| 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 | 49.5 | Very low | 57.2 | Low | 247 Ų | 247 | 167.1 Ų | 167.1 | 100% | 1.217 | 84% | 0.837 | S | S | * | * | 0 | 114.8 | 0 | -68.9 | 178.9 | 179.6 | 0 | 0 | 108.4 | |||||
| 2 | L | 44.2 | Very low | 57.4 | Low | 169 Ų | 169 | 161.3 Ų | 161.3 | 89% | 0.885 | 83% | 0.834 | S | S | * | * | trans | -103.8 | 102.9 | -173.8 | -162.7 | 75.6 | 0 | 0 | 0 | 109.9 | K4 | L2-K4 PolarHBondContact O-N 3.39Š| ||
| 3 | R | 52.6 | Low | 57.5 | Low | 239 Ų | 239 | 159.2 Ų | 159.2 | 90% | 0.902 | 83% | 0.833 | S | S | * | * | trans | -79.8 | 110.1 | 174.6 | -81.5 | -176 | 170.4 | -179.8 | -3 | 109.5 | V5 | R3-V5 PolarHBondContact O-N 3.42Š| ||
| 4 | K | 58.3 | Low | 57.4 | Low | 190 Ų | 190 | 154.6 Ų | 154.6 | 83% | 0.826 | 83% | 0.829 | S | S | * | * | trans | -69.6 | 120.3 | 167.1 | -70.7 | -178.1 | 175.8 | -178.8 | 0 | 109 | L2 | L2-K4 PolarHBondContact O-N 3.39Š| ||
| 5 | V | 62.9 | Low | 57.7 | Low | 127 Ų | 127 | 151.5 Ų | 151.5 | 77% | 0.77 | 82% | 0.824 | S | S | * | * | trans | -86.5 | 123 | 164.5 | 177.1 | 0 | 0 | 0 | 0 | 107.2 | R3 | R3-V5 PolarHBondContact O-N 3.42Š| ||
| 6 | I | 65.7 | Low | 58.4 | Low | 147 Ų | 147 | 146.8 Ų | 146.8 | 75% | 0.754 | 81% | 0.812 | S | S | * | * | trans | -96.7 | 106.5 | 172.3 | -62.6 | 175.8 | 0 | 0 | 0 | 107 | L8 | I6-L8 HydrophobicContact CG2-CD1 4.44Å; I6-L8 PolarHBondContact O-N 3.48Å | ||
| 7 | T | 62.1 | Low | 59.4 | Low | 114 Ų | 114 | 144.5 Ų | 144.5 | 70% | 0.699 | 80% | 0.803 | S | S | * | * | trans | -82.3 | 111.2 | 173 | -50.4 | 0 | 0 | 0 | 0 | 108.9 | I9 | T7-I9 PolarHBondContact O-N 3.35Š| ||
| 8 | L | 58.3 | Low | 60.8 | Low | 147 Ų | 147 | 149.5 Ų | 149.5 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | trans | -70.3 | 119 | 166.4 | -97.8 | 82.7 | 0 | 0 | 0 | 109.2 | I6 | I6-L8 HydrophobicContact CG2-CD1 4.44Å; I6-L8 PolarHBondContact O-N 3.48Å | ||
| 9 | I | 62.2 | Low | 62.4 | Low | 145 Ų | 145 | 145 Ų | 145 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | trans | -87.5 | 105.8 | 166.5 | -61.3 | 176.1 | 0 | 0 | 0 | 107.4 | T7 L11 | T7-I9 PolarHBondContact O-N 3.35Å; I9-L11 HydrophobicContact CG2-CG 4.48Å; I9-L11 PolarHBondContact O-N 3.15Å; I9-L11 VanDerWaalsContact O-N 3.15Å | ||
| 10 | L | 57.9 | Low | 63.9 | Low | 163 Ų | 163 | 142.5 Ų | 142.5 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | trans | -74.1 | 98.2 | 167.1 | -85.5 | 161.8 | 0 | 0 | 0 | 108.9 | A12 | L10-A12 PolarHBondContact O-N 3.01Š| ||
| 11 | L | 56.3 | Low | 65.5 | Low | 150 Ų | 150 | 136.9 Ų | 136.9 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | trans | -68 | 97.1 | 166.2 | -83.5 | 159.9 | 0 | 0 | 0 | 109 | I9 V13 | I9-L11 HydrophobicContact CG2-CG 4.48Å; I9-L11 PolarHBondContact O-N 3.15Å; I9-L11 VanDerWaalsContact O-N 3.15Å; L11-V13 PolarHBondContact O-N 3.03Å | ||
| 12 | A | 59.6 | Low | 67.7 | Low | 97 Ų | 97 | 125.1 Ų | 125.1 | 80% | 0.802 | 68% | 0.675 | S | S | * | * | trans | -67.4 | 98.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109 | L10 A14 | L10-A12 PolarHBondContact O-N 3.01Å; A12-A14 VanDerWaalsContact C-N 3.29Å; A12-A14 PolarHBondContact O-N 2.94Å | ||
| 13 | V | 57.6 | Low | 70.1 | Confident | 135 Ų | 135 | 122 Ų | 122 | 82% | 0.818 | 65% | 0.652 | S | S | * | * | trans | -72.6 | 89.3 | 171.4 | -176.2 | 0 | 0 | 0 | 0 | 107.9 | L11 S15 | L11-V13 PolarHBondContact O-N 3.03Å; V13-S15 PolarHBondContact O-N 3.01Å | ||
| 14 | A | 57 | Low | 72.1 | Confident | 95 Ų | 95 | 111.7 Ų | 111.7 | 79% | 0.785 | 62% | 0.616 | S | S | * | * | trans | -65 | 103 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | A12 A16 | A12-A14 VanDerWaalsContact C-N 3.29Å; A12-A14 PolarHBondContact O-N 2.94Å; A14-A16 PolarHBondContact O-N 3.03Å | ||
| 15 | S | 61.8 | Low | 73.6 | Confident | 107 Ų | 107 | 106.5 Ų | 106.5 | 75% | 0.748 | 60% | 0.599 | S | S | * | * | trans | -66.7 | 101.8 | 172.8 | 55.1 | 0 | 0 | 0 | 0 | 108.8 | V13 V17 | V13-S15 PolarHBondContact O-N 3.01Å; S15-V17 PolarHBondContact O-N 3.22Å | ||
| 16 | A | 68 | Low | 74.8 | Confident | 77 Ų | 77 | 104.8 Ų | 104.8 | 64% | 0.636 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 127.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | A14 R18 | A14-A16 PolarHBondContact O-N 3.03Å; A16-R18 PolarHBondContact O-N 3.29Å |
| 17 | V | 75.5 | Confident | 75.7 | Confident | 108 Ų | 108 | 102.5 Ų | 102.5 | 66% | 0.655 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 119.6 | 175.9 | 177.5 | 0 | 0 | 0 | 0 | 108.1 | S15 Y19 | S15-V17 PolarHBondContact O-N 3.22Å; V17-Y19 HydrophobicContact CB-CE2 4.5Å; V17-Y19 HydrophobicContact CG1-CE1 4.11Å; V17-Y19 HydrophobicContact CG1-CE2 4.12Å |
| 18 | R | 85.4 | Confident | 76.9 | Confident | 234 Ų | 234 | 97.7 Ų | 97.7 | 88% | 0.883 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -94.2 | 118.8 | 176.3 | -69.1 | -175.4 | 178.3 | -177.3 | -1.8 | 109.6 | A16 | A16-R18 PolarHBondContact O-N 3.29Š|
| 19 | Y | 90.9 | Very high | 78 | Confident | 64 Ų | 64 | 97.8 Ų | 97.8 | 25% | 0.251 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -87.1 | 128.4 | 170.7 | -58.4 | -82.4 | 0 | 0 | 0 | 109.5 | V17 V25 S156 D157 V160 | V17-Y19 HydrophobicContact CB-CE2 4.5Å; V17-Y19 HydrophobicContact CG1-CE1 4.11Å; V17-Y19 HydrophobicContact CG1-CE2 4.12Å; Y19-V25 HydrophobicContact CD1-CG2 4.35Å; Y19-V25 HydrophobicContact CE1-CG2 3.96Å; Y19-S156 VanDerWaalsContact CZ-CA 3.47Å; Y19-S156 WeakPolarHBondContact OH-CA 3.43Å; Y19-D157 PolarHBondContact OH-N 3.4Å; Y19-D157 PolarHBondContact OH-OD1 3.49Å; Y19-V160 HydrophobicContact CD1-CG2 3.69Å; Y19-V160 HydrophobicContact CE1-CG2 4.44Å; Y19-V160 HydrophobicContact CG-CG2 4.28Å |
| 20 | E | 93 | Very high | 78.7 | Confident | 95 Ų | 95 | 97.2 Ų | 97.2 | 44% | 0.444 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -103.1 | 149.4 | 170.5 | -68.4 | -174.9 | -169.8 | 0 | 0 | 109.7 | G22 R23 V160 K245 | E20-G22 PolarHBondContact O-N 2.76Å; E20-R23 HydrophobicContact CB-CB 4.38Å; E20-R23 HydrophobicContact CB-CG 4.14Å; E20-R23 PolarHBondContact O-N 3.5Å; E20-R23 WeakPolarHBondContact OE2-CD 3.48Å; E20-R23 IonicContact OE2-CZ 3.69Å; E20-R23 IonicContact OE2-NE 2.76Å; E20-R23 PolarHBondContact OE2-NE 2.92Å; E20-R23 IonicContact OE2-NH2 3.73Å; E20-V160 WeakPolarHBondContact O-CG1 3.47Å; E20-K245 IonicContact OE2-NZ 3.97Å |
| 21 | C | 96.4 | Very high | 79.2 | Confident | 25 Ų | 25 | 91.6 Ų | 91.6 | 17% | 0.169 | 51% | 0.508 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 145.6 | 171.8 | 70.9 | 0 | 0 | 0 | 0 | 111.1 | R23 P161 C163 | C21-R23 PolarHBondContact O-N 3.36Å; C21-P161 CarbonylContact C-O 3.4Å; C21-P161 VanDerWaalsContact CA-O 3.25Å; C21-P161 WeakPolarHBondContact CA-O 3.49Å; C21-P161 HydrophobicContact CB-CG 4.29Å; C21-C163 HydrophobicContact CB-CB 4.07Å; C21-C163 WeakPolarHBondContact CB-SG 3.42Å; C21-C163 PolarHBondContact O-SG 2.76Å; C21-C163 WeakPolarHBondContact SG-CA 3.13Å; C21-C163 WeakPolarHBondContact SG-CB 3.25Å; C21-C163 CovalentContact SG-SG 2.05Å; C21-C163 PolarHBondContact SG-SG 2.9Å |
| 22 | G | 96.5 | Very high | 79.4 | Confident | 0 Ų | 0 | 87.7 Ų | 87.7 | 0% | 0 | 49% | 0.491 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 11.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | E20 P24 P161 K245 Y246 | E20-G22 PolarHBondContact O-N 2.76Å; G22-P24 WeakPolarHBondContact O-CD 3.47Å; G22-P161 PolarHBondContact N-O 3.48Å; G22-K245 CarbonylContact O-C 3.52Å; G22-K245 WeakPolarHBondContact O-CA 3.23Å; G22-Y246 VanDerWaalsContact CA-O 3.25Å; G22-Y246 WeakPolarHBondContact CA-O 3.15Å; G22-Y246 WeakPolarHBondContact O-CD2 3.08Å; G22-Y246 PolarHBondContact O-N 3.03Å |
| 23 | R | 95.1 | Very high | 78.9 | Confident | 103 Ų | 103 | 87.9 Ų | 87.9 | 39% | 0.389 | 49% | 0.493 | S | S | . | . | trans | -112.2 | 96.1 | 175.5 | -69.1 | -161.2 | -173.2 | -87 | 9.2 | 110.4 | E20 C21 K245 | E20-R23 HydrophobicContact CB-CB 4.38Å; E20-R23 HydrophobicContact CB-CG 4.14Å; E20-R23 PolarHBondContact O-N 3.5Å; E20-R23 WeakPolarHBondContact OE2-CD 3.48Å; E20-R23 IonicContact OE2-CZ 3.69Å; E20-R23 IonicContact OE2-NE 2.76Å; E20-R23 PolarHBondContact OE2-NE 2.92Å; E20-R23 IonicContact OE2-NH2 3.73Å; C21-R23 PolarHBondContact O-N 3.36Å; R23-K245 HydrophobicContact CG-CG 4.44Å | ||
| 24 | P | 93.8 | Very high | 78.4 | Confident | 23 Ų | 23 | 90.9 Ų | 90.9 | 15% | 0.149 | 50% | 0.495 | C | S | . | . | trans | -73.6 | 140.7 | 175.4 | 32.9 | -34.2 | 0 | 0 | 0 | 110.3 | G22 K26 I28 S51 P53 W54 Y246 | G22-P24 WeakPolarHBondContact O-CD 3.47Å; P24-K26 VanDerWaalsContact C-N 3.28Å; P24-K26 WeakPolarHBondContact CB-O 3.1Å; P24-K26 PolarHBondContact O-N 2.99Å; P24-I28 HydrophobicContact CG-CD1 4.24Å; P24-I28 HydrophobicContact CG-CG1 4.43Å; P24-S51 VanDerWaalsContact CB-O 3.26Å; P24-S51 WeakPolarHBondContact CB-O 3.17Å; P24-P53 HydrophobicContact CB-CG 3.94Å; P24-W54 HydrophobicContact CB-CH2 4.34Å; P24-W54 HydrophobicContact CB-CZ3 4.26Å; P24-W54 HydrophobicContact CG-CH2 4.09Å; P24-W54 HydrophobicContact CG-CZ3 4.35Å; P24-Y246 HydrophobicContact CG-CD2 4.39Å; P24-Y246 HydrophobicContact CG-CE2 4.29Å | ||
| 25 | V | 88.9 | Confident | 77.7 | Confident | 80 Ų | 80 | 89.9 Ų | 89.9 | 49% | 0.485 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -66.8 | -33.9 | 176.2 | 177.5 | 0 | 0 | 0 | 0 | 111 | Y19 D157 | Y19-V25 HydrophobicContact CD1-CG2 4.35Å; Y19-V25 HydrophobicContact CE1-CG2 3.96Å; V25-D157 HydrophobicContact CB-CB 4.4Å; V25-D157 HydrophobicContact CG1-CB 4.48Å; V25-D157 HydrophobicContact CG2-CB 4.43Å |
| 26 | K | 88.3 | Confident | 76.8 | Confident | 92 Ų | 92 | 95 Ų | 95 | 40% | 0.4 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -94.4 | 128.2 | 172.2 | -70.5 | 170.9 | 175.7 | 170.5 | 0 | 110 | P24 I28 P49 N50 | P24-K26 VanDerWaalsContact C-N 3.28Å; P24-K26 WeakPolarHBondContact CB-O 3.1Å; P24-K26 PolarHBondContact O-N 2.99Å; K26-I28 PolarHBondContact O-N 2.89Å; K26-P49 WeakPolarHBondContact CD-O 3.25Å; K26-P49 PolarHBondContact NZ-O 3.16Å; K26-N50 HydrophobicContact CD-CB 4.25Å |
| 27 | S | 85.3 | Confident | 75.6 | Confident | 98 Ų | 98 | 99.6 Ų | 99.6 | 69% | 0.685 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 130.8 | 175.3 | 51.1 | 0 | 0 | 0 | 0 | 111.4 | R29 | S27-R29 PolarHBondContact O-N 3.2Š|
| 28 | I | 87.3 | Confident | 73.8 | Confident | 14 Ų | 14 | 104.4 Ų | 104.4 | 7% | 0.072 | 50% | 0.499 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 120.5 | 169.5 | -70.9 | 162.4 | 0 | 0 | 0 | 107.8 | P24 K26 S51 F52 W54 Y178 Y246 | P24-I28 HydrophobicContact CG-CD1 4.24Å; P24-I28 HydrophobicContact CG-CG1 4.43Å; K26-I28 PolarHBondContact O-N 2.89Å; I28-S51 WeakPolarHBondContact CD1-O 3.47Å; I28-S51 WeakPolarHBondContact CG1-O 3.15Å; I28-F52 HydrophobicContact CB-CE2 4.38Å; I28-F52 HydrophobicContact CB-CZ 4.26Å; I28-F52 HydrophobicContact CD1-CD1 3.75Å; I28-F52 HydrophobicContact CD1-CD2 4.3Å; I28-F52 HydrophobicContact CD1-CE1 3.43Å; I28-F52 VanDerWaalsContact CD1-CE1 3.43Å; I28-F52 HydrophobicContact CD1-CE2 4.02Å; I28-F52 HydrophobicContact CD1-CG 4.18Å; I28-F52 HydrophobicContact CD1-CZ 3.59Å; I28-F52 HydrophobicContact CG1-CD1 4.43Å; I28-F52 HydrophobicContact CG1-CD2 4.11Å; I28-F52 HydrophobicContact CG1-CE1 4.1Å; I28-F52 HydrophobicContact CG1-CE2 3.73Å; I28-F52 HydrophobicContact CG1-CG 4.45Å; I28-F52 HydrophobicContact CG1-CZ 3.74Å; I28-F52 HydrophobicContact CG2-CE1 4.39Å; I28-F52 HydrophobicContact CG2-CE2 3.82Å; I28-F52 HydrophobicContact CG2-CZ 3.49Å; I28-F52 VanDerWaalsContact CG2-CZ 3.49Å; I28-W54 HydrophobicContact CD1-CH2 4.19Å; I28-W54 HydrophobicContact CD1-CZ2 4.12Å; I28-Y178 HydrophobicContact CG2-CE1 4.33Å; I28-Y178 HydrophobicContact CG2-CE2 4.23Å; I28-Y246 HydrophobicContact CD1-CD1 4Å; I28-Y246 HydrophobicContact CD1-CD2 4.26Å; I28-Y246 HydrophobicContact CD1-CE1 3.53Å; I28-Y246 HydrophobicContact CD1-CE2 3.85Å; I28-Y246 HydrophobicContact CD1-CG 4.35Å; I28-Y246 VanDerWaalsContact CD1-CZ 3.47Å |
| 29 | R | 80.7 | Confident | 71.3 | Confident | 148 Ų | 148 | 97.7 Ų | 97.7 | 56% | 0.558 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -73.8 | 135.7 | 176.5 | -71.2 | -173.9 | -177.8 | 170.7 | -0.5 | 110 | S27 E48 Q197 | S27-R29 PolarHBondContact O-N 3.2Å; R29-E48 HydrophobicContact CB-CG 4.42Å; R29-E48 WeakPolarHBondContact CD-OE1 3.42Å; R29-E48 HydrophobicContact CG-CG 3.77Å; R29-E48 IonicContact CZ-OE1 3.59Å; R29-E48 IonicContact CZ-OE2 2.7Å; R29-E48 IonicContact NE-OE1 3.99Å; R29-E48 PolarHBondContact NE-OE1 3.21Å; R29-E48 IonicContact NE-OE2 3.86Å; R29-E48 VanDerWaalsContact NH1-CD 3.33Å; R29-E48 IonicContact NH1-OE1 3.4Å; R29-E48 PolarHBondContact NH1-OE1 2.75Å; R29-E48 IonicContact NH1-OE2 3.47Å; R29-E48 IonicContact NH2-OE1 3.71Å; R29-E48 IonicContact NH2-OE2 2.73Å; R29-Q197 PolarHBondContact O-NE2 3.49Å |
| 30 | E | 77.8 | Confident | 68.9 | Low | 133 Ų | 133 | 99.8 Ų | 99.8 | 62% | 0.621 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 162.9 | 172.5 | -63.4 | -155.6 | -153.4 | 0 | 0 | 111.9 | K176 | E30-K176 VanDerWaalsContact CD-NZ 3.25Å; E30-K176 IonicContact OE2-NZ 2.7Å; E30-K176 PolarHBondContact OE2-NZ 2.05Å |
| 31 | S | 68.2 | Low | 67 | Low | 46 Ų | 46 | 95.3 Ų | 95.3 | 32% | 0.322 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -48 | 126.5 | 174.5 | -179 | 0 | 0 | 0 | 0 | 110.2 | A33 W45 | S31-A33 PolarHBondContact O-N 3.48Å; S31-W45 VanDerWaalsContact CA-CH2 3.44Å; S31-W45 VanDerWaalsContact CA-CZ2 3.43Å |
| 32 | P | 61.3 | Low | 65 | Low | 68 Ų | 68 | 95.6 Ų | 95.6 | 44% | 0.442 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 116.2 | 179.2 | -26.8 | 34.3 | 0 | 0 | 0 | 111.1 | F34 W45 | P32-F34 PolarHBondContact O-N 3.36Å; P32-W45 HydrophobicContact CG-CG 4.39Å |
| 33 | A | 48.9 | Very low | 63.6 | Low | 101 Ų | 101 | 97.2 Ų | 97.2 | 84% | 0.835 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 122.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | S31 | S31-A33 PolarHBondContact O-N 3.48Š|
| 34 | F | 46.8 | Very low | 62.7 | Low | 197 Ų | 197 | 92.7 Ų | 92.7 | 86% | 0.864 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 24.8 | 172.4 | -113 | -96.6 | 0 | 0 | 0 | 118.7 | P32 R36 | P32-F34 PolarHBondContact O-N 3.36Å; F34-R36 PolarHBondContact O-N 2.83Å; F34-R36 VanDerWaalsContact O-N 3.16Å |
| 35 | S | 41.1 | Very low | 62.4 | Low | 75 Ų | 75 | 92.9 Ų | 92.9 | 52% | 0.524 | 47% | 0.468 | S | S | . | . | trans | -71.2 | 108.2 | 164.8 | -177.7 | 0 | 0 | 0 | 0 | 111.6 | F37 | S35-F37 PolarHBondContact O-N 3.26Å; S35-F37 PolarHBondContact OG-N 2.83Å; S35-F37 PolarHBondContact OG-O 3Å | ||
| 36 | R | 43.3 | Very low | 62.5 | Low | 214 Ų | 214 | 91.7 Ų | 91.7 | 81% | 0.808 | 46% | 0.461 | S | S | * | . | trans | -76.2 | 6.1 | 170.2 | -109.4 | 179.1 | 180 | 157 | -0.4 | 113.9 | F34 | F34-R36 PolarHBondContact O-N 2.83Å; F34-R36 VanDerWaalsContact O-N 3.16Å | ||
| 37 | F | 43.1 | Very low | 62.8 | Low | 173 Ų | 173 | 87.3 Ų | 87.3 | 76% | 0.759 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -112.1 | 108.7 | -176.9 | -65.5 | -78.8 | 0 | 0 | 0 | 111.1 | S35 N39 | S35-F37 PolarHBondContact O-N 3.26Å; S35-F37 PolarHBondContact OG-N 2.83Å; S35-F37 PolarHBondContact OG-O 3Å; F37-N39 PolarHBondContact O-N 2.81Å |
| 38 | Y | 37.2 | Very low | 63.2 | Low | 210 Ų | 210 | 85.6 Ų | 85.6 | 82% | 0.824 | 42% | 0.423 | S | S | * | . | trans | -57.4 | 127.5 | 176.9 | -68.9 | -94.7 | 0 | 0 | 0 | 112.3 | ||||
| 39 | N | 33.9 | Very low | 63.5 | Low | 93 Ų | 93 | 87.5 Ų | 87.5 | 50% | 0.497 | 44% | 0.437 | S | S | . | . | trans | -153.5 | 69.9 | 165.5 | -94.3 | -41.4 | 0 | 0 | 0 | 113.9 | F37 G44 R196 | F37-N39 PolarHBondContact O-N 2.81Å; N39-G44 CarbonylContact C-O 3.54Å; N39-G44 CarbonylContact O-C 3.54Å; N39-R196 PolarHBondContact O-NH2 3.21Å | ||
| 40 | R | 39.1 | Very low | 64.1 | Low | 108 Ų | 108 | 81.3 Ų | 81.3 | 41% | 0.408 | 42% | 0.415 | S | S | . | . | S | Bend | 34.9 | 112 | 112.2 | -65.6 | -154.6 | -56 | 151.3 | 2.7 | 116.5 | V185 S186 R196 | R40-V185 CarbonylContact C-O 3.58Å; R40-V185 VanDerWaalsContact CA-O 3.24Å; R40-V185 WeakPolarHBondContact CA-O 3.18Å; R40-V185 HydrophobicContact CB-CB 3.76Å; R40-V185 HydrophobicContact CB-CG2 4.36Å; R40-V185 WeakPolarHBondContact CB-O 3.04Å; R40-V185 WeakPolarHBondContact CG-O 3.25Å; R40-V185 WeakPolarHBondContact O-CB 3.47Å; R40-V185 WeakPolarHBondContact O-CG1 3.42Å; R40-S186 PolarHBondContact NH1-OG 3.42Å; R40-R196 WeakPolarHBondContact O-CD 3.5Å; R40-R196 PolarHBondContact O-NE 3.08Å | |
| 41 | I | 53.4 | Low | 65 | Low | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 39% | 0.385 | C | S | . | . | S | Bend | cis | -23.5 | 137.7 | -4 | -73.4 | -179.7 | 0 | 0 | 0 | 111.9 | G43 G44 R196 V198 D228 D233 | I41-G43 PolarHBondContact O-N 3.06Å; I41-G44 WeakPolarHBondContact O-CA 3.12Å; I41-G44 PolarHBondContact O-N 2.66Å; I41-R196 HydrophobicContact CB-CB 4.39Å; I41-R196 HydrophobicContact CD1-CB 3.65Å; I41-R196 HydrophobicContact CG1-CB 3.95Å; I41-R196 HydrophobicContact CG1-CG 4.49Å; I41-V198 HydrophobicContact CG2-CB 4.04Å; I41-V198 HydrophobicContact CG2-CG1 3.89Å; I41-D228 WeakPolarHBondContact CG2-O 3.49Å; I41-D233 WeakPolarHBondContact CD1-OD2 3.3Å |
| 42 | V | 55.3 | Low | 66.4 | Low | 32 Ų | 32 | 73 Ų | 73 | 19% | 0.194 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 118.6 | -161.7 | -152 | 0 | 0 | 0 | 0 | 110.2 | G44 G226 K227 C258 A259 | V42-G44 PolarHBondContact O-N 3.4Å; V42-G44 VanDerWaalsContact O-N 3.15Å; V42-G226 CarbonylContact C-O 3.6Å; V42-K227 WeakPolarHBondContact O-CA 3.29Å; V42-C258 HydrophobicContact CG2-CB 4.07Å; V42-A259 HydrophobicContact CB-CB 3.45Å; V42-A259 VanDerWaalsContact CB-CB 3.45Å; V42-A259 HydrophobicContact CG1-CB 3.65Å; V42-A259 HydrophobicContact CG2-CB 3.71Å |
| 43 | G | 67.4 | Low | 68.1 | Low | 33 Ų | 33 | 70 Ų | 70 | 34% | 0.34 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 8.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | I41 G226 | I41-G43 PolarHBondContact O-N 3.06Å; G43-G226 WeakPolarHBondContact CA-O 3.44Å; G43-G226 PolarHBondContact N-O 3.32Å; G43-G226 VanDerWaalsContact N-O 3.1Å |
| 44 | G | 76.5 | Confident | 70.4 | Confident | 9 Ų | 9 | 65.2 Ų | 65.2 | 9% | 0.093 | 31% | 0.311 | C | S | . | . | trans | -89.5 | -167.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | N39 I41 V42 Q197 | N39-G44 CarbonylContact C-O 3.54Å; N39-G44 CarbonylContact O-C 3.54Å; I41-G44 WeakPolarHBondContact O-CA 3.12Å; I41-G44 PolarHBondContact O-N 2.66Å; V42-G44 PolarHBondContact O-N 3.4Å; V42-G44 VanDerWaalsContact O-N 3.15Å; G44-Q197 CarbonylContact C-O 3.57Å; G44-Q197 WeakPolarHBondContact CA-O 3.26Å | ||
| 45 | W | 87.5 | Confident | 72.8 | Confident | 26 Ų | 26 | 56.1 Ų | 56.1 | 10% | 0.098 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 175.5 | 178.4 | 56.6 | 103.7 | 0 | 0 | 0 | 111.3 | S31 P32 Y178 R196 Q197 D199 | S31-W45 VanDerWaalsContact CA-CH2 3.44Å; S31-W45 VanDerWaalsContact CA-CZ2 3.43Å; P32-W45 HydrophobicContact CG-CG 4.39Å; W45-Y178 HydrophobicContact CH2-CE1 4.22Å; W45-Y178 HydrophobicContact CZ2-CE1 4.13Å; W45-R196 VanDerWaalsContact O-CA 3.3Å; W45-R196 WeakPolarHBondContact O-CA 3.25Å; W45-R196 WeakPolarHBondContact O-CB 3.25Å; W45-Q197 HydrophobicContact CD2-CG 4.01Å; W45-Q197 VanDerWaalsContact CE2-CG 3.49Å; W45-Q197 HydrophobicContact CG-CG 4.19Å; W45-Q197 HydrophobicContact CZ2-CG 3.85Å; W45-Q197 PolarHBondContact N-O 3.19Å; W45-Q197 PolarHBondContact O-N 2.92Å; W45-D199 HydrophobicContact CH2-CB 4.06Å; W45-D199 WeakPolarHBondContact CH2-OD1 3.49Å; W45-D199 WeakPolarHBondContact CZ3-OD1 3.47Å |
| 46 | V | 90.9 | Very high | 75.5 | Confident | 55 Ų | 55 | 52.5 Ų | 52.5 | 33% | 0.333 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 130.2 | 172.4 | 176.8 | 0 | 0 | 0 | 0 | 108.4 | L194 R196 | V46-L194 HydrophobicContact CG1-CB 4.04Å; V46-L194 HydrophobicContact CG1-CD1 4Å; V46-L194 HydrophobicContact CG2-CD1 4.23Å; V46-R196 VanDerWaalsContact CG2-NH1 3.31Å |
| 47 | A | 93.5 | Very high | 78.1 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -73.2 | 150.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | F52 H112 L195 Q197 | A47-F52 HydrophobicContact CB-CD2 4.1Å; A47-F52 HydrophobicContact CB-CE2 4.12Å; A47-H112 PolarHBondContact O-CE1 2.79Å; A47-L195 HydrophobicContact CB-CD2 4.36Å; A47-L195 HydrophobicContact CB-CG 4.16Å; A47-L195 PolarHBondContact N-O 2.92Å; A47-Q197 HydrophobicContact CB-CB 4.24Å; A47-Q197 HydrophobicContact CB-CG 4.11Å |
| 48 | E | 94 | Very high | 80.6 | Confident | 62 Ų | 62 | 35.3 Ų | 35.3 | 29% | 0.29 | 18% | 0.177 | S | C | . | . | P | Polyproline II helix | trans | -63.9 | 138 | 171.1 | -71.9 | -65.4 | 134.4 | 0 | 0 | 109.7 | R29 N50 S51 | R29-E48 HydrophobicContact CB-CG 4.42Å; R29-E48 WeakPolarHBondContact CD-OE1 3.42Å; R29-E48 HydrophobicContact CG-CG 3.77Å; R29-E48 IonicContact CZ-OE1 3.59Å; R29-E48 IonicContact CZ-OE2 2.7Å; R29-E48 IonicContact NE-OE1 3.99Å; R29-E48 PolarHBondContact NE-OE1 3.21Å; R29-E48 IonicContact NE-OE2 3.86Å; R29-E48 VanDerWaalsContact NH1-CD 3.33Å; R29-E48 IonicContact NH1-OE1 3.4Å; R29-E48 PolarHBondContact NH1-OE1 2.75Å; R29-E48 IonicContact NH1-OE2 3.47Å; R29-E48 IonicContact NH2-OE1 3.71Å; R29-E48 IonicContact NH2-OE2 2.73Å; E48-N50 PolarHBondContact O-N 3.09Å; E48-N50 VanDerWaalsContact O-N 3.13Å; E48-S51 PolarHBondContact N-OG 2.88Å; E48-S51 VanDerWaalsContact O-CB 3.32Å; E48-S51 WeakPolarHBondContact O-CB 3.46Å; E48-S51 PolarHBondContact O-N 3.13Å; E48-S51 PolarHBondContact O-OG 3.39Å |
| 49 | P | 94.1 | Very high | 83.4 | Confident | 54 Ų | 54 | 25.8 Ų | 25.8 | 35% | 0.351 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | 121.4 | -177.3 | -24.8 | 31.6 | 0 | 0 | 0 | 111.8 | K26 H112 | K26-P49 WeakPolarHBondContact CD-O 3.25Å; K26-P49 PolarHBondContact NZ-O 3.16Å; P49-H112 HydrophobicContact CB-CB 4.2Å |
| 50 | N | 93.5 | Very high | 86.4 | Confident | 18 Ų | 18 | 21.8 Ų | 21.8 | 10% | 0.096 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 19.9 | -177.2 | -53.3 | -89.6 | 0 | 0 | 0 | 115.9 | K26 E48 F52 S158 | K26-N50 HydrophobicContact CD-CB 4.25Å; E48-N50 PolarHBondContact O-N 3.09Å; E48-N50 VanDerWaalsContact O-N 3.13Å; N50-F52 VanDerWaalsContact C-N 3.35Å; N50-S158 WeakPolarHBondContact OD1-CB 3.48Å |
| 51 | S | 95.5 | Very high | 89 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -75 | -20.3 | 172 | 55.6 | 0 | 0 | 0 | 0 | 114.3 | P24 I28 E48 P53 | P24-S51 VanDerWaalsContact CB-O 3.26Å; P24-S51 WeakPolarHBondContact CB-O 3.17Å; I28-S51 WeakPolarHBondContact CD1-O 3.47Å; I28-S51 WeakPolarHBondContact CG1-O 3.15Å; E48-S51 PolarHBondContact N-OG 2.88Å; E48-S51 VanDerWaalsContact O-CB 3.32Å; E48-S51 WeakPolarHBondContact O-CB 3.46Å; E48-S51 PolarHBondContact O-N 3.13Å; E48-S51 PolarHBondContact O-OG 3.39Å; S51-P53 VanDerWaalsContact C-CD 3.43Å; S51-P53 VanDerWaalsContact O-CD 3.31Å; S51-P53 WeakPolarHBondContact O-CD 3.38Å |
| 52 | F | 97.1 | Very high | 90.8 | Very high | 5 Ų | 5 | 23.9 Ų | 23.9 | 2% | 0.022 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -117.9 | 71.5 | 172.3 | -65 | -98.5 | 0 | 0 | 0 | 109.9 | I28 A47 N50 W54 Q55 Y178 T180 L195 Q197 V239 | I28-F52 HydrophobicContact CB-CE2 4.38Å; I28-F52 HydrophobicContact CB-CZ 4.26Å; I28-F52 HydrophobicContact CD1-CD1 3.75Å; I28-F52 HydrophobicContact CD1-CD2 4.3Å; I28-F52 HydrophobicContact CD1-CE1 3.43Å; I28-F52 VanDerWaalsContact CD1-CE1 3.43Å; I28-F52 HydrophobicContact CD1-CE2 4.02Å; I28-F52 HydrophobicContact CD1-CG 4.18Å; I28-F52 HydrophobicContact CD1-CZ 3.59Å; I28-F52 HydrophobicContact CG1-CD1 4.43Å; I28-F52 HydrophobicContact CG1-CD2 4.11Å; I28-F52 HydrophobicContact CG1-CE1 4.1Å; I28-F52 HydrophobicContact CG1-CE2 3.73Å; I28-F52 HydrophobicContact CG1-CG 4.45Å; I28-F52 HydrophobicContact CG1-CZ 3.74Å; I28-F52 HydrophobicContact CG2-CE1 4.39Å; I28-F52 HydrophobicContact CG2-CE2 3.82Å; I28-F52 HydrophobicContact CG2-CZ 3.49Å; I28-F52 VanDerWaalsContact CG2-CZ 3.49Å; A47-F52 HydrophobicContact CB-CD2 4.1Å; A47-F52 HydrophobicContact CB-CE2 4.12Å; N50-F52 VanDerWaalsContact C-N 3.35Å; F52-W54 AromaticContact CD1-CZ2 3.78Å; F52-W54 HydrophobicContact CD1-CZ2 3.78Å; F52-W54 AromaticContact CD1-NE1 3.85Å; F52-W54 HydrophobicContact CE1-CZ2 4.49Å; F52-W54 PolarHBondContact O-N 3.3Å; F52-W54 VanDerWaalsContact O-N 3.07Å; F52-Q55 HydrophobicContact CB-CB 4.28Å; F52-Q55 VanDerWaalsContact O-CB 3.3Å; F52-Q55 WeakPolarHBondContact O-CB 3.32Å; F52-Q55 PolarHBondContact O-N 3.3Å; F52-Y178 HydrophobicContact CE1-CG 4.44Å; F52-Y178 HydrophobicContact CZ-CG 4.26Å; F52-T180 HydrophobicContact CD1-CG2 3.6Å; F52-T180 HydrophobicContact CD2-CG2 3.75Å; F52-T180 HydrophobicContact CE1-CG2 3.51Å; F52-T180 HydrophobicContact CE2-CG2 3.66Å; F52-T180 HydrophobicContact CG-CG2 3.72Å; F52-T180 HydrophobicContact CZ-CG2 3.54Å; F52-L195 HydrophobicContact CB-CD2 4.37Å; F52-Q197 HydrophobicContact CE2-CB 3.9Å; F52-Q197 HydrophobicContact CE2-CG 4.37Å; F52-Q197 HydrophobicContact CZ-CB 4.01Å; F52-V239 HydrophobicContact CD1-CG2 4.46Å; F52-V239 HydrophobicContact CE1-CG2 4.15Å |
| 53 | P | 97.3 | Very high | 92.3 | Very high | 4 Ų | 4 | 24.2 Ų | 24.2 | 3% | 0.026 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -1.7 | -170.5 | 33.4 | -40.5 | 0 | 0 | 0 | 114.4 | P24 S51 S158 I159 V160 | P24-P53 HydrophobicContact CB-CG 3.94Å; S51-P53 VanDerWaalsContact C-CD 3.43Å; S51-P53 VanDerWaalsContact O-CD 3.31Å; S51-P53 WeakPolarHBondContact O-CD 3.38Å; P53-S158 WeakPolarHBondContact CB-O 3.4Å; P53-I159 WeakPolarHBondContact O-CA 3.49Å; P53-V160 CarbonylContact C-O 3.59Å; P53-V160 VanDerWaalsContact C-O 3.3Å; P53-V160 HydrophobicContact CB-CB 4.17Å; P53-V160 HydrophobicContact CB-CG2 4.31Å; P53-V160 HydrophobicContact CG-CB 3.81Å; P53-V160 HydrophobicContact CG-CG2 4.14Å; P53-V160 PolarHBondContact O-N 2.9Å; P53-V160 VanDerWaalsContact O-N 3.13Å |
| 54 | W | 98.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -14.2 | 169.8 | 45.7 | 80.4 | 0 | 0 | 0 | 113.3 | P24 I28 F52 V56 T73 L74 V160 V162 V239 Y246 | P24-W54 HydrophobicContact CB-CH2 4.34Å; P24-W54 HydrophobicContact CB-CZ3 4.26Å; P24-W54 HydrophobicContact CG-CH2 4.09Å; P24-W54 HydrophobicContact CG-CZ3 4.35Å; I28-W54 HydrophobicContact CD1-CH2 4.19Å; I28-W54 HydrophobicContact CD1-CZ2 4.12Å; F52-W54 AromaticContact CD1-CZ2 3.78Å; F52-W54 HydrophobicContact CD1-CZ2 3.78Å; F52-W54 AromaticContact CD1-NE1 3.85Å; F52-W54 HydrophobicContact CE1-CZ2 4.49Å; F52-W54 PolarHBondContact O-N 3.3Å; F52-W54 VanDerWaalsContact O-N 3.07Å; W54-V56 PolarHBondContact O-N 2.8Å; W54-T73 CarbonylContact O-C 3.55Å; W54-T73 WeakPolarHBondContact O-CA 3.49Å; W54-L74 HydrophobicContact CB-CB 4.41Å; W54-L74 PolarHBondContact O-N 2.75Å; W54-V160 VanDerWaalsContact CA-O 3.23Å; W54-V160 WeakPolarHBondContact CA-O 3.42Å; W54-V160 VanDerWaalsContact CB-O 3.28Å; W54-V160 WeakPolarHBondContact CB-O 3.46Å; W54-V160 PolarHBondContact N-O 2.87Å; W54-V160 VanDerWaalsContact N-O 3.16Å; W54-V162 HydrophobicContact CB-CB 3.9Å; W54-V162 HydrophobicContact CD2-CB 3.9Å; W54-V162 HydrophobicContact CD2-CG2 4.15Å; W54-V162 HydrophobicContact CE3-CB 4.33Å; W54-V162 HydrophobicContact CG-CB 3.7Å; W54-V162 HydrophobicContact CG-CG2 4.31Å; W54-V239 HydrophobicContact CZ2-CG2 4.4Å; W54-Y246 HydrophobicContact CH2-CD1 4.47Å; W54-Y246 AromaticContact CH2-CD2 3.9Å; W54-Y246 HydrophobicContact CH2-CD2 3.9Å; W54-Y246 AromaticContact CH2-CG 3.73Å; W54-Y246 HydrophobicContact CH2-CG 3.73Å; W54-Y246 HydrophobicContact CZ2-CD1 4.38Å; W54-Y246 HydrophobicContact CZ2-CG 4.02Å |
| 55 | Q | 97.9 | Very high | 93.7 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 3% | 0.028 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 132.1 | -178.3 | -172.9 | 77.1 | 29.3 | 0 | 0 | 110.1 | F52 T180 W182 L195 | F52-Q55 HydrophobicContact CB-CB 4.28Å; F52-Q55 VanDerWaalsContact O-CB 3.3Å; F52-Q55 WeakPolarHBondContact O-CB 3.32Å; F52-Q55 PolarHBondContact O-N 3.3Å; Q55-T180 PolarHBondContact NE2-O 2.96Å; Q55-T180 PolarHBondContact OE1-O 2.79Å; Q55-T180 PolarHBondContact OE1-OG1 3.45Å; Q55-W182 HydrophobicContact CG-CH2 3.64Å; Q55-W182 HydrophobicContact CG-CZ3 3.6Å; Q55-L195 HydrophobicContact CB-CD2 4.36Å; Q55-L195 HydrophobicContact CG-CD1 3.83Å; Q55-L195 HydrophobicContact CG-CD2 4.33Å |
| 56 | V | 97.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 161.2 | 169.1 | -48.4 | 0 | 0 | 0 | 0 | 111 | W54 V58 G71 G72 L74 V86 V107 L108 V109 | W54-V56 PolarHBondContact O-N 2.8Å; V56-V58 HydrophobicContact CG2-CG2 4.23Å; V56-G71 CarbonylContact O-C 3.17Å; V56-G72 VanDerWaalsContact CG2-C 3.43Å; V56-G72 PolarHBondContact N-O 3.42Å; V56-G72 PolarHBondContact O-N 2.92Å; V56-L74 HydrophobicContact CG1-CD1 4.21Å; V56-L74 HydrophobicContact CG1-CD2 4.22Å; V56-L74 HydrophobicContact CG1-CG 3.7Å; V56-V86 HydrophobicContact CG2-CG1 3.56Å; V56-V86 HydrophobicContact CG2-CG2 4.4Å; V56-V107 HydrophobicContact CB-CG1 3.64Å; V56-V107 HydrophobicContact CG1-CG1 4.18Å; V56-V107 HydrophobicContact CG2-CG1 3.59Å; V56-L108 WeakPolarHBondContact CA-O 3.42Å; V56-L108 WeakPolarHBondContact CB-O 3.31Å; V56-V109 HydrophobicContact CB-CG1 4.44Å; V56-V109 HydrophobicContact CG1-CB 4.27Å; V56-V109 HydrophobicContact CG1-CG1 3.73Å |
| 57 | R | 96.5 | Very high | 93.8 | Very high | 25 Ų | 25 | 39.7 Ų | 39.7 | 9% | 0.094 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 121.9 | 167.6 | -177.7 | -178.2 | -177.8 | 91.4 | -7.4 | 108.2 | M59 Y67 C70 V107 L108 M114 W182 | R57-M59 HydrophobicContact CG-CG 4.01Å; R57-M59 HydrophobicContact CG-SD 4.38Å; R57-Y67 PolarHBondContact NH2-OH 3.4Å; R57-C70 CarbonylContact C-O 3.57Å; R57-C70 WeakPolarHBondContact CA-O 3.31Å; R57-V107 CarbonylContact O-C 3.56Å; R57-V107 WeakPolarHBondContact O-CA 3.45Å; R57-L108 HydrophobicContact CB-CB 4.36Å; R57-L108 PolarHBondContact N-O 2.96Å; R57-L108 PolarHBondContact O-N 3.49Å; R57-M114 WeakPolarHBondContact CD-SD 3.49Å; R57-W182 HydrophobicContact CB-CE3 4.1Å; R57-W182 HydrophobicContact CB-CZ3 3.84Å |
| 58 | V | 97.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 133.5 | 173.9 | -175.3 | 0 | 0 | 0 | 0 | 108.1 | V56 A69 C70 V86 T88 F93 I105 V107 L147 | V56-V58 HydrophobicContact CG2-CG2 4.23Å; V58-A69 WeakPolarHBondContact O-CA 3.41Å; V58-C70 HydrophobicContact CB-CB 4.31Å; V58-C70 PolarHBondContact N-O 3.32Å; V58-C70 PolarHBondContact O-N 3.04Å; V58-V86 HydrophobicContact CG2-CG1 4.41Å; V58-T88 HydrophobicContact CG2-CG2 4.35Å; V58-F93 HydrophobicContact CG1-CE1 3.66Å; V58-F93 HydrophobicContact CG1-CZ 3.75Å; V58-I105 HydrophobicContact CG1-CG2 4.02Å; V58-V107 HydrophobicContact CG2-CG2 4.38Å; V58-L147 HydrophobicContact CG1-CD1 4.08Å; V58-L147 HydrophobicContact CG2-CD1 4.06Å |
| 59 | M | 95.7 | Very high | 93.6 | Very high | 9 Ų | 9 | 41.5 Ų | 41.5 | 4% | 0.044 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 124.9 | -174.5 | -60.2 | -179.2 | -60.5 | 0 | 0 | 109.4 | R57 Y67 E68 I105 T106 L108 E124 | R57-M59 HydrophobicContact CG-CG 4.01Å; R57-M59 HydrophobicContact CG-SD 4.38Å; M59-Y67 HydrophobicContact CB-CD2 3.78Å; M59-Y67 HydrophobicContact CB-CE2 4.34Å; M59-Y67 HydrophobicContact CB-CG 4.34Å; M59-Y67 HydrophobicContact CG-CD2 3.76Å; M59-Y67 HydrophobicContact CG-CE2 3.8Å; M59-Y67 HydrophobicContact SD-CD2 4.16Å; M59-Y67 HydrophobicContact SD-CE2 3.79Å; M59-E68 WeakPolarHBondContact CA-O 3.37Å; M59-I105 WeakPolarHBondContact O-CA 3.37Å; M59-T106 WeakPolarHBondContact CE-OG1 3.37Å; M59-T106 PolarHBondContact N-O 2.95Å; M59-T106 PolarHBondContact O-N 3.37Å; M59-L108 HydrophobicContact CE-CB 4.07Å; M59-E124 HydrophobicContact CE-CG 4.02Å; M59-E124 WeakPolarHBondContact CE-OE1 3.1Å |
| 60 | V | 95.6 | Very high | 93.6 | Very high | 9 Ų | 9 | 39.6 Ų | 39.6 | 6% | 0.055 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 106 | 179.6 | -176.4 | 0 | 0 | 0 | 0 | 108.4 | I62 Y67 E68 F93 A100 K104 | V60-I62 PolarHBondContact O-N 3.28Å; V60-Y67 CarbonylContact O-C 3.41Å; V60-Y67 WeakPolarHBondContact O-CA 3.28Å; V60-Y67 WeakPolarHBondContact O-CB 3.23Å; V60-E68 PolarHBondContact N-O 3.18Å; V60-E68 PolarHBondContact O-N 2.99Å; V60-F93 HydrophobicContact CG2-CD1 3.55Å; V60-F93 HydrophobicContact CG2-CE1 3.76Å; V60-A100 HydrophobicContact CG1-CB 3.78Å; V60-K104 CarbonylContact C-O 3.55Å; V60-K104 WeakPolarHBondContact CA-O 3.44Å |
| 61 | H | 94.5 | Very high | 93.8 | Very high | 58 Ų | 58 | 38.7 Ų | 38.7 | 27% | 0.269 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 113.2 | -174.2 | -64.2 | -83.5 | 0 | 0 | 0 | 110.9 | K104 T106 | H61-K104 HydrophobicContact CB-CB 4.45Å; H61-K104 PolarHBondContact CD2-O 3.04Å; H61-K104 VanDerWaalsContact CD2-O 3.26Å; H61-K104 PolarHBondContact N-O 2.88Å; H61-K104 WeakPolarHBondContact O-CD 3.34Å; H61-T106 PolarHBondContact NE2-OG1 3.13Å |
| 62 | I | 90.7 | Very high | 93.9 | Very high | 94 Ų | 94 | 38.7 Ų | 38.7 | 48% | 0.482 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -29.3 | -175 | 55.5 | 169.7 | 0 | 0 | 0 | 112.7 | V60 D66 E68 | V60-I62 PolarHBondContact O-N 3.28Å; I62-D66 HydrophobicContact CD1-CB 4.19Å; I62-D66 HydrophobicContact CG1-CB 3.86Å; I62-D66 VanDerWaalsContact CG1-O 3.3Å; I62-D66 WeakPolarHBondContact CG1-O 3.26Å; I62-D66 PolarHBondContact N-O 2.82Å; I62-E68 HydrophobicContact CD1-CG 4.34Å; I62-E68 HydrophobicContact CG2-CG 4.09Å |
| 63 | G | 86.9 | Confident | 93.9 | Very high | 40 Ų | 40 | 38.5 Ų | 38.5 | 41% | 0.412 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.9 | 148.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D65 D66 | G63-D65 PolarHBondContact O-N 2.68Å; G63-D66 PolarHBondContact N-O 3.05Å; G63-D66 WeakPolarHBondContact O-CB 3.41Å; G63-D66 PolarHBondContact O-N 3.2Å |
| 64 | G | 87.5 | Confident | 94 | Very high | 80 Ų | 80 | 38.3 Ų | 38.3 | 83% | 0.825 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | -129.6 | -174 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 65 | D | 85.3 | Confident | 94 | Very high | 158 Ų | 158 | 38.3 Ų | 38.3 | 85% | 0.845 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 1.9 | 172.2 | -60.4 | -43.8 | 0 | 0 | 0 | 112.7 | G63 | G63-D65 PolarHBondContact O-N 2.68Š|
| 66 | D | 90.2 | Very high | 93.9 | Very high | 114 Ų | 114 | 39.7 Ų | 39.7 | 61% | 0.61 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 132.8 | -177.3 | -65.3 | -41.4 | 0 | 0 | 0 | 112.1 | I62 G63 | I62-D66 HydrophobicContact CD1-CB 4.19Å; I62-D66 HydrophobicContact CG1-CB 3.86Å; I62-D66 VanDerWaalsContact CG1-O 3.3Å; I62-D66 WeakPolarHBondContact CG1-O 3.26Å; I62-D66 PolarHBondContact N-O 2.82Å; G63-D66 PolarHBondContact N-O 3.05Å; G63-D66 WeakPolarHBondContact O-CB 3.41Å; G63-D66 PolarHBondContact O-N 3.2Å |
| 67 | Y | 90.4 | Very high | 93.8 | Very high | 96 Ų | 96 | 41.7 Ų | 41.7 | 38% | 0.376 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 147.4 | 177.4 | 66.4 | -86.2 | 0 | 0 | 0 | 111.9 | R57 M59 V60 A69 | R57-Y67 PolarHBondContact NH2-OH 3.4Å; M59-Y67 HydrophobicContact CB-CD2 3.78Å; M59-Y67 HydrophobicContact CB-CE2 4.34Å; M59-Y67 HydrophobicContact CB-CG 4.34Å; M59-Y67 HydrophobicContact CG-CD2 3.76Å; M59-Y67 HydrophobicContact CG-CE2 3.8Å; M59-Y67 HydrophobicContact SD-CD2 4.16Å; M59-Y67 HydrophobicContact SD-CE2 3.79Å; V60-Y67 CarbonylContact O-C 3.41Å; V60-Y67 WeakPolarHBondContact O-CA 3.28Å; V60-Y67 WeakPolarHBondContact O-CB 3.23Å; Y67-A69 HydrophobicContact CD2-CB 4.23Å; Y67-A69 HydrophobicContact CE2-CB 3.95Å |
| 68 | E | 90.7 | Very high | 93.4 | Very high | 71 Ų | 71 | 45.1 Ų | 45.1 | 33% | 0.332 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 143.8 | 166.4 | -64 | 179.7 | 135.4 | 0 | 0 | 109.4 | M59 V60 I62 R95 | M59-E68 WeakPolarHBondContact CA-O 3.37Å; V60-E68 PolarHBondContact N-O 3.18Å; V60-E68 PolarHBondContact O-N 2.99Å; I62-E68 HydrophobicContact CD1-CG 4.34Å; I62-E68 HydrophobicContact CG2-CG 4.09Å; E68-R95 VanDerWaalsContact CD-NH2 3.25Å; E68-R95 IonicContact OE1-CZ 3.61Å; E68-R95 IonicContact OE1-NE 3.9Å; E68-R95 PolarHBondContact OE1-NE 3.34Å; E68-R95 IonicContact OE1-NH2 2.8Å; E68-R95 PolarHBondContact OE1-NH2 2.67Å; E68-R95 IonicContact OE2-CZ 3.2Å; E68-R95 VanDerWaalsContact OE2-CZ 3.27Å; E68-R95 IonicContact OE2-NE 3.57Å; E68-R95 PolarHBondContact OE2-NE 2.92Å; E68-R95 VanDerWaalsContact OE2-NE 3.09Å; E68-R95 IonicContact OE2-NH2 3.21Å; E68-R95 PolarHBondContact OE2-NH2 3.39Å |
| 69 | A | 92.6 | Very high | 93 | Very high | 30 Ų | 30 | 50.7 Ų | 50.7 | 25% | 0.248 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 134.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V58 Y67 | V58-A69 WeakPolarHBondContact O-CA 3.41Å; Y67-A69 HydrophobicContact CD2-CB 4.23Å; Y67-A69 HydrophobicContact CE2-CB 3.95Å |
| 70 | C | 95.3 | Very high | 92.7 | Very high | 13 Ų | 13 | 52.3 Ų | 52.3 | 9% | 0.088 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 162.8 | 170.8 | -86.1 | 0 | 0 | 0 | 0 | 111.1 | R57 V58 C92 S234 | R57-C70 CarbonylContact C-O 3.57Å; R57-C70 WeakPolarHBondContact CA-O 3.31Å; V58-C70 HydrophobicContact CB-CB 4.31Å; V58-C70 PolarHBondContact N-O 3.32Å; V58-C70 PolarHBondContact O-N 3.04Å; C70-C92 HydrophobicContact CB-CB 3.83Å; C70-C92 WeakPolarHBondContact CB-SG 3.46Å; C70-C92 WeakPolarHBondContact SG-CB 3.5Å; C70-C92 CovalentContact SG-SG 2.03Å; C70-C92 PolarHBondContact SG-SG 2.8Å; C70-S234 CarbonylContact C-O 3.56Å; C70-S234 WeakPolarHBondContact CA-O 3.31Å; C70-S234 VanDerWaalsContact CB-O 3.23Å; C70-S234 WeakPolarHBondContact CB-O 3.47Å |
| 71 | G | 96 | Very high | 92.7 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 170.6 | 158.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V56 T88 S234 G235 | V56-G71 CarbonylContact O-C 3.17Å; G71-T88 PolarHBondContact O-OG1 3.26Å; G71-S234 WeakPolarHBondContact CA-O 3.49Å; G71-S234 PolarHBondContact N-O 2.81Å; G71-G235 CarbonylContact O-C 3.54Å |
| 72 | G | 97.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.1 | 179.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | V56 L87 G235 | V56-G72 VanDerWaalsContact CG2-C 3.43Å; V56-G72 PolarHBondContact N-O 3.42Å; V56-G72 PolarHBondContact O-N 2.92Å; G72-L87 CarbonylContact C-O 3.3Å; G72-L87 WeakPolarHBondContact CA-O 3.24Å; G72-G235 WeakPolarHBondContact CA-O 3.45Å |
| 73 | T | 98.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 127.1 | -173.7 | 39 | 0 | 0 | 0 | 0 | 112.4 | W54 V75 V86 L87 P237 Q248 | W54-T73 CarbonylContact O-C 3.55Å; W54-T73 WeakPolarHBondContact O-CA 3.49Å; T73-V75 PolarHBondContact O-N 2.89Å; T73-V86 CarbonylContact O-C 3.58Å; T73-V86 VanDerWaalsContact O-CA 3.28Å; T73-V86 WeakPolarHBondContact O-CA 3.39Å; T73-L87 PolarHBondContact N-O 3.2Å; T73-L87 PolarHBondContact O-N 3.46Å; T73-L87 WeakPolarHBondContact OG1-CB 3.43Å; T73-L87 PolarHBondContact OG1-O 3.36Å; T73-P237 HydrophobicContact CG2-CB 3.51Å; T73-P237 HydrophobicContact CG2-CG 3.65Å; T73-Q248 PolarHBondContact OG1-NE2 2.94Å; T73-Q248 PolarHBondContact OG1-OE1 2.97Å; T73-Q248 VanDerWaalsContact OG1-OE1 3.12Å |
| 74 | L | 98.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 122.7 | 165.1 | -70 | 168.2 | 0 | 0 | 0 | 109.2 | W54 V56 T83 V86 V109 V153 I159 P161 V162 | W54-L74 HydrophobicContact CB-CB 4.41Å; W54-L74 PolarHBondContact O-N 2.75Å; V56-L74 HydrophobicContact CG1-CD1 4.21Å; V56-L74 HydrophobicContact CG1-CD2 4.22Å; V56-L74 HydrophobicContact CG1-CG 3.7Å; L74-T83 HydrophobicContact CB-CG2 4.3Å; L74-T83 HydrophobicContact CD2-CG2 3.88Å; L74-V86 HydrophobicContact CD2-CG2 3.82Å; L74-V109 HydrophobicContact CD2-CG1 4.38Å; L74-V153 HydrophobicContact CD1-CG2 4.16Å; L74-V153 HydrophobicContact CD2-CG2 3.69Å; L74-I159 HydrophobicContact CD1-CG2 3.73Å; L74-P161 HydrophobicContact CB-CB 4.43Å; L74-P161 CarbonylContact O-C 3.54Å; L74-P161 VanDerWaalsContact O-CA 3.25Å; L74-P161 WeakPolarHBondContact O-CA 3.4Å; L74-P161 WeakPolarHBondContact O-CB 3.36Å; L74-V162 PolarHBondContact O-N 3.02Å |
| 75 | V | 98.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 165.2 | 179.6 | -64.5 | 0 | 0 | 0 | 0 | 109.7 | T73 T83 L85 L87 L146 V162 L164 | T73-V75 PolarHBondContact O-N 2.89Å; V75-T83 WeakPolarHBondContact O-CB 3.49Å; V75-T83 WeakPolarHBondContact O-CG2 3.34Å; V75-T83 PolarHBondContact O-OG1 3.14Å; V75-L85 HydrophobicContact CG2-CB 3.87Å; V75-L85 PolarHBondContact N-O 2.8Å; V75-L85 VanDerWaalsContact N-O 3.16Å; V75-L87 HydrophobicContact CG1-CB 3.82Å; V75-L87 HydrophobicContact CG1-CD2 4.33Å; V75-L87 HydrophobicContact CG2-CB 4.06Å; V75-L146 HydrophobicContact CG2-CD1 4.01Å; V75-V162 HydrophobicContact CG1-CG1 4.04Å; V75-L164 HydrophobicContact CB-CD2 4.23Å; V75-L164 HydrophobicContact CB-CG 4.48Å; V75-L164 HydrophobicContact CG1-CD2 3.84Å |
| 76 | Q | 95.7 | Very high | 94.7 | Very high | 36 Ų | 36 | 42.9 Ų | 42.9 | 17% | 0.168 | 25% | 0.248 | C | C | . | . | trans | -142.8 | 140.4 | 170.4 | 68.3 | 178.3 | 13.4 | 0 | 0 | 109.6 | T78 Y155 P161 | Q76-T78 WeakPolarHBondContact CB-O 3.07Å; Q76-T78 VanDerWaalsContact CD-O 3.3Å; Q76-T78 WeakPolarHBondContact CG-O 2.98Å; Q76-T78 PolarHBondContact OE1-O 3.33Å; Q76-Y155 PolarHBondContact OE1-OH 2.97Å; Q76-P161 HydrophobicContact CB-CB 4.49Å; Q76-P161 HydrophobicContact CB-CG 4.48Å; Q76-P161 HydrophobicContact CG-CB 4.34Å; Q76-P161 HydrophobicContact CG-CG 4.06Å | ||
| 77 | T | 94.6 | Very high | 95.2 | Very high | 41 Ų | 41 | 37.5 Ų | 37.5 | 25% | 0.252 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -97.4 | -23.6 | 172.8 | 50.3 | 0 | 0 | 0 | 0 | 112.1 | L85 L277 A281 | T77-L85 HydrophobicContact CG2-CD1 4.31Å; T77-L277 HydrophobicContact CG2-CD2 3.57Å; T77-A281 HydrophobicContact CG2-CB 3.63Å |
| 78 | T | 90.1 | Very high | 95.5 | Very high | 98 Ų | 98 | 32.9 Ų | 32.9 | 60% | 0.601 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -118.5 | 164.4 | 175.1 | 56.4 | 0 | 0 | 0 | 0 | 110.4 | Q76 | Q76-T78 WeakPolarHBondContact CB-O 3.07Å; Q76-T78 VanDerWaalsContact CD-O 3.3Å; Q76-T78 WeakPolarHBondContact CG-O 2.98Å; Q76-T78 PolarHBondContact OE1-O 3.33Å |
| 79 | S | 87.5 | Confident | 95.8 | Very high | 118 Ų | 118 | 29.5 Ų | 29.5 | 83% | 0.825 | 19% | 0.186 | S | C | * | . | trans | -87.4 | 137.7 | 174.8 | -64.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 80 | G | 90.5 | Very high | 96 | Very high | 43 Ų | 43 | 28.1 Ų | 28.1 | 44% | 0.443 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -169.8 | -167.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y155 | G80-Y155 VanDerWaalsContact O-CE2 3.25Å; G80-Y155 WeakPolarHBondContact O-CE2 3.49Å |
| 81 | E | 94.1 | Very high | 96 | Very high | 160 Ų | 160 | 29.4 Ų | 29.4 | 75% | 0.748 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -105.7 | 6.2 | 176.6 | -58 | -175.9 | 156.5 | 0 | 0 | 112.4 | K154 Y155 | E81-K154 WeakPolarHBondContact O-CA 3.41Å; E81-Y155 PolarHBondContact O-N 2.97Å |
| 82 | S | 96.4 | Very high | 95.9 | Very high | 53 Ų | 53 | 29.6 Ų | 29.6 | 37% | 0.371 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 155.4 | -178.7 | 56.9 | 0 | 0 | 0 | 0 | 111.7 | V153 Y155 | S82-V153 CarbonylContact C-O 3.59Å; S82-V153 WeakPolarHBondContact CA-O 3.13Å; S82-V153 WeakPolarHBondContact CB-O 3.45Å; S82-Y155 VanDerWaalsContact C-CE1 3.48Å; S82-Y155 VanDerWaalsContact C-CZ 3.49Å; S82-Y155 VanDerWaalsContact CA-CE1 3.48Å; S82-Y155 PolarHBondContact O-OH 2.83Å |
| 83 | T | 97.5 | Very high | 95.6 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 5% | 0.049 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 152.1 | 168.6 | -169.7 | 0 | 0 | 0 | 0 | 111.1 | L74 V75 L85 P152 V153 Y155 | L74-T83 HydrophobicContact CB-CG2 4.3Å; L74-T83 HydrophobicContact CD2-CG2 3.88Å; V75-T83 WeakPolarHBondContact O-CB 3.49Å; V75-T83 WeakPolarHBondContact O-CG2 3.34Å; V75-T83 PolarHBondContact O-OG1 3.14Å; T83-L85 PolarHBondContact OG1-N 3.21Å; T83-L85 VanDerWaalsContact OG1-N 3.11Å; T83-P152 CarbonylContact O-C 3.52Å; T83-P152 WeakPolarHBondContact O-CA 3.46Å; T83-V153 HydrophobicContact CG2-CG2 4.11Å; T83-V153 PolarHBondContact N-O 3.44Å; T83-V153 VanDerWaalsContact N-O 3.09Å; T83-V153 WeakPolarHBondContact O-CG2 3.48Å; T83-V153 PolarHBondContact O-N 3.19Å; T83-Y155 WeakPolarHBondContact CB-OH 3.42Å; T83-Y155 HydrophobicContact CG2-CE1 4.04Å |
| 84 | D | 97.7 | Very high | 95.3 | Very high | 18 Ų | 18 | 30.2 Ų | 30.2 | 10% | 0.096 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 5.5 | 166.8 | 62.7 | -14.8 | 0 | 0 | 0 | 112.3 | Q148 L149 P152 H285 | D84-Q148 HydrophobicContact CB-CG 4.27Å; D84-Q148 CarbonylContact O-C 3.51Å; D84-Q148 WeakPolarHBondContact O-CA 3.38Å; D84-Q148 VanDerWaalsContact OD2-CG 3.24Å; D84-Q148 WeakPolarHBondContact OD2-CG 3.36Å; D84-Q148 PolarHBondContact OD2-NE2 3.06Å; D84-L149 HydrophobicContact CB-CB 4.36Å; D84-L149 WeakPolarHBondContact O-CG 3.49Å; D84-L149 PolarHBondContact O-N 2.96Å; D84-P152 HydrophobicContact CB-CB 4.24Å; D84-P152 HydrophobicContact CB-CG 4.16Å; D84-H285 IonicContact OD1-CD2 3.28Å; D84-H285 IonicContact OD1-CE1 3.72Å; D84-H285 IonicContact OD1-NE2 3.91Å; D84-H285 PolarHBondContact OD1-NE2 2.68Å; D84-H285 IonicContact OD2-CD2 3.4Å; D84-H285 IonicContact OD2-NE2 3.1Å; D84-H285 PolarHBondContact OD2-NE2 2.03Å |
| 85 | L | 98.5 | Very high | 94.8 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 129 | -173.2 | -59.8 | 175.9 | 0 | 0 | 0 | 112.6 | V75 T77 T83 L146 L147 A281 L284 | V75-L85 HydrophobicContact CG2-CB 3.87Å; V75-L85 PolarHBondContact N-O 2.8Å; V75-L85 VanDerWaalsContact N-O 3.16Å; T77-L85 HydrophobicContact CG2-CD1 4.31Å; T83-L85 PolarHBondContact OG1-N 3.21Å; T83-L85 VanDerWaalsContact OG1-N 3.11Å; L85-L146 HydrophobicContact CB-CD1 4.33Å; L85-L146 HydrophobicContact CD2-CD2 4.43Å; L85-L146 HydrophobicContact CD2-CG 4.49Å; L85-L147 WeakPolarHBondContact CA-O 3.46Å; L85-A281 HydrophobicContact CD1-CB 3.62Å; L85-A281 HydrophobicContact CD2-CB 4.35Å; L85-L284 HydrophobicContact CD2-CD1 4.36Å |
| 86 | V | 98.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 120.9 | 173.6 | 171.5 | 0 | 0 | 0 | 0 | 110.1 | V56 V58 T73 L74 V107 L147 L149 | V56-V86 HydrophobicContact CG2-CG1 3.56Å; V56-V86 HydrophobicContact CG2-CG2 4.4Å; V58-V86 HydrophobicContact CG2-CG1 4.41Å; T73-V86 CarbonylContact O-C 3.58Å; T73-V86 VanDerWaalsContact O-CA 3.28Å; T73-V86 WeakPolarHBondContact O-CA 3.39Å; L74-V86 HydrophobicContact CD2-CG2 3.82Å; V86-V107 HydrophobicContact CG2-CG1 4.24Å; V86-L147 HydrophobicContact CB-CB 4.19Å; V86-L147 HydrophobicContact CB-CD1 4.21Å; V86-L147 HydrophobicContact CG1-CD1 3.93Å; V86-L147 PolarHBondContact N-O 2.94Å; V86-L147 PolarHBondContact O-N 2.76Å; V86-L149 HydrophobicContact CG2-CD1 4.25Å; V86-L149 HydrophobicContact CG2-CD2 4.25Å; V86-L149 HydrophobicContact CG2-CG 4.29Å |
| 87 | L | 98.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 135.4 | 172.6 | 178.8 | 71.6 | 0 | 0 | 0 | 110.1 | G72 T73 V75 L144 L146 V251 L270 W276 L277 | G72-L87 CarbonylContact C-O 3.3Å; G72-L87 WeakPolarHBondContact CA-O 3.24Å; T73-L87 PolarHBondContact N-O 3.2Å; T73-L87 PolarHBondContact O-N 3.46Å; T73-L87 WeakPolarHBondContact OG1-CB 3.43Å; T73-L87 PolarHBondContact OG1-O 3.36Å; V75-L87 HydrophobicContact CG1-CB 3.82Å; V75-L87 HydrophobicContact CG1-CD2 4.33Å; V75-L87 HydrophobicContact CG2-CB 4.06Å; L87-L144 HydrophobicContact CD1-CD2 4.28Å; L87-L146 HydrophobicContact CB-CD1 4.37Å; L87-V251 HydrophobicContact CD2-CG2 3.95Å; L87-V251 HydrophobicContact CG-CG2 4.21Å; L87-L270 HydrophobicContact CD2-CD1 3.72Å; L87-L270 HydrophobicContact CD2-CD2 3.57Å; L87-L270 HydrophobicContact CD2-CG 4.32Å; L87-W276 HydrophobicContact CD1-CZ3 4.43Å; L87-L277 HydrophobicContact CD1-CD1 3.99Å; L87-L277 HydrophobicContact CD2-CD1 3.94Å; L87-L277 HydrophobicContact CG-CD1 4.46Å |
| 88 | T | 98.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | -172.1 | 178 | -174.8 | 0 | 0 | 0 | 0 | 110.1 | V58 G71 F93 A145 L147 G235 | V58-T88 HydrophobicContact CG2-CG2 4.35Å; G71-T88 PolarHBondContact O-OG1 3.26Å; T88-F93 HydrophobicContact CG2-CE2 3.71Å; T88-F93 HydrophobicContact CG2-CZ 3.73Å; T88-A145 HydrophobicContact CG2-CB 4.29Å; T88-A145 PolarHBondContact N-O 2.86Å; T88-A145 PolarHBondContact O-N 2.77Å; T88-L147 HydrophobicContact CG2-CD1 4.07Å; T88-L147 HydrophobicContact CG2-CG 4.22Å; T88-G235 WeakPolarHBondContact OG1-CA 3.48Å |
| 89 | A | 97.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -86.7 | 151.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | C92 F93 D143 G235 V251 | A89-C92 WeakPolarHBondContact O-CB 3.38Å; A89-F93 WeakPolarHBondContact O-CE2 3.26Å; A89-D143 WeakPolarHBondContact CA-O 3.13Å; A89-D143 WeakPolarHBondContact CB-OD1 3.26Å; A89-G235 VanDerWaalsContact N-CA 3.34Å; A89-V251 HydrophobicContact CB-CG1 4.23Å | ||
| 90 | A | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -75.3 | -37 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | C92 F93 E94 Y99 H132 F135 D143 | A90-C92 PolarHBondContact O-N 2.77Å; A90-F93 PolarHBondContact O-N 2.74Å; A90-E94 PolarHBondContact O-N 3.26Å; A90-Y99 HydrophobicContact CB-CE1 4.46Å; A90-H132 HydrophobicContact CB-CB 4.16Å; A90-F135 HydrophobicContact CB-CB 3.54Å; A90-F135 HydrophobicContact CB-CD1 4.36Å; A90-F135 HydrophobicContact CB-CG 3.93Å; A90-D143 WeakPolarHBondContact CA-OD1 3.41Å; A90-D143 PolarHBondContact N-OD1 3.12Å |
| 91 | H | 94.1 | Very high | 94.3 | Very high | 41 Ų | 41 | 45.5 Ų | 45.5 | 19% | 0.19 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -13.1 | 178.4 | 82.3 | -100.3 | 0 | 0 | 0 | 113.4 | F93 R95 F135 D143 S234 S253 | H91-F93 PolarHBondContact O-N 2.89Å; H91-R95 PolarHBondContact O-NH1 3.16Å; H91-F135 HydrophobicContact CB-CE1 3.83Å; H91-F135 HydrophobicContact CB-CE2 4.46Å; H91-F135 HydrophobicContact CB-CZ 3.76Å; H91-D143 IonicContact CE1-OD2 3.68Å; H91-D143 PolarHBondContact CE1-OD2 2.81Å; H91-D143 IonicContact CG-OD1 3.37Å; H91-D143 IonicContact CG-OD2 2.82Å; H91-D143 PolarHBondContact N-OD1 3.23Å; H91-D143 VanDerWaalsContact ND1-CG 3.34Å; H91-D143 IonicContact ND1-OD1 3.49Å; H91-D143 PolarHBondContact ND1-OD1 3.19Å; H91-D143 IonicContact ND1-OD2 3.75Å; H91-D143 PolarHBondContact ND1-OD2 2.87Å; H91-S234 PolarHBondContact CE1-OG 2.77Å; H91-S234 WeakPolarHBondContact NE2-CB 3.23Å; H91-S234 PolarHBondContact NE2-OG 3.04Å; H91-S253 PolarHBondContact CE1-O 2.97Å |
| 92 | C | 93.8 | Very high | 94.4 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.02 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -24.1 | 171.6 | -66.2 | 0 | 0 | 0 | 0 | 112.9 | C70 A89 A90 | C70-C92 HydrophobicContact CB-CB 3.83Å; C70-C92 WeakPolarHBondContact CB-SG 3.46Å; C70-C92 WeakPolarHBondContact SG-CB 3.5Å; C70-C92 CovalentContact SG-SG 2.03Å; C70-C92 PolarHBondContact SG-SG 2.8Å; A89-C92 WeakPolarHBondContact O-CB 3.38Å; A90-C92 PolarHBondContact O-N 2.77Å |
| 93 | F | 92.1 | Very high | 94.4 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | -15 | -177 | -42.3 | -75.3 | 0 | 0 | 0 | 113.8 | V58 V60 T88 A89 A90 H91 Y99 A100 I105 A145 L147 | V58-F93 HydrophobicContact CG1-CE1 3.66Å; V58-F93 HydrophobicContact CG1-CZ 3.75Å; V60-F93 HydrophobicContact CG2-CD1 3.55Å; V60-F93 HydrophobicContact CG2-CE1 3.76Å; T88-F93 HydrophobicContact CG2-CE2 3.71Å; T88-F93 HydrophobicContact CG2-CZ 3.73Å; A89-F93 WeakPolarHBondContact O-CE2 3.26Å; A90-F93 PolarHBondContact O-N 2.74Å; H91-F93 PolarHBondContact O-N 2.89Å; F93-Y99 HydrophobicContact CB-CD1 4.15Å; F93-Y99 CarbonylContact O-C 3.59Å; F93-Y99 WeakPolarHBondContact O-CA 3.34Å; F93-A100 HydrophobicContact CB-CB 4.29Å; F93-A100 PolarHBondContact O-N 2.85Å; F93-I105 HydrophobicContact CD1-CD1 3.59Å; F93-I105 HydrophobicContact CD1-CG1 4.18Å; F93-I105 HydrophobicContact CE1-CD1 3.82Å; F93-I105 HydrophobicContact CE1-CG1 4.3Å; F93-I105 HydrophobicContact CE1-CG2 3.81Å; F93-I105 HydrophobicContact CG-CD1 4.42Å; F93-A145 HydrophobicContact CD2-CB 4.15Å; F93-A145 HydrophobicContact CE2-CB 3.76Å; F93-L147 HydrophobicContact CE1-CD2 4.24Å; F93-L147 HydrophobicContact CE2-CD2 4.15Å; F93-L147 HydrophobicContact CZ-CD1 4.21Å; F93-L147 HydrophobicContact CZ-CD2 3.68Å; F93-L147 HydrophobicContact CZ-CG 4.38Å |
| 94 | E | 92.2 | Very high | 94.3 | Very high | 9 Ų | 9 | 49.7 Ų | 49.7 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 124.3 | -175.2 | -171.5 | -76.8 | 124.2 | 0 | 0 | 111.6 | A90 E96 G97 K98 Y99 F135 R137 | A90-E94 PolarHBondContact O-N 3.26Å; E94-E96 PolarHBondContact OE1-N 3.11Å; E94-G97 PolarHBondContact OE1-N 3.06Å; E94-K98 CarbonylContact C-O 3.57Å; E94-K98 WeakPolarHBondContact CA-O 3.2Å; E94-Y99 HydrophobicContact CB-CD1 4.24Å; E94-Y99 HydrophobicContact CB-CE1 3.86Å; E94-Y99 HydrophobicContact CB-CE2 4.45Å; E94-Y99 HydrophobicContact CG-CE1 4.34Å; E94-Y99 HydrophobicContact CG-CE2 4.07Å; E94-F135 HydrophobicContact CB-CD1 4.36Å; E94-F135 HydrophobicContact CG-CD1 4.21Å; E94-F135 HydrophobicContact CG-CE1 4.45Å; E94-R137 WeakPolarHBondContact OE2-CD 3.34Å; E94-R137 IonicContact OE2-NE 2.62Å |
| 95 | R | 87.9 | Confident | 94.3 | Very high | 100 Ų | 100 | 48.9 Ų | 48.9 | 38% | 0.377 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 109.9 | 171.9 | -59 | -72 | 173.7 | -94.4 | -3.7 | 109 | E68 H91 G97 K98 | E68-R95 VanDerWaalsContact CD-NH2 3.25Å; E68-R95 IonicContact OE1-CZ 3.61Å; E68-R95 IonicContact OE1-NE 3.9Å; E68-R95 PolarHBondContact OE1-NE 3.34Å; E68-R95 IonicContact OE1-NH2 2.8Å; E68-R95 PolarHBondContact OE1-NH2 2.67Å; E68-R95 IonicContact OE2-CZ 3.2Å; E68-R95 VanDerWaalsContact OE2-CZ 3.27Å; E68-R95 IonicContact OE2-NE 3.57Å; E68-R95 PolarHBondContact OE2-NE 2.92Å; E68-R95 VanDerWaalsContact OE2-NE 3.09Å; E68-R95 IonicContact OE2-NH2 3.21Å; E68-R95 PolarHBondContact OE2-NH2 3.39Å; H91-R95 PolarHBondContact O-NH1 3.16Å; R95-G97 PolarHBondContact O-N 2.81Å; R95-K98 PolarHBondContact N-O 3.07Å; R95-K98 WeakPolarHBondContact O-CB 3.3Å; R95-K98 PolarHBondContact O-N 3.33Å; R95-K98 VanDerWaalsContact O-N 3.16Å |
| 96 | E | 86.7 | Confident | 94.3 | Very high | 164 Ų | 164 | 49.4 Ų | 49.4 | 77% | 0.766 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 46.9 | 174.6 | -54.2 | -175.1 | 157.4 | 0 | 0 | 114 | E94 K98 | E94-E96 PolarHBondContact OE1-N 3.11Å; E96-K98 VanDerWaalsContact C-N 3.26Å; E96-K98 PolarHBondContact O-N 3.44Å |
| 97 | G | 85.2 | Confident | 94.2 | Very high | 68 Ų | 68 | 49.4 Ų | 49.4 | 70% | 0.701 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | 6.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | E94 R95 | E94-G97 PolarHBondContact OE1-N 3.06Å; R95-G97 PolarHBondContact O-N 2.81Å |
| 98 | K | 91.4 | Very high | 94.2 | Very high | 156 Ų | 156 | 49.7 Ų | 49.7 | 68% | 0.678 | 25% | 0.247 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 134.6 | 180 | -62.7 | 171.1 | -173.4 | 161.9 | 0 | 110.4 | E94 R95 E96 | E94-K98 CarbonylContact C-O 3.57Å; E94-K98 WeakPolarHBondContact CA-O 3.2Å; R95-K98 PolarHBondContact N-O 3.07Å; R95-K98 WeakPolarHBondContact O-CB 3.3Å; R95-K98 PolarHBondContact O-N 3.33Å; R95-K98 VanDerWaalsContact O-N 3.16Å; E96-K98 VanDerWaalsContact C-N 3.26Å; E96-K98 PolarHBondContact O-N 3.44Å |
| 99 | Y | 93.6 | Very high | 94.2 | Very high | 67 Ų | 67 | 49.7 Ų | 49.7 | 26% | 0.263 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 146.2 | 175.9 | -75 | -96.6 | 0 | 0 | 0 | 111 | A90 F93 E94 Y130 H132 | A90-Y99 HydrophobicContact CB-CE1 4.46Å; F93-Y99 HydrophobicContact CB-CD1 4.15Å; F93-Y99 CarbonylContact O-C 3.59Å; F93-Y99 WeakPolarHBondContact O-CA 3.34Å; E94-Y99 HydrophobicContact CB-CD1 4.24Å; E94-Y99 HydrophobicContact CB-CE1 3.86Å; E94-Y99 HydrophobicContact CB-CE2 4.45Å; E94-Y99 HydrophobicContact CG-CE1 4.34Å; E94-Y99 HydrophobicContact CG-CE2 4.07Å; Y99-Y130 WeakPolarHBondContact CB-OH 3.25Å; Y99-Y130 HydrophobicContact CD1-CE2 4.36Å; Y99-H132 AromaticContact CD1-CD2 3.77Å; Y99-H132 AromaticContact CD2-NE2 3.92Å; Y99-H132 HydrophobicContact CE1-CB 4.07Å; Y99-H132 AromaticContact CE1-CD2 3.48Å; Y99-H132 VanDerWaalsContact CE1-CD2 3.48Å; Y99-H132 WeakPolarHBondContact CE1-CD2 3.43Å; Y99-H132 AromaticContact CE1-CG 3.63Å; Y99-H132 AromaticContact CE1-NE2 3.99Å; Y99-H132 AromaticContact CE2-CE1 3.82Å; Y99-H132 AromaticContact CE2-NE2 3.61Å; Y99-H132 AromaticContact CZ-CD2 3.6Å; Y99-H132 AromaticContact CZ-CE1 3.71Å; Y99-H132 AromaticContact CZ-CG 3.68Å; Y99-H132 AromaticContact CZ-ND1 3.72Å; Y99-H132 AromaticContact CZ-NE2 3.64Å; Y99-H132 PolarHBondContact OH-ND1 2.81Å |
| 100 | A | 94.5 | Very high | 94.1 | Very high | 20 Ų | 20 | 49.9 Ų | 49.9 | 17% | 0.165 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -62.2 | 140.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | V60 F93 V102 Y130 | V60-A100 HydrophobicContact CG1-CB 3.78Å; F93-A100 HydrophobicContact CB-CB 4.29Å; F93-A100 PolarHBondContact O-N 2.85Å; A100-V102 PolarHBondContact O-N 3.07Å; A100-Y130 PolarHBondContact O-OH 2.74Å |
| 101 | D | 95.4 | Very high | 94.1 | Very high | 83 Ų | 83 | 50.3 Ų | 50.3 | 44% | 0.444 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 129.2 | 168.3 | -176.7 | -29.7 | 0 | 0 | 0 | 108.9 | K103 K104 | D101-K103 PolarHBondContact O-N 2.86Å; D101-K103 WeakPolarHBondContact OD1-CB 3.4Å; D101-K103 WeakPolarHBondContact OD1-CG 3.37Å; D101-K103 PolarHBondContact OD1-N 2.62Å; D101-K104 HydrophobicContact CB-CG 4.47Å; D101-K104 VanDerWaalsContact O-CB 3.31Å; D101-K104 WeakPolarHBondContact O-CB 3.42Å; D101-K104 PolarHBondContact O-N 3.1Å |
| 102 | V | 96.4 | Very high | 94.2 | Very high | 36 Ų | 36 | 49 Ų | 49 | 22% | 0.218 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -52.5 | -31.2 | -179.6 | 68.6 | 0 | 0 | 0 | 0 | 113.4 | A100 K104 I105 V127 Y130 | A100-V102 PolarHBondContact O-N 3.07Å; V102-K104 PolarHBondContact O-N 2.98Å; V102-K104 VanDerWaalsContact O-N 3.11Å; V102-I105 PolarHBondContact O-N 2.65Å; V102-V127 HydrophobicContact CG2-CB 3.81Å; V102-V127 HydrophobicContact CG2-CG1 3.55Å; V102-V127 WeakPolarHBondContact CG2-O 3.32Å; V102-Y130 HydrophobicContact CB-CD1 4.29Å; V102-Y130 HydrophobicContact CB-CE1 4.17Å; V102-Y130 HydrophobicContact CG2-CD1 4.11Å; V102-Y130 HydrophobicContact CG2-CE1 4.46Å |
| 103 | K | 96 | Very high | 94.3 | Very high | 175 Ų | 175 | 51 Ų | 51 | 76% | 0.761 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -63.1 | -17.4 | 177 | -64.2 | 168 | -172.9 | 161.8 | 0 | 113.5 | D101 | D101-K103 PolarHBondContact O-N 2.86Å; D101-K103 WeakPolarHBondContact OD1-CB 3.4Å; D101-K103 WeakPolarHBondContact OD1-CG 3.37Å; D101-K103 PolarHBondContact OD1-N 2.62Å |
| 104 | K | 96.1 | Very high | 94.3 | Very high | 98 Ų | 98 | 52.6 Ų | 52.6 | 43% | 0.426 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -93 | 5.9 | 175.2 | -61.2 | -178.9 | 161.5 | -149.8 | 0 | 113 | V60 H61 D101 V102 | V60-K104 CarbonylContact C-O 3.55Å; V60-K104 WeakPolarHBondContact CA-O 3.44Å; H61-K104 HydrophobicContact CB-CB 4.45Å; H61-K104 PolarHBondContact CD2-O 3.04Å; H61-K104 VanDerWaalsContact CD2-O 3.26Å; H61-K104 PolarHBondContact N-O 2.88Å; H61-K104 WeakPolarHBondContact O-CD 3.34Å; D101-K104 HydrophobicContact CB-CG 4.47Å; D101-K104 VanDerWaalsContact O-CB 3.31Å; D101-K104 WeakPolarHBondContact O-CB 3.42Å; D101-K104 PolarHBondContact O-N 3.1Å; V102-K104 PolarHBondContact O-N 2.98Å; V102-K104 VanDerWaalsContact O-N 3.11Å |
| 105 | I | 97.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 121.6 | -175.6 | -47.6 | 174.1 | 0 | 0 | 0 | 110.1 | V58 M59 F93 V102 V127 Y130 | V58-I105 HydrophobicContact CG1-CG2 4.02Å; M59-I105 WeakPolarHBondContact O-CA 3.37Å; F93-I105 HydrophobicContact CD1-CD1 3.59Å; F93-I105 HydrophobicContact CD1-CG1 4.18Å; F93-I105 HydrophobicContact CE1-CD1 3.82Å; F93-I105 HydrophobicContact CE1-CG1 4.3Å; F93-I105 HydrophobicContact CE1-CG2 3.81Å; F93-I105 HydrophobicContact CG-CD1 4.42Å; V102-I105 PolarHBondContact O-N 2.65Å; I105-V127 HydrophobicContact CB-CB 4.19Å; I105-V127 HydrophobicContact CB-CG2 3.96Å; I105-V127 HydrophobicContact CG2-CB 4.33Å; I105-V127 HydrophobicContact CG2-CG2 3.57Å; I105-V127 PolarHBondContact O-N 2.84Å; I105-Y130 HydrophobicContact CD1-CD1 3.84Å; I105-Y130 HydrophobicContact CD1-CE1 3.45Å; I105-Y130 VanDerWaalsContact CD1-CE1 3.45Å |
| 106 | T | 97.5 | Very high | 94.8 | Very high | 13 Ų | 13 | 53.6 Ų | 53.6 | 8% | 0.08 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 155 | 167.8 | 60.3 | 0 | 0 | 0 | 0 | 110.9 | M59 H61 E124 I125 K126 | M59-T106 WeakPolarHBondContact CE-OG1 3.37Å; M59-T106 PolarHBondContact N-O 2.95Å; M59-T106 PolarHBondContact O-N 3.37Å; H61-T106 PolarHBondContact NE2-OG1 3.13Å; T106-E124 WeakPolarHBondContact CB-OE1 3.27Å; T106-E124 HydrophobicContact CG2-CG 4.43Å; T106-E124 PolarHBondContact OG1-OE1 2.81Å; T106-I125 CarbonylContact C-O 3.55Å; T106-I125 WeakPolarHBondContact CA-O 3.13Å; T106-K126 HydrophobicContact CG2-CG 4.09Å |
| 107 | V | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 126.1 | 178.5 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | V56 R57 V58 V86 V109 E124 I125 V127 L147 L149 | V56-V107 HydrophobicContact CB-CG1 3.64Å; V56-V107 HydrophobicContact CG1-CG1 4.18Å; V56-V107 HydrophobicContact CG2-CG1 3.59Å; R57-V107 CarbonylContact O-C 3.56Å; R57-V107 WeakPolarHBondContact O-CA 3.45Å; V58-V107 HydrophobicContact CG2-CG2 4.38Å; V86-V107 HydrophobicContact CG2-CG1 4.24Å; V107-V109 HydrophobicContact CG1-CG1 4.09Å; V107-E124 WeakPolarHBondContact O-CA 3.26Å; V107-I125 PolarHBondContact N-O 2.91Å; V107-I125 PolarHBondContact O-N 3.1Å; V107-V127 HydrophobicContact CG2-CG2 3.9Å; V107-L147 HydrophobicContact CG2-CD1 3.81Å; V107-L149 HydrophobicContact CB-CD2 3.81Å; V107-L149 HydrophobicContact CG1-CD2 4.41Å; V107-L149 HydrophobicContact CG2-CD2 3.8Å |
| 108 | L | 97.5 | Very high | 95.5 | Very high | 5 Ų | 5 | 53.9 Ų | 53.9 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 118.1 | 171.6 | -172.5 | 160.9 | 0 | 0 | 0 | 109.4 | V56 R57 M59 M114 R122 R123 | V56-L108 WeakPolarHBondContact CA-O 3.42Å; V56-L108 WeakPolarHBondContact CB-O 3.31Å; R57-L108 HydrophobicContact CB-CB 4.36Å; R57-L108 PolarHBondContact N-O 2.96Å; R57-L108 PolarHBondContact O-N 3.49Å; M59-L108 HydrophobicContact CE-CB 4.07Å; L108-M114 HydrophobicContact CD1-SD 4.34Å; L108-M114 HydrophobicContact CD2-CE 3.98Å; L108-M114 HydrophobicContact CD2-SD 4.48Å; L108-R122 HydrophobicContact CD2-CB 4.34Å; L108-R123 CarbonylContact C-O 3.58Å; L108-R123 WeakPolarHBondContact CA-O 3.41Å |
| 109 | V | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 155.5 | 177.3 | -51.9 | 0 | 0 | 0 | 0 | 110.9 | V56 L74 V107 G111 R122 R123 I125 V153 I159 | V56-V109 HydrophobicContact CB-CG1 4.44Å; V56-V109 HydrophobicContact CG1-CB 4.27Å; V56-V109 HydrophobicContact CG1-CG1 3.73Å; L74-V109 HydrophobicContact CD2-CG1 4.38Å; V107-V109 HydrophobicContact CG1-CG1 4.09Å; V109-G111 PolarHBondContact O-N 3.07Å; V109-G111 VanDerWaalsContact O-N 3.1Å; V109-R122 WeakPolarHBondContact O-CA 3.17Å; V109-R123 HydrophobicContact CG2-CB 3.89Å; V109-R123 PolarHBondContact N-O 2.91Å; V109-R123 PolarHBondContact O-N 2.92Å; V109-I125 HydrophobicContact CG2-CD1 4.12Å; V109-V153 HydrophobicContact CG1-CG1 4.39Å; V109-V153 HydrophobicContact CG2-CG1 4.01Å; V109-I159 HydrophobicContact CG2-CD1 3.9Å |
| 110 | G | 96.7 | Very high | 95.8 | Very high | 4 Ų | 4 | 49 Ų | 49 | 4% | 0.041 | 27% | 0.271 | C | S | . | . | S | Bend | trans | 64.9 | 14.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | T121 R122 | G110-T121 CarbonylContact O-C 3.49Å; G110-T121 VanDerWaalsContact O-C 3.31Å; G110-T121 WeakPolarHBondContact O-CB 3.32Å; G110-T121 PolarHBondContact O-OG1 3.02Å; G110-R122 PolarHBondContact O-N 2.65Å |
| 111 | G | 95.6 | Very high | 95.9 | Very high | 9 Ų | 9 | 49.7 Ų | 49.7 | 9% | 0.093 | 27% | 0.274 | C | S | . | . | trans | -95.5 | 155 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V109 W182 | V109-G111 PolarHBondContact O-N 3.07Å; V109-G111 VanDerWaalsContact O-N 3.1Å; G111-W182 WeakPolarHBondContact O-CZ2 3.2Å | ||
| 112 | H | 96 | Very high | 95.9 | Very high | 15 Ų | 15 | 48.5 Ų | 48.5 | 7% | 0.069 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -123.3 | -41.8 | 173.5 | 173.9 | 68.6 | 0 | 0 | 0 | 111.3 | A47 P49 E119 W182 L194 L195 | A47-H112 PolarHBondContact O-CE1 2.79Å; P49-H112 HydrophobicContact CB-CB 4.2Å; H112-E119 WeakPolarHBondContact CB-OE1 3.46Å; H112-E119 PolarHBondContact N-OE1 2.83Å; H112-E119 PolarHBondContact N-OE2 2.88Å; H112-W182 PolarHBondContact O-NE1 3.39Å; H112-L194 CarbonylContact O-C 3.6Å; H112-L194 WeakPolarHBondContact O-CA 3.48Å; H112-L195 PolarHBondContact O-N 3.17Å |
| 113 | N | 96.2 | Very high | 95.9 | Very high | 43 Ų | 43 | 53.5 Ų | 53.5 | 23% | 0.23 | 28% | 0.278 | C | S | . | . | B | Isolated β-bridge | trans | -112.5 | 104.2 | -176.5 | -177.2 | 13.2 | 0 | 0 | 0 | 111.5 | A115 D116 E119 A193 L194 | N113-A115 PolarHBondContact O-N 3.44Å; N113-A115 WeakPolarHBondContact OD1-CB 3.17Å; N113-A115 PolarHBondContact OD1-N 2.82Å; N113-A115 VanDerWaalsContact OD1-N 3.1Å; N113-D116 HydrophobicContact CB-CB 4.14Å; N113-D116 PolarHBondContact O-N 3.18Å; N113-E119 PolarHBondContact N-OE2 3.35Å; N113-A193 CarbonylContact C-O 3.57Å; N113-A193 WeakPolarHBondContact CA-O 3.43Å; N113-L194 HydrophobicContact CB-CD2 3.71Å |
| 114 | M | 93.3 | Very high | 96 | Very high | 38 Ų | 38 | 49.9 Ų | 49.9 | 19% | 0.187 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -16 | 179.3 | -57 | -60.4 | 93.4 | 0 | 0 | 113.5 | R57 L108 D116 W182 A193 | R57-M114 WeakPolarHBondContact CD-SD 3.49Å; L108-M114 HydrophobicContact CD1-SD 4.34Å; L108-M114 HydrophobicContact CD2-CE 3.98Å; L108-M114 HydrophobicContact CD2-SD 4.48Å; M114-D116 VanDerWaalsContact C-N 3.33Å; M114-W182 HydrophobicContact CE-CZ2 3.72Å; M114-W182 HydrophobicContact CG-CB 4.48Å; M114-W182 VanDerWaalsContact CG-CD1 3.46Å; M114-W182 HydrophobicContact CG-CD2 4.14Å; M114-W182 HydrophobicContact CG-CG 3.8Å; M114-W182 HydrophobicContact SD-CD2 4.27Å; M114-W182 HydrophobicContact SD-CZ2 4.35Å; M114-A193 PolarHBondContact N-O 3.46Å |
| 115 | A | 93.9 | Very high | 96.1 | Very high | 72 Ų | 72 | 46.3 Ų | 46.3 | 60% | 0.595 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -6.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | N113 P117 A193 | N113-A115 PolarHBondContact O-N 3.44Å; N113-A115 WeakPolarHBondContact OD1-CB 3.17Å; N113-A115 PolarHBondContact OD1-N 2.82Å; N113-A115 VanDerWaalsContact OD1-N 3.1Å; A115-P117 VanDerWaalsContact O-CD 3.29Å; A115-P117 WeakPolarHBondContact O-CD 3.16Å; A115-A193 HydrophobicContact CB-CB 3.96Å |
| 116 | D | 95.8 | Very high | 96.1 | Very high | 58 Ų | 58 | 52 Ų | 52 | 31% | 0.31 | 27% | 0.274 | S | S | . | . | trans | -103.3 | 101.9 | 175.4 | -173.7 | -3 | 0 | 0 | 0 | 110.8 | N113 M114 Q118 E119 R122 | N113-D116 HydrophobicContact CB-CB 4.14Å; N113-D116 PolarHBondContact O-N 3.18Å; M114-D116 VanDerWaalsContact C-N 3.33Å; D116-Q118 PolarHBondContact O-N 3.47Å; D116-Q118 WeakPolarHBondContact OD1-CA 3.43Å; D116-Q118 PolarHBondContact OD1-N 2.81Å; D116-E119 HydrophobicContact CB-CB 4.24Å; D116-E119 PolarHBondContact OD1-N 3.22Å; D116-R122 WeakPolarHBondContact O-CD 3.14Å; D116-R122 PolarHBondContact O-NH1 2.91Å | ||
| 117 | P | 92.4 | Very high | 96.1 | Very high | 80 Ų | 80 | 51.6 Ų | 51.6 | 52% | 0.519 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -10.4 | 175.7 | 27.7 | -32.9 | 0 | 0 | 0 | 113.9 | A115 R122 | A115-P117 VanDerWaalsContact O-CD 3.29Å; A115-P117 WeakPolarHBondContact O-CD 3.16Å; P117-R122 VanDerWaalsContact C-NE 3.28Å; P117-R122 VanDerWaalsContact CA-CZ 3.41Å; P117-R122 PolarHBondContact O-NE 3.44Å; P117-R122 PolarHBondContact O-NH2 3.26Å |
| 118 | Q | 94.2 | Very high | 96.1 | Very high | 159 Ų | 159 | 55.2 Ų | 55.2 | 74% | 0.743 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115 | 8.7 | -174.3 | -58.2 | -58.7 | -44.1 | 0 | 0 | 113.5 | D116 S120 | D116-Q118 PolarHBondContact O-N 3.47Å; D116-Q118 WeakPolarHBondContact OD1-CA 3.43Å; D116-Q118 PolarHBondContact OD1-N 2.81Å; Q118-S120 PolarHBondContact O-N 3.14Å |
| 119 | E | 95.9 | Very high | 96.1 | Very high | 22 Ų | 22 | 56.4 Ų | 56.4 | 10% | 0.103 | 29% | 0.293 | C | S | . | . | trans | -53.5 | 115.5 | 176.9 | -175.9 | -177.3 | 164.5 | 0 | 0 | 110.3 | H112 N113 D116 T121 R122 | H112-E119 WeakPolarHBondContact CB-OE1 3.46Å; H112-E119 PolarHBondContact N-OE1 2.83Å; H112-E119 PolarHBondContact N-OE2 2.88Å; N113-E119 PolarHBondContact N-OE2 3.35Å; D116-E119 HydrophobicContact CB-CB 4.24Å; D116-E119 PolarHBondContact OD1-N 3.22Å; E119-T121 PolarHBondContact O-N 3.46Å; E119-T121 PolarHBondContact OE1-OG1 3.28Å; E119-R122 HydrophobicContact CB-CB 4.21Å; E119-R122 HydrophobicContact CB-CG 4.35Å; E119-R122 WeakPolarHBondContact O-CB 3.42Å; E119-R122 VanDerWaalsContact O-CG 3.27Å; E119-R122 WeakPolarHBondContact O-CG 3.37Å; E119-R122 PolarHBondContact O-N 2.99Å | ||
| 120 | S | 96 | Very high | 96 | Very high | 97 Ų | 97 | 57.1 Ų | 57.1 | 68% | 0.678 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -24.7 | -161.9 | 62.1 | 0 | 0 | 0 | 0 | 115 | Q118 R123 | Q118-S120 PolarHBondContact O-N 3.14Å; S120-R123 VanDerWaalsContact O-CZ 3.31Å; S120-R123 PolarHBondContact O-NH1 3.37Å; S120-R123 PolarHBondContact O-NH2 3.25Å |
| 121 | T | 95.8 | Very high | 96 | Very high | 36 Ų | 36 | 58.1 Ų | 58.1 | 22% | 0.221 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -21.1 | 176.8 | 47.3 | 0 | 0 | 0 | 0 | 113.7 | G110 E119 | G110-T121 CarbonylContact O-C 3.49Å; G110-T121 VanDerWaalsContact O-C 3.31Å; G110-T121 WeakPolarHBondContact O-CB 3.32Å; G110-T121 PolarHBondContact O-OG1 3.02Å; E119-T121 PolarHBondContact O-N 3.46Å; E119-T121 PolarHBondContact OE1-OG1 3.28Å |
| 122 | R | 96.2 | Very high | 95.9 | Very high | 58 Ų | 58 | 58.9 Ų | 58.9 | 22% | 0.219 | 30% | 0.3 | C | S | . | . | trans | -71.8 | 135.8 | -173.7 | 93.7 | -171 | -153.1 | 123.7 | 17.9 | 111.4 | L108 V109 G110 D116 P117 E119 | L108-R122 HydrophobicContact CD2-CB 4.34Å; V109-R122 WeakPolarHBondContact O-CA 3.17Å; G110-R122 PolarHBondContact O-N 2.65Å; D116-R122 WeakPolarHBondContact O-CD 3.14Å; D116-R122 PolarHBondContact O-NH1 2.91Å; P117-R122 VanDerWaalsContact C-NE 3.28Å; P117-R122 VanDerWaalsContact CA-CZ 3.41Å; P117-R122 PolarHBondContact O-NE 3.44Å; P117-R122 PolarHBondContact O-NH2 3.26Å; E119-R122 HydrophobicContact CB-CB 4.21Å; E119-R122 HydrophobicContact CB-CG 4.35Å; E119-R122 WeakPolarHBondContact O-CB 3.42Å; E119-R122 VanDerWaalsContact O-CG 3.27Å; E119-R122 WeakPolarHBondContact O-CG 3.37Å; E119-R122 PolarHBondContact O-N 2.99Å | ||
| 123 | R | 96.2 | Very high | 95.8 | Very high | 141 Ų | 141 | 60.2 Ų | 60.2 | 53% | 0.532 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 132.2 | 171.5 | -60.2 | -67.6 | 176.6 | -93.4 | -7 | 109.3 | L108 V109 S120 I125 | L108-R123 CarbonylContact C-O 3.58Å; L108-R123 WeakPolarHBondContact CA-O 3.41Å; V109-R123 HydrophobicContact CG2-CB 3.89Å; V109-R123 PolarHBondContact N-O 2.91Å; V109-R123 PolarHBondContact O-N 2.92Å; S120-R123 VanDerWaalsContact O-CZ 3.31Å; S120-R123 PolarHBondContact O-NH1 3.37Å; S120-R123 PolarHBondContact O-NH2 3.25Å; R123-I125 HydrophobicContact CB-CD1 4.47Å; R123-I125 HydrophobicContact CB-CG1 4.41Å |
| 124 | E | 96.8 | Very high | 95.5 | Very high | 99 Ų | 99 | 60.8 Ų | 60.8 | 46% | 0.463 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 130.6 | 171.3 | -173.4 | 173.7 | 169.2 | 0 | 0 | 109.4 | M59 T106 V107 | M59-E124 HydrophobicContact CE-CG 4.02Å; M59-E124 WeakPolarHBondContact CE-OE1 3.1Å; T106-E124 WeakPolarHBondContact CB-OE1 3.27Å; T106-E124 HydrophobicContact CG2-CG 4.43Å; T106-E124 PolarHBondContact OG1-OE1 2.81Å; V107-E124 WeakPolarHBondContact O-CA 3.26Å |
| 125 | I | 98 | Very high | 95.6 | Very high | 23 Ų | 23 | 60 Ų | 60 | 12% | 0.118 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 133.8 | -170.3 | -50.5 | 174.9 | 0 | 0 | 0 | 108.1 | T106 V107 V109 R123 L149 V153 | T106-I125 CarbonylContact C-O 3.55Å; T106-I125 WeakPolarHBondContact CA-O 3.13Å; V107-I125 PolarHBondContact N-O 2.91Å; V107-I125 PolarHBondContact O-N 3.1Å; V109-I125 HydrophobicContact CG2-CD1 4.12Å; R123-I125 HydrophobicContact CB-CD1 4.47Å; R123-I125 HydrophobicContact CB-CG1 4.41Å; I125-L149 HydrophobicContact CB-CD2 4.46Å; I125-L149 HydrophobicContact CD1-CD1 4.26Å; I125-L149 HydrophobicContact CG2-CB 4.03Å; I125-L149 HydrophobicContact CG2-CD2 4.4Å; I125-V153 HydrophobicContact CD1-CG1 3.2Å |
| 126 | K | 98.2 | Very high | 95.5 | Very high | 120 Ų | 120 | 58.3 Ų | 58.3 | 52% | 0.522 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 153.4 | 174.9 | -69.8 | 175.8 | 180 | 179.1 | 0 | 111.3 | T106 E150 | T106-K126 HydrophobicContact CG2-CG 4.09Å; K126-E150 HydrophobicContact CB-CG 3.86Å; K126-E150 WeakPolarHBondContact CD-OE1 3.43Å; K126-E150 PolarHBondContact O-N 3.22Å |
| 127 | V | 98.2 | Very high | 95.2 | Very high | 5 Ų | 5 | 62.8 Ų | 62.8 | 3% | 0.03 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 133.6 | 170.2 | -179.7 | 0 | 0 | 0 | 0 | 109.3 | V102 I105 V107 Q129 L147 Q148 | V102-V127 HydrophobicContact CG2-CB 3.81Å; V102-V127 HydrophobicContact CG2-CG1 3.55Å; V102-V127 WeakPolarHBondContact CG2-O 3.32Å; I105-V127 HydrophobicContact CB-CB 4.19Å; I105-V127 HydrophobicContact CB-CG2 3.96Å; I105-V127 HydrophobicContact CG2-CB 4.33Å; I105-V127 HydrophobicContact CG2-CG2 3.57Å; I105-V127 PolarHBondContact O-N 2.84Å; V107-V127 HydrophobicContact CG2-CG2 3.9Å; V127-Q129 VanDerWaalsContact CG1-O 3.25Å; V127-Q129 WeakPolarHBondContact CG1-O 3.45Å; V127-L147 HydrophobicContact CG1-CB 4.12Å; V127-L147 HydrophobicContact CG1-CD2 4.2Å; V127-L147 HydrophobicContact CG2-CB 4.3Å; V127-L147 HydrophobicContact CG2-CD1 4.23Å; V127-L147 HydrophobicContact CG2-CD2 4.39Å; V127-Q148 CarbonylContact C-O 3.45Å; V127-Q148 WeakPolarHBondContact CA-O 3.49Å; V127-Q148 WeakPolarHBondContact CG1-O 3.39Å |
| 128 | K | 97.4 | Very high | 95 | Very high | 75 Ų | 75 | 67.9 Ų | 67.9 | 33% | 0.326 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | -45.1 | 173.9 | 179.6 | -173.1 | 155.4 | -144.8 | 0 | 111.1 | Q148 E150 T287 | K128-Q148 PolarHBondContact N-O 3.19Å; K128-E150 HydrophobicContact CB-CG 4.25Å; K128-T287 PolarHBondContact NZ-O 3Å |
| 129 | Q | 97.2 | Very high | 94.9 | Very high | 31 Ų | 31 | 63.2 Ų | 63.2 | 15% | 0.145 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.9 | 166.5 | -177.8 | 50.6 | 173 | 9.4 | 0 | 0 | 109.2 | V127 Q148 L284 T287 | V127-Q129 VanDerWaalsContact CG1-O 3.25Å; V127-Q129 WeakPolarHBondContact CG1-O 3.45Å; Q129-Q148 HydrophobicContact CG-CB 4.15Å; Q129-Q148 PolarHBondContact O-N 3.03Å; Q129-L284 HydrophobicContact CB-CD2 4.39Å; Q129-L284 HydrophobicContact CG-CD2 3.7Å; Q129-L284 PolarHBondContact NE2-O 3.35Å; Q129-T287 PolarHBondContact NE2-OG1 3.23Å; Q129-T287 PolarHBondContact OE1-OG1 2.94Å |
| 130 | Y | 96.6 | Very high | 94.7 | Very high | 15 Ų | 15 | 64.5 Ų | 64.5 | 6% | 0.059 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 161.4 | 174.1 | 66.9 | -86.3 | 0 | 0 | 0 | 111.7 | Y99 A100 V102 I105 L146 L147 Q298 | Y99-Y130 WeakPolarHBondContact CB-OH 3.25Å; Y99-Y130 HydrophobicContact CD1-CE2 4.36Å; A100-Y130 PolarHBondContact O-OH 2.74Å; V102-Y130 HydrophobicContact CB-CD1 4.29Å; V102-Y130 HydrophobicContact CB-CE1 4.17Å; V102-Y130 HydrophobicContact CG2-CD1 4.11Å; V102-Y130 HydrophobicContact CG2-CE1 4.46Å; I105-Y130 HydrophobicContact CD1-CD1 3.84Å; I105-Y130 HydrophobicContact CD1-CE1 3.45Å; I105-Y130 VanDerWaalsContact CD1-CE1 3.45Å; Y130-L146 VanDerWaalsContact CA-O 3.25Å; Y130-L146 WeakPolarHBondContact CA-O 3.38Å; Y130-L146 WeakPolarHBondContact CB-O 3.43Å; Y130-L147 HydrophobicContact CD1-CD2 4.36Å; Y130-L147 HydrophobicContact CG-CD2 3.94Å; Y130-Q298 PolarHBondContact O-NE2 2.73Å; Y130-Q298 VanDerWaalsContact O-NE2 3.12Å |
| 131 | F | 95.4 | Very high | 94.6 | Very high | 24 Ų | 24 | 62 Ų | 62 | 11% | 0.105 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 155 | 166.3 | -61.5 | -34.7 | 0 | 0 | 0 | 110.4 | A145 L146 A283 L284 Q298 | F131-A145 CarbonylContact O-C 3.59Å; F131-A145 WeakPolarHBondContact O-CA 3.11Å; F131-L146 PolarHBondContact N-O 3.37Å; F131-L146 PolarHBondContact O-N 2.87Å; F131-A283 HydrophobicContact CE2-CB 3.74Å; F131-A283 HydrophobicContact CZ-CB 4.4Å; F131-L284 HydrophobicContact CD1-CD2 4.38Å; F131-L284 HydrophobicContact CD2-CD1 4.36Å; F131-L284 HydrophobicContact CD2-CD2 3.9Å; F131-L284 HydrophobicContact CD2-CG 3.79Å; F131-L284 HydrophobicContact CE1-CD2 4.28Å; F131-L284 HydrophobicContact CE2-CD2 3.79Å; F131-L284 HydrophobicContact CE2-CG 3.7Å; F131-L284 HydrophobicContact CG-CD2 4.18Å; F131-L284 HydrophobicContact CG-CG 4.5Å; F131-L284 HydrophobicContact CZ-CD2 3.99Å; F131-L284 HydrophobicContact CZ-CG 4.36Å; F131-Q298 HydrophobicContact CD1-CG 4.07Å; F131-Q298 HydrophobicContact CE1-CG 4.15Å |
| 132 | H | 94.6 | Very high | 94.6 | Very high | 25 Ų | 25 | 61.8 Ų | 61.8 | 12% | 0.116 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 167.8 | 169.3 | 64.8 | 77.4 | 0 | 0 | 0 | 109.7 | A90 Y99 D134 L144 A145 | A90-H132 HydrophobicContact CB-CB 4.16Å; Y99-H132 AromaticContact CD1-CD2 3.77Å; Y99-H132 AromaticContact CD2-NE2 3.92Å; Y99-H132 HydrophobicContact CE1-CB 4.07Å; Y99-H132 AromaticContact CE1-CD2 3.48Å; Y99-H132 VanDerWaalsContact CE1-CD2 3.48Å; Y99-H132 WeakPolarHBondContact CE1-CD2 3.43Å; Y99-H132 AromaticContact CE1-CG 3.63Å; Y99-H132 AromaticContact CE1-NE2 3.99Å; Y99-H132 AromaticContact CE2-CE1 3.82Å; Y99-H132 AromaticContact CE2-NE2 3.61Å; Y99-H132 AromaticContact CZ-CD2 3.6Å; Y99-H132 AromaticContact CZ-CE1 3.71Å; Y99-H132 AromaticContact CZ-CG 3.68Å; Y99-H132 AromaticContact CZ-ND1 3.72Å; Y99-H132 AromaticContact CZ-NE2 3.64Å; Y99-H132 PolarHBondContact OH-ND1 2.81Å; H132-D134 PolarHBondContact ND1-N 2.86Å; H132-L144 VanDerWaalsContact CA-O 3.25Å; H132-L144 WeakPolarHBondContact CA-O 3.48Å; H132-A145 HydrophobicContact CB-CB 4.32Å |
| 133 | H | 93.2 | Very high | 94.6 | Very high | 44 Ų | 44 | 59 Ų | 59 | 20% | 0.204 | 27% | 0.272 | C | S | . | . | trans | -105.9 | 54.2 | -175.5 | -163.4 | 55.1 | 0 | 0 | 0 | 113.6 | F135 N142 L144 Y273 W276 | H133-F135 VanDerWaalsContact C-N 3.35Å; H133-F135 PolarHBondContact O-N 3.47Å; H133-N142 HydrophobicContact CB-CB 4.31Å; H133-N142 WeakPolarHBondContact O-CB 3.28Å; H133-L144 PolarHBondContact N-O 2.83Å; H133-L144 VanDerWaalsContact N-O 3.09Å; H133-Y273 AromaticContact CD2-CD1 3.49Å; H133-Y273 VanDerWaalsContact CD2-CD1 3.49Å; H133-Y273 WeakPolarHBondContact CD2-CD1 3.47Å; H133-Y273 AromaticContact CD2-CE1 3.32Å; H133-Y273 WeakPolarHBondContact CD2-CE1 3.17Å; H133-Y273 AromaticContact NE2-CD1 3.7Å; H133-Y273 AromaticContact NE2-CE1 3.63Å; H133-W276 HydrophobicContact CB-CD2 3.97Å; H133-W276 HydrophobicContact CB-CE3 4.47Å; H133-W276 HydrophobicContact CB-CG 4.46Å; H133-W276 HydrophobicContact CB-CH2 4.37Å; H133-W276 HydrophobicContact CB-CZ2 3.85Å; H133-W276 AromaticContact CE1-CD1 3.63Å; H133-W276 AromaticContact CE1-CG 3.72Å; H133-W276 AromaticContact CG-CD1 3.92Å; H133-W276 AromaticContact CG-CD2 3.91Å; H133-W276 AromaticContact CG-CE2 3.93Å; H133-W276 AromaticContact CG-CG 3.91Å; H133-W276 AromaticContact CG-NE1 3.86Å; H133-W276 AromaticContact ND1-CD1 3.01Å; H133-W276 AromaticContact ND1-CD2 3.74Å; H133-W276 AromaticContact ND1-CE2 3.75Å; H133-W276 AromaticContact ND1-CG 3.29Å; H133-W276 VanDerWaalsContact ND1-CG 3.29Å; H133-W276 AromaticContact ND1-NE1 3.24Å; H133-W276 PolarHBondContact ND1-NE1 3.02Å | ||
| 134 | D | 90.5 | Very high | 94.6 | Very high | 55 Ų | 55 | 52.3 Ų | 52.3 | 29% | 0.294 | 25% | 0.247 | S | C | . | . | trans | 50.4 | 49.3 | 178.7 | -56 | -27.2 | 0 | 0 | 0 | 114.1 | H132 S136 | H132-D134 PolarHBondContact ND1-N 2.86Å; D134-S136 PolarHBondContact O-N 3.38Å | ||
| 135 | F | 94.1 | Very high | 94.7 | Very high | 21 Ų | 21 | 47.6 Ų | 47.6 | 9% | 0.092 | 23% | 0.225 | C | C | . | . | trans | -57.7 | 130.4 | -178.8 | 165.7 | -110.9 | 0 | 0 | 0 | 112.3 | A90 H91 E94 H133 R137 N140 E141 D143 | A90-F135 HydrophobicContact CB-CB 3.54Å; A90-F135 HydrophobicContact CB-CD1 4.36Å; A90-F135 HydrophobicContact CB-CG 3.93Å; H91-F135 HydrophobicContact CB-CE1 3.83Å; H91-F135 HydrophobicContact CB-CE2 4.46Å; H91-F135 HydrophobicContact CB-CZ 3.76Å; E94-F135 HydrophobicContact CB-CD1 4.36Å; E94-F135 HydrophobicContact CG-CD1 4.21Å; E94-F135 HydrophobicContact CG-CE1 4.45Å; H133-F135 VanDerWaalsContact C-N 3.35Å; H133-F135 PolarHBondContact O-N 3.47Å; F135-R137 HydrophobicContact CE1-CB 4.21Å; F135-R137 HydrophobicContact CE1-CG 4.43Å; F135-N140 HydrophobicContact CE2-CB 4.46Å; F135-E141 WeakPolarHBondContact CA-O 3.34Å; F135-E141 WeakPolarHBondContact CD2-O 3.48Å; F135-D143 HydrophobicContact CD2-CB 3.56Å; F135-D143 HydrophobicContact CE2-CB 3.7Å | ||
| 136 | S | 92.8 | Very high | 94.7 | Very high | 36 Ų | 36 | 46.5 Ų | 46.5 | 25% | 0.252 | 22% | 0.219 | S | C | . | . | trans | -103.1 | 111.9 | 177.9 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | D134 E138 T139 N140 E141 | D134-S136 PolarHBondContact O-N 3.38Å; S136-E138 PolarHBondContact O-N 2.85Å; S136-T139 VanDerWaalsContact CB-OG1 3.26Å; S136-T139 WeakPolarHBondContact CB-OG1 3.49Å; S136-T139 PolarHBondContact O-N 2.75Å; S136-T139 PolarHBondContact OG-N 3.03Å; S136-T139 PolarHBondContact OG-OG1 3.2Å; S136-N140 WeakPolarHBondContact O-CA 3.39Å; S136-N140 PolarHBondContact O-N 3.39Å; S136-E141 PolarHBondContact N-O 3.41Å; S136-E141 VanDerWaalsContact N-O 3.09Å | ||
| 137 | R | 89 | Confident | 94.7 | Very high | 153 Ų | 153 | 40.8 Ų | 40.8 | 58% | 0.577 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -19.2 | 177 | -158.9 | 178.5 | -169.2 | -158.9 | 4.3 | 113.4 | E94 F135 | E94-R137 WeakPolarHBondContact OE2-CD 3.34Å; E94-R137 IonicContact OE2-NE 2.62Å; F135-R137 HydrophobicContact CE1-CB 4.21Å; F135-R137 HydrophobicContact CE1-CG 4.43Å |
| 138 | E | 89.1 | Confident | 94.7 | Very high | 186 Ų | 186 | 41.1 Ų | 41.1 | 87% | 0.869 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -37 | 177.7 | -63.9 | -178.2 | 175.6 | 0 | 0 | 112.3 | S136 | S136-E138 PolarHBondContact O-N 2.85Š|
| 139 | T | 91.2 | Very high | 94.8 | Very high | 62 Ų | 62 | 37.7 Ų | 37.7 | 38% | 0.38 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | -12.3 | -175.1 | 59.7 | 0 | 0 | 0 | 0 | 113.8 | S136 E141 | S136-T139 VanDerWaalsContact CB-OG1 3.26Å; S136-T139 WeakPolarHBondContact CB-OG1 3.49Å; S136-T139 PolarHBondContact O-N 2.75Å; S136-T139 PolarHBondContact OG-N 3.03Å; S136-T139 PolarHBondContact OG-OG1 3.2Å; T139-E141 PolarHBondContact O-N 2.88Å; T139-E141 WeakPolarHBondContact OG1-CB 3.28Å; T139-E141 WeakPolarHBondContact OG1-CG 3.25Å; T139-E141 PolarHBondContact OG1-N 2.04Å; T139-E141 PolarHBondContact OG1-OE2 2.87Å |
| 140 | N | 91.5 | Very high | 94.8 | Very high | 48 Ų | 48 | 41 Ų | 41 | 26% | 0.257 | 20% | 0.196 | S | C | . | . | trans | 57 | 15.8 | -165.4 | -55.8 | -75.8 | 0 | 0 | 0 | 114.3 | F135 S136 F254 | F135-N140 HydrophobicContact CE2-CB 4.46Å; S136-N140 WeakPolarHBondContact O-CA 3.39Å; S136-N140 PolarHBondContact O-N 3.39Å; N140-F254 HydrophobicContact CB-CD1 3.57Å; N140-F254 HydrophobicContact CB-CE1 3.39Å; N140-F254 HydrophobicContact CB-CG 4.45Å; N140-F254 HydrophobicContact CB-CZ 4.14Å | ||
| 141 | E | 94.3 | Very high | 94.7 | Very high | 46 Ų | 46 | 45 Ų | 45 | 22% | 0.215 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | 150.3 | 176.5 | -71.3 | 178 | 152.3 | 0 | 0 | 111.8 | F135 S136 T139 D143 N213 L216 M217 | F135-E141 WeakPolarHBondContact CA-O 3.34Å; F135-E141 WeakPolarHBondContact CD2-O 3.48Å; S136-E141 PolarHBondContact N-O 3.41Å; S136-E141 VanDerWaalsContact N-O 3.09Å; T139-E141 PolarHBondContact O-N 2.88Å; T139-E141 WeakPolarHBondContact OG1-CB 3.28Å; T139-E141 WeakPolarHBondContact OG1-CG 3.25Å; T139-E141 PolarHBondContact OG1-N 2.04Å; T139-E141 PolarHBondContact OG1-OE2 2.87Å; E141-D143 VanDerWaalsContact C-N 3.3Å; E141-D143 PolarHBondContact O-N 3.19Å; E141-N213 HydrophobicContact CG-CB 4.45Å; E141-N213 WeakPolarHBondContact OE1-CB 3.39Å; E141-N213 PolarHBondContact OE1-ND2 2.9Å; E141-L216 HydrophobicContact CB-CD1 4.35Å; E141-L216 HydrophobicContact CG-CD1 4.13Å; E141-M217 HydrophobicContact CG-CE 3.93Å |
| 142 | N | 95.3 | Very high | 94.8 | Very high | 31 Ų | 31 | 47.5 Ų | 47.5 | 17% | 0.166 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 32.2 | 174.3 | -46.1 | -42.6 | 0 | 0 | 0 | 115.2 | H133 L144 Y273 | H133-N142 HydrophobicContact CB-CB 4.31Å; H133-N142 WeakPolarHBondContact O-CB 3.28Å; N142-L144 PolarHBondContact O-N 2.98Å; N142-Y273 HydrophobicContact CB-CE1 4.49Å; N142-Y273 WeakPolarHBondContact OD1-CE1 3.42Å; N142-Y273 PolarHBondContact OD1-OH 3.36Å |
| 143 | D | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -72 | 64.8 | 179.9 | -172.9 | 24.5 | 0 | 0 | 0 | 113.3 | A89 A90 H91 F135 E141 S253 V268 | A89-D143 WeakPolarHBondContact CA-O 3.13Å; A89-D143 WeakPolarHBondContact CB-OD1 3.26Å; A90-D143 WeakPolarHBondContact CA-OD1 3.41Å; A90-D143 PolarHBondContact N-OD1 3.12Å; H91-D143 IonicContact CE1-OD2 3.68Å; H91-D143 PolarHBondContact CE1-OD2 2.81Å; H91-D143 IonicContact CG-OD1 3.37Å; H91-D143 IonicContact CG-OD2 2.82Å; H91-D143 PolarHBondContact N-OD1 3.23Å; H91-D143 VanDerWaalsContact ND1-CG 3.34Å; H91-D143 IonicContact ND1-OD1 3.49Å; H91-D143 PolarHBondContact ND1-OD1 3.19Å; H91-D143 IonicContact ND1-OD2 3.75Å; H91-D143 PolarHBondContact ND1-OD2 2.87Å; F135-D143 HydrophobicContact CD2-CB 3.56Å; F135-D143 HydrophobicContact CE2-CB 3.7Å; E141-D143 VanDerWaalsContact C-N 3.3Å; E141-D143 PolarHBondContact O-N 3.19Å; D143-S253 WeakPolarHBondContact CB-OG 3.38Å; D143-S253 WeakPolarHBondContact OD2-CA 3.48Å; D143-S253 VanDerWaalsContact OD2-CB 3.31Å; D143-S253 WeakPolarHBondContact OD2-CB 3.22Å; D143-S253 PolarHBondContact OD2-OG 2.85Å; D143-V268 HydrophobicContact CB-CG2 3.9Å; D143-V268 WeakPolarHBondContact O-CG2 3.47Å | ||
| 144 | L | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -134.1 | 138.7 | -179.5 | -65.4 | 176.2 | 0 | 0 | 0 | 111.8 | L87 H132 H133 N142 V251 V268 L270 Y273 W276 | L87-L144 HydrophobicContact CD1-CD2 4.28Å; H132-L144 VanDerWaalsContact CA-O 3.25Å; H132-L144 WeakPolarHBondContact CA-O 3.48Å; H133-L144 PolarHBondContact N-O 2.83Å; H133-L144 VanDerWaalsContact N-O 3.09Å; N142-L144 PolarHBondContact O-N 2.98Å; L144-V251 HydrophobicContact CD2-CB 3.86Å; L144-V251 HydrophobicContact CD2-CG1 4.2Å; L144-V251 HydrophobicContact CD2-CG2 3.56Å; L144-V268 HydrophobicContact CD1-CG1 3.87Å; L144-V268 HydrophobicContact CD2-CB 4.06Å; L144-V268 HydrophobicContact CD2-CG1 3.97Å; L144-V268 HydrophobicContact CD2-CG2 4.22Å; L144-V268 HydrophobicContact CG-CB 4.39Å; L144-V268 HydrophobicContact CG-CG1 3.83Å; L144-V268 HydrophobicContact CG-CG2 4.43Å; L144-L270 HydrophobicContact CD1-CD1 4.4Å; L144-Y273 VanDerWaalsContact CD1-CB 3.42Å; L144-Y273 HydrophobicContact CD1-CD1 3.94Å; L144-Y273 HydrophobicContact CD1-CD2 3.58Å; L144-Y273 HydrophobicContact CD1-CE2 4.27Å; L144-Y273 HydrophobicContact CD1-CG 3.36Å; L144-W276 HydrophobicContact CB-CH2 3.85Å; L144-W276 HydrophobicContact CB-CZ3 3.69Å; L144-W276 HydrophobicContact CD1-CE3 4.25Å; L144-W276 HydrophobicContact CD1-CZ3 4.02Å; L144-W276 HydrophobicContact CG-CZ3 4.49Å | ||
| 145 | A | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 141.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | T88 F93 F131 H132 | T88-A145 HydrophobicContact CG2-CB 4.29Å; T88-A145 PolarHBondContact N-O 2.86Å; T88-A145 PolarHBondContact O-N 2.77Å; F93-A145 HydrophobicContact CD2-CB 4.15Å; F93-A145 HydrophobicContact CE2-CB 3.76Å; F131-A145 CarbonylContact O-C 3.59Å; F131-A145 WeakPolarHBondContact O-CA 3.11Å; H132-A145 HydrophobicContact CB-CB 4.32Å |
| 146 | L | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 112.1 | 174.9 | -172.3 | 68.3 | 0 | 0 | 0 | 108.6 | V75 L85 L87 Y130 F131 W276 L277 A281 L284 | V75-L146 HydrophobicContact CG2-CD1 4.01Å; L85-L146 HydrophobicContact CB-CD1 4.33Å; L85-L146 HydrophobicContact CD2-CD2 4.43Å; L85-L146 HydrophobicContact CD2-CG 4.49Å; L87-L146 HydrophobicContact CB-CD1 4.37Å; Y130-L146 VanDerWaalsContact CA-O 3.25Å; Y130-L146 WeakPolarHBondContact CA-O 3.38Å; Y130-L146 WeakPolarHBondContact CB-O 3.43Å; F131-L146 PolarHBondContact N-O 3.37Å; F131-L146 PolarHBondContact O-N 2.87Å; L146-W276 HydrophobicContact CB-CH2 4.1Å; L146-L277 HydrophobicContact CD1-CG 4.43Å; L146-L277 HydrophobicContact CD2-CG 4.43Å; L146-A281 HydrophobicContact CD2-CB 4.06Å; L146-L284 HydrophobicContact CB-CD1 4.39Å; L146-L284 HydrophobicContact CD2-CD1 3.85Å; L146-L284 HydrophobicContact CG-CD1 3.95Å |
| 147 | L | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 140.1 | 177.8 | -49.1 | 169.4 | 0 | 0 | 0 | 109.7 | V58 L85 V86 T88 F93 V107 V127 Y130 | V58-L147 HydrophobicContact CG1-CD1 4.08Å; V58-L147 HydrophobicContact CG2-CD1 4.06Å; L85-L147 WeakPolarHBondContact CA-O 3.46Å; V86-L147 HydrophobicContact CB-CB 4.19Å; V86-L147 HydrophobicContact CB-CD1 4.21Å; V86-L147 HydrophobicContact CG1-CD1 3.93Å; V86-L147 PolarHBondContact N-O 2.94Å; V86-L147 PolarHBondContact O-N 2.76Å; T88-L147 HydrophobicContact CG2-CD1 4.07Å; T88-L147 HydrophobicContact CG2-CG 4.22Å; F93-L147 HydrophobicContact CE1-CD2 4.24Å; F93-L147 HydrophobicContact CE2-CD2 4.15Å; F93-L147 HydrophobicContact CZ-CD1 4.21Å; F93-L147 HydrophobicContact CZ-CD2 3.68Å; F93-L147 HydrophobicContact CZ-CG 4.38Å; V107-L147 HydrophobicContact CG2-CD1 3.81Å; V127-L147 HydrophobicContact CG1-CB 4.12Å; V127-L147 HydrophobicContact CG1-CD2 4.2Å; V127-L147 HydrophobicContact CG2-CB 4.3Å; V127-L147 HydrophobicContact CG2-CD1 4.23Å; V127-L147 HydrophobicContact CG2-CD2 4.39Å; Y130-L147 HydrophobicContact CD1-CD2 4.36Å; Y130-L147 HydrophobicContact CG-CD2 3.94Å |
| 148 | Q | 98.4 | Very high | 95.8 | Very high | 12 Ų | 12 | 47.5 Ų | 47.5 | 6% | 0.056 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 124 | 162.5 | -167.7 | -172.2 | 19.1 | 0 | 0 | 109.6 | D84 V127 K128 Q129 L284 H285 | D84-Q148 HydrophobicContact CB-CG 4.27Å; D84-Q148 CarbonylContact O-C 3.51Å; D84-Q148 WeakPolarHBondContact O-CA 3.38Å; D84-Q148 VanDerWaalsContact OD2-CG 3.24Å; D84-Q148 WeakPolarHBondContact OD2-CG 3.36Å; D84-Q148 PolarHBondContact OD2-NE2 3.06Å; V127-Q148 CarbonylContact C-O 3.45Å; V127-Q148 WeakPolarHBondContact CA-O 3.49Å; V127-Q148 WeakPolarHBondContact CG1-O 3.39Å; K128-Q148 PolarHBondContact N-O 3.19Å; Q129-Q148 HydrophobicContact CG-CB 4.15Å; Q129-Q148 PolarHBondContact O-N 3.03Å; Q148-L284 HydrophobicContact CB-CB 4.39Å; Q148-L284 HydrophobicContact CB-CD1 4.43Å; Q148-L284 HydrophobicContact CB-CD2 4.4Å; Q148-L284 PolarHBondContact OE1-O 3.25Å; Q148-H285 PolarHBondContact NE2-CD2 3.25Å |
| 149 | L | 98.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 151.2 | 173.9 | -58.7 | 179.8 | 0 | 0 | 0 | 111.5 | D84 V86 V107 I125 N151 V153 | D84-L149 HydrophobicContact CB-CB 4.36Å; D84-L149 WeakPolarHBondContact O-CG 3.49Å; D84-L149 PolarHBondContact O-N 2.96Å; V86-L149 HydrophobicContact CG2-CD1 4.25Å; V86-L149 HydrophobicContact CG2-CD2 4.25Å; V86-L149 HydrophobicContact CG2-CG 4.29Å; V107-L149 HydrophobicContact CB-CD2 3.81Å; V107-L149 HydrophobicContact CG1-CD2 4.41Å; V107-L149 HydrophobicContact CG2-CD2 3.8Å; I125-L149 HydrophobicContact CB-CD2 4.46Å; I125-L149 HydrophobicContact CD1-CD1 4.26Å; I125-L149 HydrophobicContact CG2-CB 4.03Å; I125-L149 HydrophobicContact CG2-CD2 4.4Å; L149-N151 PolarHBondContact O-N 2.64Å; L149-V153 HydrophobicContact CD1-CG1 4.02Å |
| 150 | E | 97.4 | Very high | 96.5 | Very high | 101 Ų | 101 | 36.3 Ų | 36.3 | 47% | 0.472 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | -29.5 | 172.5 | -78.3 | -173.7 | 174.9 | 0 | 0 | 112.8 | K126 K128 | K126-E150 HydrophobicContact CB-CG 3.86Å; K126-E150 WeakPolarHBondContact CD-OE1 3.43Å; K126-E150 PolarHBondContact O-N 3.22Å; K128-E150 HydrophobicContact CB-CG 4.25Å |
| 151 | N | 95.9 | Very high | 96.8 | Very high | 100 Ų | 100 | 34 Ų | 34 | 54% | 0.535 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 131.1 | -179.2 | -66.6 | -87.7 | 0 | 0 | 0 | 109.8 | L149 | L149-N151 PolarHBondContact O-N 2.64Å |
| 152 | P | 96.8 | Very high | 96.9 | Very high | 75 Ų | 75 | 31.9 Ų | 31.9 | 49% | 0.487 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 138.5 | 173.5 | -20.9 | 31.2 | 0 | 0 | 0 | 112.3 | T83 D84 | T83-P152 CarbonylContact O-C 3.52Å; T83-P152 WeakPolarHBondContact O-CA 3.46Å; D84-P152 HydrophobicContact CB-CB 4.24Å; D84-P152 HydrophobicContact CB-CG 4.16Å |
| 153 | V | 97.2 | Very high | 97.1 | Very high | 10 Ų | 10 | 30.8 Ų | 30.8 | 6% | 0.061 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 122.4 | 173.7 | -62.7 | 0 | 0 | 0 | 0 | 110 | L74 S82 T83 V109 I125 L149 I159 | L74-V153 HydrophobicContact CD1-CG2 4.16Å; L74-V153 HydrophobicContact CD2-CG2 3.69Å; S82-V153 CarbonylContact C-O 3.59Å; S82-V153 WeakPolarHBondContact CA-O 3.13Å; S82-V153 WeakPolarHBondContact CB-O 3.45Å; T83-V153 HydrophobicContact CG2-CG2 4.11Å; T83-V153 PolarHBondContact N-O 3.44Å; T83-V153 VanDerWaalsContact N-O 3.09Å; T83-V153 WeakPolarHBondContact O-CG2 3.48Å; T83-V153 PolarHBondContact O-N 3.19Å; V109-V153 HydrophobicContact CG1-CG1 4.39Å; V109-V153 HydrophobicContact CG2-CG1 4.01Å; I125-V153 HydrophobicContact CD1-CG1 3.2Å; L149-V153 HydrophobicContact CD1-CG1 4.02Å; V153-I159 HydrophobicContact CB-CG2 4.1Å; V153-I159 HydrophobicContact CG2-CG2 3.79Å |
| 154 | K | 96.7 | Very high | 97.2 | Very high | 170 Ų | 170 | 32.6 Ų | 32.6 | 74% | 0.739 | 17% | 0.169 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 145.4 | 174.9 | -65.8 | -171.3 | 177.8 | -170.8 | 0 | 110.9 | E81 | E81-K154 WeakPolarHBondContact O-CA 3.41Å |
| 155 | Y | 96.2 | Very high | 97.2 | Very high | 21 Ų | 21 | 33 Ų | 33 | 8% | 0.082 | 17% | 0.172 | C | C | . | . | P | Polyproline II helix | trans | -74.2 | 143.5 | -178.5 | -55.7 | -21.4 | 0 | 0 | 0 | 112.2 | Q76 G80 E81 S82 T83 I159 P161 | Q76-Y155 PolarHBondContact OE1-OH 2.97Å; G80-Y155 VanDerWaalsContact O-CE2 3.25Å; G80-Y155 WeakPolarHBondContact O-CE2 3.49Å; E81-Y155 PolarHBondContact O-N 2.97Å; S82-Y155 VanDerWaalsContact C-CE1 3.48Å; S82-Y155 VanDerWaalsContact C-CZ 3.49Å; S82-Y155 VanDerWaalsContact CA-CE1 3.48Å; S82-Y155 PolarHBondContact O-OH 2.83Å; T83-Y155 WeakPolarHBondContact CB-OH 3.42Å; T83-Y155 HydrophobicContact CG2-CE1 4.04Å; Y155-I159 CarbonylContact C-O 3.53Å; Y155-I159 WeakPolarHBondContact CA-O 3.42Å; Y155-I159 WeakPolarHBondContact CB-O 3.19Å; Y155-P161 VanDerWaalsContact CE1-CD 3.49Å; Y155-P161 HydrophobicContact CE1-CG 4.06Å; Y155-P161 HydrophobicContact CE2-CG 4.1Å |
| 156 | S | 95.4 | Very high | 97.1 | Very high | 33 Ų | 33 | 41.4 Ų | 41.4 | 23% | 0.231 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -156.2 | 173.7 | -176.9 | 70.5 | 0 | 0 | 0 | 0 | 110.3 | Y19 S158 I159 V160 | Y19-S156 VanDerWaalsContact CZ-CA 3.47Å; Y19-S156 WeakPolarHBondContact OH-CA 3.43Å; S156-S158 PolarHBondContact O-N 2.87Å; S156-S158 PolarHBondContact OG-N 3.05Å; S156-S158 PolarHBondContact OG-OG 2.93Å; S156-I159 PolarHBondContact N-O 3.38Å; S156-I159 CarbonylContact O-C 3.59Å; S156-I159 PolarHBondContact O-N 2.8Å; S156-I159 VanDerWaalsContact O-O 3.05Å; S156-I159 PolarHBondContact OG-N 2.93Å; S156-V160 WeakPolarHBondContact O-CG2 3.29Å |
| 157 | D | 94.5 | Very high | 97.1 | Very high | 87 Ų | 87 | 44.4 Ų | 44.4 | 47% | 0.465 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -17.6 | 170.8 | -62.1 | -11.5 | 0 | 0 | 0 | 114.5 | Y19 V25 | Y19-D157 PolarHBondContact OH-N 3.4Å; Y19-D157 PolarHBondContact OH-OD1 3.49Å; V25-D157 HydrophobicContact CB-CB 4.4Å; V25-D157 HydrophobicContact CG1-CB 4.48Å; V25-D157 HydrophobicContact CG2-CB 4.43Å |
| 158 | S | 95.7 | Very high | 97 | Very high | 13 Ų | 13 | 48.9 Ų | 48.9 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -10.6 | 178.4 | 59.4 | 0 | 0 | 0 | 0 | 114.9 | N50 P53 S156 | N50-S158 WeakPolarHBondContact OD1-CB 3.48Å; P53-S158 WeakPolarHBondContact CB-O 3.4Å; S156-S158 PolarHBondContact O-N 2.87Å; S156-S158 PolarHBondContact OG-N 3.05Å; S156-S158 PolarHBondContact OG-OG 2.93Å |
| 159 | I | 96.8 | Very high | 96.9 | Very high | 14 Ų | 14 | 50.6 Ų | 50.6 | 7% | 0.072 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -140 | 105.4 | -172 | -61 | -179.3 | 0 | 0 | 0 | 108.7 | P53 L74 V109 V153 Y155 S156 | P53-I159 WeakPolarHBondContact O-CA 3.49Å; L74-I159 HydrophobicContact CD1-CG2 3.73Å; V109-I159 HydrophobicContact CG2-CD1 3.9Å; V153-I159 HydrophobicContact CB-CG2 4.1Å; V153-I159 HydrophobicContact CG2-CG2 3.79Å; Y155-I159 CarbonylContact C-O 3.53Å; Y155-I159 WeakPolarHBondContact CA-O 3.42Å; Y155-I159 WeakPolarHBondContact CB-O 3.19Å; S156-I159 PolarHBondContact N-O 3.38Å; S156-I159 CarbonylContact O-C 3.59Å; S156-I159 PolarHBondContact O-N 2.8Å; S156-I159 VanDerWaalsContact O-O 3.05Å; S156-I159 PolarHBondContact OG-N 2.93Å |
| 160 | V | 96.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -147.3 | 131.3 | 176.9 | -177.8 | 0 | 0 | 0 | 0 | 107.1 | Y19 E20 P53 W54 S156 | Y19-V160 HydrophobicContact CD1-CG2 3.69Å; Y19-V160 HydrophobicContact CE1-CG2 4.44Å; Y19-V160 HydrophobicContact CG-CG2 4.28Å; E20-V160 WeakPolarHBondContact O-CG1 3.47Å; P53-V160 CarbonylContact C-O 3.59Å; P53-V160 VanDerWaalsContact C-O 3.3Å; P53-V160 HydrophobicContact CB-CB 4.17Å; P53-V160 HydrophobicContact CB-CG2 4.31Å; P53-V160 HydrophobicContact CG-CB 3.81Å; P53-V160 HydrophobicContact CG-CG2 4.14Å; P53-V160 PolarHBondContact O-N 2.9Å; P53-V160 VanDerWaalsContact O-N 3.13Å; W54-V160 VanDerWaalsContact CA-O 3.23Å; W54-V160 WeakPolarHBondContact CA-O 3.42Å; W54-V160 VanDerWaalsContact CB-O 3.28Å; W54-V160 WeakPolarHBondContact CB-O 3.46Å; W54-V160 PolarHBondContact N-O 2.87Å; W54-V160 VanDerWaalsContact N-O 3.16Å; S156-V160 WeakPolarHBondContact O-CG2 3.29Å | ||
| 161 | P | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 155 | -179.6 | 31.2 | -37.8 | 0 | 0 | 0 | 110.9 | C21 G22 L74 Q76 Y155 | C21-P161 CarbonylContact C-O 3.4Å; C21-P161 VanDerWaalsContact CA-O 3.25Å; C21-P161 WeakPolarHBondContact CA-O 3.49Å; C21-P161 HydrophobicContact CB-CG 4.29Å; G22-P161 PolarHBondContact N-O 3.48Å; L74-P161 HydrophobicContact CB-CB 4.43Å; L74-P161 CarbonylContact O-C 3.54Å; L74-P161 VanDerWaalsContact O-CA 3.25Å; L74-P161 WeakPolarHBondContact O-CA 3.4Å; L74-P161 WeakPolarHBondContact O-CB 3.36Å; Q76-P161 HydrophobicContact CB-CB 4.49Å; Q76-P161 HydrophobicContact CB-CG 4.48Å; Q76-P161 HydrophobicContact CG-CB 4.34Å; Q76-P161 HydrophobicContact CG-CG 4.06Å; Y155-P161 VanDerWaalsContact CE1-CD 3.49Å; Y155-P161 HydrophobicContact CE1-CG 4.06Å; Y155-P161 HydrophobicContact CE2-CG 4.1Å |
| 162 | V | 98.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -77.1 | 154.7 | 168.8 | 71.9 | 0 | 0 | 0 | 0 | 109.8 | W54 L74 V75 V239 Q248 | W54-V162 HydrophobicContact CB-CB 3.9Å; W54-V162 HydrophobicContact CD2-CB 3.9Å; W54-V162 HydrophobicContact CD2-CG2 4.15Å; W54-V162 HydrophobicContact CE3-CB 4.33Å; W54-V162 HydrophobicContact CG-CB 3.7Å; W54-V162 HydrophobicContact CG-CG2 4.31Å; L74-V162 PolarHBondContact O-N 3.02Å; V75-V162 HydrophobicContact CG1-CG1 4.04Å; V162-V239 HydrophobicContact CG2-CG1 3.49Å; V162-V239 VanDerWaalsContact CG2-CG1 3.49Å; V162-Q248 HydrophobicContact CG1-CB 3.86Å; V162-Q248 HydrophobicContact CG2-CB 3.99Å |
| 163 | C | 98.2 | Very high | 96.4 | Very high | 7 Ų | 7 | 48.9 Ų | 48.9 | 5% | 0.047 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -75.4 | 139.9 | 168.5 | -62.8 | 0 | 0 | 0 | 0 | 111.2 | C21 K245 Y246 T247 Q248 | C21-C163 HydrophobicContact CB-CB 4.07Å; C21-C163 WeakPolarHBondContact CB-SG 3.42Å; C21-C163 PolarHBondContact O-SG 2.76Å; C21-C163 WeakPolarHBondContact SG-CA 3.13Å; C21-C163 WeakPolarHBondContact SG-CB 3.25Å; C21-C163 CovalentContact SG-SG 2.05Å; C21-C163 PolarHBondContact SG-SG 2.9Å; C163-K245 WeakPolarHBondContact SG-CE 3.49Å; C163-Y246 PolarHBondContact N-O 3.36Å; C163-T247 WeakPolarHBondContact O-CA 3.22Å; C163-Q248 PolarHBondContact O-N 3.17Å |
| 164 | L | 98.3 | Very high | 95.9 | Very high | 39 Ų | 39 | 53.9 Ų | 53.9 | 20% | 0.204 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -81.3 | 146 | 165.1 | -64.1 | 175.6 | 0 | 0 | 0 | 110.1 | V75 L270 I274 L277 | V75-L164 HydrophobicContact CB-CD2 4.23Å; V75-L164 HydrophobicContact CB-CG 4.48Å; V75-L164 HydrophobicContact CG1-CD2 3.84Å; L164-L270 HydrophobicContact CD2-CD2 4.05Å; L164-I274 HydrophobicContact CB-CD1 4.3Å; L164-L277 HydrophobicContact CD1-CD1 4.06Å; L164-L277 HydrophobicContact CD1-CD2 3.65Å; L164-L277 HydrophobicContact CD2-CD1 3.88Å |
| 165 | P | 97.9 | Very high | 95.5 | Very high | 7 Ų | 7 | 49.5 Ų | 49.5 | 5% | 0.045 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -75.2 | 166.3 | 171.9 | 31.9 | -32.9 | 0 | 0 | 0 | 109.8 | E169 T247 Q248 Y249 P271 I274 | P165-E169 HydrophobicContact CB-CB 4.3Å; P165-T247 HydrophobicContact CB-CG2 3.78Å; P165-T247 HydrophobicContact CG-CG2 4.4Å; P165-Q248 WeakPolarHBondContact CD-O 3.31Å; P165-Q248 WeakPolarHBondContact CG-O 3.02Å; P165-Y249 HydrophobicContact CB-CD1 4.12Å; P165-Y249 HydrophobicContact CB-CE1 3.76Å; P165-Y249 HydrophobicContact CG-CD1 4.46Å; P165-P271 HydrophobicContact CB-CG 4.05Å; P165-P271 HydrophobicContact CG-CB 4.35Å; P165-P271 HydrophobicContact CG-CG 3.75Å; P165-I274 HydrophobicContact CG-CD1 3.94Å; P165-I274 HydrophobicContact CG-CG1 4.4Å; P165-I274 WeakPolarHBondContact O-CG1 3.5Å |
| 166 | R | 97.4 | Very high | 95.1 | Very high | 178 Ų | 178 | 51.3 Ų | 51.3 | 67% | 0.672 | 25% | 0.251 | S | S | * | . | P | Polyproline II helix | trans | -71.8 | 154 | 171.9 | -62.6 | 172.3 | -72.3 | 170.8 | -2.4 | 110.4 | H168 E169 | R166-H168 PolarHBondContact O-N 3.1Å; R166-E169 HydrophobicContact CB-CB 4.15Å; R166-E169 WeakPolarHBondContact CB-OE2 3.41Å; R166-E169 IonicContact CZ-OE1 3.8Å; R166-E169 PolarHBondContact N-OE2 3.34Å; R166-E169 IonicContact NE-OE1 3.79Å; R166-E169 PolarHBondContact NE-OE1 3.29Å; R166-E169 IonicContact NE-OE2 3.24Å; R166-E169 PolarHBondContact NE-OE2 3.24Å; R166-E169 IonicContact NH2-OE1 3.27Å; R166-E169 PolarHBondContact NH2-OE1 3.2Å; R166-E169 WeakPolarHBondContact O-CB 3.49Å; R166-E169 PolarHBondContact O-N 3.28Å |
| 167 | T | 97.5 | Very high | 95.1 | Very high | 63 Ų | 63 | 49.7 Ų | 49.7 | 39% | 0.387 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 127.7 | 172 | -47.8 | 0 | 0 | 0 | 0 | 110.1 | E169 | T167-E169 PolarHBondContact O-N 3.2Š|
| 168 | H | 95.9 | Very high | 95.1 | Very high | 93 Ų | 93 | 45.8 Ų | 45.8 | 43% | 0.431 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 19 | -175.6 | -48.5 | -37.2 | 0 | 0 | 0 | 115.8 | R166 K170 P271 | R166-H168 PolarHBondContact O-N 3.1Å; H168-K170 PolarHBondContact O-N 3.31Å; H168-P271 PolarHBondContact N-O 2.99Å |
| 169 | E | 96.8 | Very high | 95 | Very high | 49 Ų | 49 | 45.1 Ų | 45.1 | 23% | 0.229 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -60.6 | 135.8 | 171.5 | -170.8 | 150.1 | -146.6 | 0 | 0 | 111.6 | P165 R166 T167 V171 Y249 P271 | P165-E169 HydrophobicContact CB-CB 4.3Å; R166-E169 HydrophobicContact CB-CB 4.15Å; R166-E169 WeakPolarHBondContact CB-OE2 3.41Å; R166-E169 IonicContact CZ-OE1 3.8Å; R166-E169 PolarHBondContact N-OE2 3.34Å; R166-E169 IonicContact NE-OE1 3.79Å; R166-E169 PolarHBondContact NE-OE1 3.29Å; R166-E169 IonicContact NE-OE2 3.24Å; R166-E169 PolarHBondContact NE-OE2 3.24Å; R166-E169 IonicContact NH2-OE1 3.27Å; R166-E169 PolarHBondContact NH2-OE1 3.2Å; R166-E169 WeakPolarHBondContact O-CB 3.49Å; R166-E169 PolarHBondContact O-N 3.28Å; T167-E169 PolarHBondContact O-N 3.2Å; E169-V171 PolarHBondContact O-N 3.31Å; E169-Y249 HydrophobicContact CG-CE1 4.15Å; E169-P271 HydrophobicContact CB-CB 4.41Å; E169-P271 WeakPolarHBondContact O-CB 3.49Å; E169-P271 VanDerWaalsContact O-CG 3.31Å; E169-P271 WeakPolarHBondContact O-CG 3.41Å |
| 170 | K | 95.5 | Very high | 94.8 | Very high | 166 Ų | 166 | 44.5 Ų | 44.5 | 72% | 0.722 | 21% | 0.211 | S | C | * | . | P | Polyproline II helix | trans | -66 | 123.7 | 178.8 | -176.1 | -178.3 | 176.8 | -174.8 | 0 | 109.4 | H168 | H168-K170 PolarHBondContact O-N 3.31Š|
| 171 | V | 95.4 | Very high | 94.7 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.03 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -59.6 | 123.9 | 170 | -179.2 | 0 | 0 | 0 | 0 | 108.7 | E169 V202 F218 Y249 R269 P271 | E169-V171 PolarHBondContact O-N 3.31Å; V171-V202 HydrophobicContact CG1-CB 4.35Å; V171-V202 HydrophobicContact CG1-CG1 3.79Å; V171-V202 HydrophobicContact CG1-CG2 3.87Å; V171-F218 HydrophobicContact CG1-CD2 4.29Å; V171-F218 HydrophobicContact CG1-CE1 4.38Å; V171-F218 HydrophobicContact CG1-CE2 4.05Å; V171-F218 HydrophobicContact CG1-CZ 4.08Å; V171-F218 HydrophobicContact CG2-CD1 4.26Å; V171-F218 HydrophobicContact CG2-CE1 4.24Å; V171-Y249 HydrophobicContact CB-CD1 4.34Å; V171-Y249 HydrophobicContact CG1-CD1 4.44Å; V171-Y249 HydrophobicContact CG1-CG 4.38Å; V171-Y249 HydrophobicContact CG2-CD1 4.12Å; V171-R269 HydrophobicContact CG2-CG 3.92Å; V171-P271 HydrophobicContact CG2-CG 4.14Å |
| 172 | P | 94.1 | Very high | 94.4 | Very high | 16 Ų | 16 | 44.8 Ų | 44.8 | 10% | 0.104 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -73.3 | 131.7 | -174.7 | 28.2 | -34.2 | 0 | 0 | 0 | 111.7 | K175 V202 C240 Y249 | P172-K175 HydrophobicContact CB-CB 3.87Å; P172-K175 HydrophobicContact CB-CG 3.54Å; P172-K175 HydrophobicContact CG-CB 4.11Å; P172-K175 HydrophobicContact CG-CG 4.11Å; P172-V202 WeakPolarHBondContact O-CB 3.33Å; P172-V202 WeakPolarHBondContact O-CG2 3.31Å; P172-C240 HydrophobicContact CG-CB 3.77Å; P172-Y249 HydrophobicContact CG-CD2 4Å; P172-Y249 HydrophobicContact CG-CE2 3.81Å; P172-Y249 HydrophobicContact CG-CG 4.47Å |
| 173 | T | 91.7 | Very high | 93.6 | Very high | 55 Ų | 55 | 44.8 Ų | 44.8 | 34% | 0.337 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -101.4 | -11.8 | 176 | 55.6 | 0 | 0 | 0 | 0 | 112.7 | V202 | T173-V202 HydrophobicContact CG2-CB 4.39Å; T173-V202 HydrophobicContact CG2-CG1 4.1Å |
| 174 | D | 88.2 | Confident | 92.4 | Very high | 114 Ų | 114 | 45 Ų | 45 | 61% | 0.61 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -105 | 2.4 | -177.4 | 68.8 | -55.6 | 0 | 0 | 0 | 113.1 | ||
| 175 | K | 88.7 | Confident | 90.7 | Very high | 78 Ų | 78 | 44 Ų | 44 | 34% | 0.339 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -106.7 | 150.5 | -178.2 | -60.6 | -60.3 | 178.7 | -126.3 | 0 | 111.4 | P172 C177 C240 | P172-K175 HydrophobicContact CB-CB 3.87Å; P172-K175 HydrophobicContact CB-CG 3.54Å; P172-K175 HydrophobicContact CG-CB 4.11Å; P172-K175 HydrophobicContact CG-CG 4.11Å; K175-C177 PolarHBondContact O-N 3.21Å; K175-C240 HydrophobicContact CB-CB 4.35Å |
| 176 | K | 87.8 | Confident | 88.6 | Confident | 59 Ų | 59 | 45.3 Ų | 45.3 | 26% | 0.257 | 22% | 0.219 | S | C | . | . | trans | -73.6 | 120.3 | 170.6 | -163.6 | 174.3 | -170.3 | -169.6 | 0 | 108.3 | E30 Y178 D199 E241 | E30-K176 VanDerWaalsContact CD-NZ 3.25Å; E30-K176 IonicContact OE2-NZ 2.7Å; E30-K176 PolarHBondContact OE2-NZ 2.05Å; K176-Y178 HydrophobicContact CD-CE2 4.34Å; K176-Y178 WeakPolarHBondContact CD-OH 3.49Å; K176-Y178 VanDerWaalsContact CE-OH 3.26Å; K176-Y178 WeakPolarHBondContact CE-OH 3.43Å; K176-Y178 HydrophobicContact CG-CE2 4.26Å; K176-Y178 PolarHBondContact NZ-OH 3.34Å; K176-Y178 VanDerWaalsContact NZ-OH 3.1Å; K176-D199 HydrophobicContact CG-CB 4.41Å; K176-E241 PolarHBondContact O-N 3.27Å | ||
| 177 | C | 94.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 151.9 | 175.9 | -50.8 | 0 | 0 | 0 | 0 | 109.9 | K175 D199 V200 L238 V239 C240 | K175-C177 PolarHBondContact O-N 3.21Å; C177-D199 CarbonylContact O-C 3.31Å; C177-D199 VanDerWaalsContact O-CA 3.28Å; C177-D199 WeakPolarHBondContact O-CA 3.25Å; C177-V200 HydrophobicContact CB-CG2 4.28Å; C177-V200 PolarHBondContact N-O 3.05Å; C177-V200 PolarHBondContact O-N 3.4Å; C177-L238 HydrophobicContact CB-CD2 3.75Å; C177-L238 HydrophobicContact CB-CG 4.2Å; C177-V239 CarbonylContact C-O 3.56Å; C177-V239 WeakPolarHBondContact CA-O 3.43Å; C177-V239 WeakPolarHBondContact CB-O 3.34Å; C177-C240 HydrophobicContact CB-CB 4.06Å; C177-C240 WeakPolarHBondContact CB-SG 3.23Å; C177-C240 WeakPolarHBondContact SG-CB 3.22Å; C177-C240 CovalentContact SG-SG 2.04Å; C177-C240 PolarHBondContact SG-SG 3.41Å |
| 178 | Y | 93.9 | Very high | 85.9 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 142.4 | 179.3 | -62.2 | -84.5 | 0 | 0 | 0 | 110.2 | I28 W45 F52 K176 V198 D199 L238 V239 Y246 | I28-Y178 HydrophobicContact CG2-CE1 4.33Å; I28-Y178 HydrophobicContact CG2-CE2 4.23Å; W45-Y178 HydrophobicContact CH2-CE1 4.22Å; W45-Y178 HydrophobicContact CZ2-CE1 4.13Å; F52-Y178 HydrophobicContact CE1-CG 4.44Å; F52-Y178 HydrophobicContact CZ-CG 4.26Å; K176-Y178 HydrophobicContact CD-CE2 4.34Å; K176-Y178 WeakPolarHBondContact CD-OH 3.49Å; K176-Y178 VanDerWaalsContact CE-OH 3.26Å; K176-Y178 WeakPolarHBondContact CE-OH 3.43Å; K176-Y178 HydrophobicContact CG-CE2 4.26Å; K176-Y178 PolarHBondContact NZ-OH 3.34Å; K176-Y178 VanDerWaalsContact NZ-OH 3.1Å; Y178-V198 VanDerWaalsContact CA-O 3.26Å; Y178-V198 WeakPolarHBondContact CA-O 3.46Å; Y178-D199 HydrophobicContact CD1-CB 4.09Å; Y178-D199 HydrophobicContact CE1-CB 3.95Å; Y178-L238 WeakPolarHBondContact O-CA 3.32Å; Y178-V239 PolarHBondContact N-O 2.82Å; Y178-V239 PolarHBondContact O-N 2.99Å; Y178-Y246 AromaticContact CD2-CE1 3.9Å; Y178-Y246 HydrophobicContact CD2-CE1 3.9Å; Y178-Y246 AromaticContact CE2-CE1 3.98Å; Y178-Y246 HydrophobicContact CE2-CE1 3.98Å |
| 179 | V | 93.7 | Very high | 85 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 139.4 | 167.7 | 179.3 | 0 | 0 | 0 | 0 | 108.3 | Q197 V198 V200 P237 L238 V252 Y267 | V179-Q197 WeakPolarHBondContact O-CA 3.48Å; V179-V198 HydrophobicContact CB-CG1 4.04Å; V179-V198 PolarHBondContact N-O 2.96Å; V179-V198 PolarHBondContact O-N 2.88Å; V179-V200 HydrophobicContact CG2-CG2 3.88Å; V179-P237 WeakPolarHBondContact CA-O 3.43Å; V179-L238 HydrophobicContact CG2-CB 3.97Å; V179-L238 HydrophobicContact CG2-CD1 4.02Å; V179-L238 HydrophobicContact CG2-CG 4Å; V179-V252 HydrophobicContact CG1-CG2 3.76Å; V179-Y267 HydrophobicContact CG2-CE1 3.73Å |
| 180 | T | 93.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 142.8 | -172.6 | 41.6 | 0 | 0 | 0 | 0 | 113.1 | F52 Q55 R196 Q197 P237 | F52-T180 HydrophobicContact CD1-CG2 3.6Å; F52-T180 HydrophobicContact CD2-CG2 3.75Å; F52-T180 HydrophobicContact CE1-CG2 3.51Å; F52-T180 HydrophobicContact CE2-CG2 3.66Å; F52-T180 HydrophobicContact CG-CG2 3.72Å; F52-T180 HydrophobicContact CZ-CG2 3.54Å; Q55-T180 PolarHBondContact NE2-O 2.96Å; Q55-T180 PolarHBondContact OE1-O 2.79Å; Q55-T180 PolarHBondContact OE1-OG1 3.45Å; T180-R196 VanDerWaalsContact CA-O 3.25Å; T180-R196 WeakPolarHBondContact CA-O 3.34Å; T180-R196 WeakPolarHBondContact CB-O 3.45Å; T180-R196 WeakPolarHBondContact CG2-O 3.49Å; T180-Q197 HydrophobicContact CG2-CB 3.61Å; T180-P237 WeakPolarHBondContact OG1-CG 3.47Å |
| 181 | G | 94.2 | Very high | 83.6 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.2 | -173.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R196 D233 | G181-R196 PolarHBondContact N-O 3.14Å; G181-R196 VanDerWaalsContact N-O 3.14Å; G181-R196 PolarHBondContact O-N 3.02Å; G181-D233 VanDerWaalsContact CA-OD1 3.23Å; G181-D233 WeakPolarHBondContact CA-OD1 3.33Å |
| 182 | W | 92.2 | Very high | 83.3 | Confident | 5 Ų | 5 | 36.7 Ų | 36.7 | 2% | 0.019 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -113.1 | 16.3 | -179.9 | -65.1 | -86.6 | 0 | 0 | 0 | 111.5 | Q55 R57 G111 H112 M114 P191 S192 L195 D233 | Q55-W182 HydrophobicContact CG-CH2 3.64Å; Q55-W182 HydrophobicContact CG-CZ3 3.6Å; R57-W182 HydrophobicContact CB-CE3 4.1Å; R57-W182 HydrophobicContact CB-CZ3 3.84Å; G111-W182 WeakPolarHBondContact O-CZ2 3.2Å; H112-W182 PolarHBondContact O-NE1 3.39Å; M114-W182 HydrophobicContact CE-CZ2 3.72Å; M114-W182 HydrophobicContact CG-CB 4.48Å; M114-W182 VanDerWaalsContact CG-CD1 3.46Å; M114-W182 HydrophobicContact CG-CD2 4.14Å; M114-W182 HydrophobicContact CG-CG 3.8Å; M114-W182 HydrophobicContact SD-CD2 4.27Å; M114-W182 HydrophobicContact SD-CZ2 4.35Å; W182-P191 WeakPolarHBondContact O-CB 3.42Å; W182-S192 WeakPolarHBondContact CB-O 3.44Å; W182-S192 PolarHBondContact O-N 3Å; W182-L195 HydrophobicContact CD2-CD1 3.99Å; W182-L195 HydrophobicContact CE3-CD1 4.18Å; W182-L195 HydrophobicContact CH2-CD1 4.01Å; W182-L195 HydrophobicContact CZ2-CB 3.94Å; W182-L195 HydrophobicContact CZ2-CD1 3.79Å; W182-L195 HydrophobicContact CZ2-CD2 4.41Å; W182-L195 HydrophobicContact CZ2-CG 4.25Å; W182-L195 HydrophobicContact CZ3-CD1 4.2Å; W182-L195 VanDerWaalsContact NE1-N 3.18Å; W182-D233 PolarHBondContact N-OD1 3.39Å |
| 183 | G | 81.4 | Confident | 83.3 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | trans | -62.8 | -179.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V185 S192 Q231 D233 | G183-V185 PolarHBondContact O-N 3.09Å; G183-S192 PolarHBondContact O-N 3.45Å; G183-Q231 CarbonylContact C-O 3.56Å; G183-Q231 WeakPolarHBondContact CA-O 3.26Å; G183-D233 VanDerWaalsContact CA-OD1 3.28Å; G183-D233 WeakPolarHBondContact CA-OD1 3.4Å; G183-D233 PolarHBondContact N-OD1 3.25Å | ||
| 184 | T | 72 | Confident | 83.4 | Confident | 13 Ų | 13 | 38.3 Ų | 38.3 | 8% | 0.08 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -62.5 | 129.9 | -177.1 | 54.2 | 0 | 0 | 0 | 0 | 110.2 | S186 G189 S190 P191 C230 Q231 | T184-S186 WeakPolarHBondContact CB-O 3.23Å; T184-S186 PolarHBondContact O-N 3.07Å; T184-G189 WeakPolarHBondContact CB-O 3.4Å; T184-G189 WeakPolarHBondContact CG2-O 3.38Å; T184-S190 WeakPolarHBondContact CA-O 3.43Å; T184-P191 HydrophobicContact CG2-CG 4.43Å; T184-C230 VanDerWaalsContact O-CB 3.27Å; T184-C230 WeakPolarHBondContact O-CB 3.48Å; T184-C230 PolarHBondContact OG1-SG 2.94Å; T184-Q231 HydrophobicContact CG2-CB 3.93Å; T184-Q231 PolarHBondContact N-O 3.47Å; T184-Q231 WeakPolarHBondContact OG1-CB 3.48Å; T184-Q231 PolarHBondContact OG1-N 3.01Å; T184-Q231 VanDerWaalsContact OG1-N 3.12Å; T184-Q231 PolarHBondContact OG1-O 2.7Å; T184-Q231 PolarHBondContact OG1-OE1 3.01Å |
| 185 | V | 61.7 | Low | 83.7 | Confident | 17 Ų | 17 | 33 Ų | 33 | 10% | 0.103 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -71.7 | -22.8 | -172.2 | -62.3 | 0 | 0 | 0 | 0 | 111.6 | R40 G183 S190 | R40-V185 CarbonylContact C-O 3.58Å; R40-V185 VanDerWaalsContact CA-O 3.24Å; R40-V185 WeakPolarHBondContact CA-O 3.18Å; R40-V185 HydrophobicContact CB-CB 3.76Å; R40-V185 HydrophobicContact CB-CG2 4.36Å; R40-V185 WeakPolarHBondContact CB-O 3.04Å; R40-V185 WeakPolarHBondContact CG-O 3.25Å; R40-V185 WeakPolarHBondContact O-CB 3.47Å; R40-V185 WeakPolarHBondContact O-CG1 3.42Å; G183-V185 PolarHBondContact O-N 3.09Å; V185-S190 PolarHBondContact N-O 3.41Å; V185-S190 VanDerWaalsContact N-O 3.17Å |
| 186 | S | 54.9 | Low | 83.9 | Confident | 34 Ų | 34 | 30.2 Ų | 30.2 | 24% | 0.238 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -143.3 | 160.4 | 169.1 | 44.1 | 0 | 0 | 0 | 0 | 108.7 | R40 T184 G188 G189 | R40-S186 PolarHBondContact NH1-OG 3.42Å; T184-S186 WeakPolarHBondContact CB-O 3.23Å; T184-S186 PolarHBondContact O-N 3.07Å; S186-G188 PolarHBondContact O-N 3.29Å; S186-G189 WeakPolarHBondContact O-CA 3.45Å; S186-G189 PolarHBondContact O-N 3.12Å |
| 187 | E | 70.3 | Confident | 84.1 | Confident | 82 Ų | 82 | 27.4 Ų | 27.4 | 38% | 0.383 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 125.3 | 173.7 | -165.2 | -174 | 136.3 | 0 | 0 | 110.8 | G189 G257 C258 R260 | E187-G189 PolarHBondContact O-N 3.48Å; E187-G189 VanDerWaalsContact O-N 3.16Å; E187-G257 VanDerWaalsContact CD-CA 3.49Å; E187-G257 WeakPolarHBondContact OE2-CA 3.44Å; E187-C258 HydrophobicContact CB-CB 4.29Å; E187-C258 PolarHBondContact OE2-N 2.86Å; E187-R260 IonicContact OE1-CZ 2.61Å; E187-R260 IonicContact OE1-NE 2.87Å; E187-R260 IonicContact OE1-NH2 3.82Å; E187-R260 PolarHBondContact OE1-NH2 2.73Å; E187-R260 IonicContact OE2-CZ 3.54Å; E187-R260 IonicContact OE2-NE 2.65Å; E187-R260 PolarHBondContact OE2-NE 2.6Å; E187-R260 IonicContact OE2-NH2 2.66Å; E187-R260 PolarHBondContact OE2-NH2 3.25Å |
| 188 | G | 67.7 | Low | 83.8 | Confident | 76 Ų | 76 | 27.4 Ų | 27.4 | 78% | 0.784 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 6.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | S186 | S186-G188 PolarHBondContact O-N 3.29Š|
| 189 | G | 76.5 | Confident | 83.6 | Confident | 24 Ų | 24 | 28.7 Ų | 28.7 | 25% | 0.247 | 20% | 0.196 | C | C | . | . | trans | -83.3 | -179.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | T184 S186 E187 | T184-G189 WeakPolarHBondContact CB-O 3.4Å; T184-G189 WeakPolarHBondContact CG2-O 3.38Å; S186-G189 WeakPolarHBondContact O-CA 3.45Å; S186-G189 PolarHBondContact O-N 3.12Å; E187-G189 PolarHBondContact O-N 3.48Å; E187-G189 VanDerWaalsContact O-N 3.16Å | ||
| 190 | S | 80.6 | Confident | 83.4 | Confident | 88 Ų | 88 | 29 Ų | 29 | 62% | 0.615 | 20% | 0.197 | S | C | * | . | P | Polyproline II helix | trans | -75 | 149.5 | 174.7 | -47.7 | 0 | 0 | 0 | 0 | 112.3 | T184 V185 | T184-S190 WeakPolarHBondContact CA-O 3.43Å; V185-S190 PolarHBondContact N-O 3.41Å; V185-S190 VanDerWaalsContact N-O 3.17Å |
| 191 | P | 83 | Confident | 83.2 | Confident | 84 Ų | 84 | 32.7 Ų | 32.7 | 55% | 0.545 | 22% | 0.22 | S | C | . | . | B | Isolated β-bridge | trans | -56.6 | 157.3 | 166.5 | -24.9 | 35.4 | 0 | 0 | 0 | 112.7 | W182 T184 | W182-P191 WeakPolarHBondContact O-CB 3.42Å; T184-P191 HydrophobicContact CG2-CG 4.43Å |
| 192 | S | 89.8 | Confident | 83 | Confident | 19 Ų | 19 | 32.9 Ų | 32.9 | 13% | 0.133 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -90.9 | 134.6 | 174.3 | -144.2 | 0 | 0 | 0 | 0 | 111.9 | W182 G183 R196 | W182-S192 WeakPolarHBondContact CB-O 3.44Å; W182-S192 PolarHBondContact O-N 3Å; G183-S192 PolarHBondContact O-N 3.45Å; S192-R196 WeakPolarHBondContact OG-CD 3.3Å; S192-R196 PolarHBondContact OG-NH1 3.24Å |
| 193 | A | 92.8 | Very high | 82.8 | Confident | 44 Ų | 44 | 33.6 Ų | 33.6 | 36% | 0.364 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -67.4 | -38.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | N113 M114 A115 | N113-A193 CarbonylContact C-O 3.57Å; N113-A193 WeakPolarHBondContact CA-O 3.43Å; M114-A193 PolarHBondContact N-O 3.46Å; A115-A193 HydrophobicContact CB-CB 3.96Å |
| 194 | L | 94.3 | Very high | 82.9 | Confident | 61 Ų | 61 | 37.5 Ų | 37.5 | 32% | 0.319 | 25% | 0.249 | S | C | . | . | B | Isolated β-bridge | trans | -91.4 | 143.1 | 179.5 | -57.5 | 179.2 | 0 | 0 | 0 | 110.9 | V46 H112 N113 R196 | V46-L194 HydrophobicContact CG1-CB 4.04Å; V46-L194 HydrophobicContact CG1-CD1 4Å; V46-L194 HydrophobicContact CG2-CD1 4.23Å; H112-L194 CarbonylContact O-C 3.6Å; H112-L194 WeakPolarHBondContact O-CA 3.48Å; N113-L194 HydrophobicContact CB-CD2 3.71Å; L194-R196 VanDerWaalsContact O-CG 3.26Å; L194-R196 WeakPolarHBondContact O-CG 3.14Å; L194-R196 PolarHBondContact O-N 2.91Å |
| 195 | L | 94.8 | Very high | 82.9 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | trans | -59.1 | 132.6 | 173.8 | -179.6 | 62.5 | 0 | 0 | 0 | 109.7 | A47 F52 Q55 H112 W182 | A47-L195 HydrophobicContact CB-CD2 4.36Å; A47-L195 HydrophobicContact CB-CG 4.16Å; A47-L195 PolarHBondContact N-O 2.92Å; F52-L195 HydrophobicContact CB-CD2 4.37Å; Q55-L195 HydrophobicContact CB-CD2 4.36Å; Q55-L195 HydrophobicContact CG-CD1 3.83Å; Q55-L195 HydrophobicContact CG-CD2 4.33Å; H112-L195 PolarHBondContact O-N 3.17Å; W182-L195 HydrophobicContact CD2-CD1 3.99Å; W182-L195 HydrophobicContact CE3-CD1 4.18Å; W182-L195 HydrophobicContact CH2-CD1 4.01Å; W182-L195 HydrophobicContact CZ2-CB 3.94Å; W182-L195 HydrophobicContact CZ2-CD1 3.79Å; W182-L195 HydrophobicContact CZ2-CD2 4.41Å; W182-L195 HydrophobicContact CZ2-CG 4.25Å; W182-L195 HydrophobicContact CZ3-CD1 4.2Å; W182-L195 VanDerWaalsContact NE1-N 3.18Å | ||
| 196 | R | 93.2 | Very high | 83.4 | Confident | 18 Ų | 18 | 44.2 Ų | 44.2 | 7% | 0.068 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 156.1 | -178.9 | -54 | -152 | 75.1 | 94.2 | -4.1 | 111.2 | N39 R40 I41 W45 V46 T180 G181 S192 L194 | N39-R196 PolarHBondContact O-NH2 3.21Å; R40-R196 WeakPolarHBondContact O-CD 3.5Å; R40-R196 PolarHBondContact O-NE 3.08Å; I41-R196 HydrophobicContact CB-CB 4.39Å; I41-R196 HydrophobicContact CD1-CB 3.65Å; I41-R196 HydrophobicContact CG1-CB 3.95Å; I41-R196 HydrophobicContact CG1-CG 4.49Å; W45-R196 VanDerWaalsContact O-CA 3.3Å; W45-R196 WeakPolarHBondContact O-CA 3.25Å; W45-R196 WeakPolarHBondContact O-CB 3.25Å; V46-R196 VanDerWaalsContact CG2-NH1 3.31Å; T180-R196 VanDerWaalsContact CA-O 3.25Å; T180-R196 WeakPolarHBondContact CA-O 3.34Å; T180-R196 WeakPolarHBondContact CB-O 3.45Å; T180-R196 WeakPolarHBondContact CG2-O 3.49Å; G181-R196 PolarHBondContact N-O 3.14Å; G181-R196 VanDerWaalsContact N-O 3.14Å; G181-R196 PolarHBondContact O-N 3.02Å; S192-R196 WeakPolarHBondContact OG-CD 3.3Å; S192-R196 PolarHBondContact OG-NH1 3.24Å; L194-R196 VanDerWaalsContact O-CG 3.26Å; L194-R196 WeakPolarHBondContact O-CG 3.14Å; L194-R196 PolarHBondContact O-N 2.91Å |
| 197 | Q | 91.9 | Very high | 84.3 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 149.4 | 173.6 | 63.3 | 176.7 | 107.9 | 0 | 0 | 110.8 | R29 G44 W45 A47 F52 V179 T180 | R29-Q197 PolarHBondContact O-NE2 3.49Å; G44-Q197 CarbonylContact C-O 3.57Å; G44-Q197 WeakPolarHBondContact CA-O 3.26Å; W45-Q197 HydrophobicContact CD2-CG 4.01Å; W45-Q197 VanDerWaalsContact CE2-CG 3.49Å; W45-Q197 HydrophobicContact CG-CG 4.19Å; W45-Q197 HydrophobicContact CZ2-CG 3.85Å; W45-Q197 PolarHBondContact N-O 3.19Å; W45-Q197 PolarHBondContact O-N 2.92Å; A47-Q197 HydrophobicContact CB-CB 4.24Å; A47-Q197 HydrophobicContact CB-CG 4.11Å; F52-Q197 HydrophobicContact CE2-CB 3.9Å; F52-Q197 HydrophobicContact CE2-CG 4.37Å; F52-Q197 HydrophobicContact CZ-CB 4.01Å; V179-Q197 WeakPolarHBondContact O-CA 3.48Å; T180-Q197 HydrophobicContact CG2-CB 3.61Å |
| 198 | V | 88.1 | Confident | 84.9 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 138.9 | 167.3 | 62.5 | 0 | 0 | 0 | 0 | 109 | I41 Y178 V179 V200 K227 | I41-V198 HydrophobicContact CG2-CB 4.04Å; I41-V198 HydrophobicContact CG2-CG1 3.89Å; Y178-V198 VanDerWaalsContact CA-O 3.26Å; Y178-V198 WeakPolarHBondContact CA-O 3.46Å; V179-V198 HydrophobicContact CB-CG1 4.04Å; V179-V198 PolarHBondContact N-O 2.96Å; V179-V198 PolarHBondContact O-N 2.88Å; V198-V200 HydrophobicContact CG1-CG1 4.17Å; V198-V200 HydrophobicContact CG2-CG1 4.44Å; V198-K227 HydrophobicContact CG2-CB 3.9Å; V198-K227 HydrophobicContact CG2-CD 3.92Å; V198-K227 HydrophobicContact CG2-CG 3.98Å |
| 199 | D | 89 | Confident | 85.4 | Confident | 32 Ų | 32 | 41.2 Ų | 41.2 | 17% | 0.171 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 130.9 | 167.4 | 59.3 | -54.8 | 0 | 0 | 0 | 110.6 | W45 K176 C177 Y178 K227 | W45-D199 HydrophobicContact CH2-CB 4.06Å; W45-D199 WeakPolarHBondContact CH2-OD1 3.49Å; W45-D199 WeakPolarHBondContact CZ3-OD1 3.47Å; K176-D199 HydrophobicContact CG-CB 4.41Å; C177-D199 CarbonylContact O-C 3.31Å; C177-D199 VanDerWaalsContact O-CA 3.28Å; C177-D199 WeakPolarHBondContact O-CA 3.25Å; Y178-D199 HydrophobicContact CD1-CB 4.09Å; Y178-D199 HydrophobicContact CE1-CB 3.95Å; D199-K227 WeakPolarHBondContact O-CD 3.49Å; D199-K227 IonicContact OD1-NZ 2.68Å; D199-K227 PolarHBondContact OD1-NZ 3.32Å; D199-K227 IonicContact OD2-NZ 3.35Å; D199-K227 PolarHBondContact OD2-NZ 2.7Å |
| 200 | V | 89 | Confident | 85.3 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.03 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 154.1 | 179 | -65.4 | 0 | 0 | 0 | 0 | 110.5 | C177 V179 V198 A220 L238 | C177-V200 HydrophobicContact CB-CG2 4.28Å; C177-V200 PolarHBondContact N-O 3.05Å; C177-V200 PolarHBondContact O-N 3.4Å; V179-V200 HydrophobicContact CG2-CG2 3.88Å; V198-V200 HydrophobicContact CG1-CG1 4.17Å; V198-V200 HydrophobicContact CG2-CG1 4.44Å; V200-A220 HydrophobicContact CB-CB 4.36Å; V200-A220 HydrophobicContact CG2-CB 4.07Å; V200-L238 HydrophobicContact CG2-CD1 3.81Å; V200-L238 HydrophobicContact CG2-CG 4.36Å |
| 201 | T | 88.9 | Confident | 85 | Confident | 78 Ų | 78 | 54.8 Ų | 54.8 | 48% | 0.479 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 135.9 | 170.8 | -55.2 | 0 | 0 | 0 | 0 | 108.8 | L203 A220 G221 | T201-L203 PolarHBondContact O-N 3.12Å; T201-A220 VanDerWaalsContact O-CA 3.26Å; T201-A220 WeakPolarHBondContact O-CA 3.45Å; T201-A220 WeakPolarHBondContact O-CB 3.36Å; T201-G221 PolarHBondContact N-O 3.02Å; T201-G221 VanDerWaalsContact N-O 3.13Å; T201-G221 PolarHBondContact O-N 2.85Å |
| 202 | V | 91.4 | Very high | 85 | Confident | 6 Ų | 6 | 51.4 Ų | 51.4 | 4% | 0.036 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 124 | 171 | 176.8 | 0 | 0 | 0 | 0 | 108.8 | V171 P172 T173 F218 A220 L238 | V171-V202 HydrophobicContact CG1-CB 4.35Å; V171-V202 HydrophobicContact CG1-CG1 3.79Å; V171-V202 HydrophobicContact CG1-CG2 3.87Å; P172-V202 WeakPolarHBondContact O-CB 3.33Å; P172-V202 WeakPolarHBondContact O-CG2 3.31Å; T173-V202 HydrophobicContact CG2-CB 4.39Å; T173-V202 HydrophobicContact CG2-CG1 4.1Å; V202-F218 HydrophobicContact CG1-CD2 3.75Å; V202-F218 HydrophobicContact CG1-CE2 4.17Å; V202-F218 HydrophobicContact CG2-CD2 4.35Å; V202-F218 HydrophobicContact CG2-CE2 3.93Å; V202-A220 HydrophobicContact CG2-CB 4.36Å; V202-L238 HydrophobicContact CG2-CD2 4.41Å |
| 203 | L | 88.1 | Confident | 85 | Confident | 20 Ų | 20 | 53.2 Ų | 53.2 | 11% | 0.105 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -82 | 148.7 | -176.5 | -58 | -178.9 | 0 | 0 | 0 | 111.1 | T201 L207 C219 E223 P264 | T201-L203 PolarHBondContact O-N 3.12Å; L203-L207 HydrophobicContact CB-CB 4.16Å; L203-L207 HydrophobicContact CD1-CB 4.35Å; L203-C219 HydrophobicContact CB-CB 4.38Å; L203-C219 HydrophobicContact CD1-CB 4.21Å; L203-C219 PolarHBondContact N-O 2.92Å; L203-E223 HydrophobicContact CD2-CG 4.29Å; L203-P264 HydrophobicContact CD1-CB 3.63Å; L203-P264 HydrophobicContact CD1-CG 3.74Å |
| 204 | T | 82.1 | Confident | 84.8 | Confident | 83 Ų | 83 | 53.2 Ų | 53.2 | 51% | 0.509 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 152.5 | 170.8 | 56.2 | 0 | 0 | 0 | 0 | 110.4 | G206 L207 | T204-G206 PolarHBondContact O-N 2.95Å; T204-L207 PolarHBondContact O-N 3.13Å |
| 205 | T | 73.5 | Confident | 84.6 | Confident | 94 Ų | 94 | 54.8 Ų | 54.8 | 58% | 0.577 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -45.3 | -40 | -171.9 | -47.4 | 0 | 0 | 0 | 0 | 114.8 | L207 C208 Q214 | T205-L207 PolarHBondContact O-N 2.98Å; T205-C208 PolarHBondContact O-N 2.86Å; T205-Q214 HydrophobicContact CG2-CB 3.99Å; T205-Q214 HydrophobicContact CG2-CG 3.58Å |
| 206 | G | 71.6 | Confident | 84.6 | Confident | 76 Ų | 76 | 56.4 Ų | 56.4 | 78% | 0.784 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -71 | -10.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | T204 | T204-G206 PolarHBondContact O-N 2.95Š|
| 207 | L | 74.6 | Confident | 84.7 | Confident | 78 Ų | 78 | 55.6 Ų | 55.6 | 41% | 0.408 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -106.5 | 0.3 | 179.5 | -62 | 170.9 | 0 | 0 | 0 | 112.9 | L203 T204 T205 E223 | L203-L207 HydrophobicContact CB-CB 4.16Å; L203-L207 HydrophobicContact CD1-CB 4.35Å; T204-L207 PolarHBondContact O-N 3.13Å; T205-L207 PolarHBondContact O-N 2.98Å; L207-E223 HydrophobicContact CD1-CG 4.33Å; L207-E223 WeakPolarHBondContact CD1-OE1 3.42Å |
| 208 | C | 82.1 | Confident | 84.8 | Confident | 10 Ų | 10 | 55.7 Ų | 55.7 | 7% | 0.068 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -88.8 | 165.5 | 176.4 | -163.9 | 0 | 0 | 0 | 0 | 111.1 | T205 K210 Q214 C219 | T205-C208 PolarHBondContact O-N 2.86Å; C208-K210 PolarHBondContact O-N 3.21Å; C208-K210 VanDerWaalsContact O-N 3.14Å; C208-Q214 PolarHBondContact SG-NE2 2.87Å; C208-C219 WeakPolarHBondContact CA-SG 3.26Å; C208-C219 HydrophobicContact CB-CB 3.64Å; C208-C219 WeakPolarHBondContact CB-SG 3.32Å; C208-C219 WeakPolarHBondContact SG-CB 3.47Å; C208-C219 PolarHBondContact SG-N 3.26Å; C208-C219 VanDerWaalsContact SG-N 3.36Å; C208-C219 CovalentContact SG-SG 2.03Å; C208-C219 PolarHBondContact SG-SG 2.76Å |
| 209 | V | 77.4 | Confident | 85 | Confident | 42 Ų | 42 | 55.7 Ų | 55.7 | 26% | 0.255 | 31% | 0.31 | S | S | . | . | trans | -60.3 | 117.9 | 178 | 177.4 | 0 | 0 | 0 | 0 | 109.1 | E211 T212 V266 | V209-E211 PolarHBondContact O-N 3Å; V209-T212 HydrophobicContact CB-CG2 3.83Å; V209-T212 HydrophobicContact CG1-CG2 4.03Å; V209-T212 WeakPolarHBondContact O-CB 3.37Å; V209-T212 PolarHBondContact O-N 2.95Å; V209-T212 PolarHBondContact O-OG1 2.88Å; V209-V266 HydrophobicContact CG2-CG2 4.36Å | ||
| 210 | K | 74.3 | Confident | 85 | Confident | 211 Ų | 211 | 54.2 Ų | 54.2 | 92% | 0.917 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -29.1 | -166.7 | -69.1 | -176.1 | 178.5 | 179.1 | 0 | 115.4 | C208 T212 | C208-K210 PolarHBondContact O-N 3.21Å; C208-K210 VanDerWaalsContact O-N 3.14Å; K210-T212 VanDerWaalsContact C-N 3.35Å |
| 211 | E | 75.5 | Confident | 84.7 | Confident | 186 Ų | 186 | 54 Ų | 54 | 87% | 0.869 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -10.3 | -177 | -65.2 | 170.4 | 179.5 | 0 | 0 | 112.7 | V209 | V209-E211 PolarHBondContact O-N 3Š|
| 212 | T | 82.9 | Confident | 84.1 | Confident | 12 Ų | 12 | 56.1 Ų | 56.1 | 7% | 0.074 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -81.4 | 130.5 | -177.3 | 60.5 | 0 | 0 | 0 | 0 | 111.7 | V209 K210 Q214 F254 V266 | V209-T212 HydrophobicContact CB-CG2 3.83Å; V209-T212 HydrophobicContact CG1-CG2 4.03Å; V209-T212 WeakPolarHBondContact O-CB 3.37Å; V209-T212 PolarHBondContact O-N 2.95Å; V209-T212 PolarHBondContact O-OG1 2.88Å; K210-T212 VanDerWaalsContact C-N 3.35Å; T212-Q214 WeakPolarHBondContact O-CG 3.44Å; T212-Q214 PolarHBondContact O-N 3.06Å; T212-Q214 PolarHBondContact O-NE2 3.11Å; T212-Q214 VanDerWaalsContact O-NE2 3.14Å; T212-Q214 PolarHBondContact OG1-NE2 2.61Å; T212-F254 HydrophobicContact CG2-CE2 4.32Å; T212-F254 HydrophobicContact CG2-CZ 3.73Å; T212-V266 HydrophobicContact CG2-CG1 4.38Å |
| 213 | N | 89.8 | Confident | 82.7 | Confident | 57 Ų | 57 | 61.4 Ų | 61.4 | 31% | 0.305 | 33% | 0.328 | S | S | . | . | trans | -61.8 | 100.2 | 175 | -175.1 | -13.5 | 0 | 0 | 0 | 111.2 | E141 D215 L216 M217 | E141-N213 HydrophobicContact CG-CB 4.45Å; E141-N213 WeakPolarHBondContact OE1-CB 3.39Å; E141-N213 PolarHBondContact OE1-ND2 2.9Å; N213-D215 PolarHBondContact O-N 2.98Å; N213-D215 WeakPolarHBondContact OD1-CB 3.21Å; N213-D215 PolarHBondContact OD1-N 3.14Å; N213-L216 PolarHBondContact O-N 2.86Å; N213-M217 HydrophobicContact CB-CE 4.02Å; N213-M217 PolarHBondContact O-N 2.96Å | ||
| 214 | Q | 88.1 | Confident | 81.6 | Confident | 44 Ų | 44 | 64 Ų | 64 | 21% | 0.206 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -18.5 | -176.2 | -62.9 | -64.4 | -60.6 | 0 | 0 | 113.2 | T205 C208 T212 M217 R269 | T205-Q214 HydrophobicContact CG2-CB 3.99Å; T205-Q214 HydrophobicContact CG2-CG 3.58Å; C208-Q214 PolarHBondContact SG-NE2 2.87Å; T212-Q214 WeakPolarHBondContact O-CG 3.44Å; T212-Q214 PolarHBondContact O-N 3.06Å; T212-Q214 PolarHBondContact O-NE2 3.11Å; T212-Q214 VanDerWaalsContact O-NE2 3.14Å; T212-Q214 PolarHBondContact OG1-NE2 2.61Å; Q214-M217 CarbonylContact C-O 3.5Å; Q214-R269 VanDerWaalsContact O-CZ 3.28Å; Q214-R269 PolarHBondContact O-NE 3.43Å; Q214-R269 PolarHBondContact O-NH2 3.01Å |
| 215 | D | 90.9 | Very high | 80.9 | Confident | 95 Ų | 95 | 60.4 Ų | 60.4 | 51% | 0.508 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -29.1 | 173.6 | -87.1 | -45.2 | 0 | 0 | 0 | 112.5 | N213 R269 R272 | N213-D215 PolarHBondContact O-N 2.98Å; N213-D215 WeakPolarHBondContact OD1-CB 3.21Å; N213-D215 PolarHBondContact OD1-N 3.14Å; D215-R269 WeakPolarHBondContact O-CD 3.3Å; D215-R272 VanDerWaalsContact CG-NH2 3.29Å; D215-R272 WeakPolarHBondContact O-CG 3.07Å; D215-R272 PolarHBondContact O-NE 2.95Å; D215-R272 IonicContact OD1-CZ 3.09Å; D215-R272 IonicContact OD1-NH2 3.33Å; D215-R272 PolarHBondContact OD1-NH2 2.83Å |
| 216 | L | 94.5 | Very high | 80.4 | Confident | 37 Ų | 37 | 57.5 Ų | 57.5 | 19% | 0.194 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -20 | -176 | -61.9 | -174.4 | 0 | 0 | 0 | 113.7 | E141 N213 R269 Y273 | E141-L216 HydrophobicContact CB-CD1 4.35Å; E141-L216 HydrophobicContact CG-CD1 4.13Å; N213-L216 PolarHBondContact O-N 2.86Å; L216-R269 WeakPolarHBondContact O-CB 3.1Å; L216-R269 PolarHBondContact O-N 2.92Å; L216-Y273 WeakPolarHBondContact CB-OH 3.48Å |
| 217 | M | 94.6 | Very high | 80.2 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 165.9 | -177.2 | -65.5 | 177.5 | -80.6 | 0 | 0 | 111.5 | E141 N213 Q214 F254 V266 Y267 R269 | E141-M217 HydrophobicContact CG-CE 3.93Å; N213-M217 HydrophobicContact CB-CE 4.02Å; N213-M217 PolarHBondContact O-N 2.96Å; Q214-M217 CarbonylContact C-O 3.5Å; M217-F254 HydrophobicContact SD-CE1 3.76Å; M217-F254 HydrophobicContact SD-CZ 4.27Å; M217-V266 HydrophobicContact CB-CG1 4.01Å; M217-V266 HydrophobicContact CG-CG1 4.41Å; M217-V266 HydrophobicContact SD-CG1 4.04Å; M217-Y267 CarbonylContact C-O 3.53Å; M217-Y267 VanDerWaalsContact CA-O 3.29Å; M217-Y267 WeakPolarHBondContact CA-O 3.38Å; M217-R269 PolarHBondContact O-NE 2.82Å; M217-R269 PolarHBondContact O-NH2 3.49Å |
| 218 | F | 93.9 | Very high | 79.9 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.009 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 161.5 | 169.4 | 68.1 | -85.4 | 0 | 0 | 0 | 111.1 | V171 V202 A220 L238 Y249 Y267 R269 | V171-F218 HydrophobicContact CG1-CD2 4.29Å; V171-F218 HydrophobicContact CG1-CE1 4.38Å; V171-F218 HydrophobicContact CG1-CE2 4.05Å; V171-F218 HydrophobicContact CG1-CZ 4.08Å; V171-F218 HydrophobicContact CG2-CD1 4.26Å; V171-F218 HydrophobicContact CG2-CE1 4.24Å; V202-F218 HydrophobicContact CG1-CD2 3.75Å; V202-F218 HydrophobicContact CG1-CE2 4.17Å; V202-F218 HydrophobicContact CG2-CD2 4.35Å; V202-F218 HydrophobicContact CG2-CE2 3.93Å; F218-A220 HydrophobicContact CE2-CB 4.36Å; F218-L238 HydrophobicContact CE2-CD1 3.97Å; F218-L238 HydrophobicContact CE2-CD2 4.32Å; F218-L238 HydrophobicContact CZ-CD1 4.31Å; F218-L238 HydrophobicContact CZ-CD2 4.21Å; F218-Y249 VanDerWaalsContact CE1-O 3.31Å; F218-Y249 WeakPolarHBondContact CE1-O 3.2Å; F218-Y267 HydrophobicContact CE2-CD2 4.3Å; F218-Y267 HydrophobicContact CE2-CG 4.23Å; F218-Y267 HydrophobicContact CZ-CG 4.26Å; F218-Y267 PolarHBondContact N-O 2.6Å; F218-Y267 PolarHBondContact O-N 3.02Å; F218-R269 HydrophobicContact CD1-CB 4.02Å; F218-R269 HydrophobicContact CD1-CG 4.28Å |
| 219 | C | 91.9 | Very high | 79.3 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 146.7 | 175.4 | -67.8 | 0 | 0 | 0 | 0 | 111.9 | L203 C208 P264 G265 | L203-C219 HydrophobicContact CB-CB 4.38Å; L203-C219 HydrophobicContact CD1-CB 4.21Å; L203-C219 PolarHBondContact N-O 2.92Å; C208-C219 WeakPolarHBondContact CA-SG 3.26Å; C208-C219 HydrophobicContact CB-CB 3.64Å; C208-C219 WeakPolarHBondContact CB-SG 3.32Å; C208-C219 WeakPolarHBondContact SG-CB 3.47Å; C208-C219 PolarHBondContact SG-N 3.26Å; C208-C219 VanDerWaalsContact SG-N 3.36Å; C208-C219 CovalentContact SG-SG 2.03Å; C208-C219 PolarHBondContact SG-SG 2.76Å; C219-P264 HydrophobicContact CB-CB 4.01Å; C219-P264 HydrophobicContact CB-CG 3.64Å; C219-G265 VanDerWaalsContact CA-O 3.3Å; C219-G265 WeakPolarHBondContact CA-O 3.38Å |
| 220 | A | 90 | Very high | 79.2 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 151 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V200 T201 V202 F218 L238 G265 Y267 | V200-A220 HydrophobicContact CB-CB 4.36Å; V200-A220 HydrophobicContact CG2-CB 4.07Å; T201-A220 VanDerWaalsContact O-CA 3.26Å; T201-A220 WeakPolarHBondContact O-CA 3.45Å; T201-A220 WeakPolarHBondContact O-CB 3.36Å; V202-A220 HydrophobicContact CG2-CB 4.36Å; F218-A220 HydrophobicContact CE2-CB 4.36Å; A220-L238 HydrophobicContact CB-CD1 3.47Å; A220-L238 VanDerWaalsContact CB-CD1 3.47Å; A220-G265 PolarHBondContact N-O 2.87Å; A220-G265 VanDerWaalsContact N-O 3.11Å; A220-G265 PolarHBondContact O-N 3.15Å; A220-Y267 HydrophobicContact CB-CD2 4Å; A220-Y267 HydrophobicContact CB-CE2 3.6Å |
| 221 | G | 83.6 | Confident | 78.9 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 159.6 | -144.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | T201 K227 | T201-G221 PolarHBondContact N-O 3.02Å; T201-G221 VanDerWaalsContact N-O 3.13Å; T201-G221 PolarHBondContact O-N 2.85Å; G221-K227 WeakPolarHBondContact CA-O 3.32Å |
| 222 | K | 74.7 | Confident | 78.6 | Confident | 122 Ų | 122 | 36.8 Ų | 36.8 | 53% | 0.53 | 21% | 0.209 | S | C | . | . | trans | -131.1 | 130.6 | 169.1 | -172.2 | -177 | -176.5 | -172.8 | 0 | 108.7 | A224 G225 K227 | K222-A224 VanDerWaalsContact C-N 3.28Å; K222-A224 PolarHBondContact O-N 3.16Å; K222-G225 WeakPolarHBondContact O-CA 2.94Å; K222-G225 PolarHBondContact O-N 2.8Å; K222-K227 HydrophobicContact CB-CB 4.16Å | ||
| 223 | E | 63.5 | Low | 78.6 | Confident | 116 Ų | 116 | 36.2 Ų | 36.2 | 54% | 0.542 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -44.7 | -178 | -64.6 | 173.4 | -176.7 | 0 | 0 | 112.8 | L203 L207 G225 D262 | L203-E223 HydrophobicContact CD2-CG 4.29Å; L207-E223 HydrophobicContact CD1-CG 4.33Å; L207-E223 WeakPolarHBondContact CD1-OE1 3.42Å; E223-G225 PolarHBondContact O-N 3.29Å; E223-D262 PolarHBondContact O-N 3.3Å |
| 224 | A | 63.3 | Low | 78.7 | Confident | 75 Ų | 75 | 34.5 Ų | 34.5 | 62% | 0.62 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 2.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | K222 | K222-A224 VanDerWaalsContact C-N 3.28Å; K222-A224 PolarHBondContact O-N 3.16Å |
| 225 | G | 67.3 | Low | 79.1 | Confident | 8 Ų | 8 | 32.4 Ų | 32.4 | 8% | 0.082 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 69.8 | -168.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | K222 E223 K227 A259 | K222-G225 WeakPolarHBondContact O-CA 2.94Å; K222-G225 PolarHBondContact O-N 2.8Å; E223-G225 PolarHBondContact O-N 3.29Å; G225-K227 VanDerWaalsContact C-N 3.28Å; G225-K227 PolarHBondContact O-N 3.5Å; G225-A259 WeakPolarHBondContact CA-O 3.24Å |
| 226 | G | 64.9 | Low | 79.4 | Confident | 33 Ų | 33 | 27.9 Ų | 27.9 | 34% | 0.34 | 16% | 0.164 | S | C | . | . | S | Bend | trans | 75.7 | 1.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | V42 G43 A259 | V42-G226 CarbonylContact C-O 3.6Å; G43-G226 WeakPolarHBondContact CA-O 3.44Å; G43-G226 PolarHBondContact N-O 3.32Å; G43-G226 VanDerWaalsContact N-O 3.1Å; G226-A259 PolarHBondContact N-O 2.92Å |
| 227 | K | 66.7 | Low | 79.5 | Confident | 38 Ų | 38 | 26.1 Ų | 26.1 | 17% | 0.165 | 16% | 0.155 | C | C | . | . | trans | -136.9 | 117.1 | 165.4 | -68.7 | -161.4 | -176 | -173.5 | 0 | 112 | V42 V198 D199 G221 K222 G225 | V42-K227 WeakPolarHBondContact O-CA 3.29Å; V198-K227 HydrophobicContact CG2-CB 3.9Å; V198-K227 HydrophobicContact CG2-CD 3.92Å; V198-K227 HydrophobicContact CG2-CG 3.98Å; D199-K227 WeakPolarHBondContact O-CD 3.49Å; D199-K227 IonicContact OD1-NZ 2.68Å; D199-K227 PolarHBondContact OD1-NZ 3.32Å; D199-K227 IonicContact OD2-NZ 3.35Å; D199-K227 PolarHBondContact OD2-NZ 2.7Å; G221-K227 WeakPolarHBondContact CA-O 3.32Å; K222-K227 HydrophobicContact CB-CB 4.16Å; G225-K227 VanDerWaalsContact C-N 3.28Å; G225-K227 PolarHBondContact O-N 3.5Å | ||
| 228 | D | 68.5 | Low | 79.6 | Confident | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.011 | 15% | 0.154 | C | C | . | . | trans | -168.8 | 164.1 | -179.3 | -161.9 | 4 | 0 | 0 | 0 | 111.7 | I41 A259 G265 | I41-D228 WeakPolarHBondContact CG2-O 3.49Å; D228-A259 VanDerWaalsContact CB-CA 3.44Å; D228-A259 HydrophobicContact CB-CB 3.42Å; D228-A259 VanDerWaalsContact CB-CB 3.42Å; D228-A259 VanDerWaalsContact CB-N 3.27Å; D228-A259 PolarHBondContact OD2-N 2.93Å; D228-G265 VanDerWaalsContact OD1-CA 3.32Å; D228-G265 WeakPolarHBondContact OD1-CA 3.25Å; D228-G265 PolarHBondContact OD1-N 3.47Å; D228-G265 PolarHBondContact OD2-N 2.88Å | ||
| 229 | S | 68.1 | Low | 79.8 | Confident | 10 Ų | 10 | 26 Ų | 26 | 7% | 0.07 | 15% | 0.154 | C | C | . | . | trans | -64.5 | 165.2 | 160.4 | 62.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 230 | C | 76.9 | Confident | 80 | Confident | 9 Ų | 9 | 26.1 Ų | 26.1 | 6% | 0.061 | 16% | 0.155 | C | C | . | . | trans | -147.8 | -172.7 | 174.8 | -153.9 | 0 | 0 | 0 | 0 | 112.9 | T184 G232 D233 C258 | T184-C230 VanDerWaalsContact O-CB 3.27Å; T184-C230 WeakPolarHBondContact O-CB 3.48Å; T184-C230 PolarHBondContact OG1-SG 2.94Å; C230-G232 PolarHBondContact O-N 3.5Å; C230-D233 PolarHBondContact N-OD2 3.13Å; C230-D233 WeakPolarHBondContact O-CB 3.19Å; C230-D233 PolarHBondContact O-N 2.92Å; C230-C258 WeakPolarHBondContact CA-SG 3.48Å; C230-C258 HydrophobicContact CB-CB 3.75Å; C230-C258 WeakPolarHBondContact CB-SG 3.07Å; C230-C258 WeakPolarHBondContact SG-CB 3.16Å; C230-C258 CovalentContact SG-SG 2.03Å; C230-C258 PolarHBondContact SG-SG 3.14Å | ||
| 231 | Q | 67.5 | Low | 80.2 | Confident | 85 Ų | 85 | 28.8 Ų | 28.8 | 40% | 0.397 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 128.9 | -171.5 | -64.9 | 83.6 | 33.2 | 0 | 0 | 111.7 | G183 T184 C258 | G183-Q231 CarbonylContact C-O 3.56Å; G183-Q231 WeakPolarHBondContact CA-O 3.26Å; T184-Q231 HydrophobicContact CG2-CB 3.93Å; T184-Q231 PolarHBondContact N-O 3.47Å; T184-Q231 WeakPolarHBondContact OG1-CB 3.48Å; T184-Q231 PolarHBondContact OG1-N 3.01Å; T184-Q231 VanDerWaalsContact OG1-N 3.12Å; T184-Q231 PolarHBondContact OG1-O 2.7Å; T184-Q231 PolarHBondContact OG1-OE1 3.01Å; Q231-C258 PolarHBondContact NE2-SG 3.28Å |
| 232 | G | 70.1 | Confident | 80.6 | Confident | 23 Ų | 23 | 32.5 Ų | 32.5 | 24% | 0.237 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.8 | -5.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115 | C230 | C230-G232 PolarHBondContact O-N 3.5Š|
| 233 | D | 82.8 | Confident | 81.3 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -85.7 | -10.6 | 163.7 | -58.2 | -41.2 | 0 | 0 | 0 | 112.2 | I41 G181 W182 G183 C230 G236 V252 | I41-D233 WeakPolarHBondContact CD1-OD2 3.3Å; G181-D233 VanDerWaalsContact CA-OD1 3.23Å; G181-D233 WeakPolarHBondContact CA-OD1 3.33Å; W182-D233 PolarHBondContact N-OD1 3.39Å; G183-D233 VanDerWaalsContact CA-OD1 3.28Å; G183-D233 WeakPolarHBondContact CA-OD1 3.4Å; G183-D233 PolarHBondContact N-OD1 3.25Å; C230-D233 PolarHBondContact N-OD2 3.13Å; C230-D233 WeakPolarHBondContact O-CB 3.19Å; C230-D233 PolarHBondContact O-N 2.92Å; D233-G236 WeakPolarHBondContact O-CA 3.47Å; D233-G236 PolarHBondContact O-N 2.98Å; D233-V252 WeakPolarHBondContact O-CB 3.42Å | ||
| 234 | S | 91.7 | Very high | 82.6 | Confident | 22 Ų | 22 | 26.2 Ų | 26.2 | 15% | 0.154 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -41.4 | 135.1 | 172.5 | -71.7 | 0 | 0 | 0 | 0 | 113 | C70 G71 H91 G236 | C70-S234 CarbonylContact C-O 3.56Å; C70-S234 WeakPolarHBondContact CA-O 3.31Å; C70-S234 VanDerWaalsContact CB-O 3.23Å; C70-S234 WeakPolarHBondContact CB-O 3.47Å; G71-S234 WeakPolarHBondContact CA-O 3.49Å; G71-S234 PolarHBondContact N-O 2.81Å; H91-S234 PolarHBondContact CE1-OG 2.77Å; H91-S234 WeakPolarHBondContact NE2-CB 3.23Å; H91-S234 PolarHBondContact NE2-OG 3.04Å; S234-G236 PolarHBondContact O-N 3.46Å |
| 235 | G | 95.8 | Very high | 84.1 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | -8.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | G71 G72 T88 A89 V252 | G71-G235 CarbonylContact O-C 3.54Å; G72-G235 WeakPolarHBondContact CA-O 3.45Å; T88-G235 WeakPolarHBondContact OG1-CA 3.48Å; A89-G235 VanDerWaalsContact N-CA 3.34Å; G235-V252 PolarHBondContact N-O 3.43Å |
| 236 | G | 96.3 | Very high | 85.6 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -70.1 | 167.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D233 S234 V251 V252 | D233-G236 WeakPolarHBondContact O-CA 3.47Å; D233-G236 PolarHBondContact O-N 2.98Å; S234-G236 PolarHBondContact O-N 3.46Å; G236-V251 WeakPolarHBondContact O-CA 3.38Å; G236-V252 WeakPolarHBondContact O-CG2 3.33Å; G236-V252 PolarHBondContact O-N 3.43Å | ||
| 237 | P | 97.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 147 | 179.1 | 22.3 | -25.5 | 0 | 0 | 0 | 113.6 | T73 V179 T180 V239 Q248 | T73-P237 HydrophobicContact CG2-CB 3.51Å; T73-P237 HydrophobicContact CG2-CG 3.65Å; V179-P237 WeakPolarHBondContact CA-O 3.43Å; T180-P237 WeakPolarHBondContact OG1-CG 3.47Å; P237-V239 HydrophobicContact CB-CG1 3.96Å; P237-Q248 HydrophobicContact CB-CG 4.39Å |
| 238 | L | 97 | Very high | 88.7 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 112.1 | 139.1 | -176.1 | 154 | 0 | 0 | 0 | 108.5 | C177 Y178 V179 V200 V202 F218 A220 C240 Q248 Y249 G250 Y267 | C177-L238 HydrophobicContact CB-CD2 3.75Å; C177-L238 HydrophobicContact CB-CG 4.2Å; Y178-L238 WeakPolarHBondContact O-CA 3.32Å; V179-L238 HydrophobicContact CG2-CB 3.97Å; V179-L238 HydrophobicContact CG2-CD1 4.02Å; V179-L238 HydrophobicContact CG2-CG 4Å; V200-L238 HydrophobicContact CG2-CD1 3.81Å; V200-L238 HydrophobicContact CG2-CG 4.36Å; V202-L238 HydrophobicContact CG2-CD2 4.41Å; F218-L238 HydrophobicContact CE2-CD1 3.97Å; F218-L238 HydrophobicContact CE2-CD2 4.32Å; F218-L238 HydrophobicContact CZ-CD1 4.31Å; F218-L238 HydrophobicContact CZ-CD2 4.21Å; A220-L238 HydrophobicContact CB-CD1 3.47Å; A220-L238 VanDerWaalsContact CB-CD1 3.47Å; L238-C240 VanDerWaalsContact CD2-SG 3.59Å; L238-Q248 CarbonylContact O-C 3.57Å; L238-Q248 WeakPolarHBondContact O-CA 2.97Å; L238-Y249 PolarHBondContact O-N 3.09Å; L238-G250 PolarHBondContact N-O 3.36Å; L238-G250 PolarHBondContact O-N 2.86Å; L238-Y267 HydrophobicContact CB-CD1 3.76Å; L238-Y267 HydrophobicContact CB-CE1 3.89Å; L238-Y267 HydrophobicContact CD1-CD1 3.81Å; L238-Y267 HydrophobicContact CD1-CD2 4.21Å; L238-Y267 HydrophobicContact CD1-CE1 3.65Å; L238-Y267 HydrophobicContact CD1-CE2 4.12Å; L238-Y267 HydrophobicContact CD1-CG 4.1Å; L238-Y267 HydrophobicContact CG-CD1 4.45Å; L238-Y267 HydrophobicContact CG-CE1 4.39Å |
| 239 | V | 97.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 135.8 | 177.9 | -75.2 | 0 | 0 | 0 | 0 | 111.6 | F52 W54 V162 C177 Y178 P237 Y246 T247 Q248 | F52-V239 HydrophobicContact CD1-CG2 4.46Å; F52-V239 HydrophobicContact CE1-CG2 4.15Å; W54-V239 HydrophobicContact CZ2-CG2 4.4Å; V162-V239 HydrophobicContact CG2-CG1 3.49Å; V162-V239 VanDerWaalsContact CG2-CG1 3.49Å; C177-V239 CarbonylContact C-O 3.56Å; C177-V239 WeakPolarHBondContact CA-O 3.43Å; C177-V239 WeakPolarHBondContact CB-O 3.34Å; Y178-V239 PolarHBondContact N-O 2.82Å; Y178-V239 PolarHBondContact O-N 2.99Å; P237-V239 HydrophobicContact CB-CG1 3.96Å; V239-Y246 HydrophobicContact CB-CD1 4.39Å; V239-Y246 HydrophobicContact CG2-CD1 4.15Å; V239-T247 CarbonylContact C-O 3.51Å; V239-T247 WeakPolarHBondContact CA-O 3.48Å; V239-Q248 HydrophobicContact CG1-CB 4.09Å |
| 240 | C | 96.8 | Very high | 91.5 | Very high | 3 Ų | 3 | 24.9 Ų | 24.9 | 2% | 0.02 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 140.1 | 174.5 | -54.4 | 0 | 0 | 0 | 0 | 110.7 | P172 K175 C177 L238 T247 Y249 | P172-C240 HydrophobicContact CG-CB 3.77Å; K175-C240 HydrophobicContact CB-CB 4.35Å; C177-C240 HydrophobicContact CB-CB 4.06Å; C177-C240 WeakPolarHBondContact CB-SG 3.23Å; C177-C240 WeakPolarHBondContact SG-CB 3.22Å; C177-C240 CovalentContact SG-SG 2.04Å; C177-C240 PolarHBondContact SG-SG 3.41Å; L238-C240 VanDerWaalsContact CD2-SG 3.59Å; C240-T247 PolarHBondContact N-O 3.06Å; C240-T247 PolarHBondContact O-N 2.7Å; C240-T247 VanDerWaalsContact O-N 3.07Å; C240-Y249 HydrophobicContact CB-CD2 3.74Å; C240-Y249 HydrophobicContact CB-CE2 4.03Å |
| 241 | E | 93.8 | Very high | 92.5 | Very high | 57 Ų | 57 | 24.4 Ų | 24.4 | 27% | 0.266 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 142.3 | -176.4 | -172.1 | -78.5 | 143.6 | 0 | 0 | 111.6 | K176 G243 G244 Y246 | K176-E241 PolarHBondContact O-N 3.27Å; E241-G243 PolarHBondContact OE1-N 3.07Å; E241-G244 PolarHBondContact OE1-N 2.83Å; E241-Y246 HydrophobicContact CB-CD1 4.13Å; E241-Y246 HydrophobicContact CB-CE1 3.69Å; E241-Y246 HydrophobicContact CG-CE1 3.86Å; E241-Y246 HydrophobicContact CG-CE2 4.11Å |
| 242 | S | 92.3 | Very high | 93.8 | Very high | 79 Ų | 79 | 20.6 Ų | 20.6 | 55% | 0.552 | 14% | 0.142 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 108.1 | 166.4 | -172.1 | 0 | 0 | 0 | 0 | 110.9 | K245 | S242-K245 PolarHBondContact N-O 3.32Å; S242-K245 PolarHBondContact O-N 3.36Å |
| 243 | G | 89.5 | Confident | 94.9 | Very high | 68 Ų | 68 | 19.7 Ų | 19.7 | 70% | 0.701 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 37.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | E241 K245 | E241-G243 PolarHBondContact OE1-N 3.07Å; G243-K245 PolarHBondContact O-N 3.26Å |
| 244 | G | 91.2 | Very high | 95.2 | Very high | 38 Ų | 38 | 22.2 Ų | 22.2 | 39% | 0.392 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 12.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114 | E241 | E241-G244 PolarHBondContact OE1-N 2.83Š|
| 245 | K | 94.8 | Very high | 94.6 | Very high | 69 Ų | 69 | 22.9 Ų | 22.9 | 30% | 0.3 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 133.7 | 177.9 | -169.6 | 167.1 | -177.3 | 164.2 | 0 | 110 | E20 G22 R23 C163 S242 G243 | E20-K245 IonicContact OE2-NZ 3.97Å; G22-K245 CarbonylContact O-C 3.52Å; G22-K245 WeakPolarHBondContact O-CA 3.23Å; R23-K245 HydrophobicContact CG-CG 4.44Å; C163-K245 WeakPolarHBondContact SG-CE 3.49Å; S242-K245 PolarHBondContact N-O 3.32Å; S242-K245 PolarHBondContact O-N 3.36Å; G243-K245 PolarHBondContact O-N 3.26Å |
| 246 | Y | 97.6 | Very high | 93.5 | Very high | 19 Ų | 19 | 26.4 Ų | 26.4 | 8% | 0.075 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 125.9 | -173 | -68.5 | -98.5 | 0 | 0 | 0 | 110.8 | G22 P24 I28 W54 C163 Y178 V239 E241 | G22-Y246 VanDerWaalsContact CA-O 3.25Å; G22-Y246 WeakPolarHBondContact CA-O 3.15Å; G22-Y246 WeakPolarHBondContact O-CD2 3.08Å; G22-Y246 PolarHBondContact O-N 3.03Å; P24-Y246 HydrophobicContact CG-CD2 4.39Å; P24-Y246 HydrophobicContact CG-CE2 4.29Å; I28-Y246 HydrophobicContact CD1-CD1 4Å; I28-Y246 HydrophobicContact CD1-CD2 4.26Å; I28-Y246 HydrophobicContact CD1-CE1 3.53Å; I28-Y246 HydrophobicContact CD1-CE2 3.85Å; I28-Y246 HydrophobicContact CD1-CG 4.35Å; I28-Y246 VanDerWaalsContact CD1-CZ 3.47Å; W54-Y246 HydrophobicContact CH2-CD1 4.47Å; W54-Y246 AromaticContact CH2-CD2 3.9Å; W54-Y246 HydrophobicContact CH2-CD2 3.9Å; W54-Y246 AromaticContact CH2-CG 3.73Å; W54-Y246 HydrophobicContact CH2-CG 3.73Å; W54-Y246 HydrophobicContact CZ2-CD1 4.38Å; W54-Y246 HydrophobicContact CZ2-CG 4.02Å; C163-Y246 PolarHBondContact N-O 3.36Å; Y178-Y246 AromaticContact CD2-CE1 3.9Å; Y178-Y246 HydrophobicContact CD2-CE1 3.9Å; Y178-Y246 AromaticContact CE2-CE1 3.98Å; Y178-Y246 HydrophobicContact CE2-CE1 3.98Å; V239-Y246 HydrophobicContact CB-CD1 4.39Å; V239-Y246 HydrophobicContact CG2-CD1 4.15Å; E241-Y246 HydrophobicContact CB-CD1 4.13Å; E241-Y246 HydrophobicContact CB-CE1 3.69Å; E241-Y246 HydrophobicContact CG-CE1 3.86Å; E241-Y246 HydrophobicContact CG-CE2 4.11Å |
| 247 | T | 98.3 | Very high | 92.1 | Very high | 26 Ų | 26 | 27.3 Ų | 27.3 | 16% | 0.16 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 131.6 | 178.2 | -59.9 | 0 | 0 | 0 | 0 | 109.4 | C163 P165 V239 C240 Y249 | C163-T247 WeakPolarHBondContact O-CA 3.22Å; P165-T247 HydrophobicContact CB-CG2 3.78Å; P165-T247 HydrophobicContact CG-CG2 4.4Å; V239-T247 CarbonylContact C-O 3.51Å; V239-T247 WeakPolarHBondContact CA-O 3.48Å; C240-T247 PolarHBondContact N-O 3.06Å; C240-T247 PolarHBondContact O-N 2.7Å; C240-T247 VanDerWaalsContact O-N 3.07Å; T247-Y249 HydrophobicContact CG2-CD2 4.26Å; T247-Y249 HydrophobicContact CG2-CE2 3.76Å; T247-Y249 WeakPolarHBondContact O-CD2 3.28Å; T247-Y249 PolarHBondContact O-N 2.78Å |
| 248 | Q | 98.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 115.1 | 178.1 | -175.2 | 176.9 | 2.4 | 0 | 0 | 110.2 | T73 V162 C163 P165 P237 L238 V239 G250 L270 | T73-Q248 PolarHBondContact OG1-NE2 2.94Å; T73-Q248 PolarHBondContact OG1-OE1 2.97Å; T73-Q248 VanDerWaalsContact OG1-OE1 3.12Å; V162-Q248 HydrophobicContact CG1-CB 3.86Å; V162-Q248 HydrophobicContact CG2-CB 3.99Å; C163-Q248 PolarHBondContact O-N 3.17Å; P165-Q248 WeakPolarHBondContact CD-O 3.31Å; P165-Q248 WeakPolarHBondContact CG-O 3.02Å; P237-Q248 HydrophobicContact CB-CG 4.39Å; L238-Q248 CarbonylContact O-C 3.57Å; L238-Q248 WeakPolarHBondContact O-CA 2.97Å; V239-Q248 HydrophobicContact CG1-CB 4.09Å; Q248-G250 VanDerWaalsContact CG-O 3.25Å; Q248-G250 WeakPolarHBondContact CG-O 3.32Å; Q248-G250 PolarHBondContact NE2-O 3.47Å; Q248-L270 HydrophobicContact CB-CD2 4.16Å; Q248-L270 HydrophobicContact CG-CD2 3.81Å |
| 249 | Y | 98.3 | Very high | 89.2 | Confident | 24 Ų | 24 | 28.3 Ų | 28.3 | 9% | 0.094 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | -21.1 | 176.2 | -76.9 | -82.6 | 0 | 0 | 0 | 113.1 | P165 E169 V171 P172 F218 L238 C240 T247 L270 P271 | P165-Y249 HydrophobicContact CB-CD1 4.12Å; P165-Y249 HydrophobicContact CB-CE1 3.76Å; P165-Y249 HydrophobicContact CG-CD1 4.46Å; E169-Y249 HydrophobicContact CG-CE1 4.15Å; V171-Y249 HydrophobicContact CB-CD1 4.34Å; V171-Y249 HydrophobicContact CG1-CD1 4.44Å; V171-Y249 HydrophobicContact CG1-CG 4.38Å; V171-Y249 HydrophobicContact CG2-CD1 4.12Å; P172-Y249 HydrophobicContact CG-CD2 4Å; P172-Y249 HydrophobicContact CG-CE2 3.81Å; P172-Y249 HydrophobicContact CG-CG 4.47Å; F218-Y249 VanDerWaalsContact CE1-O 3.31Å; F218-Y249 WeakPolarHBondContact CE1-O 3.2Å; L238-Y249 PolarHBondContact O-N 3.09Å; C240-Y249 HydrophobicContact CB-CD2 3.74Å; C240-Y249 HydrophobicContact CB-CE2 4.03Å; T247-Y249 HydrophobicContact CG2-CD2 4.26Å; T247-Y249 HydrophobicContact CG2-CE2 3.76Å; T247-Y249 WeakPolarHBondContact O-CD2 3.28Å; T247-Y249 PolarHBondContact O-N 2.78Å; Y249-L270 WeakPolarHBondContact O-CB 3.4Å; Y249-L270 PolarHBondContact O-N 2.75Å; Y249-P271 HydrophobicContact CD1-CG 3.81Å; Y249-P271 HydrophobicContact CE1-CG 4.29Å |
| 250 | G | 97.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 157.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L238 Q248 V268 | L238-G250 PolarHBondContact N-O 3.36Å; L238-G250 PolarHBondContact O-N 2.86Å; Q248-G250 VanDerWaalsContact CG-O 3.25Å; Q248-G250 WeakPolarHBondContact CG-O 3.32Å; Q248-G250 PolarHBondContact NE2-O 3.47Å; G250-V268 WeakPolarHBondContact CA-O 3.44Å |
| 251 | V | 97.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 128.2 | 162.3 | 177.4 | 0 | 0 | 0 | 0 | 106.8 | L87 A89 L144 G236 S253 Y267 V268 | L87-V251 HydrophobicContact CD2-CG2 3.95Å; L87-V251 HydrophobicContact CG-CG2 4.21Å; A89-V251 HydrophobicContact CB-CG1 4.23Å; L144-V251 HydrophobicContact CD2-CB 3.86Å; L144-V251 HydrophobicContact CD2-CG1 4.2Å; L144-V251 HydrophobicContact CD2-CG2 3.56Å; G236-V251 WeakPolarHBondContact O-CA 3.38Å; V251-S253 PolarHBondContact O-N 2.92Å; V251-Y267 CarbonylContact O-C 3.4Å; V251-Y267 VanDerWaalsContact O-CA 3.23Å; V251-Y267 WeakPolarHBondContact O-CA 3.44Å; V251-V268 HydrophobicContact CB-CB 4.34Å; V251-V268 PolarHBondContact N-O 3.34Å; V251-V268 PolarHBondContact O-N 2.69Å |
| 252 | V | 95.5 | Very high | 85.5 | Confident | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.024 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 121.6 | 177.8 | 178.4 | 0 | 0 | 0 | 0 | 108.7 | V179 D233 G235 G236 Y267 | V179-V252 HydrophobicContact CG1-CG2 3.76Å; D233-V252 WeakPolarHBondContact O-CB 3.42Å; G235-V252 PolarHBondContact N-O 3.43Å; G236-V252 WeakPolarHBondContact O-CG2 3.33Å; G236-V252 PolarHBondContact O-N 3.43Å; V252-Y267 HydrophobicContact CB-CE1 4.49Å; V252-Y267 HydrophobicContact CG2-CD1 4.13Å; V252-Y267 HydrophobicContact CG2-CE1 3.75Å |
| 253 | S | 92.9 | Very high | 84.9 | Confident | 5 Ų | 5 | 43.4 Ų | 43.4 | 4% | 0.035 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | -68.1 | -176.7 | -175.8 | 0 | 0 | 0 | 0 | 111.4 | H91 D143 V251 V266 | H91-S253 PolarHBondContact CE1-O 2.97Å; D143-S253 WeakPolarHBondContact CB-OG 3.38Å; D143-S253 WeakPolarHBondContact OD2-CA 3.48Å; D143-S253 VanDerWaalsContact OD2-CB 3.31Å; D143-S253 WeakPolarHBondContact OD2-CB 3.22Å; D143-S253 PolarHBondContact OD2-OG 2.85Å; V251-S253 PolarHBondContact O-N 2.92Å; S253-V266 PolarHBondContact N-O 3.01Å; S253-V266 VanDerWaalsContact N-O 3.14Å |
| 254 | F | 87.9 | Confident | 84.7 | Confident | 53 Ų | 53 | 40.8 Ų | 40.8 | 23% | 0.232 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 173.4 | -177.9 | 68.7 | -84.3 | 0 | 0 | 0 | 113 | N140 T212 M217 V266 | N140-F254 HydrophobicContact CB-CD1 3.57Å; N140-F254 HydrophobicContact CB-CE1 3.39Å; N140-F254 HydrophobicContact CB-CG 4.45Å; N140-F254 HydrophobicContact CB-CZ 4.14Å; T212-F254 HydrophobicContact CG2-CE2 4.32Å; T212-F254 HydrophobicContact CG2-CZ 3.73Å; M217-F254 HydrophobicContact SD-CE1 3.76Å; M217-F254 HydrophobicContact SD-CZ 4.27Å; F254-V266 HydrophobicContact CD1-CB 4.06Å; F254-V266 HydrophobicContact CD1-CG1 4.28Å; F254-V266 HydrophobicContact CD2-CB 4.25Å; F254-V266 HydrophobicContact CD2-CG2 4.19Å; F254-V266 HydrophobicContact CE1-CB 3.76Å; F254-V266 HydrophobicContact CE1-CG1 3.57Å; F254-V266 HydrophobicContact CE1-CG2 4.37Å; F254-V266 HydrophobicContact CE2-CB 3.98Å; F254-V266 HydrophobicContact CE2-CG1 4.36Å; F254-V266 HydrophobicContact CE2-CG2 3.71Å; F254-V266 HydrophobicContact CG-CB 4.3Å; F254-V266 HydrophobicContact CZ-CB 3.73Å; F254-V266 HydrophobicContact CZ-CG1 3.63Å; F254-V266 HydrophobicContact CZ-CG2 3.82Å; F254-V266 PolarHBondContact N-O 3.03Å; F254-V266 WeakPolarHBondContact O-CA 3.02Å; F254-V266 PolarHBondContact O-N 3.31Å |
| 255 | G | 80.6 | Confident | 84.6 | Confident | 35 Ų | 35 | 39 Ų | 39 | 36% | 0.361 | 20% | 0.197 | S | C | . | . | trans | -167.6 | 162.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | G257 | G255-G257 PolarHBondContact O-N 3.11Š| ||
| 256 | V | 71.4 | Confident | 84.4 | Confident | 75 Ų | 75 | 35.8 Ų | 35.8 | 46% | 0.455 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -96.1 | 94.2 | 176.1 | -178 | 0 | 0 | 0 | 0 | 109 | R260 L263 | V256-R260 WeakPolarHBondContact O-CD 3.45Å; V256-L263 HydrophobicContact CB-CD1 4.12Å; V256-L263 HydrophobicContact CB-CD2 4.19Å; V256-L263 HydrophobicContact CG1-CD1 3.94Å |
| 257 | G | 66.9 | Low | 84.3 | Confident | 19 Ų | 19 | 34.9 Ų | 34.9 | 20% | 0.196 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 74 | -154.7 | -166.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | E187 G255 | E187-G257 VanDerWaalsContact CD-CA 3.49Å; E187-G257 WeakPolarHBondContact OE2-CA 3.44Å; G255-G257 PolarHBondContact O-N 3.11Å |
| 258 | C | 68.9 | Low | 84.2 | Confident | 10 Ų | 10 | 33.7 Ų | 33.7 | 7% | 0.068 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -132 | 123.3 | 173.5 | -52.9 | 0 | 0 | 0 | 0 | 111.2 | V42 E187 C230 Q231 R260 | V42-C258 HydrophobicContact CG2-CB 4.07Å; E187-C258 HydrophobicContact CB-CB 4.29Å; E187-C258 PolarHBondContact OE2-N 2.86Å; C230-C258 WeakPolarHBondContact CA-SG 3.48Å; C230-C258 HydrophobicContact CB-CB 3.75Å; C230-C258 WeakPolarHBondContact CB-SG 3.07Å; C230-C258 WeakPolarHBondContact SG-CB 3.16Å; C230-C258 CovalentContact SG-SG 2.03Å; C230-C258 PolarHBondContact SG-SG 3.14Å; Q231-C258 PolarHBondContact NE2-SG 3.28Å; C258-R260 PolarHBondContact O-N 3.28Å; C258-R260 VanDerWaalsContact O-N 3.07Å |
| 259 | A | 65 | Low | 84.2 | Confident | 10 Ų | 10 | 36 Ų | 36 | 8% | 0.083 | 18% | 0.181 | C | C | . | . | S | Bend | trans | 53 | 27.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | V42 G225 G226 D228 | V42-A259 HydrophobicContact CB-CB 3.45Å; V42-A259 VanDerWaalsContact CB-CB 3.45Å; V42-A259 HydrophobicContact CG1-CB 3.65Å; V42-A259 HydrophobicContact CG2-CB 3.71Å; G225-A259 WeakPolarHBondContact CA-O 3.24Å; G226-A259 PolarHBondContact N-O 2.92Å; D228-A259 VanDerWaalsContact CB-CA 3.44Å; D228-A259 HydrophobicContact CB-CB 3.42Å; D228-A259 VanDerWaalsContact CB-CB 3.42Å; D228-A259 VanDerWaalsContact CB-N 3.27Å; D228-A259 PolarHBondContact OD2-N 2.93Å |
| 260 | R | 69.6 | Low | 84.2 | Confident | 115 Ų | 115 | 34.8 Ų | 34.8 | 43% | 0.434 | 18% | 0.177 | S | C | . | . | trans | -63.9 | 146.1 | 169.9 | -65.3 | -177.1 | -177.6 | -171.3 | -1 | 108.2 | E187 V256 C258 D262 L263 | E187-R260 IonicContact OE1-CZ 2.61Å; E187-R260 IonicContact OE1-NE 2.87Å; E187-R260 IonicContact OE1-NH2 3.82Å; E187-R260 PolarHBondContact OE1-NH2 2.73Å; E187-R260 IonicContact OE2-CZ 3.54Å; E187-R260 IonicContact OE2-NE 2.65Å; E187-R260 PolarHBondContact OE2-NE 2.6Å; E187-R260 IonicContact OE2-NH2 2.66Å; E187-R260 PolarHBondContact OE2-NH2 3.25Å; V256-R260 WeakPolarHBondContact O-CD 3.45Å; C258-R260 PolarHBondContact O-N 3.28Å; C258-R260 VanDerWaalsContact O-N 3.07Å; R260-D262 PolarHBondContact O-N 3.47Å; R260-L263 HydrophobicContact CB-CB 3.98Å; R260-L263 HydrophobicContact CB-CD1 3.9Å; R260-L263 HydrophobicContact CB-CG 4.45Å; R260-L263 PolarHBondContact O-N 2.81Å | ||
| 261 | R | 71.9 | Confident | 84.2 | Confident | 178 Ų | 178 | 34.9 Ų | 34.9 | 67% | 0.672 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 140.1 | 176.8 | -171.3 | -162.8 | 156.5 | 147.7 | 5 | 109.4 | L263 | R261-L263 PolarHBondContact O-N 3.24Š|
| 262 | D | 70.4 | Confident | 84.2 | Confident | 108 Ų | 108 | 39.2 Ų | 39.2 | 58% | 0.578 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 12.1 | 179.3 | -47.7 | -51.1 | 0 | 0 | 0 | 114.6 | E223 R260 | E223-D262 PolarHBondContact O-N 3.3Å; R260-D262 PolarHBondContact O-N 3.47Å |
| 263 | L | 78.9 | Confident | 84.3 | Confident | 55 Ų | 55 | 39.3 Ų | 39.3 | 29% | 0.288 | 19% | 0.193 | S | C | . | . | trans | -131.2 | 79.4 | 179.8 | -67.6 | 174.6 | 0 | 0 | 0 | 109.9 | V256 R260 R261 | V256-L263 HydrophobicContact CB-CD1 4.12Å; V256-L263 HydrophobicContact CB-CD2 4.19Å; V256-L263 HydrophobicContact CG1-CD1 3.94Å; R260-L263 HydrophobicContact CB-CB 3.98Å; R260-L263 HydrophobicContact CB-CD1 3.9Å; R260-L263 HydrophobicContact CB-CG 4.45Å; R260-L263 PolarHBondContact O-N 2.81Å; R261-L263 PolarHBondContact O-N 3.24Å | ||
| 264 | P | 84.6 | Confident | 84.5 | Confident | 14 Ų | 14 | 39.7 Ų | 39.7 | 9% | 0.091 | 20% | 0.195 | C | C | . | . | trans | -73.9 | 158.1 | 178.7 | 33 | -37.7 | 0 | 0 | 0 | 112.2 | L203 C219 | L203-P264 HydrophobicContact CD1-CB 3.63Å; L203-P264 HydrophobicContact CD1-CG 3.74Å; C219-P264 HydrophobicContact CB-CB 4.01Å; C219-P264 HydrophobicContact CB-CG 3.64Å | ||
| 265 | G | 88.8 | Confident | 85 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 146.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | C219 A220 D228 Y267 | C219-G265 VanDerWaalsContact CA-O 3.3Å; C219-G265 WeakPolarHBondContact CA-O 3.38Å; A220-G265 PolarHBondContact N-O 2.87Å; A220-G265 VanDerWaalsContact N-O 3.11Å; A220-G265 PolarHBondContact O-N 3.15Å; D228-G265 VanDerWaalsContact OD1-CA 3.32Å; D228-G265 WeakPolarHBondContact OD1-CA 3.25Å; D228-G265 PolarHBondContact OD1-N 3.47Å; D228-G265 PolarHBondContact OD2-N 2.88Å; G265-Y267 VanDerWaalsContact C-CE2 3.46Å; G265-Y267 WeakPolarHBondContact O-CD2 3.3Å; G265-Y267 WeakPolarHBondContact O-CE2 3.5Å |
| 266 | V | 92 | Very high | 85.8 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 132.9 | 179 | -171.5 | 0 | 0 | 0 | 0 | 109.6 | V209 T212 M217 S253 F254 | V209-V266 HydrophobicContact CG2-CG2 4.36Å; T212-V266 HydrophobicContact CG2-CG1 4.38Å; M217-V266 HydrophobicContact CB-CG1 4.01Å; M217-V266 HydrophobicContact CG-CG1 4.41Å; M217-V266 HydrophobicContact SD-CG1 4.04Å; S253-V266 PolarHBondContact N-O 3.01Å; S253-V266 VanDerWaalsContact N-O 3.14Å; F254-V266 HydrophobicContact CD1-CB 4.06Å; F254-V266 HydrophobicContact CD1-CG1 4.28Å; F254-V266 HydrophobicContact CD2-CB 4.25Å; F254-V266 HydrophobicContact CD2-CG2 4.19Å; F254-V266 HydrophobicContact CE1-CB 3.76Å; F254-V266 HydrophobicContact CE1-CG1 3.57Å; F254-V266 HydrophobicContact CE1-CG2 4.37Å; F254-V266 HydrophobicContact CE2-CB 3.98Å; F254-V266 HydrophobicContact CE2-CG1 4.36Å; F254-V266 HydrophobicContact CE2-CG2 3.71Å; F254-V266 HydrophobicContact CG-CB 4.3Å; F254-V266 HydrophobicContact CZ-CB 3.73Å; F254-V266 HydrophobicContact CZ-CG1 3.63Å; F254-V266 HydrophobicContact CZ-CG2 3.82Å; F254-V266 PolarHBondContact N-O 3.03Å; F254-V266 WeakPolarHBondContact O-CA 3.02Å; F254-V266 PolarHBondContact O-N 3.31Å |
| 267 | Y | 95.1 | Very high | 87 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 142.4 | -171.9 | -56.6 | -102.1 | 0 | 0 | 0 | 109.7 | V179 M217 F218 A220 L238 V251 V252 G265 R269 | V179-Y267 HydrophobicContact CG2-CE1 3.73Å; M217-Y267 CarbonylContact C-O 3.53Å; M217-Y267 VanDerWaalsContact CA-O 3.29Å; M217-Y267 WeakPolarHBondContact CA-O 3.38Å; F218-Y267 HydrophobicContact CE2-CD2 4.3Å; F218-Y267 HydrophobicContact CE2-CG 4.23Å; F218-Y267 HydrophobicContact CZ-CG 4.26Å; F218-Y267 PolarHBondContact N-O 2.6Å; F218-Y267 PolarHBondContact O-N 3.02Å; A220-Y267 HydrophobicContact CB-CD2 4Å; A220-Y267 HydrophobicContact CB-CE2 3.6Å; L238-Y267 HydrophobicContact CB-CD1 3.76Å; L238-Y267 HydrophobicContact CB-CE1 3.89Å; L238-Y267 HydrophobicContact CD1-CD1 3.81Å; L238-Y267 HydrophobicContact CD1-CD2 4.21Å; L238-Y267 HydrophobicContact CD1-CE1 3.65Å; L238-Y267 HydrophobicContact CD1-CE2 4.12Å; L238-Y267 HydrophobicContact CD1-CG 4.1Å; L238-Y267 HydrophobicContact CG-CD1 4.45Å; L238-Y267 HydrophobicContact CG-CE1 4.39Å; V251-Y267 CarbonylContact O-C 3.4Å; V251-Y267 VanDerWaalsContact O-CA 3.23Å; V251-Y267 WeakPolarHBondContact O-CA 3.44Å; V252-Y267 HydrophobicContact CB-CE1 4.49Å; V252-Y267 HydrophobicContact CG2-CD1 4.13Å; V252-Y267 HydrophobicContact CG2-CE1 3.75Å; G265-Y267 VanDerWaalsContact C-CE2 3.46Å; G265-Y267 WeakPolarHBondContact O-CD2 3.3Å; G265-Y267 WeakPolarHBondContact O-CE2 3.5Å; Y267-R269 PolarHBondContact O-N 3.27Å |
| 268 | V | 96.7 | Very high | 88.5 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 132.6 | 171 | -173.9 | 0 | 0 | 0 | 0 | 109.6 | D143 L144 G250 V251 L270 Y273 | D143-V268 HydrophobicContact CB-CG2 3.9Å; D143-V268 WeakPolarHBondContact O-CG2 3.47Å; L144-V268 HydrophobicContact CD1-CG1 3.87Å; L144-V268 HydrophobicContact CD2-CB 4.06Å; L144-V268 HydrophobicContact CD2-CG1 3.97Å; L144-V268 HydrophobicContact CD2-CG2 4.22Å; L144-V268 HydrophobicContact CG-CB 4.39Å; L144-V268 HydrophobicContact CG-CG1 3.83Å; L144-V268 HydrophobicContact CG-CG2 4.43Å; G250-V268 WeakPolarHBondContact CA-O 3.44Å; V251-V268 HydrophobicContact CB-CB 4.34Å; V251-V268 PolarHBondContact N-O 3.34Å; V251-V268 PolarHBondContact O-N 2.69Å; V268-L270 VanDerWaalsContact C-N 3.32Å; V268-L270 PolarHBondContact O-N 2.03Å; V268-Y273 HydrophobicContact CG1-CD2 3.61Å; V268-Y273 HydrophobicContact CG1-CE2 3.25Å |
| 269 | R | 97.1 | Very high | 89.8 | Confident | 48 Ų | 48 | 40.4 Ų | 40.4 | 18% | 0.181 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 78.2 | 178.8 | -168.9 | -177.4 | -67.2 | -76.9 | 5.2 | 110.8 | V171 Q214 D215 L216 M217 F218 Y267 P271 R272 Y273 | V171-R269 HydrophobicContact CG2-CG 3.92Å; Q214-R269 VanDerWaalsContact O-CZ 3.28Å; Q214-R269 PolarHBondContact O-NE 3.43Å; Q214-R269 PolarHBondContact O-NH2 3.01Å; D215-R269 WeakPolarHBondContact O-CD 3.3Å; L216-R269 WeakPolarHBondContact O-CB 3.1Å; L216-R269 PolarHBondContact O-N 2.92Å; M217-R269 PolarHBondContact O-NE 2.82Å; M217-R269 PolarHBondContact O-NH2 3.49Å; F218-R269 HydrophobicContact CD1-CB 4.02Å; F218-R269 HydrophobicContact CD1-CG 4.28Å; Y267-R269 PolarHBondContact O-N 3.27Å; R269-P271 VanDerWaalsContact C-N 3.3Å; R269-P271 WeakPolarHBondContact O-CD 3.39Å; R269-R272 HydrophobicContact CB-CG 4.38Å; R269-R272 HydrophobicContact CG-CG 4.12Å; R269-R272 WeakPolarHBondContact O-CB 3.06Å; R269-R272 PolarHBondContact O-N 3.33Å; R269-Y273 WeakPolarHBondContact O-CD2 3.38Å |
| 270 | L | 98 | Very high | 91.3 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -48.6 | -37 | -173.8 | -172 | 56.7 | 0 | 0 | 0 | 115.5 | L87 L144 L164 Q248 Y249 V268 R272 Y273 I274 L277 | L87-L270 HydrophobicContact CD2-CD1 3.72Å; L87-L270 HydrophobicContact CD2-CD2 3.57Å; L87-L270 HydrophobicContact CD2-CG 4.32Å; L144-L270 HydrophobicContact CD1-CD1 4.4Å; L164-L270 HydrophobicContact CD2-CD2 4.05Å; Q248-L270 HydrophobicContact CB-CD2 4.16Å; Q248-L270 HydrophobicContact CG-CD2 3.81Å; Y249-L270 WeakPolarHBondContact O-CB 3.4Å; Y249-L270 PolarHBondContact O-N 2.75Å; V268-L270 VanDerWaalsContact C-N 3.32Å; V268-L270 PolarHBondContact O-N 2.03Å; L270-R272 PolarHBondContact O-N 3.29Å; L270-Y273 PolarHBondContact O-N 2.82Å; L270-I274 HydrophobicContact CD1-CD1 4.4Å; L270-I274 HydrophobicContact CG-CD1 4.06Å; L270-I274 PolarHBondContact O-N 3.03Å; L270-L277 HydrophobicContact CD1-CD1 4.17Å |
| 271 | P | 98 | Very high | 92.6 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -54 | -22.6 | 173.7 | -28 | 34.1 | 0 | 0 | 0 | 115.9 | P165 H168 E169 V171 Y249 R269 | P165-P271 HydrophobicContact CB-CG 4.05Å; P165-P271 HydrophobicContact CG-CB 4.35Å; P165-P271 HydrophobicContact CG-CG 3.75Å; H168-P271 PolarHBondContact N-O 2.99Å; E169-P271 HydrophobicContact CB-CB 4.41Å; E169-P271 WeakPolarHBondContact O-CB 3.49Å; E169-P271 VanDerWaalsContact O-CG 3.31Å; E169-P271 WeakPolarHBondContact O-CG 3.41Å; V171-P271 HydrophobicContact CG2-CG 4.14Å; Y249-P271 HydrophobicContact CD1-CG 3.81Å; Y249-P271 HydrophobicContact CE1-CG 4.29Å; R269-P271 VanDerWaalsContact C-N 3.3Å; R269-P271 WeakPolarHBondContact O-CD 3.39Å |
| 272 | R | 97.4 | Very high | 93.7 | Very high | 91 Ų | 91 | 30.5 Ų | 30.5 | 34% | 0.343 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -79.3 | -21.2 | 175.5 | -67.5 | -67.5 | -137.4 | 173.1 | 4.2 | 113.9 | D215 R269 L270 | D215-R272 VanDerWaalsContact CG-NH2 3.29Å; D215-R272 WeakPolarHBondContact O-CG 3.07Å; D215-R272 PolarHBondContact O-NE 2.95Å; D215-R272 IonicContact OD1-CZ 3.09Å; D215-R272 IonicContact OD1-NH2 3.33Å; D215-R272 PolarHBondContact OD1-NH2 2.83Å; R269-R272 HydrophobicContact CB-CG 4.38Å; R269-R272 HydrophobicContact CG-CG 4.12Å; R269-R272 WeakPolarHBondContact O-CB 3.06Å; R269-R272 PolarHBondContact O-N 3.33Å; L270-R272 PolarHBondContact O-N 3.29Å |
| 273 | Y | 98 | Very high | 94.9 | Very high | 7 Ų | 7 | 26.7 Ų | 26.7 | 3% | 0.027 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 4.9 | -171.8 | -61.6 | -78 | 0 | 0 | 0 | 113.5 | H133 N142 L144 L216 V268 R269 L270 T275 W276 L277 | H133-Y273 AromaticContact CD2-CD1 3.49Å; H133-Y273 VanDerWaalsContact CD2-CD1 3.49Å; H133-Y273 WeakPolarHBondContact CD2-CD1 3.47Å; H133-Y273 AromaticContact CD2-CE1 3.32Å; H133-Y273 WeakPolarHBondContact CD2-CE1 3.17Å; H133-Y273 AromaticContact NE2-CD1 3.7Å; H133-Y273 AromaticContact NE2-CE1 3.63Å; N142-Y273 HydrophobicContact CB-CE1 4.49Å; N142-Y273 WeakPolarHBondContact OD1-CE1 3.42Å; N142-Y273 PolarHBondContact OD1-OH 3.36Å; L144-Y273 VanDerWaalsContact CD1-CB 3.42Å; L144-Y273 HydrophobicContact CD1-CD1 3.94Å; L144-Y273 HydrophobicContact CD1-CD2 3.58Å; L144-Y273 HydrophobicContact CD1-CE2 4.27Å; L144-Y273 HydrophobicContact CD1-CG 3.36Å; L216-Y273 WeakPolarHBondContact CB-OH 3.48Å; V268-Y273 HydrophobicContact CG1-CD2 3.61Å; V268-Y273 HydrophobicContact CG1-CE2 3.25Å; R269-Y273 WeakPolarHBondContact O-CD2 3.38Å; L270-Y273 PolarHBondContact O-N 2.82Å; Y273-T275 VanDerWaalsContact C-N 3.32Å; Y273-T275 PolarHBondContact O-N 3.31Å; Y273-W276 PolarHBondContact O-N 2.89Å; Y273-W276 VanDerWaalsContact O-N 3.14Å; Y273-L277 WeakPolarHBondContact O-CB 3.42Å; Y273-L277 PolarHBondContact O-N 3.17Å |
| 274 | I | 98 | Very high | 95.6 | Very high | 13 Ų | 13 | 24 Ų | 24 | 7% | 0.067 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.1 | -42.1 | -179.7 | -58.6 | -57.4 | 0 | 0 | 0 | 112 | L164 P165 L270 W276 L277 T278 | L164-I274 HydrophobicContact CB-CD1 4.3Å; P165-I274 HydrophobicContact CG-CD1 3.94Å; P165-I274 HydrophobicContact CG-CG1 4.4Å; P165-I274 WeakPolarHBondContact O-CG1 3.5Å; L270-I274 HydrophobicContact CD1-CD1 4.4Å; L270-I274 HydrophobicContact CG-CD1 4.06Å; L270-I274 PolarHBondContact O-N 3.03Å; I274-W276 PolarHBondContact O-N 2.84Å; I274-L277 PolarHBondContact O-N 3.37Å; I274-T278 PolarHBondContact O-N 3.47Å; I274-T278 PolarHBondContact O-OG1 3.38Å; I274-T278 VanDerWaalsContact O-OG1 3.05Å |
| 275 | T | 97.1 | Very high | 96 | Very high | 50 Ų | 50 | 27.5 Ų | 27.5 | 31% | 0.307 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -59.1 | -46.9 | 175.2 | -53 | 0 | 0 | 0 | 0 | 111.8 | Y273 Q279 | Y273-T275 VanDerWaalsContact C-N 3.32Å; Y273-T275 PolarHBondContact O-N 3.31Å; T275-Q279 WeakPolarHBondContact O-CB 3.49Å; T275-Q279 VanDerWaalsContact O-CG 3.26Å; T275-Q279 WeakPolarHBondContact O-CG 3.2Å; T275-Q279 PolarHBondContact O-N 2.88Å |
| 276 | W | 97.4 | Very high | 96.1 | Very high | 19 Ų | 19 | 31.2 Ų | 31.2 | 7% | 0.072 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.8 | -41.8 | 176 | 165.3 | 77.3 | 0 | 0 | 0 | 112.1 | L87 H133 L144 L146 Y273 I274 Q279 S280 | L87-W276 HydrophobicContact CD1-CZ3 4.43Å; H133-W276 HydrophobicContact CB-CD2 3.97Å; H133-W276 HydrophobicContact CB-CE3 4.47Å; H133-W276 HydrophobicContact CB-CG 4.46Å; H133-W276 HydrophobicContact CB-CH2 4.37Å; H133-W276 HydrophobicContact CB-CZ2 3.85Å; H133-W276 AromaticContact CE1-CD1 3.63Å; H133-W276 AromaticContact CE1-CG 3.72Å; H133-W276 AromaticContact CG-CD1 3.92Å; H133-W276 AromaticContact CG-CD2 3.91Å; H133-W276 AromaticContact CG-CE2 3.93Å; H133-W276 AromaticContact CG-CG 3.91Å; H133-W276 AromaticContact CG-NE1 3.86Å; H133-W276 AromaticContact ND1-CD1 3.01Å; H133-W276 AromaticContact ND1-CD2 3.74Å; H133-W276 AromaticContact ND1-CE2 3.75Å; H133-W276 AromaticContact ND1-CG 3.29Å; H133-W276 VanDerWaalsContact ND1-CG 3.29Å; H133-W276 AromaticContact ND1-NE1 3.24Å; H133-W276 PolarHBondContact ND1-NE1 3.02Å; L144-W276 HydrophobicContact CB-CH2 3.85Å; L144-W276 HydrophobicContact CB-CZ3 3.69Å; L144-W276 HydrophobicContact CD1-CE3 4.25Å; L144-W276 HydrophobicContact CD1-CZ3 4.02Å; L144-W276 HydrophobicContact CG-CZ3 4.49Å; L146-W276 HydrophobicContact CB-CH2 4.1Å; Y273-W276 PolarHBondContact O-N 2.89Å; Y273-W276 VanDerWaalsContact O-N 3.14Å; I274-W276 PolarHBondContact O-N 2.84Å; W276-Q279 PolarHBondContact O-N 3.34Å; W276-S280 VanDerWaalsContact CE2-OG 3.25Å; W276-S280 PolarHBondContact NE1-OG 3.14Å; W276-S280 VanDerWaalsContact NE1-OG 3.08Å; W276-S280 WeakPolarHBondContact O-CB 3.5Å; W276-S280 PolarHBondContact O-N 2.91Å; W276-S280 PolarHBondContact O-OG 3.1Å |
| 277 | L | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.7 | -46.7 | 179.9 | -172.4 | 163.4 | 0 | 0 | 0 | 110.4 | T77 L87 L146 L164 L270 Y273 I274 S280 A281 | T77-L277 HydrophobicContact CG2-CD2 3.57Å; L87-L277 HydrophobicContact CD1-CD1 3.99Å; L87-L277 HydrophobicContact CD2-CD1 3.94Å; L87-L277 HydrophobicContact CG-CD1 4.46Å; L146-L277 HydrophobicContact CD1-CG 4.43Å; L146-L277 HydrophobicContact CD2-CG 4.43Å; L164-L277 HydrophobicContact CD1-CD1 4.06Å; L164-L277 HydrophobicContact CD1-CD2 3.65Å; L164-L277 HydrophobicContact CD2-CD1 3.88Å; L270-L277 HydrophobicContact CD1-CD1 4.17Å; Y273-L277 WeakPolarHBondContact O-CB 3.42Å; Y273-L277 PolarHBondContact O-N 3.17Å; I274-L277 PolarHBondContact O-N 3.37Å; L277-S280 PolarHBondContact O-N 3.29Å; L277-A281 WeakPolarHBondContact O-CB 3.37Å; L277-A281 PolarHBondContact O-N 2.78Å |
| 278 | T | 97.1 | Very high | 93.4 | Very high | 54 Ų | 54 | 37 Ų | 37 | 33% | 0.331 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.4 | -51.1 | 176.6 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | I274 S280 A281 D282 | I274-T278 PolarHBondContact O-N 3.47Å; I274-T278 PolarHBondContact O-OG1 3.38Å; I274-T278 VanDerWaalsContact O-OG1 3.05Å; T278-S280 VanDerWaalsContact C-N 3.28Å; T278-S280 PolarHBondContact O-N 3.2Å; T278-A281 WeakPolarHBondContact O-CB 2.99Å; T278-A281 PolarHBondContact O-N 2.98Å; T278-D282 PolarHBondContact O-N 3.4Å |
| 279 | Q | 96.6 | Very high | 91.1 | Very high | 84 Ų | 84 | 42.9 Ų | 42.9 | 39% | 0.393 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.1 | -36.5 | 177.9 | -71.2 | 170.9 | -13.8 | 0 | 0 | 112.6 | T275 W276 A283 | T275-Q279 WeakPolarHBondContact O-CB 3.49Å; T275-Q279 VanDerWaalsContact O-CG 3.26Å; T275-Q279 WeakPolarHBondContact O-CG 3.2Å; T275-Q279 PolarHBondContact O-N 2.88Å; W276-Q279 PolarHBondContact O-N 3.34Å; Q279-A283 WeakPolarHBondContact O-CB 3.38Å; Q279-A283 PolarHBondContact O-N 3.05Å |
| 280 | S | 96.4 | Very high | 88.7 | Confident | 7 Ų | 7 | 46.1 Ų | 46.1 | 5% | 0.049 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.9 | -43.6 | 175.9 | -64.9 | 0 | 0 | 0 | 0 | 111.4 | W276 L277 T278 A283 L284 | W276-S280 VanDerWaalsContact CE2-OG 3.25Å; W276-S280 PolarHBondContact NE1-OG 3.14Å; W276-S280 VanDerWaalsContact NE1-OG 3.08Å; W276-S280 WeakPolarHBondContact O-CB 3.5Å; W276-S280 PolarHBondContact O-N 2.91Å; W276-S280 PolarHBondContact O-OG 3.1Å; L277-S280 PolarHBondContact O-N 3.29Å; T278-S280 VanDerWaalsContact C-N 3.28Å; T278-S280 PolarHBondContact O-N 3.2Å; S280-A283 PolarHBondContact O-N 3.2Å; S280-L284 WeakPolarHBondContact O-CB 3.36Å; S280-L284 WeakPolarHBondContact O-CD1 3.08Å; S280-L284 WeakPolarHBondContact O-CG 3.44Å; S280-L284 PolarHBondContact O-N 2.92Å |
| 281 | A | 96.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.6 | -50.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | T77 L85 L146 L277 T278 A283 L284 H285 | T77-A281 HydrophobicContact CG2-CB 3.63Å; L85-A281 HydrophobicContact CD1-CB 3.62Å; L85-A281 HydrophobicContact CD2-CB 4.35Å; L146-A281 HydrophobicContact CD2-CB 4.06Å; L277-A281 WeakPolarHBondContact O-CB 3.37Å; L277-A281 PolarHBondContact O-N 2.78Å; T278-A281 WeakPolarHBondContact O-CB 2.99Å; T278-A281 PolarHBondContact O-N 2.98Å; A281-A283 VanDerWaalsContact C-N 3.29Å; A281-A283 PolarHBondContact O-N 2.73Å; A281-L284 PolarHBondContact O-N 3.4Å; A281-L284 VanDerWaalsContact O-N 3.14Å; A281-H285 PolarHBondContact O-N 3Å |
| 282 | D | 96 | Very high | 83 | Confident | 87 Ų | 87 | 56.8 Ų | 56.8 | 47% | 0.465 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -57.7 | -42.9 | 178.8 | -64.8 | -22.2 | 0 | 0 | 0 | 111.3 | T278 H285 A286 | T278-D282 PolarHBondContact O-N 3.4Å; D282-H285 PolarHBondContact O-N 2.86Å; D282-A286 WeakPolarHBondContact O-CB 3.27Å; D282-A286 PolarHBondContact O-N 3.24Å |
| 283 | A | 95.1 | Very high | 80.6 | Confident | 28 Ų | 28 | 55.2 Ų | 55.2 | 23% | 0.231 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -70.7 | -34.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | F131 Q279 S280 A281 H285 A286 T287 | F131-A283 HydrophobicContact CE2-CB 3.74Å; F131-A283 HydrophobicContact CZ-CB 4.4Å; Q279-A283 WeakPolarHBondContact O-CB 3.38Å; Q279-A283 PolarHBondContact O-N 3.05Å; S280-A283 PolarHBondContact O-N 3.2Å; A281-A283 VanDerWaalsContact C-N 3.29Å; A281-A283 PolarHBondContact O-N 2.73Å; A283-H285 VanDerWaalsContact C-N 3.34Å; A283-A286 PolarHBondContact O-N 3.09Å; A283-T287 WeakPolarHBondContact O-CG2 3.5Å; A283-T287 PolarHBondContact O-N 2.8Å |
| 284 | L | 94.5 | Very high | 78 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.7 | -35.7 | 171.8 | -69.2 | 164.3 | 0 | 0 | 0 | 111.4 | L85 Q129 F131 L146 Q148 S280 A281 T287 | L85-L284 HydrophobicContact CD2-CD1 4.36Å; Q129-L284 HydrophobicContact CB-CD2 4.39Å; Q129-L284 HydrophobicContact CG-CD2 3.7Å; Q129-L284 PolarHBondContact NE2-O 3.35Å; F131-L284 HydrophobicContact CD1-CD2 4.38Å; F131-L284 HydrophobicContact CD2-CD1 4.36Å; F131-L284 HydrophobicContact CD2-CD2 3.9Å; F131-L284 HydrophobicContact CD2-CG 3.79Å; F131-L284 HydrophobicContact CE1-CD2 4.28Å; F131-L284 HydrophobicContact CE2-CD2 3.79Å; F131-L284 HydrophobicContact CE2-CG 3.7Å; F131-L284 HydrophobicContact CG-CD2 4.18Å; F131-L284 HydrophobicContact CG-CG 4.5Å; F131-L284 HydrophobicContact CZ-CD2 3.99Å; F131-L284 HydrophobicContact CZ-CG 4.36Å; L146-L284 HydrophobicContact CB-CD1 4.39Å; L146-L284 HydrophobicContact CD2-CD1 3.85Å; L146-L284 HydrophobicContact CG-CD1 3.95Å; Q148-L284 HydrophobicContact CB-CB 4.39Å; Q148-L284 HydrophobicContact CB-CD1 4.43Å; Q148-L284 HydrophobicContact CB-CD2 4.4Å; Q148-L284 PolarHBondContact OE1-O 3.25Å; S280-L284 WeakPolarHBondContact O-CB 3.36Å; S280-L284 WeakPolarHBondContact O-CD1 3.08Å; S280-L284 WeakPolarHBondContact O-CG 3.44Å; S280-L284 PolarHBondContact O-N 2.92Å; A281-L284 PolarHBondContact O-N 3.4Å; A281-L284 VanDerWaalsContact O-N 3.14Å; L284-T287 PolarHBondContact O-OG1 2.92Å |
| 285 | H | 93.4 | Very high | 75.8 | Confident | 86 Ų | 86 | 64.4 Ų | 64.4 | 40% | 0.398 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -75.9 | -27.5 | 175.7 | -67.2 | 153.4 | 0 | 0 | 0 | 113.1 | D84 Q148 A281 D282 A283 | D84-H285 IonicContact OD1-CD2 3.28Å; D84-H285 IonicContact OD1-CE1 3.72Å; D84-H285 IonicContact OD1-NE2 3.91Å; D84-H285 PolarHBondContact OD1-NE2 2.68Å; D84-H285 IonicContact OD2-CD2 3.4Å; D84-H285 IonicContact OD2-NE2 3.1Å; D84-H285 PolarHBondContact OD2-NE2 2.03Å; Q148-H285 PolarHBondContact NE2-CD2 3.25Å; A281-H285 PolarHBondContact O-N 3Å; D282-H285 PolarHBondContact O-N 2.86Å; A283-H285 VanDerWaalsContact C-N 3.34Å |
| 286 | A | 91 | Very high | 73.3 | Confident | 78 Ų | 78 | 65.4 Ų | 65.4 | 65% | 0.645 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -75.2 | -19.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | D282 A283 S288 | D282-A286 WeakPolarHBondContact O-CB 3.27Å; D282-A286 PolarHBondContact O-N 3.24Å; A283-A286 PolarHBondContact O-N 3.09Å; A286-S288 PolarHBondContact O-N 2.8Å |
| 287 | T | 73.4 | Confident | 71 | Confident | 37 Ų | 37 | 70.1 Ų | 70.1 | 23% | 0.227 | 43% | 0.429 | C | S | . | . | trans | -81.9 | 102 | -177 | 56.3 | 0 | 0 | 0 | 0 | 112.6 | K128 Q129 A283 L284 I293 | K128-T287 PolarHBondContact NZ-O 3Å; Q129-T287 PolarHBondContact NE2-OG1 3.23Å; Q129-T287 PolarHBondContact OE1-OG1 2.94Å; A283-T287 WeakPolarHBondContact O-CG2 3.5Å; A283-T287 PolarHBondContact O-N 2.8Å; L284-T287 PolarHBondContact O-OG1 2.92Å; T287-I293 HydrophobicContact CG2-CD1 3.65Å | ||
| 288 | S | 55.7 | Low | 68.8 | Low | 85 Ų | 85 | 72.4 Ų | 72.4 | 59% | 0.594 | 44% | 0.439 | S | S | * | . | trans | -60.9 | 154.1 | 165.3 | -76.6 | 0 | 0 | 0 | 0 | 111.8 | A286 T290 | A286-S288 PolarHBondContact O-N 2.8Å; S288-T290 PolarHBondContact O-N 3.42Å | ||
| 289 | P | 49.5 | Very low | 66.4 | Low | 125 Ų | 125 | 72.3 Ų | 72.3 | 81% | 0.812 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | 16.4 | -168.9 | -21.1 | 34.7 | 0 | 0 | 0 | 117.5 | ||
| 290 | T | 45.3 | Very low | 63.9 | Low | 116 Ų | 116 | 73.7 Ų | 73.7 | 71% | 0.712 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.6 | 11.8 | -162.8 | 51.4 | 0 | 0 | 0 | 0 | 114.9 | S288 | S288-T290 PolarHBondContact O-N 3.42Š|
| 291 | T | 38.3 | Very low | 61.6 | Low | 108 Ų | 108 | 78.8 Ų | 78.8 | 66% | 0.663 | 47% | 0.469 | S | S | * | . | trans | -142.7 | 111.6 | 177 | -48.1 | 0 | 0 | 0 | 0 | 111.4 | I293 | T291-I293 PolarHBondContact O-N 2.84Š| ||
| 292 | P | 39.3 | Very low | 59.3 | Low | 117 Ų | 117 | 79.7 Ų | 79.7 | 76% | 0.76 | 48% | 0.477 | S | S | * | . | trans | -65 | 115.6 | 169.8 | -16.7 | 30.5 | 0 | 0 | 0 | 109.4 | N294 | P292-N294 PolarHBondContact O-N 3.41Š| ||
| 293 | I | 46.1 | Very low | 57 | Low | 59 Ų | 59 | 79.1 Ų | 79.1 | 30% | 0.303 | 47% | 0.474 | S | S | . | . | trans | -78.6 | 102.2 | 173.4 | -63.5 | 179 | 0 | 0 | 0 | 107.4 | T287 T291 H297 Q298 | T287-I293 HydrophobicContact CG2-CD1 3.65Å; T291-I293 PolarHBondContact O-N 2.84Å; I293-H297 HydrophobicContact CG2-CB 3.66Å; I293-Q298 HydrophobicContact CG2-CG 3.73Å | ||
| 294 | N | 44.4 | Very low | 54.7 | Low | 123 Ų | 123 | 83.2 Ų | 83.2 | 66% | 0.658 | 49% | 0.486 | S | S | * | . | trans | -58.1 | 146.2 | 166.4 | -80 | -13.4 | 0 | 0 | 0 | 109.5 | P292 A296 H297 | P292-N294 PolarHBondContact O-N 3.41Å; N294-A296 PolarHBondContact O-N 2.95Å; N294-H297 WeakPolarHBondContact O-CB 3.43Å; N294-H297 PolarHBondContact O-N 3.1Å | ||
| 295 | S | 51.9 | Low | 52.5 | Low | 90 Ų | 90 | 84.5 Ų | 84.5 | 63% | 0.629 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -50 | -34.6 | -178.8 | 49.4 | 0 | 0 | 0 | 0 | 114.1 | H297 Q298 C299 | S295-H297 VanDerWaalsContact C-N 3.27Å; S295-H297 PolarHBondContact O-N 2.7Å; S295-Q298 WeakPolarHBondContact O-CB 3.47Å; S295-Q298 PolarHBondContact O-N 3.4Å; S295-C299 PolarHBondContact O-N 3.09Å |
| 296 | A | 44.1 | Very low | 50.4 | Low | 71 Ų | 71 | 86.6 Ų | 86.6 | 59% | 0.587 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.3 | -32.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | N294 F300 | N294-A296 PolarHBondContact O-N 2.95Å; A296-F300 PolarHBondContact O-N 2.88Å; A296-F300 VanDerWaalsContact O-N 3.13Å |
| 297 | H | 49.7 | Very low | 48.2 | Very low | 118 Ų | 118 | 89.2 Ų | 89.2 | 55% | 0.546 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -75.2 | -27.8 | 175.4 | -100.3 | -107.9 | 0 | 0 | 0 | 112.9 | I293 N294 S295 F300 M301 | I293-H297 HydrophobicContact CG2-CB 3.66Å; N294-H297 WeakPolarHBondContact O-CB 3.43Å; N294-H297 PolarHBondContact O-N 3.1Å; S295-H297 VanDerWaalsContact C-N 3.27Å; S295-H297 PolarHBondContact O-N 2.7Å; H297-F300 PolarHBondContact O-N 3.07Å; H297-M301 PolarHBondContact O-N 2.03Å |
| 298 | Q | 51.4 | Low | 47.1 | Very low | 48 Ų | 48 | 91.4 Ų | 91.4 | 22% | 0.224 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -63.7 | -46.9 | 174 | -63.9 | 177.2 | -39.6 | 0 | 0 | 109.6 | Y130 F131 I293 S295 F300 M301 A302 | Y130-Q298 PolarHBondContact O-NE2 2.73Å; Y130-Q298 VanDerWaalsContact O-NE2 3.12Å; F131-Q298 HydrophobicContact CD1-CG 4.07Å; F131-Q298 HydrophobicContact CE1-CG 4.15Å; I293-Q298 HydrophobicContact CG2-CG 3.73Å; S295-Q298 WeakPolarHBondContact O-CB 3.47Å; S295-Q298 PolarHBondContact O-N 3.4Å; Q298-F300 VanDerWaalsContact C-N 3.32Å; Q298-F300 PolarHBondContact O-N 3.35Å; Q298-M301 PolarHBondContact O-N 3.12Å; Q298-A302 PolarHBondContact O-N 3.02Å |
| 299 | C | 46.4 | Very low | 46.5 | Very low | 52 Ų | 52 | 92.1 Ų | 92.1 | 35% | 0.351 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.8 | -36.8 | 172 | -59.6 | 0 | 0 | 0 | 0 | 112.8 | S295 A302 N303 | S295-C299 PolarHBondContact O-N 3.09Å; C299-A302 PolarHBondContact O-N 3.24Å; C299-N303 WeakPolarHBondContact O-CB 3.03Å; C299-N303 PolarHBondContact O-N 2.82Å; C299-N303 PolarHBondContact O-ND2 3.33Å |
| 300 | F | 44.2 | Very low | 46.4 | Very low | 112 Ų | 112 | 91.3 Ų | 91.3 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.8 | -41.8 | -178.3 | -172 | -99.9 | 0 | 0 | 0 | 112.9 | A296 H297 Q298 N303 K304 | A296-F300 PolarHBondContact O-N 2.88Å; A296-F300 VanDerWaalsContact O-N 3.13Å; H297-F300 PolarHBondContact O-N 3.07Å; Q298-F300 VanDerWaalsContact C-N 3.32Å; Q298-F300 PolarHBondContact O-N 3.35Å; F300-N303 PolarHBondContact O-N 2.82Å; F300-K304 HydrophobicContact CE1-CD 3.89Å; F300-K304 HydrophobicContact CE1-CG 4.31Å; F300-K304 HydrophobicContact CZ-CD 4.26Å; F300-K304 HydrophobicContact CZ-CG 4.44Å; F300-K304 PolarHBondContact O-N 3.35Å |
| 301 | M | 48.4 | Very low | 46.4 | Very low | 114 Ų | 114 | 88.3 Ų | 88.3 | 56% | 0.562 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -70 | -38.8 | 178.2 | -61 | -61.1 | -108.4 | 0 | 0 | 111.6 | H297 Q298 K304 A305 | H297-M301 PolarHBondContact O-N 2.03Å; Q298-M301 PolarHBondContact O-N 3.12Å; M301-K304 PolarHBondContact O-N 2.95Å; M301-A305 PolarHBondContact O-N 3.33Å; M301-A305 VanDerWaalsContact O-N 3.12Å |
| 302 | A | 47.6 | Very low | 46.7 | Very low | 19 Ų | 19 | 87.7 Ų | 87.7 | 16% | 0.157 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q298 C299 A305 K306 | Q298-A302 PolarHBondContact O-N 3.02Å; C299-A302 PolarHBondContact O-N 3.24Å; A302-A305 WeakPolarHBondContact O-CB 3.45Å; A302-A305 PolarHBondContact O-N 3.03Å; A302-K306 PolarHBondContact O-N 3.14Å; A302-K306 VanDerWaalsContact O-N 3.09Å |
| 303 | N | 48.3 | Very low | 47.4 | Very low | 75 Ų | 75 | 86.2 Ų | 86.2 | 40% | 0.401 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.5 | -39.7 | 177.2 | -78.8 | -62.6 | 0 | 0 | 0 | 112.6 | C299 F300 A305 K306 E307 | C299-N303 WeakPolarHBondContact O-CB 3.03Å; C299-N303 PolarHBondContact O-N 2.82Å; C299-N303 PolarHBondContact O-ND2 3.33Å; F300-N303 PolarHBondContact O-N 2.82Å; N303-A305 VanDerWaalsContact C-N 3.32Å; N303-A305 PolarHBondContact O-N 3.42Å; N303-K306 WeakPolarHBondContact O-CA 3.34Å; N303-K306 WeakPolarHBondContact O-CB 3.26Å; N303-K306 PolarHBondContact O-N 2.95Å; N303-E307 PolarHBondContact O-N 2.79Å |
| 304 | K | 46.2 | Very low | 47.5 | Very low | 114 Ų | 114 | 92.6 Ų | 92.6 | 50% | 0.496 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.8 | -39 | 172.7 | -96 | -164.8 | 169.5 | -168.3 | 0 | 113 | F300 M301 K306 E307 V308 | F300-K304 HydrophobicContact CE1-CD 3.89Å; F300-K304 HydrophobicContact CE1-CG 4.31Å; F300-K304 HydrophobicContact CZ-CD 4.26Å; F300-K304 HydrophobicContact CZ-CG 4.44Å; F300-K304 PolarHBondContact O-N 3.35Å; M301-K304 PolarHBondContact O-N 2.95Å; K304-K306 VanDerWaalsContact C-N 3.28Å; K304-K306 PolarHBondContact O-N 3.03Å; K304-E307 PolarHBondContact O-N 2.94Å; K304-V308 WeakPolarHBondContact O-CG2 3.44Å; K304-V308 PolarHBondContact O-N 3.28Å; K304-V308 VanDerWaalsContact O-N 3.14Å |
| 305 | A | 48.9 | Very low | 47.6 | Very low | 28 Ų | 28 | 94.6 Ų | 94.6 | 23% | 0.231 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -62.7 | -37 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | M301 A302 N303 Y309 | M301-A305 PolarHBondContact O-N 3.33Å; M301-A305 VanDerWaalsContact O-N 3.12Å; A302-A305 WeakPolarHBondContact O-CB 3.45Å; A302-A305 PolarHBondContact O-N 3.03Å; N303-A305 VanDerWaalsContact C-N 3.32Å; N303-A305 PolarHBondContact O-N 3.42Å; A305-Y309 WeakPolarHBondContact O-CB 3.48Å; A305-Y309 PolarHBondContact O-N 2.85Å |
| 306 | K | 48.1 | Very low | 47.1 | Very low | 129 Ų | 129 | 100.3 Ų | 100.3 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.9 | -40 | 177 | -158.1 | 173.1 | -174.4 | 172.2 | 0 | 112.9 | A302 N303 K304 Y309 H310 | A302-K306 PolarHBondContact O-N 3.14Å; A302-K306 VanDerWaalsContact O-N 3.09Å; N303-K306 WeakPolarHBondContact O-CA 3.34Å; N303-K306 WeakPolarHBondContact O-CB 3.26Å; N303-K306 PolarHBondContact O-N 2.95Å; K304-K306 VanDerWaalsContact C-N 3.28Å; K304-K306 PolarHBondContact O-N 3.03Å; K306-Y309 PolarHBondContact O-N 2.75Å; K306-H310 PolarHBondContact O-N 3.41Å |
| 307 | E | 46 | Very low | 47.3 | Very low | 133 Ų | 133 | 101.8 Ų | 101.8 | 62% | 0.621 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.3 | -46.6 | 173.9 | -71.9 | 177.5 | 162.8 | 0 | 0 | 111.9 | N303 K304 Y309 H310 A311 | N303-E307 PolarHBondContact O-N 2.79Å; K304-E307 PolarHBondContact O-N 2.94Å; E307-Y309 VanDerWaalsContact C-N 3.32Å; E307-Y309 PolarHBondContact O-N 3.37Å; E307-H310 PolarHBondContact O-N 3.16Å; E307-A311 PolarHBondContact O-N 3.46Å |
| 308 | V | 49 | Very low | 47.1 | Very low | 83 Ų | 83 | 100.9 Ų | 100.9 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.1 | -37.4 | 176.8 | 174.3 | 0 | 0 | 0 | 0 | 111.5 | K304 A311 L312 | K304-V308 WeakPolarHBondContact O-CG2 3.44Å; K304-V308 PolarHBondContact O-N 3.28Å; K304-V308 VanDerWaalsContact O-N 3.14Å; V308-A311 PolarHBondContact O-N 3.05Å; V308-L312 HydrophobicContact CG1-CD1 3.97Å; V308-L312 WeakPolarHBondContact O-CG 3.4Å; V308-L312 PolarHBondContact O-N 3.49Å |
| 309 | Y | 44.2 | Very low | 46.9 | Very low | 100 Ų | 100 | 103.8 Ų | 103.8 | 39% | 0.392 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.3 | -39.5 | 176.4 | -174.5 | -102.8 | 0 | 0 | 0 | 112.8 | A305 K306 E307 I313 | A305-Y309 WeakPolarHBondContact O-CB 3.48Å; A305-Y309 PolarHBondContact O-N 2.85Å; K306-Y309 PolarHBondContact O-N 2.75Å; E307-Y309 VanDerWaalsContact C-N 3.32Å; E307-Y309 PolarHBondContact O-N 3.37Å; Y309-I313 HydrophobicContact CD1-CD1 3.96Å; Y309-I313 HydrophobicContact CE1-CD1 3.36Å; Y309-I313 HydrophobicContact CE1-CG1 4.49Å; Y309-I313 HydrophobicContact CE2-CD1 4.21Å; Y309-I313 PolarHBondContact O-N 2.82Å |
| 310 | H | 46.4 | Very low | 46.9 | Very low | 109 Ų | 109 | 106.9 Ų | 106.9 | 51% | 0.505 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 171.1 | -100.5 | -140 | 0 | 0 | 0 | 111.4 | K306 E307 L312 I313 Y314 | K306-H310 PolarHBondContact O-N 3.41Å; E307-H310 PolarHBondContact O-N 3.16Å; H310-L312 PolarHBondContact O-N 3.5Å; H310-I313 PolarHBondContact O-N 3.26Å; H310-Y314 VanDerWaalsContact O-CD2 3.26Å; H310-Y314 WeakPolarHBondContact O-CD2 3.15Å; H310-Y314 PolarHBondContact O-N 3.37Å |
| 311 | A | 45.8 | Very low | 47.1 | Very low | 52 Ų | 52 | 106.6 Ų | 106.6 | 43% | 0.43 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57.2 | -46.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E307 V308 I313 Y314 E315 | E307-A311 PolarHBondContact O-N 3.46Å; V308-A311 PolarHBondContact O-N 3.05Å; A311-I313 VanDerWaalsContact C-N 3.31Å; A311-I313 PolarHBondContact O-N 3.24Å; A311-Y314 PolarHBondContact O-N 3.16Å; A311-E315 PolarHBondContact O-N 2.66Å |
| 312 | L | 45.1 | Very low | 47 | Very low | 96 Ų | 96 | 106.1 Ų | 106.1 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.7 | -22.1 | -179.5 | -74.9 | 166.2 | 0 | 0 | 0 | 114.6 | V308 H310 | V308-L312 HydrophobicContact CG1-CD1 3.97Å; V308-L312 WeakPolarHBondContact O-CG 3.4Å; V308-L312 PolarHBondContact O-N 3.49Å; H310-L312 PolarHBondContact O-N 3.5Å |
| 313 | I | 53.7 | Low | 47 | Very low | 86 Ų | 86 | 112.3 Ų | 112.3 | 44% | 0.441 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -82 | -23.3 | 174.4 | -76.8 | -179.4 | 0 | 0 | 0 | 112.3 | Y309 H310 A311 | Y309-I313 HydrophobicContact CD1-CD1 3.96Å; Y309-I313 HydrophobicContact CE1-CD1 3.36Å; Y309-I313 HydrophobicContact CE1-CG1 4.49Å; Y309-I313 HydrophobicContact CE2-CD1 4.21Å; Y309-I313 PolarHBondContact O-N 2.82Å; H310-I313 PolarHBondContact O-N 3.26Å; A311-I313 VanDerWaalsContact C-N 3.31Å; A311-I313 PolarHBondContact O-N 3.24Å |
| 314 | Y | 47.7 | Very low | 46.9 | Very low | 192 Ų | 192 | 115.2 Ų | 115.2 | 75% | 0.753 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -93 | -0.7 | 175.8 | -73.6 | -72 | 0 | 0 | 0 | 113.8 | H310 A311 | H310-Y314 VanDerWaalsContact O-CD2 3.26Å; H310-Y314 WeakPolarHBondContact O-CD2 3.15Å; H310-Y314 PolarHBondContact O-N 3.37Å; A311-Y314 PolarHBondContact O-N 3.16Å |
| 315 | E | 47.2 | Very low | 46.9 | Very low | 165 Ų | 165 | 115.3 Ų | 115.3 | 77% | 0.771 | 57% | 0.568 | S | S | * | * | trans | -110.6 | 9.5 | 175.5 | -68.8 | -169.6 | 162.8 | 0 | 0 | 114.1 | A311 | A311-E315 PolarHBondContact O-N 2.66Š| ||
| 316 | L | 41.1 | Very low | 46.7 | Very low | 210 Ų | 210 | 123.2 Ų | 123.2 | 100% | 1.099 | 60% | 0.598 | S | S | * | * | trans | -125.6 | 0 | 176.7 | -71.9 | 176.2 | 0 | 0 | 0 | 112.5 |
Retrieved 316 of 316 residues in 59.5 ms
(Link to these results)