 158 | -178.6 | -59.3 | 172.3 | -166.7 | 166.3 | 0 | 109.5 | V290 L315 D316 | V290-K313 PolarHBondContact O-NZ 3.3Å; K313-L315 HydrophobicContact CB-CG 4.39Å; K313-L315 HydrophobicContact CD-CD2 4.42Å; K313-L315 PolarHBondContact O-N 3.13Å; K313-D316 PolarHBondContact N-OD2 3.21Å; K313-D316 WeakPolarHBondContact O-CB 3.42Å; K313-D316 PolarHBondContact O-N 3.38Å | ||
| 314 | T | 89.6 | Confident | 93.6 | Very high | 100 Ų | 100 | 32 Ų | 32 | 61% | 0.613 | 19% | 0.186 | S | C | * | . | G | 310 helix | trans | -55.6 | -29.5 | 177.3 | -46.9 | 0 | 0 | 0 | 0 | 112.9 | S254 D316 | S254-T314 PolarHBondContact OG-OG1 2.9Å; T314-D316 VanDerWaalsContact C-N 3.31Å; T314-D316 PolarHBondContact O-N 3.07Å |
| 315 | L | 89.8 | Confident | 93.7 | Very high | 86 Ų | 86 | 29.9 Ų | 29.9 | 45% | 0.45 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -72.9 | -18.9 | 177.8 | 85.9 | 90.4 | 0 | 0 | 0 | 114.2 | R281 K313 F317 | R281-L315 PolarHBondContact NH1-O 2.95Å; K313-L315 HydrophobicContact CB-CG 4.39Å; K313-L315 HydrophobicContact CD-CD2 4.42Å; K313-L315 PolarHBondContact O-N 3.13Å; L315-F317 VanDerWaalsContact C-N 3.31Å |
| 316 | D | 91.7 | Very high | 93.8 | Very high | 17 Ų | 17 | 31 Ų | 31 | 9% | 0.091 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -78 | -21.7 | -178.7 | -58.4 | -39.5 | 0 | 0 | 0 | 111 | I312 K313 T314 D319 Y321 | I312-D316 HydrophobicContact CD1-CB 4.28Å; I312-D316 HydrophobicContact CG1-CB 3.71Å; K313-D316 PolarHBondContact N-OD2 3.21Å; K313-D316 WeakPolarHBondContact O-CB 3.42Å; K313-D316 PolarHBondContact O-N 3.38Å; T314-D316 VanDerWaalsContact C-N 3.31Å; T314-D316 PolarHBondContact O-N 3.07Å; D316-D319 WeakPolarHBondContact O-CB 2.99Å; D316-D319 PolarHBondContact O-N 2.66Å; D316-Y321 PolarHBondContact OD1-OH 2Å |
| 317 | F | 93.5 | Very high | 93.8 | Very high | 16 Ų | 16 | 31.6 Ų | 31.6 | 7% | 0.07 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 136.4 | 176.9 | -60.1 | -61.3 | 0 | 0 | 0 | 112.3 | Q252 R281 I312 L315 D319 I338 E340 | Q252-F317 WeakPolarHBondContact O-CE1 3.41Å; Q252-F317 WeakPolarHBondContact O-CZ 2.95Å; R281-F317 PolarHBondContact NH1-O 3.43Å; R281-F317 PolarHBondContact NH2-O 3.07Å; R281-F317 VanDerWaalsContact NH2-O 3.11Å; I312-F317 HydrophobicContact CD1-CD1 4.14Å; I312-F317 HydrophobicContact CD1-CE1 3.43Å; I312-F317 VanDerWaalsContact CD1-CE1 3.43Å; I312-F317 HydrophobicContact CD1-CZ 3.69Å; I312-F317 HydrophobicContact CG1-CE1 4.24Å; I312-F317 HydrophobicContact CG1-CZ 4.05Å; I312-F317 HydrophobicContact CG2-CZ 3.84Å; L315-F317 VanDerWaalsContact C-N 3.31Å; F317-D319 PolarHBondContact O-N 2.84Å; F317-I338 HydrophobicContact CD1-CG2 3.96Å; F317-I338 HydrophobicContact CE1-CG2 4.1Å; F317-E340 HydrophobicContact CB-CB 4.31Å; F317-E340 HydrophobicContact CD1-CB 3.75Å; F317-E340 HydrophobicContact CD1-CG 4.35Å; F317-E340 HydrophobicContact CD2-CB 4.2Å; F317-E340 HydrophobicContact CD2-CG 4.19Å; F317-E340 HydrophobicContact CE1-CB 4.1Å; F317-E340 HydrophobicContact CE1-CG 4.31Å; F317-E340 HydrophobicContact CE2-CG 4.17Å; F317-E340 HydrophobicContact CG-CB 3.82Å; F317-E340 HydrophobicContact CG-CG 4.31Å; F317-E340 HydrophobicContact CZ-CB 4.5Å; F317-E340 HydrophobicContact CZ-CG 4.24Å |
| 318 | G | 92.7 | Very high | 93.9 | Very high | 39 Ų | 39 | 36.5 Ų | 36.5 | 40% | 0.402 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 11.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | R281 I338 | R281-G318 VanDerWaalsContact NH2-C 3.35Å; R281-G318 PolarHBondContact NH2-O 2.74Å; R281-G318 VanDerWaalsContact NH2-O 3.17Å; G318-I338 PolarHBondContact N-O 3.35Å |
| 319 | D | 94.5 | Very high | 94 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.011 | 23% | 0.234 | C | C | . | . | trans | -88.1 | 149.6 | 168.2 | -165.6 | 15.2 | 0 | 0 | 0 | 110.5 | S279 N280 R281 D316 F317 Y321 M337 I338 | S279-D319 WeakPolarHBondContact CB-OD2 3.27Å; S279-D319 PolarHBondContact OG-OD2 2.9Å; N280-D319 WeakPolarHBondContact CB-OD1 3.2Å; N280-D319 PolarHBondContact N-OD1 3.02Å; R281-D319 HydrophobicContact CG-CB 4.42Å; R281-D319 WeakPolarHBondContact CG-OD1 3.37Å; R281-D319 PolarHBondContact N-OD1 2.94Å; D316-D319 WeakPolarHBondContact O-CB 2.99Å; D316-D319 PolarHBondContact O-N 2.66Å; F317-D319 PolarHBondContact O-N 2.84Å; D319-Y321 HydrophobicContact CB-CE2 3.9Å; D319-M337 WeakPolarHBondContact O-CA 3.27Å; D319-I338 PolarHBondContact O-N 2.92Å | ||
| 320 | L | 96.2 | Very high | 94.2 | Very high | 67 Ų | 67 | 40.2 Ų | 40.2 | 35% | 0.351 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 118.5 | 179.2 | -66.5 | 174.4 | 0 | 0 | 0 | 109.3 | N280 T335 T336 M337 | N280-L320 HydrophobicContact CB-CB 4.03Å; N280-L320 PolarHBondContact N-O 2.88Å; L320-T335 HydrophobicContact CB-CG2 3.87Å; L320-T335 HydrophobicContact CD2-CG2 4.11Å; L320-T335 HydrophobicContact CG-CG2 4.45Å; L320-T336 WeakPolarHBondContact CA-O 3.18Å; L320-M337 HydrophobicContact CD2-CB 3.68Å; L320-M337 HydrophobicContact CD2-CG 4.01Å; L320-M337 HydrophobicContact CD2-SD 4.24Å |
| 321 | Y | 95.9 | Very high | 94.6 | Very high | 5 Ų | 5 | 41.8 Ų | 41.8 | 2% | 0.02 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 114.7 | 176.4 | -70.2 | -99.4 | 0 | 0 | 0 | 109.2 | L260 I278 I285 L307 D316 D319 T335 T336 I338 | L260-Y321 HydrophobicContact CD1-CD1 4.45Å; L260-Y321 HydrophobicContact CD1-CG 4.11Å; I278-Y321 CarbonylContact O-C 3.59Å; I278-Y321 WeakPolarHBondContact O-CA 3.09Å; I285-Y321 HydrophobicContact CD1-CD1 3.68Å; I285-Y321 HydrophobicContact CD1-CE1 3.59Å; L307-Y321 HydrophobicContact CD2-CD1 3.74Å; L307-Y321 HydrophobicContact CD2-CE1 3.97Å; D316-Y321 PolarHBondContact OD1-OH 2Å; D319-Y321 HydrophobicContact CB-CE2 3.9Å; Y321-T335 WeakPolarHBondContact O-CA 3.13Å; Y321-T336 PolarHBondContact N-O 2.91Å; Y321-T336 PolarHBondContact O-N 2.95Å; Y321-I338 HydrophobicContact CD2-CD1 3.65Å; Y321-I338 HydrophobicContact CD2-CG1 3.85Å; Y321-I338 HydrophobicContact CE2-CD1 3.22Å; Y321-I338 HydrophobicContact CE2-CG1 3.83Å |
| 322 | T | 97.9 | Very high | 95 | Very high | 30 Ų | 30 | 42.4 Ų | 42.4 | 18% | 0.184 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 122 | 179.8 | -53.1 | 0 | 0 | 0 | 0 | 109.5 | W277 I278 A334 T335 | W277-T322 CarbonylContact C-O 3.59Å; W277-T322 WeakPolarHBondContact CA-O 3.13Å; I278-T322 PolarHBondContact N-O 2.93Å; I278-T322 PolarHBondContact O-N 2.82Å; T322-A334 CarbonylContact C-O 3.55Å; T322-A334 VanDerWaalsContact CA-O 3.27Å; T322-A334 WeakPolarHBondContact CA-O 3.31Å; T322-T335 PolarHBondContact OG1-OG1 2.88Å |
| 323 | C | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 121.1 | 166.1 | -176.9 | 0 | 0 | 0 | 0 | 108.8 | V243 I245 C262 W277 S333 A334 | V243-C323 HydrophobicContact CG1-CB 4.22Å; I245-C323 HydrophobicContact CD1-CB 4.13Å; I245-C323 HydrophobicContact CG1-CB 4.29Å; C262-C323 HydrophobicContact CB-CB 3.56Å; C262-C323 WeakPolarHBondContact CB-SG 3.48Å; C262-C323 WeakPolarHBondContact SG-CB 3.41Å; C262-C323 CovalentContact SG-SG 2.02Å; C262-C323 PolarHBondContact SG-SG 3.05Å; W277-C323 HydrophobicContact CD2-CB 4.06Å; W277-C323 HydrophobicContact CE3-CB 3.88Å; W277-C323 HydrophobicContact CH2-CB 4.01Å; W277-C323 HydrophobicContact CZ2-CB 4.18Å; W277-C323 HydrophobicContact CZ3-CB 3.84Å; C323-S333 CarbonylContact O-C 3.6Å; C323-S333 VanDerWaalsContact O-CA 3.23Å; C323-S333 WeakPolarHBondContact O-CA 3.43Å; C323-A334 PolarHBondContact N-O 2.92Å; C323-A334 PolarHBondContact O-N 3.07Å |
| 324 | T | 97.9 | Very high | 95.8 | Very high | 19 Ų | 19 | 42.2 Ų | 42.2 | 12% | 0.117 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 140.9 | 175.3 | -175.2 | 0 | 0 | 0 | 0 | 110.3 | C275 R276 I278 I332 S333 | C275-T324 CarbonylContact C-O 3.5Å; C275-T324 WeakPolarHBondContact CA-O 3.03Å; R276-T324 HydrophobicContact CG-CG2 3.34Å; R276-T324 PolarHBondContact N-O 2.91Å; R276-T324 PolarHBondContact O-N 2.83Å; I278-T324 HydrophobicContact CD1-CG2 3.82Å; I278-T324 HydrophobicContact CG1-CG2 4.45Å; T324-I332 WeakPolarHBondContact CA-O 3.34Å; T324-I332 PolarHBondContact OG1-O 2.95Å; T324-S333 WeakPolarHBondContact CB-OG 3.12Å; T324-S333 PolarHBondContact OG1-OG 3.23Å; T324-S333 VanDerWaalsContact OG1-OG 3.08Å |
| 325 | A | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 143.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | P241 V243 I264 V270 A274 C275 T331 I332 | P241-A325 HydrophobicContact CB-CB 4.07Å; P241-A325 HydrophobicContact CG-CB 4.33Å; V243-A325 HydrophobicContact CG2-CB 3.82Å; I264-A325 HydrophobicContact CD1-CB 3.88Å; I264-A325 HydrophobicContact CG1-CB 4.2Å; I264-A325 HydrophobicContact CG2-CB 3.74Å; V270-A325 HydrophobicContact CG1-CB 4.49Å; V270-A325 HydrophobicContact CG2-CB 4.37Å; A274-A325 WeakPolarHBondContact O-CA 3.05Å; C275-A325 HydrophobicContact CB-CB 4.24Å; A325-T331 WeakPolarHBondContact O-CA 3.43Å; A325-I332 PolarHBondContact N-O 3.38Å; A325-I332 PolarHBondContact O-N 2.72Å |
| 326 | S | 98 | Very high | 96.5 | Very high | 35 Ų | 35 | 37.9 Ų | 37.9 | 25% | 0.245 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 143.5 | -178.3 | -160.1 | 0 | 0 | 0 | 0 | 112.3 | A274 G330 T331 | A274-S326 WeakPolarHBondContact CB-O 3.34Å; A274-S326 PolarHBondContact O-N 3.31Å; S326-G330 WeakPolarHBondContact CA-O 3.44Å; S326-G330 PolarHBondContact OG-O 3.41Å; S326-T331 PolarHBondContact OG-OG1 3.26Å |
| 327 | N | 97 | Very high | 96.8 | Very high | 22 Ų | 22 | 41.5 Ų | 41.5 | 12% | 0.118 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | -167.9 | 162.6 | 72.2 | 1.4 | 0 | 0 | 0 | 109.7 | H239 P241 P268 V270 L329 G330 | H239-N327 PolarHBondContact O-ND2 3.49Å; P241-N327 HydrophobicContact CG-CB 4.38Å; P268-N327 PolarHBondContact O-ND2 2.77Å; V270-N327 HydrophobicContact CG2-CB 4.45Å; N327-L329 PolarHBondContact O-N 2.7Å; N327-L329 PolarHBondContact OD1-N 2.99Å; N327-G330 PolarHBondContact N-O 3.43Å; N327-G330 PolarHBondContact O-N 3.46Å; N327-G330 PolarHBondContact OD1-N 3.44Å |
| 328 | S | 96.5 | Very high | 96.8 | Very high | 102 Ų | 102 | 40.7 Ų | 40.7 | 71% | 0.713 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -18 | 179.8 | 57.5 | 0 | 0 | 0 | 0 | 114.7 | ||
| 329 | L | 96.4 | Very high | 96.8 | Very high | 70 Ų | 70 | 41.4 Ų | 41.4 | 37% | 0.366 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -13.9 | -177.8 | -67 | 175.5 | 0 | 0 | 0 | 113.1 | R238 H239 A240 N327 | R238-L329 HydrophobicContact CB-CD1 3.59Å; H239-L329 VanDerWaalsContact N-CD1 3.32Å; A240-L329 HydrophobicContact CB-CB 4.33Å; N327-L329 PolarHBondContact O-N 2.7Å; N327-L329 PolarHBondContact OD1-N 2.99Å |
| 330 | G | 96.8 | Very high | 96.7 | Very high | 25 Ų | 25 | 44.9 Ų | 44.9 | 26% | 0.258 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 158 | -176.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | P241 S326 N327 | P241-G330 WeakPolarHBondContact CD-O 3.33Å; S326-G330 WeakPolarHBondContact CA-O 3.44Å; S326-G330 PolarHBondContact OG-O 3.41Å; N327-G330 PolarHBondContact N-O 3.43Å; N327-G330 PolarHBondContact O-N 3.46Å; N327-G330 PolarHBondContact OD1-N 3.44Å |
| 331 | T | 97.9 | Very high | 96.2 | Very high | 93 Ų | 93 | 43.1 Ų | 43.1 | 57% | 0.571 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 135.9 | 178.8 | -49.1 | 0 | 0 | 0 | 0 | 109.4 | A325 S326 | A325-T331 WeakPolarHBondContact O-CA 3.43Å; S326-T331 PolarHBondContact OG-OG1 3.26Å |
| 332 | I | 97.9 | Very high | 95.5 | Very high | 75 Ų | 75 | 51.6 Ų | 51.6 | 39% | 0.385 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 158.7 | 175.7 | -167.2 | 59 | 0 | 0 | 0 | 109.6 | P241 V243 T324 A325 | P241-I332 HydrophobicContact CB-CG2 3.81Å; P241-I332 HydrophobicContact CG-CG2 4.47Å; P241-I332 WeakPolarHBondContact O-CG2 3.02Å; V243-I332 HydrophobicContact CB-CG2 4.13Å; V243-I332 HydrophobicContact CG2-CG2 3.4Å; T324-I332 WeakPolarHBondContact CA-O 3.34Å; T324-I332 PolarHBondContact OG1-O 2.95Å; A325-I332 PolarHBondContact N-O 3.38Å; A325-I332 PolarHBondContact O-N 2.72Å |
| 333 | S | 97.4 | Very high | 94.5 | Very high | 61 Ų | 61 | 53.8 Ų | 53.8 | 43% | 0.427 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 147.6 | 173.7 | -62.3 | 0 | 0 | 0 | 0 | 111.3 | C323 T324 | C323-S333 CarbonylContact O-C 3.6Å; C323-S333 VanDerWaalsContact O-CA 3.23Å; C323-S333 WeakPolarHBondContact O-CA 3.43Å; T324-S333 WeakPolarHBondContact CB-OG 3.12Å; T324-S333 PolarHBondContact OG1-OG 3.23Å; T324-S333 VanDerWaalsContact OG1-OG 3.08Å |
| 334 | A | 98 | Very high | 93.4 | Very high | 23 Ų | 23 | 63.1 Ų | 63.1 | 19% | 0.19 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 147.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | V243 I245 T322 C323 | V243-A334 HydrophobicContact CB-CB 4.28Å; V243-A334 HydrophobicContact CG1-CB 3.71Å; I245-A334 HydrophobicContact CD1-CB 3.88Å; I245-A334 VanDerWaalsContact CD1-O 3.22Å; I245-A334 WeakPolarHBondContact CD1-O 3.22Å; I245-A334 HydrophobicContact CG1-CB 4.09Å; T322-A334 CarbonylContact C-O 3.55Å; T322-A334 VanDerWaalsContact CA-O 3.27Å; T322-A334 WeakPolarHBondContact CA-O 3.31Å; C323-A334 PolarHBondContact N-O 2.92Å; C323-A334 PolarHBondContact O-N 3.07Å |
| 335 | T | 97.8 | Very high | 92.3 | Very high | 81 Ų | 81 | 63.9 Ų | 63.9 | 50% | 0.497 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 140.1 | -177.1 | -51.4 | 0 | 0 | 0 | 0 | 110.1 | L320 Y321 T322 | L320-T335 HydrophobicContact CB-CG2 3.87Å; L320-T335 HydrophobicContact CD2-CG2 4.11Å; L320-T335 HydrophobicContact CG-CG2 4.45Å; Y321-T335 WeakPolarHBondContact O-CA 3.13Å; T322-T335 PolarHBondContact OG1-OG1 2.88Å |
| 336 | T | 97.2 | Very high | 91.3 | Very high | 13 Ų | 13 | 70.5 Ų | 70.5 | 8% | 0.08 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 158.2 | 168.9 | -168.3 | 0 | 0 | 0 | 0 | 110.4 | I245 V248 P250 L260 L320 Y321 | I245-T336 HydrophobicContact CD1-CG2 4.32Å; I245-T336 HydrophobicContact CG2-CG2 3.68Å; V248-T336 PolarHBondContact O-OG1 3.29Å; P250-T336 WeakPolarHBondContact CD-OG1 2.95Å; P250-T336 HydrophobicContact CG-CG2 4.01Å; L260-T336 HydrophobicContact CD1-CG2 4.33Å; L320-T336 WeakPolarHBondContact CA-O 3.18Å; Y321-T336 PolarHBondContact N-O 2.91Å; Y321-T336 PolarHBondContact O-N 2.95Å |
| 337 | M | 96.7 | Very high | 90.1 | Very high | 93 Ų | 93 | 74.2 Ų | 74.2 | 46% | 0.458 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 129.6 | 177 | -171 | 169.2 | 43.1 | 0 | 0 | 109.6 | D319 L320 T339 | D319-M337 WeakPolarHBondContact O-CA 3.27Å; L320-M337 HydrophobicContact CD2-CB 3.68Å; L320-M337 HydrophobicContact CD2-CG 4.01Å; L320-M337 HydrophobicContact CD2-SD 4.24Å; M337-T339 PolarHBondContact O-N 2.86Å |
| 338 | I | 94.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 43% | 0.43 | C | S | . | . | trans | -79.8 | 125 | 174.9 | -51.1 | 171.5 | 0 | 0 | 0 | 109.3 | P250 L258 L260 L309 I312 F317 G318 D319 Y321 | P250-I338 HydrophobicContact CG-CG1 4.24Å; L258-I338 HydrophobicContact CD2-CD1 3.8Å; L258-I338 HydrophobicContact CD2-CG1 4.01Å; L258-I338 HydrophobicContact CD2-CG2 3.68Å; L260-I338 HydrophobicContact CD1-CD1 4.31Å; L260-I338 HydrophobicContact CD1-CG1 4.43Å; L309-I338 HydrophobicContact CD1-CD1 3.61Å; I312-I338 HydrophobicContact CD1-CD1 4.33Å; I312-I338 HydrophobicContact CD1-CG2 3.66Å; F317-I338 HydrophobicContact CD1-CG2 3.96Å; F317-I338 HydrophobicContact CE1-CG2 4.1Å; G318-I338 PolarHBondContact N-O 3.35Å; D319-I338 PolarHBondContact O-N 2.92Å; Y321-I338 HydrophobicContact CD2-CD1 3.65Å; Y321-I338 HydrophobicContact CD2-CG1 3.85Å; Y321-I338 HydrophobicContact CE2-CD1 3.22Å; Y321-I338 HydrophobicContact CE2-CG1 3.83Å | ||
| 339 | T | 93.4 | Very high | 88.3 | Confident | 54 Ų | 54 | 80 Ų | 80 | 33% | 0.331 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 139.8 | 179.7 | -52.5 | 0 | 0 | 0 | 0 | 110.3 | P250 F251 Q252 M337 | P250-T339 PolarHBondContact O-N 2.91Å; F251-T339 WeakPolarHBondContact CA-O 3.45Å; F251-T339 VanDerWaalsContact CD1-CB 3.47Å; F251-T339 HydrophobicContact CD1-CG2 3.69Å; F251-T339 HydrophobicContact CE1-CG2 3.53Å; Q252-T339 PolarHBondContact N-O 2.92Å; Q252-T339 VanDerWaalsContact N-O 3.16Å; M337-T339 PolarHBondContact O-N 2.86Å |
| 340 | E | 92 | Very high | 87.2 | Confident | 74 Ų | 74 | 80.1 Ų | 80.1 | 35% | 0.346 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 134.4 | 178 | -171.5 | 167.5 | -157.6 | 0 | 0 | 110.8 | Q252 F317 | Q252-E340 WeakPolarHBondContact O-CA 3.27Å; F317-E340 HydrophobicContact CB-CB 4.31Å; F317-E340 HydrophobicContact CD1-CB 3.75Å; F317-E340 HydrophobicContact CD1-CG 4.35Å; F317-E340 HydrophobicContact CD2-CB 4.2Å; F317-E340 HydrophobicContact CD2-CG 4.19Å; F317-E340 HydrophobicContact CE1-CB 4.1Å; F317-E340 HydrophobicContact CE1-CG 4.31Å; F317-E340 HydrophobicContact CE2-CG 4.17Å; F317-E340 HydrophobicContact CG-CB 3.82Å; F317-E340 HydrophobicContact CG-CG 4.31Å; F317-E340 HydrophobicContact CZ-CB 4.5Å; F317-E340 HydrophobicContact CZ-CG 4.24Å |
| 341 | S | 86.1 | Confident | 86.1 | Confident | 30 Ų | 30 | 87.4 Ų | 87.4 | 21% | 0.21 | 48% | 0.476 | C | S | . | . | trans | -93.8 | 126.5 | 172.7 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | Q252 S343 | Q252-S341 PolarHBondContact O-N 2.63Å; S341-S343 VanDerWaalsContact C-N 3.26Å; S341-S343 PolarHBondContact O-N 3.4Å; S341-S343 PolarHBondContact OG-N 3.38Å; S341-S343 PolarHBondContact OG-OG 3.04Å | ||
| 342 | F | 80.3 | Confident | 85.1 | Confident | 184 Ų | 184 | 85.2 Ų | 85.2 | 81% | 0.807 | 46% | 0.459 | S | S | * | . | trans | -84 | 1 | 176.8 | -58.2 | -72.8 | 0 | 0 | 0 | 113.6 | ||||
| 343 | S | 77.1 | Confident | 84.1 | Confident | 76 Ų | 76 | 82.8 Ų | 82.8 | 53% | 0.531 | 45% | 0.45 | S | S | . | . | trans | -60.6 | 138.8 | 178.9 | -61.3 | 0 | 0 | 0 | 0 | 111.5 | K253 S341 V345 | K253-S343 WeakPolarHBondContact CD-O 3.46Å; K253-S343 PolarHBondContact NZ-O 3.32Å; S341-S343 VanDerWaalsContact C-N 3.26Å; S341-S343 PolarHBondContact O-N 3.4Å; S341-S343 PolarHBondContact OG-N 3.38Å; S341-S343 PolarHBondContact OG-OG 3.04Å; S343-V345 PolarHBondContact O-N 3.09Å | ||
| 344 | E | 74.1 | Confident | 83.3 | Confident | 195 Ų | 195 | 82.3 Ų | 82.3 | 91% | 0.911 | 45% | 0.446 | S | S | * | . | trans | -65.6 | 132.8 | 172.2 | -67.7 | -172.2 | 176.8 | 0 | 0 | 109.7 | ||||
| 345 | V | 75.3 | Confident | 82.2 | Confident | 35 Ų | 35 | 83.7 Ų | 83.7 | 21% | 0.212 | 45% | 0.45 | C | S | . | . | trans | -122.8 | 117.2 | 179.7 | 177.6 | 0 | 0 | 0 | 0 | 107.1 | K253 S343 H352 C354 | K253-V345 HydrophobicContact CB-CG2 4.2Å; K253-V345 HydrophobicContact CD-CB 3.89Å; K253-V345 HydrophobicContact CD-CG2 3.44Å; K253-V345 VanDerWaalsContact CD-CG2 3.44Å; K253-V345 HydrophobicContact CG-CG2 4.44Å; S343-V345 PolarHBondContact O-N 3.09Å; V345-H352 HydrophobicContact CG1-CB 3.89Å; V345-C354 HydrophobicContact CG1-CB 4.16Å | ||
| 346 | L | 76.5 | Confident | 80.6 | Confident | 139 Ų | 139 | 84.4 Ų | 84.4 | 73% | 0.728 | 45% | 0.447 | S | S | * | . | trans | -62.5 | 143.1 | 177 | -71.3 | 157.9 | 0 | 0 | 0 | 110.4 | A353 | L346-A353 HydrophobicContact CB-CB 4.19Å; L346-A353 WeakPolarHBondContact O-CB 3.23Å; L346-A353 PolarHBondContact O-N 3.41Å | ||
| 347 | L | 74.4 | Confident | 78.6 | Confident | 113 Ų | 113 | 88.1 Ų | 88.1 | 59% | 0.592 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 118.4 | 170.8 | -73.8 | 161.4 | 0 | 0 | 0 | 108.6 | R351 | L347-R351 WeakPolarHBondContact CA-O 3.17Å |
| 348 | I | 76.9 | Confident | 76.2 | Confident | 82 Ų | 82 | 88.3 Ų | 88.3 | 42% | 0.421 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 118.2 | 175.3 | -57.4 | 173.6 | 0 | 0 | 0 | 106.9 | G350 R351 A353 | I348-G350 PolarHBondContact O-N 3.34Å; I348-R351 PolarHBondContact N-O 3.17Å; I348-R351 PolarHBondContact O-N 2.67Å; I348-A353 HydrophobicContact CD1-CB 3.9Å; I348-A353 HydrophobicContact CG1-CB 4.22Å |
| 349 | N | 78.4 | Confident | 73.4 | Confident | 164 Ų | 164 | 94.3 Ų | 94.3 | 88% | 0.877 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 39.7 | -178.9 | -59.3 | -27.6 | 0 | 0 | 0 | 113.8 | R351 | N349-R351 VanDerWaalsContact C-N 3.3Å; N349-R351 PolarHBondContact O-N 3.49Å |
| 350 | G | 73.1 | Confident | 70.5 | Confident | 72 Ų | 72 | 102.5 Ų | 102.5 | 74% | 0.742 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | 3.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | I348 | I348-G350 PolarHBondContact O-N 3.34Š|
| 351 | R | 73.4 | Confident | 67.7 | Low | 178 Ų | 178 | 105 Ų | 105 | 67% | 0.672 | 56% | 0.557 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -112.3 | 144.6 | 171.4 | -70.5 | -175.2 | 178.4 | -170.3 | -0.1 | 110.9 | L347 I348 N349 A353 | L347-R351 WeakPolarHBondContact CA-O 3.17Å; I348-R351 PolarHBondContact N-O 3.17Å; I348-R351 PolarHBondContact O-N 2.67Å; N349-R351 VanDerWaalsContact C-N 3.3Å; N349-R351 PolarHBondContact O-N 3.49Å; R351-A353 PolarHBondContact O-N 3.28Å |
| 352 | H | 77.4 | Confident | 65.1 | Low | 48 Ų | 48 | 110.7 Ų | 110.7 | 22% | 0.222 | 58% | 0.58 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -62 | 130.1 | 173.2 | -66 | 105.3 | 0 | 0 | 0 | 110.4 | G255 V345 C354 N355 | G255-H352 PolarHBondContact O-ND1 2.82Å; G255-H352 VanDerWaalsContact O-ND1 3.15Å; V345-H352 HydrophobicContact CG1-CB 3.89Å; H352-C354 WeakPolarHBondContact CB-SG 3.37Å; H352-C354 PolarHBondContact O-N 3.48Å; H352-C354 VanDerWaalsContact O-N 3.15Å; H352-N355 WeakPolarHBondContact O-CB 3.43Å; H352-N355 PolarHBondContact O-N 3.2Å |
| 353 | A | 76.9 | Confident | 62.8 | Low | 23 Ų | 23 | 108.3 Ų | 108.3 | 19% | 0.19 | 57% | 0.573 | C | S | . | * | G | 310 helix | trans | -59.3 | -26.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113 | L346 I348 R351 N355 H356 | L346-A353 HydrophobicContact CB-CB 4.19Å; L346-A353 WeakPolarHBondContact O-CB 3.23Å; L346-A353 PolarHBondContact O-N 3.41Å; I348-A353 HydrophobicContact CD1-CB 3.9Å; I348-A353 HydrophobicContact CG1-CB 4.22Å; R351-A353 PolarHBondContact O-N 3.28Å; A353-N355 PolarHBondContact O-N 3.43Å; A353-N355 VanDerWaalsContact O-N 3.12Å; A353-H356 PolarHBondContact O-N 3.01Å |
| 354 | C | 79.7 | Confident | 60.8 | Low | 51 Ų | 51 | 110.2 Ų | 110.2 | 35% | 0.345 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -56.3 | -23.1 | 172.2 | 58.5 | 0 | 0 | 0 | 0 | 114 | C256 V345 H352 | C256-C354 VanDerWaalsContact CA-SG 3.52Å; C256-C354 HydrophobicContact CB-CB 3.95Å; C256-C354 WeakPolarHBondContact CB-SG 3.41Å; C256-C354 WeakPolarHBondContact SG-CB 3.34Å; C256-C354 CovalentContact SG-SG 2.02Å; C256-C354 PolarHBondContact SG-SG 3.05Å; V345-C354 HydrophobicContact CG1-CB 4.16Å; H352-C354 WeakPolarHBondContact CB-SG 3.37Å; H352-C354 PolarHBondContact O-N 3.48Å; H352-C354 VanDerWaalsContact O-N 3.15Å |
| 355 | N | 75.2 | Confident | 59.3 | Low | 52 Ų | 52 | 104.2 Ų | 104.2 | 28% | 0.278 | 56% | 0.561 | S | S | . | * | G | 310 helix | trans | -88.1 | -9.1 | 180 | -65.1 | -25 | 0 | 0 | 0 | 112.9 | G255 C256 N257 H352 A353 | G255-N355 PolarHBondContact O-ND2 3.11Å; G255-N355 VanDerWaalsContact O-ND2 3.1Å; C256-N355 VanDerWaalsContact CA-OD1 3.28Å; C256-N355 WeakPolarHBondContact CA-OD1 3.27Å; N257-N355 PolarHBondContact N-OD1 2.99Å; H352-N355 WeakPolarHBondContact O-CB 3.43Å; H352-N355 PolarHBondContact O-N 3.2Å; A353-N355 PolarHBondContact O-N 3.43Å; A353-N355 VanDerWaalsContact O-N 3.12Å |
| 356 | H | 64 | Low | 57.6 | Low | 96 Ų | 96 | 110.5 Ų | 110.5 | 44% | 0.444 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -83.7 | 128 | 172.8 | -85.2 | -88.2 | 0 | 0 | 0 | 109.3 | A353 V358 | A353-H356 PolarHBondContact O-N 3.01Å; H356-V358 PolarHBondContact O-N 2.97Å |
| 357 | A | 54.7 | Low | 56 | Low | 92 Ų | 92 | 110.2 Ų | 110.2 | 76% | 0.76 | 58% | 0.581 | S | S | * | * | trans | -63.1 | 94.1 | 162.1 | 0 | 0 | 0 | 0 | 0 | 107 | N359 | A357-N359 PolarHBondContact O-N 2.99Š| ||
| 358 | V | 47.3 | Very low | 54.2 | Low | 97 Ų | 97 | 110.9 Ų | 110.9 | 59% | 0.588 | 58% | 0.584 | S | S | * | * | trans | -69.1 | 92.8 | 173.8 | -176.7 | 0 | 0 | 0 | 0 | 106 | H356 W360 | H356-V358 PolarHBondContact O-N 2.97Å; V358-W360 VanDerWaalsContact C-N 3.33Å; V358-W360 PolarHBondContact O-N 3.02Å | ||
| 359 | N | 35.3 | Very low | 52.2 | Low | 125 Ų | 125 | 112.4 Ų | 112.4 | 67% | 0.668 | 59% | 0.592 | S | S | * | * | trans | -56.1 | 104.3 | 160.7 | -86.1 | -19.4 | 0 | 0 | 0 | 105.7 | A357 I361 | A357-N359 PolarHBondContact O-N 2.99Å; N359-I361 HydrophobicContact CB-CD1 4.03Å; N359-I361 HydrophobicContact CB-CG1 4.04Å; N359-I361 PolarHBondContact O-N 3.29Å | ||
| 360 | W | 33.5 | Very low | 50.4 | Low | 226 Ų | 226 | 108.3 Ų | 108.3 | 86% | 0.856 | 58% | 0.575 | S | S | * | * | trans | -68.2 | 55 | 165.1 | -74.9 | 89.6 | 0 | 0 | 0 | 109.3 | V358 H362 | V358-W360 VanDerWaalsContact C-N 3.33Å; V358-W360 PolarHBondContact O-N 3.02Å; W360-H362 PolarHBondContact O-N 3.03Å | ||
| 361 | I | 32.2 | Very low | 49 | Very low | 126 Ų | 126 | 110.8 Ų | 110.8 | 65% | 0.646 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -90.3 | 93.1 | 166.3 | -62 | 172.7 | 0 | 0 | 0 | 104.3 | N359 | N359-I361 HydrophobicContact CB-CD1 4.03Å; N359-I361 HydrophobicContact CB-CG1 4.04Å; N359-I361 PolarHBondContact O-N 3.29Å |
| 362 | H | 31 | Very low | 47.2 | Very low | 151 Ų | 151 | 110.3 Ų | 110.3 | 70% | 0.699 | 58% | 0.576 | S | S | * | * | trans | 57.5 | 71.1 | 161.4 | -68.8 | -89.2 | 0 | 0 | 0 | 117.3 | W360 N364 | W360-H362 PolarHBondContact O-N 3.03Å; H362-N364 PolarHBondContact O-N 3.19Å | ||
| 363 | M | 33.3 | Very low | 45.4 | Very low | 133 Ų | 133 | 112.7 Ų | 112.7 | 66% | 0.655 | 60% | 0.597 | S | S | * | * | trans | -85.3 | 35.5 | 150.5 | -79.7 | -167.5 | 114.6 | 0 | 0 | 112.4 | A365 Y366 | M363-A365 PolarHBondContact O-N 3.09Å; M363-A365 VanDerWaalsContact O-N 3.14Å; M363-Y366 HydrophobicContact CE-CD2 4.11Å; M363-Y366 HydrophobicContact CE-CE2 3.77Å | ||
| 364 | N | 34.9 | Very low | 43.6 | Very low | 117 Ų | 117 | 119.6 Ų | 119.6 | 63% | 0.626 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 7.1 | 166 | -98.1 | -16.2 | 0 | 0 | 0 | 113.2 | H362 | H362-N364 PolarHBondContact O-N 3.19Š|
| 365 | A | 41.8 | Very low | 41.6 | Very low | 68 Ų | 68 | 123.5 Ų | 123.5 | 56% | 0.562 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -14.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | M363 | M363-A365 PolarHBondContact O-N 3.09Å; M363-A365 VanDerWaalsContact O-N 3.14Å |
| 366 | Y | 39.8 | Very low | 39.8 | Very low | 168 Ų | 168 | 128.1 Ų | 128.1 | 66% | 0.659 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -93.9 | -4.6 | -178.4 | -78.6 | -76.8 | 0 | 0 | 0 | 115.4 | M363 | M363-Y366 HydrophobicContact CE-CD2 4.11Å; M363-Y366 HydrophobicContact CE-CE2 3.77Å |
| 367 | L | 42 | Very low | 38.7 | Very low | 133 Ų | 133 | 131.1 Ų | 131.1 | 70% | 0.696 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -80.7 | -15.3 | 170.9 | -119.8 | 99.4 | 0 | 0 | 0 | 113.7 | S370 | L367-S370 PolarHBondContact O-OG 3.47Š|
| 368 | I | 37.7 | Very low | 37.9 | Very low | 127 Ų | 127 | 134 Ų | 134 | 65% | 0.651 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -84.8 | -18 | -174.9 | -60.7 | -180 | 0 | 0 | 0 | 113 | S370 | I368-S370 VanDerWaalsContact C-N 3.3Å; I368-S370 PolarHBondContact O-N 3.15Å |
| 369 | I | 35.4 | Very low | 37.4 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 59% | 0.585 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -81 | -11 | 178.4 | -57.2 | 179.4 | 0 | 0 | 0 | 112.4 | I371 | I369-I371 PolarHBondContact O-N 3.05Š|
| 370 | S | 40.2 | Very low | 37.4 | Very low | 77 Ų | 77 | 144 Ų | 144 | 54% | 0.538 | 72% | 0.72 | S | S | . | * | G | 310 helix | trans | -70.6 | -13.9 | 176.1 | 74 | 0 | 0 | 0 | 0 | 114.4 | L367 I368 | L367-S370 PolarHBondContact O-OG 3.47Å; I368-S370 VanDerWaalsContact C-N 3.3Å; I368-S370 PolarHBondContact O-N 3.15Å |
| 371 | I | 42.7 | Very low | 37.6 | Very low | 125 Ų | 125 | 139.9 Ų | 139.9 | 64% | 0.641 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -89.9 | -21.2 | -177 | -63 | 175.8 | 0 | 0 | 0 | 112.7 | I369 | I369-I371 PolarHBondContact O-N 3.05Š|
| 372 | Q | 36.9 | Very low | 37.8 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 78% | 0.78 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -15.4 | 178 | -79.4 | -161 | -32.3 | 0 | 0 | 115 | ||
| 373 | C | 38.7 | Very low | 38.2 | Very low | 98 Ų | 98 | 140 Ų | 140 | 66% | 0.662 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -83.1 | -13 | 174.2 | -77.7 | 0 | 0 | 0 | 0 | 114.1 | ||
| 374 | F | 39.1 | Very low | 38.5 | Very low | 168 Ų | 168 | 140.4 Ų | 140.4 | 74% | 0.737 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -85.8 | -13.7 | -176.4 | -113.3 | -86.1 | 0 | 0 | 0 | 115.2 | ||
| 375 | N | 38.1 | Very low | 38.7 | Very low | 133 Ų | 133 | 141.9 Ų | 141.9 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -98.6 | 3 | -176.7 | -83.6 | -18.6 | 0 | 0 | 0 | 115.8 | ||
| 376 | L | 37.9 | Very low | 38.5 | Very low | 150 Ų | 150 | 146.8 Ų | 146.8 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -102.5 | 3.1 | 176.6 | -94.5 | 150.1 | 0 | 0 | 0 | 114.5 | ||
| 377 | L | 40.1 | Very low | 38.4 | Very low | 158 Ų | 158 | 145.3 Ų | 145.3 | 83% | 0.827 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -106.1 | 11.9 | 177 | -90.7 | 155.8 | 0 | 0 | 0 | 114.6 | ||
| 378 | L | 39 | Very low | 38.2 | Very low | 152 Ų | 152 | 146.2 Ų | 146.2 | 80% | 0.796 | 75% | 0.747 | S | S | * | * | trans | -116.8 | 33 | 176 | -83.8 | 165.5 | 0 | 0 | 0 | 114.1 | ||||
| 379 | I | 35.7 | Very low | 38.2 | Very low | 157 Ų | 157 | 147.8 Ų | 147.8 | 81% | 0.805 | 76% | 0.755 | S | S | * | * | trans | -125.3 | 76.8 | 162 | -50.4 | 175.3 | 0 | 0 | 0 | 108 | ||||
| 380 | K | 35 | Very low | 38.5 | Very low | 275 Ų | 275 | 150.9 Ų | 150.9 | 100% | 1.196 | 77% | 0.771 | S | S | * | * | trans | -108.8 | 0 | 144.1 | -91.4 | -173.5 | 175.5 | -179.1 | 0 | 105.8 |
Retrieved 380 of 380 residues in 108 ms
(Link to these results)