| 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 | 53.2 | Low | 57.4 | Low | 242 Ų | 242 | 149 Ų | 149 | 100% | 1.192 | 82% | 0.82 | S | S | * | * | 0 | 125.6 | 0 | -69.3 | 167.1 | 78.8 | 0 | 0 | 108.9 | |||||
| 2 | K | 48 | Very low | 57.5 | Low | 216 Ų | 216 | 149 Ų | 149 | 94% | 0.939 | 82% | 0.817 | S | S | * | * | trans | -163 | 100.8 | 139.9 | -103.4 | 173.8 | -170.7 | -173.9 | 0 | 106.6 | ||||
| 3 | A | 54.2 | Low | 57.6 | Low | 81 Ų | 81 | 145 Ų | 145 | 67% | 0.669 | 81% | 0.806 | S | S | * | * | trans | -82.4 | 152.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 4 | L | 53.6 | Low | 57.8 | Low | 150 Ų | 150 | 143.6 Ų | 143.6 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | 65.8 | 123.4 | 145.6 | -61.4 | 150.1 | 0 | 0 | 0 | 117.4 | ||||
| 5 | L | 56.6 | Low | 57.7 | Low | 150 Ų | 150 | 141.9 Ų | 141.9 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | 177.5 | 99.8 | 98.7 | -88.6 | 159.9 | 0 | 0 | 0 | 108.9 | L7 | L5-L7 PolarHBondContact O-N 2.86Š| |||
| 6 | T | 59.3 | Low | 58.2 | Low | 144 Ų | 144 | 136.4 Ų | 136.4 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | trans | -63.7 | 87.4 | 154.9 | 44.5 | 0 | 0 | 0 | 0 | 107.9 | G8 | T6-G8 PolarHBondContact O-N 2.95Š| ||
| 7 | L | 60 | Low | 59 | Low | 159 Ų | 159 | 138.1 Ų | 138.1 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -84.9 | 92.6 | 168.2 | -162.9 | 70 | 0 | 0 | 0 | 107.3 | L5 L9 | L5-L7 PolarHBondContact O-N 2.86Å; L7-L9 PolarHBondContact O-N 2.83Å | ||
| 8 | G | 59.6 | Low | 60.1 | Low | 65 Ų | 65 | 132.2 Ų | 132.2 | 67% | 0.67 | 75% | 0.747 | S | S | * | * | trans | -54.3 | 111.5 | 169 | 0 | 0 | 0 | 0 | 0 | 109.1 | T6 L10 | T6-G8 PolarHBondContact O-N 2.95Å; G8-L10 PolarHBondContact O-N 3.25Å | ||
| 9 | L | 64 | Low | 61.9 | Low | 146 Ų | 146 | 128.6 Ų | 128.6 | 76% | 0.764 | 72% | 0.722 | S | S | * | * | trans | -70.5 | 85.5 | 171 | -169.9 | 74 | 0 | 0 | 0 | 107.1 | L7 L11 | L7-L9 PolarHBondContact O-N 2.83Å; L9-L11 HydrophobicContact CD2-CD1 4.33Å; L9-L11 HydrophobicContact CD2-CD2 4.08Å; L9-L11 HydrophobicContact CD2-CG 3.94Å; L9-L11 HydrophobicContact CG-CD2 4.42Å; L9-L11 HydrophobicContact CG-CG 4.1Å; L9-L11 PolarHBondContact O-N 3.05Å | ||
| 10 | L | 61.4 | Low | 63.7 | Low | 152 Ų | 152 | 126 Ų | 126 | 80% | 0.796 | 71% | 0.709 | S | S | * | * | trans | -66.6 | 85.2 | 164.9 | -144.7 | 90.6 | 0 | 0 | 0 | 105.8 | G8 L12 | G8-L10 PolarHBondContact O-N 3.25Å; L10-L12 PolarHBondContact O-N 2.81Å | ||
| 11 | L | 61.6 | Low | 65.3 | Low | 134 Ų | 134 | 121 Ų | 121 | 70% | 0.702 | 68% | 0.679 | S | S | * | * | trans | -59.5 | 96.2 | 166.4 | -77.8 | 161.8 | 0 | 0 | 0 | 105.5 | L9 S13 | L9-L11 HydrophobicContact CD2-CD1 4.33Å; L9-L11 HydrophobicContact CD2-CD2 4.08Å; L9-L11 HydrophobicContact CD2-CG 3.94Å; L9-L11 HydrophobicContact CG-CD2 4.42Å; L9-L11 HydrophobicContact CG-CG 4.1Å; L9-L11 PolarHBondContact O-N 3.05Å; L11-S13 PolarHBondContact O-N 3.08Å | ||
| 12 | L | 58 | Low | 67.5 | Low | 149 Ų | 149 | 113.8 Ų | 113.8 | 78% | 0.78 | 65% | 0.646 | S | S | * | * | trans | -60.7 | 83.3 | 157.9 | -73.8 | 162 | 0 | 0 | 0 | 105.3 | L10 V14 | L10-L12 PolarHBondContact O-N 2.81Å; L12-V14 PolarHBondContact O-N 2.57Å | ||
| 13 | S | 58.7 | Low | 69.9 | Low | 97 Ų | 97 | 107.1 Ų | 107.1 | 68% | 0.678 | 62% | 0.615 | S | S | * | * | trans | -60.8 | 88.8 | 157.6 | 26.9 | 0 | 0 | 0 | 0 | 104.7 | L11 T15 | L11-S13 PolarHBondContact O-N 3.08Å; S13-T15 PolarHBondContact O-N 3.06Å | ||
| 14 | V | 60.5 | Low | 72 | Confident | 126 Ų | 126 | 104.1 Ų | 104.1 | 76% | 0.764 | 59% | 0.588 | S | S | * | * | trans | -59 | 89.8 | 157.4 | 178.1 | 0 | 0 | 0 | 0 | 103.4 | L12 A16 | L12-V14 PolarHBondContact O-N 2.57Å; V14-A16 PolarHBondContact O-N 3.47Å | ||
| 15 | T | 56.9 | Low | 74.2 | Confident | 117 Ų | 117 | 99.6 Ų | 99.6 | 72% | 0.718 | 56% | 0.563 | S | S | * | * | trans | -64 | 88.9 | 164.1 | 51.8 | 0 | 0 | 0 | 0 | 103.3 | S13 Q17 | S13-T15 PolarHBondContact O-N 3.06Å; T15-Q17 PolarHBondContact O-N 3.25Å | ||
| 16 | A | 65.1 | Low | 76.2 | Confident | 54 Ų | 54 | 92.5 Ų | 92.5 | 45% | 0.446 | 53% | 0.526 | S | S | . | . | trans | -63 | 93 | 170.8 | 0 | 0 | 0 | 0 | 0 | 103.7 | V14 R59 | V14-A16 PolarHBondContact O-N 3.47Å; A16-R59 PolarHBondContact O-NH1 3.44Å | ||
| 17 | Q | 72 | Confident | 78 | Confident | 165 Ų | 165 | 85.6 Ų | 85.6 | 77% | 0.771 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 136.8 | 178.2 | -170 | 168.5 | -8.5 | 0 | 0 | 106.9 | T15 K19 R59 | T15-Q17 PolarHBondContact O-N 3.25Å; Q17-K19 PolarHBondContact O-N 3.35Å; Q17-R59 PolarHBondContact O-NH2 3.07Å |
| 18 | A | 78.9 | Confident | 79.9 | Confident | 32 Ų | 32 | 83.1 Ų | 83.1 | 26% | 0.264 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 128.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | V20 N57 R59 | A18-V20 PolarHBondContact O-N 2.9Å; A18-N57 WeakPolarHBondContact CB-OD1 3.34Å; A18-R59 HydrophobicContact CB-CB 3.72Å; A18-R59 HydrophobicContact CB-CG 3.64Å |
| 19 | K | 94.8 | Very high | 81.8 | Confident | 65 Ų | 65 | 81 Ų | 81 | 28% | 0.283 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 118.6 | 171 | 174.8 | 63.3 | 172.5 | 174.9 | 0 | 109.3 | Q17 Y21 E25 T58 D105 | Q17-K19 PolarHBondContact O-N 3.35Å; K19-Y21 VanDerWaalsContact CE-CE1 3.49Å; K19-Y21 HydrophobicContact CG-CD2 3.88Å; K19-Y21 HydrophobicContact CG-CE1 4.4Å; K19-Y21 HydrophobicContact CG-CE2 3.61Å; K19-Y21 HydrophobicContact CG-CG 4.42Å; K19-E25 VanDerWaalsContact CE-OE1 3.3Å; K19-E25 WeakPolarHBondContact CE-OE1 3.43Å; K19-E25 VanDerWaalsContact NZ-CD 3.27Å; K19-E25 IonicContact NZ-OE1 2.86Å; K19-E25 PolarHBondContact NZ-OE1 3.44Å; K19-E25 IonicContact NZ-OE2 3.33Å; K19-E25 PolarHBondContact NZ-OE2 3.27Å; K19-T58 HydrophobicContact CB-CG2 4Å; K19-T58 HydrophobicContact CG-CG2 4.18Å; K19-T58 PolarHBondContact N-OG1 2.99Å; K19-T58 WeakPolarHBondContact O-CG2 3.29Å; K19-T58 PolarHBondContact O-N 3.42Å; K19-T58 PolarHBondContact O-OG1 3.25Å; K19-T58 VanDerWaalsContact O-OG1 3.05Å; K19-D105 HydrophobicContact CB-CB 3.74Å; K19-D105 WeakPolarHBondContact CB-OD1 3.47Å; K19-D105 HydrophobicContact CG-CB 4.42Å; K19-D105 PolarHBondContact N-OD1 2.88Å; K19-D105 VanDerWaalsContact N-OD1 3.13Å |
| 20 | V | 97.8 | Very high | 83.4 | Confident | 76 Ų | 76 | 74.1 Ų | 74.1 | 46% | 0.461 | 40% | 0.4 | S | S | . | . | B | Isolated β-bridge | trans | -102.7 | 113.1 | 164.7 | -176 | 0 | 0 | 0 | 0 | 107.1 | A18 N57 | A18-V20 PolarHBondContact O-N 2.9Å; V20-N57 HydrophobicContact CG2-CB 4.15Å |
| 21 | Y | 98.2 | Very high | 85.2 | Confident | 21 Ų | 21 | 71.3 Ų | 71.3 | 8% | 0.082 | 38% | 0.382 | C | S | . | . | trans | -71.3 | 141.8 | 175.8 | -77.8 | -84.7 | 0 | 0 | 0 | 110 | K19 E25 L26 I29 Y56 T58 I74 D105 I107 | K19-Y21 VanDerWaalsContact CE-CE1 3.49Å; K19-Y21 HydrophobicContact CG-CD2 3.88Å; K19-Y21 HydrophobicContact CG-CE1 4.4Å; K19-Y21 HydrophobicContact CG-CE2 3.61Å; K19-Y21 HydrophobicContact CG-CG 4.42Å; Y21-E25 HydrophobicContact CD1-CB 4.29Å; Y21-E25 HydrophobicContact CD1-CG 3.68Å; Y21-E25 HydrophobicContact CE1-CG 4.09Å; Y21-L26 HydrophobicContact CG-CB 4.47Å; Y21-I29 HydrophobicContact CD1-CD1 3.8Å; Y21-I29 HydrophobicContact CE1-CD1 3.12Å; Y21-Y56 PolarHBondContact N-O 3.1Å; Y21-Y56 WeakPolarHBondContact O-CB 3.42Å; Y21-Y56 WeakPolarHBondContact O-CD2 3.47Å; Y21-T58 HydrophobicContact CD2-CG2 3.83Å; Y21-T58 HydrophobicContact CE2-CG2 3.5Å; Y21-I74 HydrophobicContact CD2-CD1 3.82Å; Y21-D105 PolarHBondContact OH-O 3.3Å; Y21-I107 HydrophobicContact CE2-CD1 4.35Å; Y21-I107 HydrophobicContact CE2-CG1 4.45Å; Y21-I107 HydrophobicContact CE2-CG2 3.8Å | ||
| 22 | N | 98 | Very high | 87 | Confident | 91 Ų | 91 | 73.4 Ų | 73.4 | 49% | 0.487 | 38% | 0.38 | S | S | . | . | trans | -78.2 | 157.2 | 160.4 | 71.8 | 71.6 | 0 | 0 | 0 | 109.8 | C24 E25 L26 | N22-C24 PolarHBondContact O-N 3.24Å; N22-C24 PolarHBondContact OD1-N 2.87Å; N22-E25 WeakPolarHBondContact ND2-CB 3.4Å; N22-E25 PolarHBondContact ND2-OE2 3.25Å; N22-E25 PolarHBondContact O-N 2.05Å; N22-E25 WeakPolarHBondContact OD1-CB 3.34Å; N22-E25 PolarHBondContact OD1-N 3.11Å; N22-L26 PolarHBondContact O-N 3.25Å | ||
| 23 | R | 98.5 | Very high | 88.9 | Confident | 75 Ų | 75 | 68.7 Ų | 68.7 | 28% | 0.283 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -49.6 | -49.7 | -176.2 | -177.1 | 178.4 | 63.6 | 76.2 | -3 | 114 | A27 V47 Y56 Q141 Y142 R144 C146 | R23-A27 WeakPolarHBondContact O-CB 3.31Å; R23-A27 PolarHBondContact O-N 3.16Å; R23-V47 HydrophobicContact CG-CG1 3.8Å; R23-Y56 HydrophobicContact CB-CE2 4.09Å; R23-Q141 PolarHBondContact NH1-O 2.84Å; R23-Q141 VanDerWaalsContact NH1-O 3.16Å; R23-Y142 WeakPolarHBondContact CD-O 3.29Å; R23-Y142 WeakPolarHBondContact CG-O 3.18Å; R23-Y142 VanDerWaalsContact NH1-C 3.3Å; R23-Y142 PolarHBondContact NH1-O 3.03Å; R23-R144 PolarHBondContact NH1-O 3.08Å; R23-R144 PolarHBondContact NH2-O 2.85Å; R23-C146 PolarHBondContact NH1-SG 2.86Å |
| 24 | C | 98.8 | Very high | 90.8 | Very high | 18 Ų | 18 | 65.9 Ų | 65.9 | 12% | 0.122 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -77 | -32.6 | -176.1 | -72.4 | 0 | 0 | 0 | 0 | 113.4 | N22 A27 R28 C146 | N22-C24 PolarHBondContact O-N 3.24Å; N22-C24 PolarHBondContact OD1-N 2.87Å; C24-A27 PolarHBondContact O-N 3.47Å; C24-R28 VanDerWaalsContact O-CG 3.31Å; C24-R28 WeakPolarHBondContact O-CG 3.05Å; C24-R28 PolarHBondContact O-N 3.35Å; C24-R28 VanDerWaalsContact O-N 3.07Å; C24-C146 WeakPolarHBondContact CA-SG 3.47Å; C24-C146 HydrophobicContact CB-CB 3.64Å; C24-C146 WeakPolarHBondContact CB-SG 3.25Å; C24-C146 WeakPolarHBondContact SG-CA 3.46Å; C24-C146 WeakPolarHBondContact SG-CB 3.47Å; C24-C146 CovalentContact SG-SG 2.05Å; C24-C146 PolarHBondContact SG-SG 2.69Å |
| 25 | E | 98.6 | Very high | 92.6 | Very high | 56 Ų | 56 | 59.9 Ų | 59.9 | 26% | 0.262 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.7 | -49 | 171.1 | -174.2 | -172.4 | -176 | 0 | 0 | 110.4 | K19 Y21 N22 R28 I29 | K19-E25 VanDerWaalsContact CE-OE1 3.3Å; K19-E25 WeakPolarHBondContact CE-OE1 3.43Å; K19-E25 VanDerWaalsContact NZ-CD 3.27Å; K19-E25 IonicContact NZ-OE1 2.86Å; K19-E25 PolarHBondContact NZ-OE1 3.44Å; K19-E25 IonicContact NZ-OE2 3.33Å; K19-E25 PolarHBondContact NZ-OE2 3.27Å; Y21-E25 HydrophobicContact CD1-CB 4.29Å; Y21-E25 HydrophobicContact CD1-CG 3.68Å; Y21-E25 HydrophobicContact CE1-CG 4.09Å; N22-E25 WeakPolarHBondContact ND2-CB 3.4Å; N22-E25 PolarHBondContact ND2-OE2 3.25Å; N22-E25 PolarHBondContact O-N 2.05Å; N22-E25 WeakPolarHBondContact OD1-CB 3.34Å; N22-E25 PolarHBondContact OD1-N 3.11Å; E25-R28 PolarHBondContact O-N 2.93Å; E25-I29 HydrophobicContact CG-CD1 4.15Å; E25-I29 WeakPolarHBondContact O-CG1 3.3Å; E25-I29 PolarHBondContact O-N 3.01Å |
| 26 | L | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.5 | -49 | 176.3 | -176.8 | 60.9 | 0 | 0 | 0 | 111.4 | Y21 N22 R28 I29 L30 A50 Y56 I74 I107 | Y21-L26 HydrophobicContact CG-CB 4.47Å; N22-L26 PolarHBondContact O-N 3.25Å; L26-R28 VanDerWaalsContact C-N 3.27Å; L26-R28 PolarHBondContact O-N 3.01Å; L26-I29 PolarHBondContact O-N 3.24Å; L26-I29 VanDerWaalsContact O-N 3.08Å; L26-L30 HydrophobicContact CD1-CD1 4.04Å; L26-L30 HydrophobicContact CD1-CD2 4.16Å; L26-L30 HydrophobicContact CD1-CG 3.89Å; L26-L30 HydrophobicContact CD2-CD1 4.32Å; L26-L30 HydrophobicContact CG-CD1 3.76Å; L26-L30 HydrophobicContact CG-CG 4.06Å; L26-L30 VanDerWaalsContact O-CG 3.27Å; L26-L30 WeakPolarHBondContact O-CG 3.36Å; L26-L30 PolarHBondContact O-N 2.74Å; L26-A50 HydrophobicContact CD2-CB 3.57Å; L26-Y56 HydrophobicContact CD2-CD1 3.34Å; L26-Y56 HydrophobicContact CD2-CE1 3.73Å; L26-Y56 HydrophobicContact CD2-CG 4.25Å; L26-I74 HydrophobicContact CD1-CD1 3.77Å; L26-I74 HydrophobicContact CD2-CD1 3.98Å; L26-I107 HydrophobicContact CD1-CD1 3.54Å |
| 27 | A | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -54 | -43.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R23 C24 K31 L43 V47 I143 C146 V148 | R23-A27 WeakPolarHBondContact O-CB 3.31Å; R23-A27 PolarHBondContact O-N 3.16Å; C24-A27 PolarHBondContact O-N 3.47Å; A27-K31 WeakPolarHBondContact O-CB 3.39Å; A27-K31 PolarHBondContact O-N 3.34Å; A27-L43 HydrophobicContact CB-CD2 4.43Å; A27-L43 WeakPolarHBondContact O-CD1 3.35Å; A27-V47 HydrophobicContact CB-CG2 3.87Å; A27-I143 HydrophobicContact CB-CG2 4.5Å; A27-C146 HydrophobicContact CB-CB 4.48Å; A27-V148 HydrophobicContact CB-CG2 4.31Å |
| 28 | R | 98.8 | Very high | 97.5 | Very high | 107 Ų | 107 | 52.2 Ų | 52.2 | 40% | 0.404 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67 | -41.4 | 177.5 | -68.8 | 174.7 | -166.9 | 130.3 | -0.9 | 112.3 | C24 E25 L26 K31 R32 C146 V148 | C24-R28 VanDerWaalsContact O-CG 3.31Å; C24-R28 WeakPolarHBondContact O-CG 3.05Å; C24-R28 PolarHBondContact O-N 3.35Å; C24-R28 VanDerWaalsContact O-N 3.07Å; E25-R28 PolarHBondContact O-N 2.93Å; L26-R28 VanDerWaalsContact C-N 3.27Å; L26-R28 PolarHBondContact O-N 3.01Å; R28-K31 PolarHBondContact O-N 3.23Å; R28-R32 WeakPolarHBondContact O-CB 3.3Å; R28-R32 WeakPolarHBondContact O-CG 3.42Å; R28-R32 PolarHBondContact O-N 2.75Å; R28-C146 VanDerWaalsContact CZ-O 3.25Å; R28-C146 PolarHBondContact NE-O 2.6Å; R28-C146 PolarHBondContact NH2-O 3.12Å; R28-V148 HydrophobicContact CB-CG1 4.34Å; R28-V148 HydrophobicContact CG-CG1 3.55Å |
| 29 | I | 98.6 | Very high | 98.4 | Very high | 21 Ų | 21 | 59 Ų | 59 | 11% | 0.108 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.6 | -46.5 | 177.2 | -71.5 | 166.6 | 0 | 0 | 0 | 110.7 | Y21 E25 L26 R32 N33 I107 I111 | Y21-I29 HydrophobicContact CD1-CD1 3.8Å; Y21-I29 HydrophobicContact CE1-CD1 3.12Å; E25-I29 HydrophobicContact CG-CD1 4.15Å; E25-I29 WeakPolarHBondContact O-CG1 3.3Å; E25-I29 PolarHBondContact O-N 3.01Å; L26-I29 PolarHBondContact O-N 3.24Å; L26-I29 VanDerWaalsContact O-N 3.08Å; I29-R32 PolarHBondContact O-N 2.77Å; I29-N33 WeakPolarHBondContact O-CB 3.44Å; I29-N33 PolarHBondContact O-N 2.75Å; I29-N33 PolarHBondContact O-ND2 2.69Å; I29-I107 HydrophobicContact CG2-CD1 3.89Å; I29-I107 HydrophobicContact CG2-CG1 4.08Å; I29-I111 HydrophobicContact CG2-CD1 4.11Å |
| 30 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 178.8 | -65.1 | 177.5 | 0 | 0 | 0 | 111.5 | L26 N33 G34 M35 L43 W46 V47 F75 I111 | L26-L30 HydrophobicContact CD1-CD1 4.04Å; L26-L30 HydrophobicContact CD1-CD2 4.16Å; L26-L30 HydrophobicContact CD1-CG 3.89Å; L26-L30 HydrophobicContact CD2-CD1 4.32Å; L26-L30 HydrophobicContact CG-CD1 3.76Å; L26-L30 HydrophobicContact CG-CG 4.06Å; L26-L30 VanDerWaalsContact O-CG 3.27Å; L26-L30 WeakPolarHBondContact O-CG 3.36Å; L26-L30 PolarHBondContact O-N 2.74Å; L30-N33 CarbonylContact O-C 3.49Å; L30-N33 PolarHBondContact O-N 2.71Å; L30-G34 PolarHBondContact O-N 3.45Å; L30-M35 HydrophobicContact CB-CB 4.04Å; L30-M35 HydrophobicContact CB-CG 4.3Å; L30-M35 HydrophobicContact CD2-CE 4.4Å; L30-M35 HydrophobicContact CD2-CG 4.1Å; L30-M35 VanDerWaalsContact O-CB 3.3Å; L30-M35 WeakPolarHBondContact O-CB 3.1Å; L30-M35 PolarHBondContact O-N 3.35Å; L30-L43 HydrophobicContact CB-CD1 3.62Å; L30-L43 HydrophobicContact CD1-CD1 4.43Å; L30-W46 HydrophobicContact CD1-CB 3.74Å; L30-V47 HydrophobicContact CD1-CG2 3.95Å; L30-F75 HydrophobicContact CD2-CE1 4.42Å; L30-F75 HydrophobicContact CD2-CZ 3.71Å; L30-I111 HydrophobicContact CD2-CD1 3.97Å; L30-I111 HydrophobicContact CD2-CG1 3.96Å |
| 31 | K | 98.8 | Very high | 98.6 | Very high | 93 Ų | 93 | 56 Ų | 56 | 40% | 0.404 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.5 | -48.5 | 176.1 | -172.4 | 170.1 | -177.7 | 177.8 | 0 | 111.8 | A27 R28 N33 G34 L43 V148 | A27-K31 WeakPolarHBondContact O-CB 3.39Å; A27-K31 PolarHBondContact O-N 3.34Å; R28-K31 PolarHBondContact O-N 3.23Å; K31-N33 PolarHBondContact O-N 3.44Å; K31-G34 PolarHBondContact O-N 3.23Å; K31-L43 HydrophobicContact CB-CD1 4.34Å; K31-L43 HydrophobicContact CB-CD2 4.01Å; K31-L43 HydrophobicContact CD-CD2 4.36Å; K31-V148 HydrophobicContact CD-CB 3.83Å; K31-V148 HydrophobicContact CD-CG1 4.25Å; K31-V148 WeakPolarHBondContact CD-OXT 3.28Å; K31-V148 PolarHBondContact NZ-OXT 2.75Å |
| 32 | R | 98.6 | Very high | 98.6 | Very high | 178 Ų | 178 | 61.8 Ų | 61.8 | 67% | 0.672 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -59.1 | -32.4 | 177.1 | -76.2 | -167.5 | -58.1 | -97.9 | 3.7 | 113 | R28 I29 G34 | R28-R32 WeakPolarHBondContact O-CB 3.3Å; R28-R32 WeakPolarHBondContact O-CG 3.42Å; R28-R32 PolarHBondContact O-N 2.75Å; I29-R32 PolarHBondContact O-N 2.77Å; R32-G34 VanDerWaalsContact C-N 3.26Å; R32-G34 PolarHBondContact O-N 3Å |
| 33 | N | 98.7 | Very high | 98.6 | Very high | 50 Ų | 50 | 57.6 Ų | 57.6 | 27% | 0.267 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 12.9 | 176.8 | -76.7 | -83.9 | 0 | 0 | 0 | 113.4 | I29 L30 K31 M35 I111 K115 | I29-N33 WeakPolarHBondContact O-CB 3.44Å; I29-N33 PolarHBondContact O-N 2.75Å; I29-N33 PolarHBondContact O-ND2 2.69Å; L30-N33 CarbonylContact O-C 3.49Å; L30-N33 PolarHBondContact O-N 2.71Å; K31-N33 PolarHBondContact O-N 3.44Å; N33-M35 PolarHBondContact O-N 3.29Å; N33-I111 HydrophobicContact CB-CD1 3.9Å; N33-I111 HydrophobicContact CB-CG2 4.04Å; N33-K115 WeakPolarHBondContact O-CE 3.3Å; N33-K115 PolarHBondContact O-NZ 2.95Å |
| 34 | G | 98.5 | Very high | 98.7 | Very high | 39 Ų | 39 | 54.5 Ų | 54.5 | 40% | 0.402 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 38.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L30 K31 R32 K115 | L30-G34 PolarHBondContact O-N 3.45Å; K31-G34 PolarHBondContact O-N 3.23Å; R32-G34 VanDerWaalsContact C-N 3.26Å; R32-G34 PolarHBondContact O-N 3Å; G34-K115 WeakPolarHBondContact O-CE 3.46Å; G34-K115 PolarHBondContact O-NZ 3.29Å |
| 35 | M | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -85.7 | -26.8 | 173.2 | -69.8 | -73.1 | -84.7 | 0 | 0 | 112.5 | L30 N33 G37 Y38 W46 F75 I111 A114 K115 | L30-M35 HydrophobicContact CB-CB 4.04Å; L30-M35 HydrophobicContact CB-CG 4.3Å; L30-M35 HydrophobicContact CD2-CE 4.4Å; L30-M35 HydrophobicContact CD2-CG 4.1Å; L30-M35 VanDerWaalsContact O-CB 3.3Å; L30-M35 WeakPolarHBondContact O-CB 3.1Å; L30-M35 PolarHBondContact O-N 3.35Å; N33-M35 PolarHBondContact O-N 3.29Å; M35-G37 PolarHBondContact O-N 3.39Å; M35-Y38 PolarHBondContact O-N 2.87Å; M35-W46 HydrophobicContact CB-CG 4.46Å; M35-W46 HydrophobicContact CE-CD2 3.37Å; M35-W46 HydrophobicContact CE-CE3 3.59Å; M35-W46 HydrophobicContact CE-CG 3.94Å; M35-W46 HydrophobicContact CE-CH2 3.7Å; M35-W46 HydrophobicContact CE-CZ2 3.52Å; M35-W46 HydrophobicContact CE-CZ3 3.76Å; M35-W46 PolarHBondContact O-NE1 3.24Å; M35-W46 HydrophobicContact SD-CZ2 4.25Å; M35-F75 HydrophobicContact CE-CZ 4.31Å; M35-I111 HydrophobicContact CG-CG2 3.9Å; M35-I111 HydrophobicContact SD-CG2 3.76Å; M35-A114 HydrophobicContact CE-CB 4.16Å; M35-K115 HydrophobicContact SD-CD 4.22Å; M35-K115 VanDerWaalsContact SD-CE 3.58Å; M35-K115 HydrophobicContact SD-CG 3.6Å; M35-K115 VanDerWaalsContact SD-CG 3.6Å | ||
| 36 | D | 98.7 | Very high | 98.7 | Very high | 71 Ų | 71 | 52.1 Ų | 52.1 | 38% | 0.38 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 118.9 | 178.7 | -167.7 | 18.8 | 0 | 0 | 0 | 111 | Y38 L43 | D36-Y38 PolarHBondContact O-N 3.02Å; D36-L43 HydrophobicContact CB-CB 3.9Å; D36-L43 WeakPolarHBondContact OD1-CB 3.42Å; D36-L43 PolarHBondContact OD1-N 2.94Å |
| 37 | G | 98.5 | Very high | 98.7 | Very high | 47 Ų | 47 | 52.1 Ų | 52.1 | 49% | 0.485 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | -2.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | M35 R39 G40 V41 | M35-G37 PolarHBondContact O-N 3.39Å; G37-R39 PolarHBondContact O-N 3.33Å; G37-R39 VanDerWaalsContact O-N 3.11Å; G37-G40 PolarHBondContact O-N 2.88Å; G37-V41 VanDerWaalsContact CA-O 3.29Å; G37-V41 WeakPolarHBondContact CA-O 3.5Å; G37-V41 PolarHBondContact N-O 2.63Å |
| 38 | Y | 98.7 | Very high | 98.7 | Very high | 56 Ų | 56 | 52.1 Ų | 52.1 | 22% | 0.22 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -62.8 | 118 | -179.4 | -174.8 | -97 | 0 | 0 | 0 | 110.5 | M35 D36 G40 V41 K115 V118 R119 | M35-Y38 PolarHBondContact O-N 2.87Å; D36-Y38 PolarHBondContact O-N 3.02Å; Y38-G40 PolarHBondContact O-N 2.97Å; Y38-V41 WeakPolarHBondContact O-CB 3.22Å; Y38-V41 PolarHBondContact O-N 3.5Å; Y38-V41 VanDerWaalsContact O-N 3.15Å; Y38-K115 HydrophobicContact CD1-CB 4.17Å; Y38-K115 HydrophobicContact CD1-CD 4.37Å; Y38-K115 HydrophobicContact CD1-CG 3.76Å; Y38-K115 HydrophobicContact CD2-CD 4.22Å; Y38-K115 HydrophobicContact CD2-CG 4.48Å; Y38-K115 HydrophobicContact CE1-CB 3.53Å; Y38-K115 HydrophobicContact CE1-CD 4.21Å; Y38-K115 HydrophobicContact CE1-CG 3.62Å; Y38-K115 WeakPolarHBondContact CE1-O 3.48Å; Y38-K115 HydrophobicContact CE2-CD 4.05Å; Y38-K115 HydrophobicContact CE2-CG 4.37Å; Y38-K115 HydrophobicContact CG-CD 4.38Å; Y38-K115 HydrophobicContact CG-CG 4.2Å; Y38-V118 HydrophobicContact CD1-CG2 3.63Å; Y38-V118 HydrophobicContact CE1-CG2 3.54Å; Y38-R119 PolarHBondContact OH-NE 2.79Å; Y38-R119 VanDerWaalsContact OH-NE 3.11Å |
| 39 | R | 98 | Very high | 98.7 | Very high | 176 Ų | 176 | 47 Ų | 47 | 66% | 0.664 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | 53.7 | 31.3 | -173.3 | -63.6 | -71.6 | -177.2 | 177 | 0.1 | 113.2 | G37 V41 V118 | G37-R39 PolarHBondContact O-N 3.33Å; G37-R39 VanDerWaalsContact O-N 3.11Å; R39-V41 VanDerWaalsContact C-N 3.29Å; R39-V41 PolarHBondContact O-N 2.85Å; R39-V118 HydrophobicContact CB-CG2 4.26Å; R39-V118 HydrophobicContact CG-CG2 4.22Å |
| 40 | G | 98.1 | Very high | 98.7 | Very high | 66 Ų | 66 | 46 Ų | 46 | 68% | 0.68 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | 80 | 3.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | G37 Y38 | G37-G40 PolarHBondContact O-N 2.88Å; Y38-G40 PolarHBondContact O-N 2.97Å |
| 41 | V | 98.7 | Very high | 98.7 | Very high | 10 Ų | 10 | 48.7 Ų | 48.7 | 6% | 0.061 | 25% | 0.254 | C | S | . | . | trans | -84.8 | 124.3 | 176.2 | -177.2 | 0 | 0 | 0 | 0 | 109.7 | G37 Y38 R39 D45 W46 V118 I124 | G37-V41 VanDerWaalsContact CA-O 3.29Å; G37-V41 WeakPolarHBondContact CA-O 3.5Å; G37-V41 PolarHBondContact N-O 2.63Å; Y38-V41 WeakPolarHBondContact O-CB 3.22Å; Y38-V41 PolarHBondContact O-N 3.5Å; Y38-V41 VanDerWaalsContact O-N 3.15Å; R39-V41 VanDerWaalsContact C-N 3.29Å; R39-V41 PolarHBondContact O-N 2.85Å; V41-D45 HydrophobicContact CG1-CB 3.69Å; V41-W46 HydrophobicContact CB-CZ2 4.15Å; V41-W46 HydrophobicContact CG1-CD2 3.97Å; V41-W46 VanDerWaalsContact CG1-CE2 3.47Å; V41-W46 HydrophobicContact CG1-CG 4.16Å; V41-W46 HydrophobicContact CG1-CZ2 3.95Å; V41-W46 VanDerWaalsContact CG1-NE1 3.31Å; V41-W46 HydrophobicContact CG2-CZ2 4.36Å; V41-V118 HydrophobicContact CG2-CG1 4.45Å; V41-I124 HydrophobicContact CG1-CD1 3.4Å; V41-I124 HydrophobicContact CG2-CB 3.95Å; V41-I124 HydrophobicContact CG2-CD1 4.36Å; V41-I124 HydrophobicContact CG2-CG2 4.11Å | ||
| 42 | K | 98.7 | Very high | 98.7 | Very high | 144 Ų | 144 | 47.8 Ų | 47.8 | 63% | 0.626 | 25% | 0.252 | S | S | * | . | trans | -79.4 | 158.6 | -177.8 | -54.6 | 179 | 179 | 178.7 | 0 | 111 | A44 D45 W46 | K42-A44 VanDerWaalsContact C-N 3.26Å; K42-A44 PolarHBondContact O-N 2.98Å; K42-D45 VanDerWaalsContact CB-OD2 3.29Å; K42-D45 WeakPolarHBondContact CB-OD2 3.27Å; K42-D45 PolarHBondContact N-OD2 3.39Å; K42-D45 WeakPolarHBondContact O-CB 3.5Å; K42-D45 PolarHBondContact O-N 2.72Å; K42-D45 VanDerWaalsContact O-N 3.08Å; K42-W46 PolarHBondContact O-N 2.98Å | ||
| 43 | L | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -53.8 | -42.4 | 175.9 | -175.6 | 58.8 | 0 | 0 | 0 | 113.4 | A27 L30 K31 D36 D45 W46 V47 I143 V148 | A27-L43 HydrophobicContact CB-CD2 4.43Å; A27-L43 WeakPolarHBondContact O-CD1 3.35Å; L30-L43 HydrophobicContact CB-CD1 3.62Å; L30-L43 HydrophobicContact CD1-CD1 4.43Å; K31-L43 HydrophobicContact CB-CD1 4.34Å; K31-L43 HydrophobicContact CB-CD2 4.01Å; K31-L43 HydrophobicContact CD-CD2 4.36Å; D36-L43 HydrophobicContact CB-CB 3.9Å; D36-L43 WeakPolarHBondContact OD1-CB 3.42Å; D36-L43 PolarHBondContact OD1-N 2.94Å; L43-D45 VanDerWaalsContact C-N 3.27Å; L43-D45 PolarHBondContact O-N 2.99Å; L43-W46 PolarHBondContact O-N 2.9Å; L43-V47 WeakPolarHBondContact O-CG2 3.44Å; L43-V47 PolarHBondContact O-N 3.16Å; L43-V47 VanDerWaalsContact O-N 3.11Å; L43-I143 HydrophobicContact CB-CG2 4.37Å; L43-I143 HydrophobicContact CD2-CG2 4.01Å; L43-I143 HydrophobicContact CG-CG2 3.9Å; L43-V148 HydrophobicContact CD2-CB 3.75Å; L43-V148 HydrophobicContact CD2-CG1 4.43Å; L43-V148 HydrophobicContact CD2-CG2 3.51Å |
| 44 | A | 98.8 | Very high | 98.7 | Very high | 10 Ų | 10 | 39.6 Ų | 39.6 | 8% | 0.083 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.8 | -31.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | K42 C48 L139 I143 | K42-A44 VanDerWaalsContact C-N 3.26Å; K42-A44 PolarHBondContact O-N 2.98Å; A44-C48 VanDerWaalsContact O-CB 3.24Å; A44-C48 WeakPolarHBondContact O-CB 3.49Å; A44-C48 PolarHBondContact O-N 3.05Å; A44-L139 HydrophobicContact CB-CB 3.7Å; A44-L139 WeakPolarHBondContact CB-O 3.2Å; A44-I143 HydrophobicContact CB-CD1 4.33Å; A44-I143 HydrophobicContact CB-CG1 4.3Å; A44-I143 HydrophobicContact CB-CG2 4.08Å |
| 45 | D | 98.9 | Very high | 98.7 | Very high | 23 Ų | 23 | 42.4 Ų | 42.4 | 12% | 0.123 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.7 | -44.8 | 173.9 | -70.5 | -73.6 | 0 | 0 | 0 | 111.3 | V41 K42 L43 C48 L49 I124 W130 L139 | V41-D45 HydrophobicContact CG1-CB 3.69Å; K42-D45 VanDerWaalsContact CB-OD2 3.29Å; K42-D45 WeakPolarHBondContact CB-OD2 3.27Å; K42-D45 PolarHBondContact N-OD2 3.39Å; K42-D45 WeakPolarHBondContact O-CB 3.5Å; K42-D45 PolarHBondContact O-N 2.72Å; K42-D45 VanDerWaalsContact O-N 3.08Å; L43-D45 VanDerWaalsContact C-N 3.27Å; L43-D45 PolarHBondContact O-N 2.99Å; D45-C48 PolarHBondContact O-N 3.37Å; D45-L49 VanDerWaalsContact O-CB 3.26Å; D45-L49 WeakPolarHBondContact O-CB 3.13Å; D45-L49 PolarHBondContact O-N 2.65Å; D45-I124 HydrophobicContact CB-CD1 3.97Å; D45-W130 WeakPolarHBondContact OD1-CZ2 3.22Å; D45-W130 PolarHBondContact OD1-NE1 3.37Å; D45-L139 HydrophobicContact CB-CD1 4.43Å; D45-L139 VanDerWaalsContact OD1-CD1 3.3Å; D45-L139 WeakPolarHBondContact OD1-CD1 3.49Å |
| 46 | W | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.5 | -40.9 | 178.6 | -69.1 | 117.3 | 0 | 0 | 0 | 113 | L30 M35 V41 K42 L43 L49 A50 A114 V118 I124 W127 | L30-W46 HydrophobicContact CD1-CB 3.74Å; M35-W46 HydrophobicContact CB-CG 4.46Å; M35-W46 HydrophobicContact CE-CD2 3.37Å; M35-W46 HydrophobicContact CE-CE3 3.59Å; M35-W46 HydrophobicContact CE-CG 3.94Å; M35-W46 HydrophobicContact CE-CH2 3.7Å; M35-W46 HydrophobicContact CE-CZ2 3.52Å; M35-W46 HydrophobicContact CE-CZ3 3.76Å; M35-W46 PolarHBondContact O-NE1 3.24Å; M35-W46 HydrophobicContact SD-CZ2 4.25Å; V41-W46 HydrophobicContact CB-CZ2 4.15Å; V41-W46 HydrophobicContact CG1-CD2 3.97Å; V41-W46 VanDerWaalsContact CG1-CE2 3.47Å; V41-W46 HydrophobicContact CG1-CG 4.16Å; V41-W46 HydrophobicContact CG1-CZ2 3.95Å; V41-W46 VanDerWaalsContact CG1-NE1 3.31Å; V41-W46 HydrophobicContact CG2-CZ2 4.36Å; K42-W46 PolarHBondContact O-N 2.98Å; L43-W46 PolarHBondContact O-N 2.9Å; W46-L49 HydrophobicContact CE3-CD1 4.27Å; W46-L49 HydrophobicContact CZ3-CD1 4.27Å; W46-L49 PolarHBondContact O-N 3.23Å; W46-A50 WeakPolarHBondContact O-CB 3.36Å; W46-A50 PolarHBondContact O-N 3.19Å; W46-A114 HydrophobicContact CH2-CB 4.1Å; W46-A114 HydrophobicContact CZ3-CB 3.98Å; W46-V118 HydrophobicContact CH2-CG1 3.42Å; W46-V118 VanDerWaalsContact CH2-CG1 3.42Å; W46-V118 HydrophobicContact CH2-CG2 4.37Å; W46-V118 HydrophobicContact CZ2-CG1 3.88Å; W46-V118 HydrophobicContact CZ2-CG2 4.31Å; W46-V118 HydrophobicContact CZ3-CG1 4.42Å; W46-I124 HydrophobicContact CE3-CD1 4.46Å; W46-W127 HydrophobicContact CH2-CH2 4.28Å; W46-W127 HydrophobicContact CH2-CZ3 4.44Å; W46-W127 HydrophobicContact CZ3-CH2 4.04Å; W46-W127 HydrophobicContact CZ3-CZ3 4.3Å |
| 47 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.4 | -40.6 | 177.3 | -177.9 | 0 | 0 | 0 | 0 | 110.2 | R23 A27 L30 L43 A50 Q51 Y56 Y142 | R23-V47 HydrophobicContact CG-CG1 3.8Å; A27-V47 HydrophobicContact CB-CG2 3.87Å; L30-V47 HydrophobicContact CD1-CG2 3.95Å; L43-V47 WeakPolarHBondContact O-CG2 3.44Å; L43-V47 PolarHBondContact O-N 3.16Å; L43-V47 VanDerWaalsContact O-N 3.11Å; V47-A50 PolarHBondContact O-N 3.13Å; V47-Q51 PolarHBondContact O-N 3.1Å; V47-Y56 HydrophobicContact CG1-CE1 3.98Å; V47-Y56 WeakPolarHBondContact O-CE1 3.42Å; V47-Y142 HydrophobicContact CG1-CD1 4.09Å |
| 48 | C | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.2 | -45.4 | 173 | -178 | 0 | 0 | 0 | 0 | 112.3 | A44 D45 A50 Q51 H52 C134 L139 Y142 | A44-C48 VanDerWaalsContact O-CB 3.24Å; A44-C48 WeakPolarHBondContact O-CB 3.49Å; A44-C48 PolarHBondContact O-N 3.05Å; D45-C48 PolarHBondContact O-N 3.37Å; C48-A50 PolarHBondContact O-N 3.22Å; C48-Q51 WeakPolarHBondContact O-CB 3.29Å; C48-Q51 PolarHBondContact O-N 3.22Å; C48-H52 PolarHBondContact O-CD2 3.04Å; C48-H52 VanDerWaalsContact O-CD2 3.26Å; C48-H52 PolarHBondContact O-N 2.86Å; C48-C134 HydrophobicContact CB-CB 3.88Å; C48-C134 WeakPolarHBondContact CB-SG 3.21Å; C48-C134 VanDerWaalsContact SG-CA 3.53Å; C48-C134 WeakPolarHBondContact SG-CB 3.34Å; C48-C134 CovalentContact SG-SG 2.03Å; C48-C134 PolarHBondContact SG-SG 3.29Å; C48-L139 HydrophobicContact CB-CD1 4.09Å; C48-L139 HydrophobicContact CB-CD2 4.16Å; C48-Y142 HydrophobicContact CB-CD1 4.07Å; C48-Y142 HydrophobicContact CB-CD2 3.71Å; C48-Y142 HydrophobicContact CB-CE1 3.98Å; C48-Y142 HydrophobicContact CB-CE2 3.61Å; C48-Y142 HydrophobicContact CB-CG 3.93Å; C48-Y142 VanDerWaalsContact SG-CE2 3.52Å; C48-Y142 VanDerWaalsContact SG-CZ 3.52Å |
| 49 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.3 | -53.1 | 176.3 | -179.2 | 158.9 | 0 | 0 | 0 | 110.6 | D45 W46 Q51 H52 E53 F75 I124 W127 W130 | D45-L49 VanDerWaalsContact O-CB 3.26Å; D45-L49 WeakPolarHBondContact O-CB 3.13Å; D45-L49 PolarHBondContact O-N 2.65Å; W46-L49 HydrophobicContact CE3-CD1 4.27Å; W46-L49 HydrophobicContact CZ3-CD1 4.27Å; W46-L49 PolarHBondContact O-N 3.23Å; L49-Q51 VanDerWaalsContact C-N 3.28Å; L49-Q51 PolarHBondContact O-N 3.3Å; L49-H52 PolarHBondContact O-N 3.01Å; L49-E53 HydrophobicContact CD2-CG 3.89Å; L49-E53 HydrophobicContact CG-CG 4.13Å; L49-E53 VanDerWaalsContact O-CB 3.31Å; L49-E53 WeakPolarHBondContact O-CB 3.39Å; L49-E53 VanDerWaalsContact O-CG 3.25Å; L49-E53 WeakPolarHBondContact O-CG 3.48Å; L49-E53 PolarHBondContact O-N 2.87Å; L49-F75 HydrophobicContact CD2-CB 4.12Å; L49-F75 HydrophobicContact CD2-CD1 3.62Å; L49-F75 HydrophobicContact CD2-CG 4.3Å; L49-I124 HydrophobicContact CD1-CD1 3.89Å; L49-I124 HydrophobicContact CD1-CG1 3.86Å; L49-W127 HydrophobicContact CD1-CB 3.94Å; L49-W127 HydrophobicContact CD1-CD2 3.62Å; L49-W127 HydrophobicContact CD1-CE3 3.86Å; L49-W127 HydrophobicContact CD1-CG 3.66Å; L49-W127 HydrophobicContact CD1-CZ3 4.47Å; L49-W127 HydrophobicContact CD2-CG 4.48Å; L49-W127 HydrophobicContact CG-CB 4.39Å; L49-W127 HydrophobicContact CG-CG 4.19Å; L49-W130 HydrophobicContact CB-CB 4.34Å; L49-W130 HydrophobicContact CD1-CB 4.04Å; L49-W130 HydrophobicContact CD1-CG 4.46Å; L49-W130 HydrophobicContact CG-CB 4.27Å |
| 50 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.8 | -33.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | L26 W46 V47 C48 S54 N55 Y56 I74 F75 | L26-A50 HydrophobicContact CD2-CB 3.57Å; W46-A50 WeakPolarHBondContact O-CB 3.36Å; W46-A50 PolarHBondContact O-N 3.19Å; V47-A50 PolarHBondContact O-N 3.13Å; C48-A50 PolarHBondContact O-N 3.22Å; A50-S54 PolarHBondContact O-N 3.37Å; A50-S54 VanDerWaalsContact O-N 3.15Å; A50-S54 PolarHBondContact O-OG 3.37Å; A50-S54 VanDerWaalsContact O-OG 3.08Å; A50-N55 PolarHBondContact O-N 3.31Å; A50-Y56 HydrophobicContact CB-CD1 3.79Å; A50-Y56 HydrophobicContact CB-CE1 4.08Å; A50-Y56 PolarHBondContact O-N 3.28Å; A50-I74 HydrophobicContact CB-CG1 4.15Å; A50-F75 HydrophobicContact CB-CD1 4.19Å; A50-F75 HydrophobicContact CB-CE1 4.13Å |
| 51 | Q | 98.8 | Very high | 98.7 | Very high | 56 Ų | 56 | 34 Ų | 34 | 26% | 0.262 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -60.5 | -48 | 174.5 | 178.1 | 60.7 | 76.2 | 0 | 0 | 111.5 | V47 C48 L49 N55 Y56 Y142 | V47-Q51 PolarHBondContact O-N 3.1Å; C48-Q51 WeakPolarHBondContact O-CB 3.29Å; C48-Q51 PolarHBondContact O-N 3.22Å; L49-Q51 VanDerWaalsContact C-N 3.28Å; L49-Q51 PolarHBondContact O-N 3.3Å; Q51-N55 PolarHBondContact NE2-OD1 3.43Å; Q51-N55 WeakPolarHBondContact O-CA 3.48Å; Q51-N55 PolarHBondContact O-N 3.31Å; Q51-Y56 HydrophobicContact CB-CE1 3.74Å; Q51-Y56 HydrophobicContact CB-CE2 4.44Å; Q51-Y56 WeakPolarHBondContact CB-OH 3.39Å; Q51-Y56 PolarHBondContact OE1-OH 3.25Å; Q51-Y142 HydrophobicContact CB-CE1 3.92Å; Q51-Y142 HydrophobicContact CG-CE1 4.03Å |
| 52 | H | 98.7 | Very high | 98.6 | Very high | 74 Ų | 74 | 37.3 Ų | 37.3 | 34% | 0.343 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -86.7 | -23.5 | -172.2 | -72.2 | -72.6 | 0 | 0 | 0 | 113.4 | C48 L49 A129 Q133 Y142 | C48-H52 PolarHBondContact O-CD2 3.04Å; C48-H52 VanDerWaalsContact O-CD2 3.26Å; C48-H52 PolarHBondContact O-N 2.86Å; L49-H52 PolarHBondContact O-N 3.01Å; H52-A129 HydrophobicContact CB-CB 3.96Å; H52-Q133 HydrophobicContact CB-CB 4.16Å; H52-Q133 HydrophobicContact CB-CG 4.12Å; H52-Q133 VanDerWaalsContact CD2-CB 3.42Å; H52-Q133 WeakPolarHBondContact CD2-CB 3.4Å; H52-Y142 PolarHBondContact NE2-OH 3.28Å |
| 53 | E | 98.7 | Very high | 98.6 | Very high | 42 Ų | 42 | 35.9 Ų | 35.9 | 20% | 0.196 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -80.4 | -38.9 | 175.5 | -70.1 | -65.2 | 175.5 | 0 | 0 | 112.1 | L49 Q76 A129 | L49-E53 HydrophobicContact CD2-CG 3.89Å; L49-E53 HydrophobicContact CG-CG 4.13Å; L49-E53 VanDerWaalsContact O-CB 3.31Å; L49-E53 WeakPolarHBondContact O-CB 3.39Å; L49-E53 VanDerWaalsContact O-CG 3.25Å; L49-E53 WeakPolarHBondContact O-CG 3.48Å; L49-E53 PolarHBondContact O-N 2.87Å; E53-Q76 HydrophobicContact CB-CB 3.96Å; E53-Q76 HydrophobicContact CB-CG 3.69Å; E53-Q76 HydrophobicContact CG-CB 4.33Å; E53-Q76 WeakPolarHBondContact O-CG 3.43Å; E53-Q76 WeakPolarHBondContact OE2-CB 3.49Å; E53-A129 HydrophobicContact CG-CB 3.9Å; E53-A129 WeakPolarHBondContact OE1-CB 3.38Å; E53-A129 PolarHBondContact OE1-N 2.98Å |
| 54 | S | 98.6 | Very high | 98.6 | Very high | 14 Ų | 14 | 37.8 Ų | 37.8 | 10% | 0.098 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -141.6 | -0 | -170.8 | 67.3 | 0 | 0 | 0 | 0 | 115.8 | A50 Y56 N57 I74 | A50-S54 PolarHBondContact O-N 3.37Å; A50-S54 VanDerWaalsContact O-N 3.15Å; A50-S54 PolarHBondContact O-OG 3.37Å; A50-S54 VanDerWaalsContact O-OG 3.08Å; S54-Y56 PolarHBondContact O-N 2.85Å; S54-Y56 PolarHBondContact OG-N 3.45Å; S54-N57 WeakPolarHBondContact O-CB 3.44Å; S54-N57 PolarHBondContact O-N 3.36Å; S54-N57 VanDerWaalsContact O-N 3.08Å; S54-N57 PolarHBondContact OG-N 3.36Å; S54-I74 WeakPolarHBondContact CB-O 3.22Å; S54-I74 WeakPolarHBondContact OG-CA 3.19Å; S54-I74 PolarHBondContact OG-O 2.98Å |
| 55 | N | 98.4 | Very high | 98.5 | Very high | 98 Ų | 98 | 47.6 Ų | 47.6 | 52% | 0.524 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 39.7 | -164.8 | -169.6 | 38 | 0 | 0 | 0 | 111.6 | A50 Q51 N57 | A50-N55 PolarHBondContact O-N 3.31Å; Q51-N55 PolarHBondContact NE2-OD1 3.43Å; Q51-N55 WeakPolarHBondContact O-CA 3.48Å; Q51-N55 PolarHBondContact O-N 3.31Å; N55-N57 PolarHBondContact O-N 3.2Å |
| 56 | Y | 98.6 | Very high | 98.4 | Very high | 10 Ų | 10 | 50.7 Ų | 50.7 | 4% | 0.039 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 17.5 | -177.3 | -44.6 | -55.3 | 0 | 0 | 0 | 116.4 | Y21 R23 L26 V47 A50 Q51 S54 | Y21-Y56 PolarHBondContact N-O 3.1Å; Y21-Y56 WeakPolarHBondContact O-CB 3.42Å; Y21-Y56 WeakPolarHBondContact O-CD2 3.47Å; R23-Y56 HydrophobicContact CB-CE2 4.09Å; L26-Y56 HydrophobicContact CD2-CD1 3.34Å; L26-Y56 HydrophobicContact CD2-CE1 3.73Å; L26-Y56 HydrophobicContact CD2-CG 4.25Å; V47-Y56 HydrophobicContact CG1-CE1 3.98Å; V47-Y56 WeakPolarHBondContact O-CE1 3.42Å; A50-Y56 HydrophobicContact CB-CD1 3.79Å; A50-Y56 HydrophobicContact CB-CE1 4.08Å; A50-Y56 PolarHBondContact O-N 3.28Å; Q51-Y56 HydrophobicContact CB-CE1 3.74Å; Q51-Y56 HydrophobicContact CB-CE2 4.44Å; Q51-Y56 WeakPolarHBondContact CB-OH 3.39Å; Q51-Y56 PolarHBondContact OE1-OH 3.25Å; S54-Y56 PolarHBondContact O-N 2.85Å; S54-Y56 PolarHBondContact OG-N 3.45Å |
| 57 | N | 98.4 | Very high | 98.3 | Very high | 47 Ų | 47 | 53 Ų | 53 | 25% | 0.251 | 27% | 0.274 | S | S | . | . | B | Isolated β-bridge | trans | -83.8 | 118.6 | 179.8 | -176.5 | -11.6 | 0 | 0 | 0 | 111.2 | A18 V20 S54 N55 R59 A60 | A18-N57 WeakPolarHBondContact CB-OD1 3.34Å; V20-N57 HydrophobicContact CG2-CB 4.15Å; S54-N57 WeakPolarHBondContact O-CB 3.44Å; S54-N57 PolarHBondContact O-N 3.36Å; S54-N57 VanDerWaalsContact O-N 3.08Å; S54-N57 PolarHBondContact OG-N 3.36Å; N55-N57 PolarHBondContact O-N 3.2Å; N57-R59 PolarHBondContact O-N 3.11Å; N57-R59 PolarHBondContact OD1-N 3.01Å; N57-A60 HydrophobicContact CB-CB 4.29Å; N57-A60 PolarHBondContact O-N 3.08Å |
| 58 | T | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -18.4 | 179.9 | 57.4 | 0 | 0 | 0 | 0 | 114 | K19 Y21 G73 L103 Q104 D105 I107 | K19-T58 HydrophobicContact CB-CG2 4Å; K19-T58 HydrophobicContact CG-CG2 4.18Å; K19-T58 PolarHBondContact N-OG1 2.99Å; K19-T58 WeakPolarHBondContact O-CG2 3.29Å; K19-T58 PolarHBondContact O-N 3.42Å; K19-T58 PolarHBondContact O-OG1 3.25Å; K19-T58 VanDerWaalsContact O-OG1 3.05Å; Y21-T58 HydrophobicContact CD2-CG2 3.83Å; Y21-T58 HydrophobicContact CE2-CG2 3.5Å; T58-G73 WeakPolarHBondContact O-CA 3.33Å; T58-L103 WeakPolarHBondContact O-CA 3.34Å; T58-Q104 WeakPolarHBondContact CB-O 3.26Å; T58-D105 PolarHBondContact OG1-OD1 3.48Å; T58-D105 VanDerWaalsContact OG1-OD1 3.1Å; T58-I107 HydrophobicContact CG2-CG2 3.62Å |
| 59 | R | 97.8 | Very high | 98.2 | Very high | 82 Ų | 82 | 60.2 Ų | 60.2 | 31% | 0.309 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | 13.1 | -176.5 | -52.9 | -164.8 | -172.2 | 171.4 | 10 | 114.1 | A16 Q17 A18 N57 T61 D105 | A16-R59 PolarHBondContact O-NH1 3.44Å; Q17-R59 PolarHBondContact O-NH2 3.07Å; A18-R59 HydrophobicContact CB-CB 3.72Å; A18-R59 HydrophobicContact CB-CG 3.64Å; N57-R59 PolarHBondContact O-N 3.11Å; N57-R59 PolarHBondContact OD1-N 3.01Å; R59-T61 PolarHBondContact O-N 3.26Å; R59-D105 IonicContact NE-OD1 3.75Å; R59-D105 IonicContact NH2-OD1 3.89Å; R59-D105 IonicContact NH2-OD2 2.67Å; R59-D105 PolarHBondContact NH2-OD2 2.99Å |
| 60 | A | 98.4 | Very high | 98.2 | Very high | 18 Ų | 18 | 60.5 Ų | 60.5 | 15% | 0.149 | 30% | 0.303 | C | S | . | . | trans | -60.7 | 137.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | N57 G73 Q76 | N57-A60 HydrophobicContact CB-CB 4.29Å; N57-A60 PolarHBondContact O-N 3.08Å; A60-G73 PolarHBondContact O-N 3.22Å; A60-Q76 PolarHBondContact O-NE2 3.15Å | ||
| 61 | T | 98.4 | Very high | 98.2 | Very high | 84 Ų | 84 | 61.5 Ų | 61.5 | 52% | 0.515 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 142.3 | 172 | 59.4 | 0 | 0 | 0 | 0 | 110.5 | R59 D71 Y72 L103 | R59-T61 PolarHBondContact O-N 3.26Å; T61-D71 WeakPolarHBondContact CA-O 3.37Å; T61-Y72 HydrophobicContact CG2-CD1 3.98Å; T61-Y72 HydrophobicContact CG2-CE1 4.24Å; T61-L103 HydrophobicContact CG2-CD1 4.48Å; T61-L103 HydrophobicContact CG2-CD2 3.83Å |
| 62 | N | 98.5 | Very high | 98.2 | Very high | 78 Ų | 78 | 59.9 Ų | 59.9 | 42% | 0.417 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 123.8 | 174.9 | 175 | 47.4 | 0 | 0 | 0 | 110.5 | T70 D71 | N62-T70 CarbonylContact O-C 3.52Å; N62-T70 VanDerWaalsContact O-CA 3.3Å; N62-T70 WeakPolarHBondContact O-CA 3.11Å; N62-T70 WeakPolarHBondContact O-CG2 3.44Å; N62-D71 HydrophobicContact CB-CB 4.21Å; N62-D71 PolarHBondContact N-O 2.93Å; N62-D71 VanDerWaalsContact N-O 3.14Å; N62-D71 PolarHBondContact ND2-OD2 3.23Å; N62-D71 VanDerWaalsContact ND2-OD2 3.14Å; N62-D71 PolarHBondContact O-N 3.18Å |
| 63 | Y | 98.4 | Very high | 98.2 | Very high | 115 Ų | 115 | 56.4 Ų | 56.4 | 45% | 0.451 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 123.6 | -179.2 | 179 | -115.9 | 0 | 0 | 0 | 111.5 | R65 S69 T70 | Y63-R65 HydrophobicContact CD1-CG 3.91Å; Y63-R65 HydrophobicContact CE1-CB 4.42Å; Y63-R65 HydrophobicContact CE1-CG 3.81Å; Y63-R65 PolarHBondContact O-N 3.03Å; Y63-S69 VanDerWaalsContact CD2-O 3.25Å; Y63-S69 WeakPolarHBondContact CD2-O 3.41Å; Y63-T70 WeakPolarHBondContact CD2-OG1 3.34Å |
| 64 | N | 98.1 | Very high | 98.2 | Very high | 43 Ų | 43 | 54.4 Ų | 54.4 | 23% | 0.23 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 97.5 | -179.5 | -64.3 | -66.5 | 0 | 0 | 0 | 110.2 | G66 R68 S69 D71 N78 | N64-G66 PolarHBondContact O-N 3Å; N64-R68 VanDerWaalsContact O-CA 3.28Å; N64-R68 WeakPolarHBondContact O-CA 3.47Å; N64-R68 PolarHBondContact O-N 3.48Å; N64-S69 WeakPolarHBondContact CB-OG 3.24Å; N64-S69 PolarHBondContact N-O 2.84Å; N64-S69 PolarHBondContact O-N 3.4Å; N64-D71 VanDerWaalsContact ND2-CG 3.33Å; N64-D71 PolarHBondContact ND2-OD1 3.37Å; N64-D71 PolarHBondContact ND2-OD2 3.26Å; N64-N78 PolarHBondContact ND2-ND2 2.96Å |
| 65 | R | 96.9 | Very high | 98.2 | Very high | 216 Ų | 216 | 53.8 Ų | 53.8 | 82% | 0.815 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -34.1 | -176.6 | -65.9 | -174.1 | 180 | -166.2 | 0.7 | 113.5 | Y63 D67 | Y63-R65 HydrophobicContact CD1-CG 3.91Å; Y63-R65 HydrophobicContact CE1-CB 4.42Å; Y63-R65 HydrophobicContact CE1-CG 3.81Å; Y63-R65 PolarHBondContact O-N 3.03Å; R65-D67 PolarHBondContact O-N 2.88Å |
| 66 | G | 96.5 | Very high | 98.2 | Very high | 87 Ų | 87 | 49.8 Ų | 49.8 | 90% | 0.897 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -39.4 | -173 | 0 | 0 | 0 | 0 | 0 | 114 | N64 | N64-G66 PolarHBondContact O-N 3Š|
| 67 | D | 96.4 | Very high | 98.2 | Very high | 50 Ų | 50 | 49.4 Ų | 49.4 | 27% | 0.267 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | 4.6 | 179.1 | 79.3 | -26.1 | 0 | 0 | 0 | 113.3 | R65 S69 R80 | R65-D67 PolarHBondContact O-N 2.88Å; D67-S69 VanDerWaalsContact CG-OG 3.27Å; D67-S69 PolarHBondContact O-N 2.9Å; D67-S69 VanDerWaalsContact OD1-CB 3.25Å; D67-S69 WeakPolarHBondContact OD1-CB 3.33Å; D67-S69 PolarHBondContact OD1-N 3.07Å; D67-S69 PolarHBondContact OD1-OG 2.95Å; D67-S69 WeakPolarHBondContact OD2-CB 3.49Å; D67-S69 PolarHBondContact OD2-OG 2.82Å; D67-R80 PolarHBondContact O-NH2 3.11Å; D67-R80 IonicContact OD2-CZ 3.7Å; D67-R80 IonicContact OD2-NE 3.59Å; D67-R80 PolarHBondContact OD2-NE 3.21Å; D67-R80 IonicContact OD2-NH2 3.47Å |
| 68 | R | 98 | Very high | 98.3 | Very high | 149 Ų | 149 | 48 Ų | 48 | 56% | 0.562 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 24.5 | -178 | -53.6 | 179.8 | -75.7 | 175.3 | -6.5 | 113.5 | N64 | N64-R68 VanDerWaalsContact O-CA 3.28Å; N64-R68 WeakPolarHBondContact O-CA 3.47Å; N64-R68 PolarHBondContact O-N 3.48Å |
| 69 | S | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 168.3 | 171 | 68.9 | 0 | 0 | 0 | 0 | 111.5 | Y63 N64 D67 N78 | Y63-S69 VanDerWaalsContact CD2-O 3.25Å; Y63-S69 WeakPolarHBondContact CD2-O 3.41Å; N64-S69 WeakPolarHBondContact CB-OG 3.24Å; N64-S69 PolarHBondContact N-O 2.84Å; N64-S69 PolarHBondContact O-N 3.4Å; D67-S69 VanDerWaalsContact CG-OG 3.27Å; D67-S69 PolarHBondContact O-N 2.9Å; D67-S69 VanDerWaalsContact OD1-CB 3.25Å; D67-S69 WeakPolarHBondContact OD1-CB 3.33Å; D67-S69 PolarHBondContact OD1-N 3.07Å; D67-S69 PolarHBondContact OD1-OG 2.95Å; D67-S69 WeakPolarHBondContact OD2-CB 3.49Å; D67-S69 PolarHBondContact OD2-OG 2.82Å; S69-N78 VanDerWaalsContact CB-OD1 3.28Å; S69-N78 WeakPolarHBondContact CB-OD1 3.04Å; S69-N78 PolarHBondContact OG-ND2 3.03Å; S69-N78 PolarHBondContact OG-OD1 2.71Å |
| 70 | T | 98.8 | Very high | 98.3 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 138.2 | 172.8 | -54.5 | 0 | 0 | 0 | 0 | 108.4 | N62 Y63 Y72 S79 K87 | N62-T70 CarbonylContact O-C 3.52Å; N62-T70 VanDerWaalsContact O-CA 3.3Å; N62-T70 WeakPolarHBondContact O-CA 3.11Å; N62-T70 WeakPolarHBondContact O-CG2 3.44Å; Y63-T70 WeakPolarHBondContact CD2-OG1 3.34Å; T70-Y72 HydrophobicContact CG2-CD2 4.17Å; T70-Y72 HydrophobicContact CG2-CE1 4.11Å; T70-Y72 HydrophobicContact CG2-CE2 3.62Å; T70-Y72 WeakPolarHBondContact O-CD2 3.37Å; T70-Y72 VanDerWaalsContact O-CE2 3.26Å; T70-Y72 WeakPolarHBondContact O-CE2 3.39Å; T70-S79 PolarHBondContact N-OG 3.11Å; T70-S79 PolarHBondContact O-N 2.97Å; T70-S79 PolarHBondContact O-OG 3.05Å; T70-K87 PolarHBondContact OG1-NZ 3.44Å |
| 71 | D | 98.9 | Very high | 98.3 | Very high | 22 Ų | 22 | 50.4 Ų | 50.4 | 12% | 0.118 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 137.6 | 170.1 | -56.2 | -50.1 | 0 | 0 | 0 | 109.8 | T61 N62 N64 Q76 N78 | T61-D71 WeakPolarHBondContact CA-O 3.37Å; N62-D71 HydrophobicContact CB-CB 4.21Å; N62-D71 PolarHBondContact N-O 2.93Å; N62-D71 VanDerWaalsContact N-O 3.14Å; N62-D71 PolarHBondContact ND2-OD2 3.23Å; N62-D71 VanDerWaalsContact ND2-OD2 3.14Å; N62-D71 PolarHBondContact O-N 3.18Å; N64-D71 VanDerWaalsContact ND2-CG 3.33Å; N64-D71 PolarHBondContact ND2-OD1 3.37Å; N64-D71 PolarHBondContact ND2-OD2 3.26Å; D71-Q76 HydrophobicContact CB-CB 3.82Å; D71-Q76 HydrophobicContact CB-CG 4.39Å; D71-N78 WeakPolarHBondContact OD1-CA 3.49Å; D71-N78 WeakPolarHBondContact OD1-CB 3.29Å; D71-N78 VanDerWaalsContact OD1-CG 3.29Å; D71-N78 PolarHBondContact OD1-ND2 3.17Å |
| 72 | Y | 98.8 | Very high | 98.4 | Very high | 22 Ų | 22 | 47.6 Ų | 47.6 | 9% | 0.086 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 135.5 | -172.1 | -70.4 | -92.4 | 0 | 0 | 0 | 113.7 | T61 T70 Q76 I77 D85 K87 C99 L103 | T61-Y72 HydrophobicContact CG2-CD1 3.98Å; T61-Y72 HydrophobicContact CG2-CE1 4.24Å; T70-Y72 HydrophobicContact CG2-CD2 4.17Å; T70-Y72 HydrophobicContact CG2-CE1 4.11Å; T70-Y72 HydrophobicContact CG2-CE2 3.62Å; T70-Y72 WeakPolarHBondContact O-CD2 3.37Å; T70-Y72 VanDerWaalsContact O-CE2 3.26Å; T70-Y72 WeakPolarHBondContact O-CE2 3.39Å; Y72-Q76 WeakPolarHBondContact O-CA 3.4Å; Y72-Q76 PolarHBondContact O-N 3.3Å; Y72-I77 PolarHBondContact N-O 3.49Å; Y72-I77 PolarHBondContact O-N 2.98Å; Y72-D85 HydrophobicContact CE2-CB 4.04Å; Y72-D85 VanDerWaalsContact OH-CB 3.26Å; Y72-D85 WeakPolarHBondContact OH-CB 3.49Å; Y72-D85 PolarHBondContact OH-OD2 2.99Å; Y72-K87 WeakPolarHBondContact OH-CE 3.45Å; Y72-C99 HydrophobicContact CD1-CB 3.93Å; Y72-C99 HydrophobicContact CD2-CB 3.55Å; Y72-C99 HydrophobicContact CE1-CB 3.98Å; Y72-C99 HydrophobicContact CE2-CB 3.58Å; Y72-C99 HydrophobicContact CG-CB 3.73Å; Y72-L103 HydrophobicContact CD1-CD1 3.95Å; Y72-L103 HydrophobicContact CD1-CD2 4.09Å; Y72-L103 HydrophobicContact CD1-CG 4.06Å; Y72-L103 HydrophobicContact CE1-CD1 4.27Å |
| 73 | G | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75 | -165.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | T58 A60 F75 Q76 L102 | T58-G73 WeakPolarHBondContact O-CA 3.33Å; A60-G73 PolarHBondContact O-N 3.22Å; G73-F75 PolarHBondContact O-N 2.75Å; G73-F75 VanDerWaalsContact O-N 3.1Å; G73-Q76 PolarHBondContact O-N 3.28Å; G73-Q76 PolarHBondContact O-NE2 3.35Å; G73-L102 WeakPolarHBondContact CA-O 3.28Å |
| 74 | I | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -27.9 | -170.3 | -163.5 | 168.5 | 0 | 0 | 0 | 114.3 | Y21 L26 A50 S54 I107 A110 | Y21-I74 HydrophobicContact CD2-CD1 3.82Å; L26-I74 HydrophobicContact CD1-CD1 3.77Å; L26-I74 HydrophobicContact CD2-CD1 3.98Å; A50-I74 HydrophobicContact CB-CG1 4.15Å; S54-I74 WeakPolarHBondContact CB-O 3.22Å; S54-I74 WeakPolarHBondContact OG-CA 3.19Å; S54-I74 PolarHBondContact OG-O 2.98Å; I74-I107 HydrophobicContact CG2-CG2 4.06Å; I74-A110 HydrophobicContact CG2-CB 4.35Å |
| 75 | F | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105 | 6 | 177.7 | -56.6 | -52.2 | 0 | 0 | 0 | 113.2 | L30 M35 L49 A50 G73 I77 A110 I111 A114 W127 | L30-F75 HydrophobicContact CD2-CE1 4.42Å; L30-F75 HydrophobicContact CD2-CZ 3.71Å; M35-F75 HydrophobicContact CE-CZ 4.31Å; L49-F75 HydrophobicContact CD2-CB 4.12Å; L49-F75 HydrophobicContact CD2-CD1 3.62Å; L49-F75 HydrophobicContact CD2-CG 4.3Å; A50-F75 HydrophobicContact CB-CD1 4.19Å; A50-F75 HydrophobicContact CB-CE1 4.13Å; G73-F75 PolarHBondContact O-N 2.75Å; G73-F75 VanDerWaalsContact O-N 3.1Å; F75-I77 VanDerWaalsContact C-N 3.33Å; F75-I77 HydrophobicContact CB-CD1 4.37Å; F75-I77 HydrophobicContact CB-CG1 4.02Å; F75-I77 PolarHBondContact O-N 3.36Å; F75-A110 HydrophobicContact CD2-CB 4.03Å; F75-A110 HydrophobicContact CE2-CB 4.23Å; F75-I111 HydrophobicContact CE2-CG1 4.09Å; F75-I111 HydrophobicContact CZ-CG1 4.36Å; F75-A114 HydrophobicContact CD2-CB 3.79Å; F75-A114 HydrophobicContact CE2-CB 3.96Å; F75-A114 HydrophobicContact CG-CB 4.44Å; F75-W127 HydrophobicContact CB-CZ2 4.49Å; F75-W127 PolarHBondContact O-NE1 3.08Å |
| 76 | Q | 98.9 | Very high | 98.5 | Very high | 14 Ų | 14 | 33.8 Ų | 33.8 | 7% | 0.065 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 51.7 | -179 | -69.3 | -60.4 | -85.8 | 0 | 0 | 112.8 | E53 A60 D71 Y72 G73 N78 | E53-Q76 HydrophobicContact CB-CB 3.96Å; E53-Q76 HydrophobicContact CB-CG 3.69Å; E53-Q76 HydrophobicContact CG-CB 4.33Å; E53-Q76 WeakPolarHBondContact O-CG 3.43Å; E53-Q76 WeakPolarHBondContact OE2-CB 3.49Å; A60-Q76 PolarHBondContact O-NE2 3.15Å; D71-Q76 HydrophobicContact CB-CB 3.82Å; D71-Q76 HydrophobicContact CB-CG 4.39Å; Y72-Q76 WeakPolarHBondContact O-CA 3.4Å; Y72-Q76 PolarHBondContact O-N 3.3Å; G73-Q76 PolarHBondContact O-N 3.28Å; G73-Q76 PolarHBondContact O-NE2 3.35Å; Q76-N78 PolarHBondContact O-N 2.92Å |
| 77 | I | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 123.6 | -179.1 | -64.2 | 175.6 | 0 | 0 | 0 | 109.2 | Y72 F75 W82 L102 C113 A114 W127 | Y72-I77 PolarHBondContact N-O 3.49Å; Y72-I77 PolarHBondContact O-N 2.98Å; F75-I77 VanDerWaalsContact C-N 3.33Å; F75-I77 HydrophobicContact CB-CD1 4.37Å; F75-I77 HydrophobicContact CB-CG1 4.02Å; F75-I77 PolarHBondContact O-N 3.36Å; I77-W82 HydrophobicContact CG2-CB 3.47Å; I77-W82 VanDerWaalsContact CG2-CB 3.47Å; I77-W82 HydrophobicContact CG2-CD2 4.41Å; I77-W82 HydrophobicContact CG2-CE3 4.13Å; I77-W82 HydrophobicContact CG2-CG 4.2Å; I77-L102 HydrophobicContact CB-CD1 3.87Å; I77-L102 HydrophobicContact CD1-CD2 4.17Å; I77-L102 HydrophobicContact CG2-CD1 4.09Å; I77-C113 HydrophobicContact CD1-CB 3.82Å; I77-A114 HydrophobicContact CD1-CB 4.43Å; I77-W127 HydrophobicContact CG1-CZ2 4.32Å |
| 78 | N | 98.8 | Very high | 98.6 | Very high | 18 Ų | 18 | 33.6 Ų | 33.6 | 10% | 0.096 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 132.6 | -171.8 | -167.3 | -70.9 | 0 | 0 | 0 | 113.7 | N64 S69 D71 Q76 R80 Y81 W82 | N64-N78 PolarHBondContact ND2-ND2 2.96Å; S69-N78 VanDerWaalsContact CB-OD1 3.28Å; S69-N78 WeakPolarHBondContact CB-OD1 3.04Å; S69-N78 PolarHBondContact OG-ND2 3.03Å; S69-N78 PolarHBondContact OG-OD1 2.71Å; D71-N78 WeakPolarHBondContact OD1-CA 3.49Å; D71-N78 WeakPolarHBondContact OD1-CB 3.29Å; D71-N78 VanDerWaalsContact OD1-CG 3.29Å; D71-N78 PolarHBondContact OD1-ND2 3.17Å; Q76-N78 PolarHBondContact O-N 2.92Å; N78-R80 VanDerWaalsContact C-N 3.29Å; N78-R80 PolarHBondContact O-N 3.24Å; N78-R80 WeakPolarHBondContact OD1-CA 3.12Å; N78-R80 WeakPolarHBondContact OD1-CB 3.35Å; N78-R80 PolarHBondContact OD1-N 2.98Å; N78-Y81 HydrophobicContact CB-CD2 4.49Å; N78-Y81 PolarHBondContact O-N 3.08Å; N78-W82 HydrophobicContact CB-CE3 3.99Å; N78-W82 HydrophobicContact CB-CZ3 3.82Å; N78-W82 PolarHBondContact O-N 2.92Å |
| 79 | S | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -16.7 | 178.1 | 60.8 | 0 | 0 | 0 | 0 | 115.4 | T70 Y81 C83 D85 T88 S91 C99 | T70-S79 PolarHBondContact N-OG 3.11Å; T70-S79 PolarHBondContact O-N 2.97Å; T70-S79 PolarHBondContact O-OG 3.05Å; S79-Y81 PolarHBondContact O-N 3.03Å; S79-C83 CarbonylContact C-O 3.51Å; S79-C83 VanDerWaalsContact CA-O 3.3Å; S79-C83 WeakPolarHBondContact CA-O 3.36Å; S79-D85 PolarHBondContact OG-OD2 2.04Å; S79-T88 WeakPolarHBondContact CB-OG1 3.1Å; S79-T88 PolarHBondContact OG-OG1 2.91Å; S79-S91 WeakPolarHBondContact O-CB 3.26Å; S79-S91 PolarHBondContact O-OG 2.71Å; S79-C99 VanDerWaalsContact CB-SG 3.58Å |
| 80 | R | 98.6 | Very high | 98.5 | Very high | 30 Ų | 30 | 38.6 Ų | 38.6 | 11% | 0.113 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -38.7 | 172 | 174.8 | 54.9 | 59.1 | -162.1 | -9.1 | 111.1 | D67 N78 P89 K92 | D67-R80 PolarHBondContact O-NH2 3.11Å; D67-R80 IonicContact OD2-CZ 3.7Å; D67-R80 IonicContact OD2-NE 3.59Å; D67-R80 PolarHBondContact OD2-NE 3.21Å; D67-R80 IonicContact OD2-NH2 3.47Å; N78-R80 VanDerWaalsContact C-N 3.29Å; N78-R80 PolarHBondContact O-N 3.24Å; N78-R80 WeakPolarHBondContact OD1-CA 3.12Å; N78-R80 WeakPolarHBondContact OD1-CB 3.35Å; N78-R80 PolarHBondContact OD1-N 2.98Å; R80-P89 PolarHBondContact NH1-O 2.84Å; R80-P89 PolarHBondContact NH2-O 2.9Å; R80-P89 VanDerWaalsContact NH2-O 3.12Å; R80-K92 PolarHBondContact O-N 3.27Å |
| 81 | Y | 98.8 | Very high | 98.5 | Very high | 119 Ų | 119 | 39.7 Ų | 39.7 | 47% | 0.467 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118 | -44 | -166.7 | -55.6 | -70.1 | 0 | 0 | 0 | 113.4 | N78 S79 K92 N93 A94 | N78-Y81 HydrophobicContact CB-CD2 4.49Å; N78-Y81 PolarHBondContact O-N 3.08Å; S79-Y81 PolarHBondContact O-N 3.03Å; Y81-K92 WeakPolarHBondContact O-CB 3.05Å; Y81-N93 PolarHBondContact O-N 3.1Å; Y81-A94 VanDerWaalsContact O-CB 3.31Å; Y81-A94 WeakPolarHBondContact O-CB 3.41Å; Y81-A94 PolarHBondContact O-N 2.8Å |
| 82 | W | 98.9 | Very high | 98.5 | Very high | 25 Ų | 25 | 46.2 Ų | 46.2 | 10% | 0.095 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | -26.6 | -160.3 | -62.1 | -72.5 | 0 | 0 | 0 | 115.1 | I77 N78 N93 A94 C95 V117 D120 A126 | I77-W82 HydrophobicContact CG2-CB 3.47Å; I77-W82 VanDerWaalsContact CG2-CB 3.47Å; I77-W82 HydrophobicContact CG2-CD2 4.41Å; I77-W82 HydrophobicContact CG2-CE3 4.13Å; I77-W82 HydrophobicContact CG2-CG 4.2Å; N78-W82 HydrophobicContact CB-CE3 3.99Å; N78-W82 HydrophobicContact CB-CZ3 3.82Å; N78-W82 PolarHBondContact O-N 2.92Å; W82-N93 CarbonylContact O-C 3.46Å; W82-A94 PolarHBondContact O-N 2.96Å; W82-C95 WeakPolarHBondContact O-CA 3.11Å; W82-C95 WeakPolarHBondContact O-CB 3.48Å; W82-C95 PolarHBondContact O-N 3.34Å; W82-V117 HydrophobicContact CB-CG2 4.4Å; W82-V117 HydrophobicContact CD2-CG1 4.47Å; W82-V117 HydrophobicContact CD2-CG2 3.75Å; W82-V117 HydrophobicContact CE3-CG2 4.45Å; W82-V117 HydrophobicContact CG-CG2 3.68Å; W82-V117 HydrophobicContact CH2-CG1 4.39Å; W82-V117 HydrophobicContact CZ2-CG1 3.79Å; W82-D120 PolarHBondContact NE1-OD2 2.82Å; W82-A126 HydrophobicContact CH2-CB 4.1Å; W82-A126 HydrophobicContact CZ2-CB 4.19Å |
| 83 | C | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -133.7 | 163.8 | 175.9 | 66.5 | 0 | 0 | 0 | 0 | 111.5 | S79 S91 N93 I97 C99 L102 | S79-C83 CarbonylContact C-O 3.51Å; S79-C83 VanDerWaalsContact CA-O 3.3Å; S79-C83 WeakPolarHBondContact CA-O 3.36Å; C83-S91 PolarHBondContact O-OG 3.37Å; C83-N93 WeakPolarHBondContact CA-OD1 3Å; C83-I97 HydrophobicContact CB-CG1 4.01Å; C83-C99 HydrophobicContact CB-CB 3.95Å; C83-C99 WeakPolarHBondContact CB-SG 3.42Å; C83-C99 VanDerWaalsContact SG-CA 3.55Å; C83-C99 WeakPolarHBondContact SG-CB 3.32Å; C83-C99 CovalentContact SG-SG 2.04Å; C83-C99 PolarHBondContact SG-SG 2.85Å; C83-L102 HydrophobicContact CB-CD1 3.98Å; C83-L102 VanDerWaalsContact SG-CD1 3.59Å | ||
| 84 | N | 98.7 | Very high | 98.5 | Very high | 65 Ų | 65 | 49.1 Ų | 49.1 | 35% | 0.348 | 25% | 0.246 | S | C | . | . | B | Isolated β-bridge | trans | -108 | 125.8 | 175.8 | -173 | 6.8 | 0 | 0 | 0 | 111.7 | G86 N93 I97 N98 C99 | N84-G86 PolarHBondContact OD1-N 3.43Å; N84-N93 HydrophobicContact CB-CB 4.15Å; N84-N93 PolarHBondContact N-OD1 2.03Å; N84-I97 PolarHBondContact N-O 3.18Å; N84-N98 CarbonylContact O-C 3.51Å; N84-N98 VanDerWaalsContact O-CA 3.24Å; N84-N98 WeakPolarHBondContact O-CA 3.25Å; N84-C99 PolarHBondContact N-SG 3.2Å; N84-C99 PolarHBondContact O-N 3.26Å |
| 85 | D | 98.5 | Very high | 98.5 | Very high | 26 Ų | 26 | 50.5 Ų | 50.5 | 14% | 0.139 | 26% | 0.256 | C | S | . | . | trans | -108.7 | 4.9 | 176 | 64.8 | -1.9 | 0 | 0 | 0 | 113.3 | Y72 S79 K87 T88 C99 | Y72-D85 HydrophobicContact CE2-CB 4.04Å; Y72-D85 VanDerWaalsContact OH-CB 3.26Å; Y72-D85 WeakPolarHBondContact OH-CB 3.49Å; Y72-D85 PolarHBondContact OH-OD2 2.99Å; S79-D85 PolarHBondContact OG-OD2 2.04Å; D85-K87 HydrophobicContact CB-CG 4.31Å; D85-K87 VanDerWaalsContact CG-CG 3.43Å; D85-K87 PolarHBondContact O-N 3.36Å; D85-K87 VanDerWaalsContact O-N 3.12Å; D85-K87 WeakPolarHBondContact OD1-CG 3.45Å; D85-K87 PolarHBondContact OD1-N 2.93Å; D85-K87 VanDerWaalsContact OD1-N 3.11Å; D85-K87 WeakPolarHBondContact OD2-CE 3.24Å; D85-K87 VanDerWaalsContact OD2-CG 3.3Å; D85-K87 WeakPolarHBondContact OD2-CG 3.32Å; D85-T88 WeakPolarHBondContact OD1-CB 3.3Å; D85-T88 PolarHBondContact OD1-N 3.15Å; D85-T88 PolarHBondContact OD1-OG1 3.21Å; D85-T88 PolarHBondContact OD2-OG1 2.83Å; D85-C99 HydrophobicContact CB-CB 4.01Å | ||
| 86 | G | 98.1 | Very high | 98.5 | Very high | 71 Ų | 71 | 53.2 Ų | 53.2 | 73% | 0.732 | 29% | 0.285 | S | S | * | . | S | Bend | trans | 73.7 | -7.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | N84 | N84-G86 PolarHBondContact OD1-N 3.43Š|
| 87 | K | 97.9 | Very high | 98.5 | Very high | 126 Ų | 126 | 54.7 Ų | 54.7 | 55% | 0.548 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -120.1 | -21.6 | -177.2 | 62.6 | 175.7 | -177 | 174 | 0 | 113.5 | T70 Y72 D85 P89 | T70-K87 PolarHBondContact OG1-NZ 3.44Å; Y72-K87 WeakPolarHBondContact OH-CE 3.45Å; D85-K87 HydrophobicContact CB-CG 4.31Å; D85-K87 VanDerWaalsContact CG-CG 3.43Å; D85-K87 PolarHBondContact O-N 3.36Å; D85-K87 VanDerWaalsContact O-N 3.12Å; D85-K87 WeakPolarHBondContact OD1-CG 3.45Å; D85-K87 PolarHBondContact OD1-N 2.93Å; D85-K87 VanDerWaalsContact OD1-N 3.11Å; D85-K87 WeakPolarHBondContact OD2-CE 3.24Å; D85-K87 VanDerWaalsContact OD2-CG 3.3Å; D85-K87 WeakPolarHBondContact OD2-CG 3.32Å; K87-P89 VanDerWaalsContact O-CD 3.27Å; K87-P89 WeakPolarHBondContact O-CD 3.28Å |
| 88 | T | 98.4 | Very high | 98.5 | Very high | 8 Ų | 8 | 58.8 Ų | 58.8 | 5% | 0.049 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -74.1 | 113.6 | 178.6 | -61 | 0 | 0 | 0 | 0 | 109.8 | S79 D85 R90 S91 | S79-T88 WeakPolarHBondContact CB-OG1 3.1Å; S79-T88 PolarHBondContact OG-OG1 2.91Å; D85-T88 WeakPolarHBondContact OD1-CB 3.3Å; D85-T88 PolarHBondContact OD1-N 3.15Å; D85-T88 PolarHBondContact OD1-OG1 3.21Å; D85-T88 PolarHBondContact OD2-OG1 2.83Å; T88-R90 PolarHBondContact O-N 2.68Å; T88-S91 PolarHBondContact O-N 3.12Å |
| 89 | P | 97.5 | Very high | 98.5 | Very high | 37 Ų | 37 | 58 Ų | 58 | 24% | 0.24 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 135.9 | -176.8 | -16.6 | 27.1 | 0 | 0 | 0 | 110.1 | R80 K87 S91 | R80-P89 PolarHBondContact NH1-O 2.84Å; R80-P89 PolarHBondContact NH2-O 2.9Å; R80-P89 VanDerWaalsContact NH2-O 3.12Å; K87-P89 VanDerWaalsContact O-CD 3.27Å; K87-P89 WeakPolarHBondContact O-CD 3.28Å; P89-S91 VanDerWaalsContact C-N 3.29Å; P89-S91 PolarHBondContact O-N 2.95Å |
| 90 | R | 96.7 | Very high | 98.4 | Very high | 217 Ų | 217 | 60.8 Ų | 60.8 | 82% | 0.819 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 36.9 | 176.5 | -52.1 | -177.9 | -66.7 | 174.4 | -1.5 | 114.5 | T88 | T88-R90 PolarHBondContact O-N 2.68Š|
| 91 | S | 98.1 | Very high | 98.4 | Very high | 30 Ų | 30 | 60.9 Ų | 60.9 | 21% | 0.21 | 34% | 0.337 | C | S | . | . | trans | -55.4 | 138.4 | 169.6 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | S79 C83 T88 P89 N93 | S79-S91 WeakPolarHBondContact O-CB 3.26Å; S79-S91 PolarHBondContact O-OG 2.71Å; C83-S91 PolarHBondContact O-OG 3.37Å; T88-S91 PolarHBondContact O-N 3.12Å; P89-S91 VanDerWaalsContact C-N 3.29Å; P89-S91 PolarHBondContact O-N 2.95Å; S91-N93 PolarHBondContact OG-N 3.49Å | ||
| 92 | K | 98.5 | Very high | 98.4 | Very high | 158 Ų | 158 | 55.3 Ų | 55.3 | 69% | 0.687 | 32% | 0.315 | S | S | * | . | trans | -84.5 | -22.2 | 175.7 | -59 | -62.4 | -174.6 | 176.6 | 0 | 113.4 | R80 Y81 A94 | R80-K92 PolarHBondContact O-N 3.27Å; Y81-K92 WeakPolarHBondContact O-CB 3.05Å; K92-A94 VanDerWaalsContact C-N 3.28Å; K92-A94 PolarHBondContact O-N 2.94Å | ||
| 93 | N | 98.6 | Very high | 98.4 | Very high | 48 Ų | 48 | 56.2 Ų | 56.2 | 26% | 0.257 | 32% | 0.321 | S | S | . | . | trans | 44.6 | 47 | -179.4 | -168.3 | 20.5 | 0 | 0 | 0 | 114.3 | Y81 W82 C83 N84 S91 C95 G96 I97 | Y81-N93 PolarHBondContact O-N 3.1Å; W82-N93 CarbonylContact O-C 3.46Å; C83-N93 WeakPolarHBondContact CA-OD1 3Å; N84-N93 HydrophobicContact CB-CB 4.15Å; N84-N93 PolarHBondContact N-OD1 2.03Å; S91-N93 PolarHBondContact OG-N 3.49Å; N93-C95 PolarHBondContact O-N 2.84Å; N93-C95 VanDerWaalsContact O-N 3.09Å; N93-G96 PolarHBondContact O-N 2.84Å; N93-G96 PolarHBondContact OD1-N 2.89Å; N93-I97 PolarHBondContact OD1-N 3.19Å; N93-I97 PolarHBondContact OD1-O 3.23Å | ||
| 94 | A | 98.8 | Very high | 98.3 | Very high | 35 Ų | 35 | 61.3 Ų | 61.3 | 29% | 0.289 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -17.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y81 W82 K92 R116 | Y81-A94 VanDerWaalsContact O-CB 3.31Å; Y81-A94 WeakPolarHBondContact O-CB 3.41Å; Y81-A94 PolarHBondContact O-N 2.8Å; W82-A94 PolarHBondContact O-N 2.96Å; K92-A94 VanDerWaalsContact C-N 3.28Å; K92-A94 PolarHBondContact O-N 2.94Å; A94-R116 PolarHBondContact O-NE 3.31Å |
| 95 | C | 98.8 | Very high | 98.2 | Very high | 30 Ų | 30 | 61.1 Ų | 61.1 | 20% | 0.203 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -10.7 | 172.1 | -60.9 | 0 | 0 | 0 | 0 | 113.5 | W82 N93 I97 C113 | W82-C95 WeakPolarHBondContact O-CA 3.11Å; W82-C95 WeakPolarHBondContact O-CB 3.48Å; W82-C95 PolarHBondContact O-N 3.34Å; N93-C95 PolarHBondContact O-N 2.84Å; N93-C95 VanDerWaalsContact O-N 3.09Å; C95-I97 HydrophobicContact CB-CD1 4.15Å; C95-I97 HydrophobicContact CB-CG1 3.94Å; C95-C113 HydrophobicContact CB-CB 3.8Å; C95-C113 WeakPolarHBondContact CB-SG 3.07Å; C95-C113 WeakPolarHBondContact SG-CA 3.49Å; C95-C113 WeakPolarHBondContact SG-CB 3.28Å; C95-C113 CovalentContact SG-SG 2.04Å; C95-C113 PolarHBondContact SG-SG 3.34Å |
| 96 | G | 98.6 | Very high | 98.2 | Very high | 59 Ų | 59 | 64.9 Ų | 64.9 | 61% | 0.608 | 36% | 0.364 | S | S | * | . | trans | 69.7 | 31.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | N93 | N93-G96 PolarHBondContact O-N 2.84Å; N93-G96 PolarHBondContact OD1-N 2.89Å | ||
| 97 | I | 98.8 | Very high | 98.2 | Very high | 45 Ų | 45 | 61.8 Ų | 61.8 | 23% | 0.231 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -131.8 | 157.1 | -174.1 | 62.4 | 175.3 | 0 | 0 | 0 | 112.5 | C83 N84 N93 C95 L102 C113 | C83-I97 HydrophobicContact CB-CG1 4.01Å; N84-I97 PolarHBondContact N-O 3.18Å; N93-I97 PolarHBondContact OD1-N 3.19Å; N93-I97 PolarHBondContact OD1-O 3.23Å; C95-I97 HydrophobicContact CB-CD1 4.15Å; C95-I97 HydrophobicContact CB-CG1 3.94Å; I97-L102 HydrophobicContact CD1-CD2 3.76Å; I97-L102 HydrophobicContact CD1-CG 4.11Å; I97-C113 HydrophobicContact CD1-CB 4.04Å |
| 98 | N | 98.7 | Very high | 98.2 | Very high | 88 Ų | 88 | 58.4 Ų | 58.4 | 47% | 0.471 | 32% | 0.321 | S | S | . | . | B | Isolated β-bridge | trans | -74.2 | 137.9 | 164.8 | -169.2 | -67.7 | 0 | 0 | 0 | 109.8 | N84 S100 A101 | N84-N98 CarbonylContact O-C 3.51Å; N84-N98 VanDerWaalsContact O-CA 3.24Å; N84-N98 WeakPolarHBondContact O-CA 3.25Å; N98-S100 PolarHBondContact O-N 3.26Å; N98-S100 VanDerWaalsContact O-N 3.12Å; N98-S100 VanDerWaalsContact OD1-CB 3.32Å; N98-S100 WeakPolarHBondContact OD1-CB 3.31Å; N98-S100 PolarHBondContact OD1-N 3Å; N98-S100 PolarHBondContact OD1-OG 3.45Å; N98-A101 VanDerWaalsContact O-CB 3.29Å; N98-A101 WeakPolarHBondContact O-CB 3.41Å; N98-A101 PolarHBondContact O-N 3.18Å |
| 99 | C | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -60.4 | -22.5 | 179.9 | -62.5 | 0 | 0 | 0 | 0 | 113.4 | Y72 S79 C83 N84 D85 A101 L102 | Y72-C99 HydrophobicContact CD1-CB 3.93Å; Y72-C99 HydrophobicContact CD2-CB 3.55Å; Y72-C99 HydrophobicContact CE1-CB 3.98Å; Y72-C99 HydrophobicContact CE2-CB 3.58Å; Y72-C99 HydrophobicContact CG-CB 3.73Å; S79-C99 VanDerWaalsContact CB-SG 3.58Å; C83-C99 HydrophobicContact CB-CB 3.95Å; C83-C99 WeakPolarHBondContact CB-SG 3.42Å; C83-C99 VanDerWaalsContact SG-CA 3.55Å; C83-C99 WeakPolarHBondContact SG-CB 3.32Å; C83-C99 CovalentContact SG-SG 2.04Å; C83-C99 PolarHBondContact SG-SG 2.85Å; N84-C99 PolarHBondContact N-SG 3.2Å; N84-C99 PolarHBondContact O-N 3.26Å; D85-C99 HydrophobicContact CB-CB 4.01Å; C99-A101 PolarHBondContact O-N 3.48Å; C99-L102 VanDerWaalsContact O-CB 3.28Å; C99-L102 WeakPolarHBondContact O-CB 3.4Å; C99-L102 PolarHBondContact O-N 3.07Å |
| 100 | S | 98.2 | Very high | 98.3 | Very high | 60 Ų | 60 | 58.1 Ų | 58.1 | 42% | 0.42 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -60.9 | -24.7 | 172.2 | 57.9 | 0 | 0 | 0 | 0 | 113.9 | N98 L102 L103 Q104 | N98-S100 PolarHBondContact O-N 3.26Å; N98-S100 VanDerWaalsContact O-N 3.12Å; N98-S100 VanDerWaalsContact OD1-CB 3.32Å; N98-S100 WeakPolarHBondContact OD1-CB 3.31Å; N98-S100 PolarHBondContact OD1-N 3Å; N98-S100 PolarHBondContact OD1-OG 3.45Å; S100-L102 PolarHBondContact O-N 3.08Å; S100-L103 PolarHBondContact O-N 2.67Å; S100-Q104 PolarHBondContact O-NE2 2.88Å |
| 101 | A | 98.6 | Very high | 98.4 | Very high | 31 Ų | 31 | 47.8 Ų | 47.8 | 26% | 0.256 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -66.8 | -18.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | N98 C99 A109 | N98-A101 VanDerWaalsContact O-CB 3.29Å; N98-A101 WeakPolarHBondContact O-CB 3.41Å; N98-A101 PolarHBondContact O-N 3.18Å; C99-A101 PolarHBondContact O-N 3.48Å; A101-A109 HydrophobicContact CB-CB 4.25Å |
| 102 | L | 98.7 | Very high | 98.5 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -86.3 | -8.3 | 177.7 | -56.4 | 173.5 | 0 | 0 | 0 | 113.1 | G73 I77 C83 I97 C99 S100 A110 C113 | G73-L102 WeakPolarHBondContact CA-O 3.28Å; I77-L102 HydrophobicContact CB-CD1 3.87Å; I77-L102 HydrophobicContact CD1-CD2 4.17Å; I77-L102 HydrophobicContact CG2-CD1 4.09Å; C83-L102 HydrophobicContact CB-CD1 3.98Å; C83-L102 VanDerWaalsContact SG-CD1 3.59Å; I97-L102 HydrophobicContact CD1-CD2 3.76Å; I97-L102 HydrophobicContact CD1-CG 4.11Å; C99-L102 VanDerWaalsContact O-CB 3.28Å; C99-L102 WeakPolarHBondContact O-CB 3.4Å; C99-L102 PolarHBondContact O-N 3.07Å; S100-L102 PolarHBondContact O-N 3.08Å; L102-A110 HydrophobicContact CD2-CB 3.98Å; L102-C113 HydrophobicContact CD2-CB 4.24Å |
| 103 | L | 98.4 | Very high | 98.5 | Very high | 44 Ų | 44 | 43.4 Ų | 43.4 | 23% | 0.23 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -99.8 | 12.2 | -179 | -60.3 | 175.6 | 0 | 0 | 0 | 113.1 | T58 T61 Y72 S100 | T58-L103 WeakPolarHBondContact O-CA 3.34Å; T61-L103 HydrophobicContact CG2-CD1 4.48Å; T61-L103 HydrophobicContact CG2-CD2 3.83Å; Y72-L103 HydrophobicContact CD1-CD1 3.95Å; Y72-L103 HydrophobicContact CD1-CD2 4.09Å; Y72-L103 HydrophobicContact CD1-CG 4.06Å; Y72-L103 HydrophobicContact CE1-CD1 4.27Å; S100-L103 PolarHBondContact O-N 2.67Å |
| 104 | Q | 97.6 | Very high | 98.5 | Very high | 106 Ų | 106 | 41.1 Ų | 41.1 | 50% | 0.495 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -83.7 | 149.7 | 179.8 | -55.8 | -53.8 | -48.4 | 0 | 0 | 110.9 | T58 S100 D106 | T58-Q104 WeakPolarHBondContact CB-O 3.26Å; S100-Q104 PolarHBondContact O-NE2 2.88Å; Q104-D106 VanDerWaalsContact C-N 3.29Å; Q104-D106 PolarHBondContact O-N 3.09Å |
| 105 | D | 96.8 | Very high | 98.5 | Very high | 61 Ų | 61 | 40.8 Ų | 40.8 | 33% | 0.326 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -68.6 | -32.6 | 176.6 | -62.8 | -28.3 | 0 | 0 | 0 | 111.3 | K19 Y21 T58 R59 I107 | K19-D105 HydrophobicContact CB-CB 3.74Å; K19-D105 WeakPolarHBondContact CB-OD1 3.47Å; K19-D105 HydrophobicContact CG-CB 4.42Å; K19-D105 PolarHBondContact N-OD1 2.88Å; K19-D105 VanDerWaalsContact N-OD1 3.13Å; Y21-D105 PolarHBondContact OH-O 3.3Å; T58-D105 PolarHBondContact OG1-OD1 3.48Å; T58-D105 VanDerWaalsContact OG1-OD1 3.1Å; R59-D105 IonicContact NE-OD1 3.75Å; R59-D105 IonicContact NH2-OD1 3.89Å; R59-D105 IonicContact NH2-OD2 2.67Å; R59-D105 PolarHBondContact NH2-OD2 2.99Å; D105-I107 PolarHBondContact O-N 2.9Å |
| 106 | D | 97.2 | Very high | 98.5 | Very high | 106 Ų | 106 | 42.7 Ų | 42.7 | 57% | 0.567 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -74.9 | 110.4 | 162.2 | -177.5 | -12.5 | 0 | 0 | 0 | 109.9 | Q104 T108 | Q104-D106 VanDerWaalsContact C-N 3.29Å; Q104-D106 PolarHBondContact O-N 3.09Å; D106-T108 VanDerWaalsContact C-N 3.27Å; D106-T108 PolarHBondContact O-N 3.2Å; D106-T108 VanDerWaalsContact OD1-CB 3.22Å; D106-T108 WeakPolarHBondContact OD1-CB 3.49Å; D106-T108 PolarHBondContact OD1-N 2.87Å; D106-T108 PolarHBondContact OD1-OG1 3.4Å |
| 107 | I | 98.4 | Very high | 98.5 | Very high | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 12.5 | -175.9 | 59.7 | 167.5 | 0 | 0 | 0 | 113.9 | Y21 L26 I29 T58 I74 D105 A109 A110 I111 | Y21-I107 HydrophobicContact CE2-CD1 4.35Å; Y21-I107 HydrophobicContact CE2-CG1 4.45Å; Y21-I107 HydrophobicContact CE2-CG2 3.8Å; L26-I107 HydrophobicContact CD1-CD1 3.54Å; I29-I107 HydrophobicContact CG2-CD1 3.89Å; I29-I107 HydrophobicContact CG2-CG1 4.08Å; T58-I107 HydrophobicContact CG2-CG2 3.62Å; I74-I107 HydrophobicContact CG2-CG2 4.06Å; D105-I107 PolarHBondContact O-N 2.9Å; I107-A109 VanDerWaalsContact C-N 3.34Å; I107-A109 PolarHBondContact O-N 3.06Å; I107-A110 HydrophobicContact CB-CB 4.36Å; I107-A110 WeakPolarHBondContact O-CB 3.5Å; I107-A110 PolarHBondContact O-N 3.16Å; I107-A110 VanDerWaalsContact O-N 3.1Å; I107-I111 HydrophobicContact CD1-CD1 3.94Å; I107-I111 HydrophobicContact CD1-CG1 4.33Å; I107-I111 HydrophobicContact CG1-CD1 3.9Å; I107-I111 HydrophobicContact CG1-CG1 4.38Å; I107-I111 WeakPolarHBondContact O-CG1 3.08Å; I107-I111 PolarHBondContact O-N 2.91Å |
| 108 | T | 98.7 | Very high | 98.5 | Very high | 56 Ų | 56 | 38.1 Ų | 38.1 | 34% | 0.344 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -56 | -46.3 | -179.1 | -62.9 | 0 | 0 | 0 | 0 | 112 | D106 A110 I111 Q112 | D106-T108 VanDerWaalsContact C-N 3.27Å; D106-T108 PolarHBondContact O-N 3.2Å; D106-T108 VanDerWaalsContact OD1-CB 3.22Å; D106-T108 WeakPolarHBondContact OD1-CB 3.49Å; D106-T108 PolarHBondContact OD1-N 2.87Å; D106-T108 PolarHBondContact OD1-OG1 3.4Å; T108-A110 VanDerWaalsContact C-N 3.34Å; T108-A110 PolarHBondContact O-N 3.26Å; T108-I111 PolarHBondContact O-N 3.47Å; T108-Q112 WeakPolarHBondContact O-CG 3.5Å; T108-Q112 PolarHBondContact O-N 2.93Å |
| 109 | A | 98.7 | Very high | 98.5 | Very high | 35 Ų | 35 | 39.6 Ų | 39.6 | 29% | 0.289 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.2 | -40 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A101 I107 Q112 C113 | A101-A109 HydrophobicContact CB-CB 4.25Å; I107-A109 VanDerWaalsContact C-N 3.34Å; I107-A109 PolarHBondContact O-N 3.06Å; A109-Q112 PolarHBondContact O-N 3.31Å; A109-C113 WeakPolarHBondContact O-CB 3.03Å; A109-C113 PolarHBondContact O-N 3.2Å |
| 110 | A | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 3% | 0.025 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.7 | -40.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I74 F75 L102 I107 T108 C113 A114 | I74-A110 HydrophobicContact CG2-CB 4.35Å; F75-A110 HydrophobicContact CD2-CB 4.03Å; F75-A110 HydrophobicContact CE2-CB 4.23Å; L102-A110 HydrophobicContact CD2-CB 3.98Å; I107-A110 HydrophobicContact CB-CB 4.36Å; I107-A110 WeakPolarHBondContact O-CB 3.5Å; I107-A110 PolarHBondContact O-N 3.16Å; I107-A110 VanDerWaalsContact O-N 3.1Å; T108-A110 VanDerWaalsContact C-N 3.34Å; T108-A110 PolarHBondContact O-N 3.26Å; A110-C113 PolarHBondContact O-N 3.31Å; A110-A114 WeakPolarHBondContact O-CB 3.3Å; A110-A114 PolarHBondContact O-N 2.97Å |
| 111 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.7 | -47.1 | 174.7 | -72.7 | 169.3 | 0 | 0 | 0 | 111 | I29 L30 N33 M35 F75 I107 T108 C113 A114 K115 | I29-I111 HydrophobicContact CG2-CD1 4.11Å; L30-I111 HydrophobicContact CD2-CD1 3.97Å; L30-I111 HydrophobicContact CD2-CG1 3.96Å; N33-I111 HydrophobicContact CB-CD1 3.9Å; N33-I111 HydrophobicContact CB-CG2 4.04Å; M35-I111 HydrophobicContact CG-CG2 3.9Å; M35-I111 HydrophobicContact SD-CG2 3.76Å; F75-I111 HydrophobicContact CE2-CG1 4.09Å; F75-I111 HydrophobicContact CZ-CG1 4.36Å; I107-I111 HydrophobicContact CD1-CD1 3.94Å; I107-I111 HydrophobicContact CD1-CG1 4.33Å; I107-I111 HydrophobicContact CG1-CD1 3.9Å; I107-I111 HydrophobicContact CG1-CG1 4.38Å; I107-I111 WeakPolarHBondContact O-CG1 3.08Å; I107-I111 PolarHBondContact O-N 2.91Å; T108-I111 PolarHBondContact O-N 3.47Å; I111-C113 VanDerWaalsContact C-N 3.32Å; I111-C113 PolarHBondContact O-N 2.04Å; I111-A114 PolarHBondContact O-N 2.94Å; I111-K115 WeakPolarHBondContact O-CG 3.26Å; I111-K115 PolarHBondContact O-N 3.39Å |
| 112 | Q | 98.9 | Very high | 98.4 | Very high | 94 Ų | 94 | 49.9 Ų | 49.9 | 44% | 0.439 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63 | -40.5 | 179.2 | -65.6 | -54.1 | -27.8 | 0 | 0 | 111.9 | T108 A109 K115 R116 | T108-Q112 WeakPolarHBondContact O-CG 3.5Å; T108-Q112 PolarHBondContact O-N 2.93Å; A109-Q112 PolarHBondContact O-N 3.31Å; Q112-K115 WeakPolarHBondContact O-CB 3.2Å; Q112-K115 PolarHBondContact O-N 2.96Å; Q112-R116 PolarHBondContact O-N 3.45Å |
| 113 | C | 98.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.02 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.9 | -40 | 176.5 | -170.4 | 0 | 0 | 0 | 0 | 111.8 | I77 C95 I97 L102 A109 A110 I111 K115 R116 V117 | I77-C113 HydrophobicContact CD1-CB 3.82Å; C95-C113 HydrophobicContact CB-CB 3.8Å; C95-C113 WeakPolarHBondContact CB-SG 3.07Å; C95-C113 WeakPolarHBondContact SG-CA 3.49Å; C95-C113 WeakPolarHBondContact SG-CB 3.28Å; C95-C113 CovalentContact SG-SG 2.04Å; C95-C113 PolarHBondContact SG-SG 3.34Å; I97-C113 HydrophobicContact CD1-CB 4.04Å; L102-C113 HydrophobicContact CD2-CB 4.24Å; A109-C113 WeakPolarHBondContact O-CB 3.03Å; A109-C113 PolarHBondContact O-N 3.2Å; A110-C113 PolarHBondContact O-N 3.31Å; I111-C113 VanDerWaalsContact C-N 3.32Å; I111-C113 PolarHBondContact O-N 2.04Å; C113-K115 VanDerWaalsContact C-N 3.32Å; C113-K115 PolarHBondContact O-N 3.25Å; C113-R116 CarbonylContact O-C 3.51Å; C113-R116 WeakPolarHBondContact O-CA 3.39Å; C113-R116 VanDerWaalsContact O-CB 3.28Å; C113-R116 WeakPolarHBondContact O-CB 3.26Å; C113-R116 PolarHBondContact O-N 3.46Å; C113-V117 WeakPolarHBondContact O-CG2 3.39Å; C113-V117 PolarHBondContact O-N 3.12Å |
| 114 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.6 | -40.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | M35 W46 F75 I77 A110 I111 R116 V117 V118 W127 | M35-A114 HydrophobicContact CE-CB 4.16Å; W46-A114 HydrophobicContact CH2-CB 4.1Å; W46-A114 HydrophobicContact CZ3-CB 3.98Å; F75-A114 HydrophobicContact CD2-CB 3.79Å; F75-A114 HydrophobicContact CE2-CB 3.96Å; F75-A114 HydrophobicContact CG-CB 4.44Å; I77-A114 HydrophobicContact CD1-CB 4.43Å; A110-A114 WeakPolarHBondContact O-CB 3.3Å; A110-A114 PolarHBondContact O-N 2.97Å; I111-A114 PolarHBondContact O-N 2.94Å; A114-R116 VanDerWaalsContact C-N 3.26Å; A114-R116 PolarHBondContact O-N 2.91Å; A114-V117 WeakPolarHBondContact O-CB 3.3Å; A114-V117 PolarHBondContact O-N 3.16Å; A114-V118 PolarHBondContact O-N 3.42Å; A114-V118 VanDerWaalsContact O-N 3.08Å; A114-W127 HydrophobicContact CB-CH2 4.25Å; A114-W127 HydrophobicContact CB-CZ2 4.41Å |
| 115 | K | 98.9 | Very high | 98.4 | Very high | 27 Ų | 27 | 49.7 Ų | 49.7 | 12% | 0.117 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.2 | -33.4 | 170.6 | -74.2 | -174 | 177.9 | -178.6 | 0 | 112.6 | N33 G34 M35 Y38 I111 Q112 C113 R119 | N33-K115 WeakPolarHBondContact O-CE 3.3Å; N33-K115 PolarHBondContact O-NZ 2.95Å; G34-K115 WeakPolarHBondContact O-CE 3.46Å; G34-K115 PolarHBondContact O-NZ 3.29Å; M35-K115 HydrophobicContact SD-CD 4.22Å; M35-K115 VanDerWaalsContact SD-CE 3.58Å; M35-K115 HydrophobicContact SD-CG 3.6Å; M35-K115 VanDerWaalsContact SD-CG 3.6Å; Y38-K115 HydrophobicContact CD1-CB 4.17Å; Y38-K115 HydrophobicContact CD1-CD 4.37Å; Y38-K115 HydrophobicContact CD1-CG 3.76Å; Y38-K115 HydrophobicContact CD2-CD 4.22Å; Y38-K115 HydrophobicContact CD2-CG 4.48Å; Y38-K115 HydrophobicContact CE1-CB 3.53Å; Y38-K115 HydrophobicContact CE1-CD 4.21Å; Y38-K115 HydrophobicContact CE1-CG 3.62Å; Y38-K115 WeakPolarHBondContact CE1-O 3.48Å; Y38-K115 HydrophobicContact CE2-CD 4.05Å; Y38-K115 HydrophobicContact CE2-CG 4.37Å; Y38-K115 HydrophobicContact CG-CD 4.38Å; Y38-K115 HydrophobicContact CG-CG 4.2Å; I111-K115 WeakPolarHBondContact O-CG 3.26Å; I111-K115 PolarHBondContact O-N 3.39Å; Q112-K115 WeakPolarHBondContact O-CB 3.2Å; Q112-K115 PolarHBondContact O-N 2.96Å; C113-K115 VanDerWaalsContact C-N 3.32Å; C113-K115 PolarHBondContact O-N 3.25Å; K115-R119 WeakPolarHBondContact O-CG 3.21Å; K115-R119 PolarHBondContact O-NE 3.11Å |
| 116 | R | 98.8 | Very high | 98.5 | Very high | 70 Ų | 70 | 47.7 Ų | 47.7 | 26% | 0.264 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -70.5 | -42.2 | 173.6 | 172.7 | 64.4 | -169.7 | 85.2 | -0.8 | 111 | A94 Q112 C113 A114 V118 R119 D120 | A94-R116 PolarHBondContact O-NE 3.31Å; Q112-R116 PolarHBondContact O-N 3.45Å; C113-R116 CarbonylContact O-C 3.51Å; C113-R116 WeakPolarHBondContact O-CA 3.39Å; C113-R116 VanDerWaalsContact O-CB 3.28Å; C113-R116 WeakPolarHBondContact O-CB 3.26Å; C113-R116 PolarHBondContact O-N 3.46Å; A114-R116 VanDerWaalsContact C-N 3.26Å; A114-R116 PolarHBondContact O-N 2.91Å; R116-V118 PolarHBondContact O-N 2.92Å; R116-R119 WeakPolarHBondContact O-CB 3.3Å; R116-R119 PolarHBondContact O-N 3.31Å; R116-D120 IonicContact CZ-OD1 3.23Å; R116-D120 IonicContact NH1-OD1 2.74Å; R116-D120 PolarHBondContact NH1-OD1 3.37Å; R116-D120 IonicContact NH1-OD2 3.01Å; R116-D120 IonicContact NH2-OD1 3.54Å; R116-D120 PolarHBondContact NH2-OD1 3.41Å |
| 117 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.2 | -48 | 177.2 | 178 | 0 | 0 | 0 | 0 | 110.8 | W82 C113 A114 R119 D120 A126 W127 | W82-V117 HydrophobicContact CB-CG2 4.4Å; W82-V117 HydrophobicContact CD2-CG1 4.47Å; W82-V117 HydrophobicContact CD2-CG2 3.75Å; W82-V117 HydrophobicContact CE3-CG2 4.45Å; W82-V117 HydrophobicContact CG-CG2 3.68Å; W82-V117 HydrophobicContact CH2-CG1 4.39Å; W82-V117 HydrophobicContact CZ2-CG1 3.79Å; C113-V117 WeakPolarHBondContact O-CG2 3.39Å; C113-V117 PolarHBondContact O-N 3.12Å; A114-V117 WeakPolarHBondContact O-CB 3.3Å; A114-V117 PolarHBondContact O-N 3.16Å; V117-R119 PolarHBondContact O-N 2.84Å; V117-D120 VanDerWaalsContact O-CB 3.26Å; V117-D120 WeakPolarHBondContact O-CB 3.16Å; V117-D120 PolarHBondContact O-N 2.79Å; V117-A126 HydrophobicContact CG1-CB 3.84Å; V117-W127 HydrophobicContact CB-CH2 3.41Å; V117-W127 VanDerWaalsContact CB-CH2 3.41Å; V117-W127 HydrophobicContact CB-CZ2 4.09Å; V117-W127 HydrophobicContact CB-CZ3 3.92Å; V117-W127 HydrophobicContact CG1-CE3 4.09Å; V117-W127 HydrophobicContact CG1-CH2 3.32Å; V117-W127 HydrophobicContact CG1-CZ2 3.95Å; V117-W127 HydrophobicContact CG1-CZ3 3.37Å; V117-W127 HydrophobicContact CG2-CH2 3.9Å; V117-W127 HydrophobicContact CG2-CZ2 4.08Å |
| 118 | V | 98.6 | Very high | 98.5 | Very high | 8 Ų | 8 | 47.1 Ų | 47.1 | 5% | 0.048 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -3.9 | -178 | -59.4 | 0 | 0 | 0 | 0 | 114.6 | Y38 R39 V41 W46 A114 R116 I124 W127 | Y38-V118 HydrophobicContact CD1-CG2 3.63Å; Y38-V118 HydrophobicContact CE1-CG2 3.54Å; R39-V118 HydrophobicContact CB-CG2 4.26Å; R39-V118 HydrophobicContact CG-CG2 4.22Å; V41-V118 HydrophobicContact CG2-CG1 4.45Å; W46-V118 HydrophobicContact CH2-CG1 3.42Å; W46-V118 VanDerWaalsContact CH2-CG1 3.42Å; W46-V118 HydrophobicContact CH2-CG2 4.37Å; W46-V118 HydrophobicContact CZ2-CG1 3.88Å; W46-V118 HydrophobicContact CZ2-CG2 4.31Å; W46-V118 HydrophobicContact CZ3-CG1 4.42Å; A114-V118 PolarHBondContact O-N 3.42Å; A114-V118 VanDerWaalsContact O-N 3.08Å; R116-V118 PolarHBondContact O-N 2.92Å; V118-I124 HydrophobicContact CG1-CB 4.25Å; V118-W127 HydrophobicContact CG1-CH2 4.26Å; V118-W127 HydrophobicContact CG1-CZ3 3.74Å |
| 119 | R | 98.5 | Very high | 98.5 | Very high | 119 Ų | 119 | 45.1 Ų | 45.1 | 45% | 0.449 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -18.1 | 166.7 | -70 | 174.3 | -114.4 | 178 | -2.3 | 112.3 | Y38 K115 R116 V117 | Y38-R119 PolarHBondContact OH-NE 2.79Å; Y38-R119 VanDerWaalsContact OH-NE 3.11Å; K115-R119 WeakPolarHBondContact O-CG 3.21Å; K115-R119 PolarHBondContact O-NE 3.11Å; R116-R119 WeakPolarHBondContact O-CB 3.3Å; R116-R119 PolarHBondContact O-N 3.31Å; V117-R119 PolarHBondContact O-N 2.84Å |
| 120 | D | 98.2 | Very high | 98.5 | Very high | 42 Ų | 42 | 44.5 Ų | 44.5 | 23% | 0.225 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -68.8 | 156.7 | 173.1 | -67.5 | -27 | 0 | 0 | 0 | 110.3 | W82 R116 V117 Q122 G123 | W82-D120 PolarHBondContact NE1-OD2 2.82Å; R116-D120 IonicContact CZ-OD1 3.23Å; R116-D120 IonicContact NH1-OD1 2.74Å; R116-D120 PolarHBondContact NH1-OD1 3.37Å; R116-D120 IonicContact NH1-OD2 3.01Å; R116-D120 IonicContact NH2-OD1 3.54Å; R116-D120 PolarHBondContact NH2-OD1 3.41Å; V117-D120 VanDerWaalsContact O-CB 3.26Å; V117-D120 WeakPolarHBondContact O-CB 3.16Å; V117-D120 PolarHBondContact O-N 2.79Å; D120-Q122 PolarHBondContact O-N 3.19Å; D120-G123 PolarHBondContact O-N 2.81Å |
| 121 | P | 97.7 | Very high | 98.5 | Very high | 145 Ų | 145 | 49.3 Ų | 49.3 | 94% | 0.942 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -27.2 | -175.6 | -29.6 | 36.3 | 0 | 0 | 0 | 115.4 | G123 | P121-G123 VanDerWaalsContact C-N 3.32Š|
| 122 | Q | 97.7 | Very high | 98.5 | Very high | 120 Ų | 120 | 52.7 Ų | 52.7 | 56% | 0.561 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -19.7 | 177.3 | -67.7 | -172.3 | -38.1 | 0 | 0 | 113.3 | D120 R125 A126 | D120-Q122 PolarHBondContact O-N 3.19Å; Q122-R125 WeakPolarHBondContact O-CB 3.07Å; Q122-R125 PolarHBondContact O-N 3.36Å; Q122-A126 HydrophobicContact CB-CB 4.23Å |
| 123 | G | 98.3 | Very high | 98.5 | Very high | 17 Ų | 17 | 52 Ų | 52 | 18% | 0.175 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | 56.7 | -139.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D120 P121 R125 A126 | D120-G123 PolarHBondContact O-N 2.81Å; P121-G123 VanDerWaalsContact C-N 3.32Å; G123-R125 PolarHBondContact O-N 3.14Å; G123-A126 WeakPolarHBondContact O-CB 3.4Å; G123-A126 PolarHBondContact O-N 2.7Å |
| 124 | I | 98.6 | Very high | 98.5 | Very high | 16 Ų | 16 | 52 Ų | 52 | 8% | 0.082 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -66.2 | -15 | 175.5 | -167.9 | 160.9 | 0 | 0 | 0 | 113.6 | V41 D45 W46 L49 V118 A126 W127 W130 | V41-I124 HydrophobicContact CG1-CD1 3.4Å; V41-I124 HydrophobicContact CG2-CB 3.95Å; V41-I124 HydrophobicContact CG2-CD1 4.36Å; V41-I124 HydrophobicContact CG2-CG2 4.11Å; D45-I124 HydrophobicContact CB-CD1 3.97Å; W46-I124 HydrophobicContact CE3-CD1 4.46Å; L49-I124 HydrophobicContact CD1-CD1 3.89Å; L49-I124 HydrophobicContact CD1-CG1 3.86Å; V118-I124 HydrophobicContact CG1-CB 4.25Å; I124-A126 PolarHBondContact O-N 3.46Å; I124-A126 VanDerWaalsContact O-N 3.16Å; I124-W127 HydrophobicContact CG1-CE3 4.19Å; I124-W127 PolarHBondContact O-N 3.14Å; I124-W130 HydrophobicContact CB-CD2 4.44Å; I124-W130 HydrophobicContact CD1-CD2 4.03Å; I124-W130 HydrophobicContact CD1-CG 3.85Å; I124-W130 HydrophobicContact CG1-CB 4.34Å; I124-W130 HydrophobicContact CG1-CD2 3.73Å; I124-W130 HydrophobicContact CG1-CE3 4.29Å; I124-W130 HydrophobicContact CG1-CG 3.73Å; I124-W130 HydrophobicContact CG2-CD2 3.97Å; I124-W130 HydrophobicContact CG2-CE3 3.95Å; I124-W130 HydrophobicContact CG2-CH2 3.67Å; I124-W130 HydrophobicContact CG2-CZ2 3.66Å; I124-W130 HydrophobicContact CG2-CZ3 3.83Å |
| 125 | R | 98.4 | Very high | 98.4 | Very high | 117 Ų | 117 | 54.4 Ų | 54.4 | 44% | 0.442 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -70.3 | -9.4 | 177.9 | -57.2 | 170.3 | 60.9 | 75.7 | -0.5 | 112.9 | Q122 G123 W127 W130 R131 | Q122-R125 WeakPolarHBondContact O-CB 3.07Å; Q122-R125 PolarHBondContact O-N 3.36Å; G123-R125 PolarHBondContact O-N 3.14Å; R125-W127 PolarHBondContact O-N 3.35Å; R125-W130 HydrophobicContact CG-CE3 4.5Å; R125-W130 HydrophobicContact CG-CZ3 3.82Å; R125-R131 HydrophobicContact CB-CG 4.14Å; R125-R131 VanDerWaalsContact O-CD 3.29Å; R125-R131 WeakPolarHBondContact O-CD 3.11Å; R125-R131 PolarHBondContact O-NE 3.31Å |
| 126 | A | 98.5 | Very high | 98.4 | Very high | 19 Ų | 19 | 60.5 Ų | 60.5 | 16% | 0.157 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -57.1 | -31.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | W82 V117 Q122 G123 I124 | W82-A126 HydrophobicContact CH2-CB 4.1Å; W82-A126 HydrophobicContact CZ2-CB 4.19Å; V117-A126 HydrophobicContact CG1-CB 3.84Å; Q122-A126 HydrophobicContact CB-CB 4.23Å; G123-A126 WeakPolarHBondContact O-CB 3.4Å; G123-A126 PolarHBondContact O-N 2.7Å; I124-A126 PolarHBondContact O-N 3.46Å; I124-A126 VanDerWaalsContact O-N 3.16Å |
| 127 | W | 98.7 | Very high | 98.4 | Very high | 11 Ų | 11 | 64.1 Ų | 64.1 | 4% | 0.042 | 32% | 0.318 | C | S | . | . | trans | -83 | 122.2 | 176.3 | -71.7 | -89.4 | 0 | 0 | 0 | 112 | W46 L49 F75 I77 A114 V117 V118 I124 R125 W130 R131 | W46-W127 HydrophobicContact CH2-CH2 4.28Å; W46-W127 HydrophobicContact CH2-CZ3 4.44Å; W46-W127 HydrophobicContact CZ3-CH2 4.04Å; W46-W127 HydrophobicContact CZ3-CZ3 4.3Å; L49-W127 HydrophobicContact CD1-CB 3.94Å; L49-W127 HydrophobicContact CD1-CD2 3.62Å; L49-W127 HydrophobicContact CD1-CE3 3.86Å; L49-W127 HydrophobicContact CD1-CG 3.66Å; L49-W127 HydrophobicContact CD1-CZ3 4.47Å; L49-W127 HydrophobicContact CD2-CG 4.48Å; L49-W127 HydrophobicContact CG-CB 4.39Å; L49-W127 HydrophobicContact CG-CG 4.19Å; F75-W127 HydrophobicContact CB-CZ2 4.49Å; F75-W127 PolarHBondContact O-NE1 3.08Å; I77-W127 HydrophobicContact CG1-CZ2 4.32Å; A114-W127 HydrophobicContact CB-CH2 4.25Å; A114-W127 HydrophobicContact CB-CZ2 4.41Å; V117-W127 HydrophobicContact CB-CH2 3.41Å; V117-W127 VanDerWaalsContact CB-CH2 3.41Å; V117-W127 HydrophobicContact CB-CZ2 4.09Å; V117-W127 HydrophobicContact CB-CZ3 3.92Å; V117-W127 HydrophobicContact CG1-CE3 4.09Å; V117-W127 HydrophobicContact CG1-CH2 3.32Å; V117-W127 HydrophobicContact CG1-CZ2 3.95Å; V117-W127 HydrophobicContact CG1-CZ3 3.37Å; V117-W127 HydrophobicContact CG2-CH2 3.9Å; V117-W127 HydrophobicContact CG2-CZ2 4.08Å; V118-W127 HydrophobicContact CG1-CH2 4.26Å; V118-W127 HydrophobicContact CG1-CZ3 3.74Å; I124-W127 HydrophobicContact CG1-CE3 4.19Å; I124-W127 PolarHBondContact O-N 3.14Å; R125-W127 PolarHBondContact O-N 3.35Å; W127-W130 HydrophobicContact CB-CB 4.01Å; W127-R131 PolarHBondContact O-N 2.86Å | ||
| 128 | V | 97.9 | Very high | 98.3 | Very high | 87 Ų | 87 | 69.5 Ų | 69.5 | 53% | 0.527 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.4 | -41.4 | 177.6 | 178.6 | 0 | 0 | 0 | 0 | 110.6 | W130 R131 T132 | V128-W130 VanDerWaalsContact C-N 3.35Å; V128-W130 PolarHBondContact O-N 3.27Å; V128-R131 PolarHBondContact O-N 2.86Å; V128-T132 HydrophobicContact CG1-CG2 4.36Å; V128-T132 WeakPolarHBondContact O-CG2 3.47Å; V128-T132 PolarHBondContact O-N 2.81Å; V128-T132 VanDerWaalsContact O-N 3.08Å; V128-T132 PolarHBondContact O-OG1 2.9Å |
| 129 | A | 98.1 | Very high | 98.3 | Very high | 15 Ų | 15 | 69.9 Ų | 69.9 | 12% | 0.124 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.1 | -41.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111 | H52 E53 R131 T132 Q133 | H52-A129 HydrophobicContact CB-CB 3.96Å; E53-A129 HydrophobicContact CG-CB 3.9Å; E53-A129 WeakPolarHBondContact OE1-CB 3.38Å; E53-A129 PolarHBondContact OE1-N 2.98Å; A129-R131 PolarHBondContact O-N 3Å; A129-T132 PolarHBondContact O-N 3.21Å; A129-T132 PolarHBondContact O-OG1 3.28Å; A129-Q133 WeakPolarHBondContact O-CA 3.22Å; A129-Q133 WeakPolarHBondContact O-CB 3.5Å; A129-Q133 WeakPolarHBondContact O-CG 3.5Å; A129-Q133 PolarHBondContact O-N 2.99Å |
| 130 | W | 98.8 | Very high | 98.3 | Very high | 21 Ų | 21 | 66.3 Ų | 66.3 | 8% | 0.08 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 175.5 | -178.4 | 87.8 | 0 | 0 | 0 | 112.4 | D45 L49 I124 R125 W127 V128 T132 C134 Q135 | D45-W130 WeakPolarHBondContact OD1-CZ2 3.22Å; D45-W130 PolarHBondContact OD1-NE1 3.37Å; L49-W130 HydrophobicContact CB-CB 4.34Å; L49-W130 HydrophobicContact CD1-CB 4.04Å; L49-W130 HydrophobicContact CD1-CG 4.46Å; L49-W130 HydrophobicContact CG-CB 4.27Å; I124-W130 HydrophobicContact CB-CD2 4.44Å; I124-W130 HydrophobicContact CD1-CD2 4.03Å; I124-W130 HydrophobicContact CD1-CG 3.85Å; I124-W130 HydrophobicContact CG1-CB 4.34Å; I124-W130 HydrophobicContact CG1-CD2 3.73Å; I124-W130 HydrophobicContact CG1-CE3 4.29Å; I124-W130 HydrophobicContact CG1-CG 3.73Å; I124-W130 HydrophobicContact CG2-CD2 3.97Å; I124-W130 HydrophobicContact CG2-CE3 3.95Å; I124-W130 HydrophobicContact CG2-CH2 3.67Å; I124-W130 HydrophobicContact CG2-CZ2 3.66Å; I124-W130 HydrophobicContact CG2-CZ3 3.83Å; R125-W130 HydrophobicContact CG-CE3 4.5Å; R125-W130 HydrophobicContact CG-CZ3 3.82Å; W127-W130 HydrophobicContact CB-CB 4.01Å; V128-W130 VanDerWaalsContact C-N 3.35Å; V128-W130 PolarHBondContact O-N 3.27Å; W130-T132 VanDerWaalsContact C-N 3.27Å; W130-T132 PolarHBondContact O-N 3.33Å; W130-C134 HydrophobicContact CB-CB 4.48Å; W130-C134 HydrophobicContact CD2-CB 4.45Å; W130-C134 HydrophobicContact CG-CB 3.91Å; W130-C134 CarbonylContact O-C 3.6Å; W130-C134 WeakPolarHBondContact O-CA 3.31Å; W130-C134 VanDerWaalsContact O-CB 3.28Å; W130-C134 WeakPolarHBondContact O-CB 3.38Å; W130-C134 PolarHBondContact O-N 2.67Å; W130-Q135 HydrophobicContact CE3-CB 4.16Å; W130-Q135 HydrophobicContact CH2-CB 3.88Å; W130-Q135 HydrophobicContact CH2-CG 3.72Å; W130-Q135 HydrophobicContact CZ2-CB 4.34Å; W130-Q135 HydrophobicContact CZ2-CG 4.48Å; W130-Q135 HydrophobicContact CZ3-CB 3.75Å; W130-Q135 HydrophobicContact CZ3-CG 3.83Å; W130-Q135 PolarHBondContact O-N 3.45Å |
| 131 | R | 98.5 | Very high | 98.3 | Very high | 105 Ų | 105 | 69.3 Ų | 69.3 | 40% | 0.396 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.7 | -39.2 | 177.8 | -75.9 | -172.2 | -75.2 | 162.3 | -7.2 | 112.8 | R125 W127 V128 A129 Q135 | R125-R131 HydrophobicContact CB-CG 4.14Å; R125-R131 VanDerWaalsContact O-CD 3.29Å; R125-R131 WeakPolarHBondContact O-CD 3.11Å; R125-R131 PolarHBondContact O-NE 3.31Å; W127-R131 PolarHBondContact O-N 2.86Å; V128-R131 PolarHBondContact O-N 2.86Å; A129-R131 PolarHBondContact O-N 3Å; R131-Q135 WeakPolarHBondContact O-CB 3.2Å |
| 132 | T | 98.5 | Very high | 98.4 | Very high | 70 Ų | 70 | 63.6 Ų | 63.6 | 43% | 0.429 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -88.6 | -35.7 | -172.8 | 52.2 | 0 | 0 | 0 | 0 | 112.9 | V128 A129 W130 R137 | V128-T132 HydrophobicContact CG1-CG2 4.36Å; V128-T132 WeakPolarHBondContact O-CG2 3.47Å; V128-T132 PolarHBondContact O-N 2.81Å; V128-T132 VanDerWaalsContact O-N 3.08Å; V128-T132 PolarHBondContact O-OG1 2.9Å; A129-T132 PolarHBondContact O-N 3.21Å; A129-T132 PolarHBondContact O-OG1 3.28Å; W130-T132 VanDerWaalsContact C-N 3.27Å; W130-T132 PolarHBondContact O-N 3.33Å; T132-R137 PolarHBondContact O-NH2 3.27Å |
| 133 | Q | 98.6 | Very high | 98.4 | Very high | 81 Ų | 81 | 60.4 Ų | 60.4 | 38% | 0.379 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -107.3 | -19.8 | -170.4 | -56.5 | -59.7 | -33.3 | 0 | 0 | 114.4 | H52 A129 R137 | H52-Q133 HydrophobicContact CB-CB 4.16Å; H52-Q133 HydrophobicContact CB-CG 4.12Å; H52-Q133 VanDerWaalsContact CD2-CB 3.42Å; H52-Q133 WeakPolarHBondContact CD2-CB 3.4Å; A129-Q133 WeakPolarHBondContact O-CA 3.22Å; A129-Q133 WeakPolarHBondContact O-CB 3.5Å; A129-Q133 WeakPolarHBondContact O-CG 3.5Å; A129-Q133 PolarHBondContact O-N 2.99Å; Q133-R137 WeakPolarHBondContact O-CD 3.47Å; Q133-R137 PolarHBondContact O-NE 3.06Å |
| 134 | C | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.007 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | -39.5 | -171.9 | -53.6 | 0 | 0 | 0 | 0 | 113.4 | C48 W130 N136 R137 L139 | C48-C134 HydrophobicContact CB-CB 3.88Å; C48-C134 WeakPolarHBondContact CB-SG 3.21Å; C48-C134 VanDerWaalsContact SG-CA 3.53Å; C48-C134 WeakPolarHBondContact SG-CB 3.34Å; C48-C134 CovalentContact SG-SG 2.03Å; C48-C134 PolarHBondContact SG-SG 3.29Å; W130-C134 HydrophobicContact CB-CB 4.48Å; W130-C134 HydrophobicContact CD2-CB 4.45Å; W130-C134 HydrophobicContact CG-CB 3.91Å; W130-C134 CarbonylContact O-C 3.6Å; W130-C134 WeakPolarHBondContact O-CA 3.31Å; W130-C134 VanDerWaalsContact O-CB 3.28Å; W130-C134 WeakPolarHBondContact O-CB 3.38Å; W130-C134 PolarHBondContact O-N 2.67Å; C134-N136 PolarHBondContact O-N 3.39Å; C134-R137 PolarHBondContact O-N 2.74Å; C134-L139 HydrophobicContact CB-CD1 4.04Å; C134-L139 HydrophobicContact CB-CD2 4.27Å |
| 135 | Q | 98.4 | Very high | 98.4 | Very high | 51 Ų | 51 | 71.9 Ų | 71.9 | 24% | 0.238 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 135.7 | -174.1 | -172.3 | 176.2 | 8 | 0 | 0 | 112 | W130 R131 R137 | W130-Q135 HydrophobicContact CE3-CB 4.16Å; W130-Q135 HydrophobicContact CH2-CB 3.88Å; W130-Q135 HydrophobicContact CH2-CG 3.72Å; W130-Q135 HydrophobicContact CZ2-CB 4.34Å; W130-Q135 HydrophobicContact CZ2-CG 4.48Å; W130-Q135 HydrophobicContact CZ3-CB 3.75Å; W130-Q135 HydrophobicContact CZ3-CG 3.83Å; W130-Q135 PolarHBondContact O-N 3.45Å; R131-Q135 WeakPolarHBondContact O-CB 3.2Å; Q135-R137 VanDerWaalsContact C-N 3.26Å; Q135-R137 PolarHBondContact O-N 3.3Å |
| 136 | N | 97.9 | Very high | 98.4 | Very high | 155 Ų | 155 | 66.3 Ų | 66.3 | 83% | 0.829 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 30.6 | 176.5 | -55.7 | -25.4 | 0 | 0 | 0 | 114.3 | C134 | C134-N136 PolarHBondContact O-N 3.39Š|
| 137 | R | 98.3 | Very high | 98.4 | Very high | 147 Ų | 147 | 69.4 Ų | 69.4 | 56% | 0.555 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -119.8 | 161.2 | 176.1 | -63.3 | 170.8 | -171.9 | -110.8 | 10.1 | 110.5 | T132 Q133 C134 Q135 L139 | T132-R137 PolarHBondContact O-NH2 3.27Å; Q133-R137 WeakPolarHBondContact O-CD 3.47Å; Q133-R137 PolarHBondContact O-NE 3.06Å; C134-R137 PolarHBondContact O-N 2.74Å; Q135-R137 VanDerWaalsContact C-N 3.26Å; Q135-R137 PolarHBondContact O-N 3.3Å; R137-L139 HydrophobicContact CB-CD2 4.13Å; R137-L139 PolarHBondContact O-N 2.97Å |
| 138 | D | 98.4 | Very high | 98.3 | Very high | 113 Ų | 113 | 71.5 Ų | 71.5 | 60% | 0.604 | 38% | 0.375 | S | S | * | . | trans | -73 | 110.2 | 166.6 | 179.3 | 18.7 | 0 | 0 | 0 | 110 | S140 | D138-S140 VanDerWaalsContact CG-OG 3.28Å; D138-S140 WeakPolarHBondContact OD1-CB 2.89Å; D138-S140 PolarHBondContact OD1-N 2.65Å; D138-S140 PolarHBondContact OD1-OG 3.24Å; D138-S140 PolarHBondContact OD2-OG 3.21Å | ||
| 139 | L | 98.7 | Very high | 98.3 | Very high | 16 Ų | 16 | 70.7 Ų | 70.7 | 8% | 0.084 | 37% | 0.368 | C | S | . | . | trans | -97.2 | 8 | 178.8 | -54.8 | -174 | 0 | 0 | 0 | 112.8 | A44 D45 C48 C134 R137 Q141 Y142 | A44-L139 HydrophobicContact CB-CB 3.7Å; A44-L139 WeakPolarHBondContact CB-O 3.2Å; D45-L139 HydrophobicContact CB-CD1 4.43Å; D45-L139 VanDerWaalsContact OD1-CD1 3.3Å; D45-L139 WeakPolarHBondContact OD1-CD1 3.49Å; C48-L139 HydrophobicContact CB-CD1 4.09Å; C48-L139 HydrophobicContact CB-CD2 4.16Å; C134-L139 HydrophobicContact CB-CD1 4.04Å; C134-L139 HydrophobicContact CB-CD2 4.27Å; R137-L139 HydrophobicContact CB-CD2 4.13Å; R137-L139 PolarHBondContact O-N 2.97Å; L139-Q141 PolarHBondContact O-N 2.61Å; L139-Q141 VanDerWaalsContact O-N 3.07Å; L139-Y142 HydrophobicContact CB-CD2 3.91Å; L139-Y142 HydrophobicContact CD2-CD2 3.94Å; L139-Y142 HydrophobicContact CD2-CE2 3.73Å; L139-Y142 HydrophobicContact CG-CD2 4.48Å; L139-Y142 WeakPolarHBondContact O-CB 3.4Å; L139-Y142 WeakPolarHBondContact O-CD2 3.27Å; L139-Y142 PolarHBondContact O-N 3.03Å | ||
| 140 | S | 98.4 | Very high | 98.3 | Very high | 44 Ų | 44 | 73.6 Ų | 73.6 | 31% | 0.308 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -52.5 | -35.4 | -178.4 | 66.9 | 0 | 0 | 0 | 0 | 112.8 | D138 Y142 I143 R144 | D138-S140 VanDerWaalsContact CG-OG 3.28Å; D138-S140 WeakPolarHBondContact OD1-CB 2.89Å; D138-S140 PolarHBondContact OD1-N 2.65Å; D138-S140 PolarHBondContact OD1-OG 3.24Å; D138-S140 PolarHBondContact OD2-OG 3.21Å; S140-Y142 PolarHBondContact O-N 2.91Å; S140-I143 PolarHBondContact O-N 3.46Å; S140-R144 WeakPolarHBondContact O-CB 3.28Å; S140-R144 PolarHBondContact O-N 2.89Å; S140-R144 PolarHBondContact OG-NH2 2.89Å |
| 141 | Q | 98.4 | Very high | 98.3 | Very high | 104 Ų | 104 | 76.6 Ų | 76.6 | 49% | 0.486 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58.9 | -27.8 | 177.2 | 65.6 | 178.9 | -42.5 | 0 | 0 | 114 | R23 L139 I143 | R23-Q141 PolarHBondContact NH1-O 2.84Å; R23-Q141 VanDerWaalsContact NH1-O 3.16Å; L139-Q141 PolarHBondContact O-N 2.61Å; L139-Q141 VanDerWaalsContact O-N 3.07Å; Q141-I143 VanDerWaalsContact C-N 3.26Å; Q141-I143 PolarHBondContact O-N 3.26Å |
| 142 | Y | 98.7 | Very high | 98.3 | Very high | 26 Ų | 26 | 74.9 Ų | 74.9 | 10% | 0.102 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -71.4 | -23.8 | -177.2 | -71.9 | -78.3 | 0 | 0 | 0 | 112.7 | R23 V47 C48 Q51 H52 L139 S140 | R23-Y142 WeakPolarHBondContact CD-O 3.29Å; R23-Y142 WeakPolarHBondContact CG-O 3.18Å; R23-Y142 VanDerWaalsContact NH1-C 3.3Å; R23-Y142 PolarHBondContact NH1-O 3.03Å; V47-Y142 HydrophobicContact CG1-CD1 4.09Å; C48-Y142 HydrophobicContact CB-CD1 4.07Å; C48-Y142 HydrophobicContact CB-CD2 3.71Å; C48-Y142 HydrophobicContact CB-CE1 3.98Å; C48-Y142 HydrophobicContact CB-CE2 3.61Å; C48-Y142 HydrophobicContact CB-CG 3.93Å; C48-Y142 VanDerWaalsContact SG-CE2 3.52Å; C48-Y142 VanDerWaalsContact SG-CZ 3.52Å; Q51-Y142 HydrophobicContact CB-CE1 3.92Å; Q51-Y142 HydrophobicContact CG-CE1 4.03Å; H52-Y142 PolarHBondContact NE2-OH 3.28Å; L139-Y142 HydrophobicContact CB-CD2 3.91Å; L139-Y142 HydrophobicContact CD2-CD2 3.94Å; L139-Y142 HydrophobicContact CD2-CE2 3.73Å; L139-Y142 HydrophobicContact CG-CD2 4.48Å; L139-Y142 WeakPolarHBondContact O-CB 3.4Å; L139-Y142 WeakPolarHBondContact O-CD2 3.27Å; L139-Y142 PolarHBondContact O-N 3.03Å; S140-Y142 PolarHBondContact O-N 2.91Å |
| 143 | I | 98.7 | Very high | 98.3 | Very high | 52 Ų | 52 | 75.2 Ų | 75.2 | 27% | 0.267 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -117.1 | -4.6 | 178.8 | 59 | 170.4 | 0 | 0 | 0 | 113.5 | A27 L43 A44 S140 Q141 N145 C146 V148 | A27-I143 HydrophobicContact CB-CG2 4.5Å; L43-I143 HydrophobicContact CB-CG2 4.37Å; L43-I143 HydrophobicContact CD2-CG2 4.01Å; L43-I143 HydrophobicContact CG-CG2 3.9Å; A44-I143 HydrophobicContact CB-CD1 4.33Å; A44-I143 HydrophobicContact CB-CG1 4.3Å; A44-I143 HydrophobicContact CB-CG2 4.08Å; S140-I143 PolarHBondContact O-N 3.46Å; Q141-I143 VanDerWaalsContact C-N 3.26Å; Q141-I143 PolarHBondContact O-N 3.26Å; I143-N145 PolarHBondContact O-N 3.21Å; I143-C146 WeakPolarHBondContact O-CB 3.25Å; I143-C146 PolarHBondContact O-N 3.49Å; I143-C146 VanDerWaalsContact O-N 3.16Å; I143-C146 PolarHBondContact O-SG 3.45Å; I143-V148 HydrophobicContact CB-CG2 3.93Å; I143-V148 HydrophobicContact CG2-CG2 4.17Å |
| 144 | R | 98.5 | Very high | 98.3 | Very high | 125 Ų | 125 | 74.8 Ų | 74.8 | 47% | 0.472 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | 131.8 | -179.6 | -168.9 | 177.3 | -62.1 | 137.4 | 2 | 111.4 | R23 S140 C146 | R23-R144 PolarHBondContact NH1-O 3.08Å; R23-R144 PolarHBondContact NH2-O 2.85Å; S140-R144 WeakPolarHBondContact O-CB 3.28Å; S140-R144 PolarHBondContact O-N 2.89Å; S140-R144 PolarHBondContact OG-NH2 2.89Å; R144-C146 PolarHBondContact O-N 3.4Å |
| 145 | N | 98.4 | Very high | 98.2 | Very high | 149 Ų | 149 | 80.1 Ų | 80.1 | 80% | 0.797 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 22.2 | 178.4 | -54 | -24.1 | 0 | 0 | 0 | 114.9 | I143 | I143-N145 PolarHBondContact O-N 3.21Š|
| 146 | C | 98.5 | Very high | 98.2 | Very high | 1 Ų | 1 | 82.3 Ų | 82.3 | 1% | 0.007 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -92.4 | -13.4 | 177.5 | -59.7 | 0 | 0 | 0 | 0 | 114.5 | R23 C24 A27 R28 I143 R144 V148 | R23-C146 PolarHBondContact NH1-SG 2.86Å; C24-C146 WeakPolarHBondContact CA-SG 3.47Å; C24-C146 HydrophobicContact CB-CB 3.64Å; C24-C146 WeakPolarHBondContact CB-SG 3.25Å; C24-C146 WeakPolarHBondContact SG-CA 3.46Å; C24-C146 WeakPolarHBondContact SG-CB 3.47Å; C24-C146 CovalentContact SG-SG 2.05Å; C24-C146 PolarHBondContact SG-SG 2.69Å; A27-C146 HydrophobicContact CB-CB 4.48Å; R28-C146 VanDerWaalsContact CZ-O 3.25Å; R28-C146 PolarHBondContact NE-O 2.6Å; R28-C146 PolarHBondContact NH2-O 3.12Å; I143-C146 WeakPolarHBondContact O-CB 3.25Å; I143-C146 PolarHBondContact O-N 3.49Å; I143-C146 VanDerWaalsContact O-N 3.16Å; I143-C146 PolarHBondContact O-SG 3.45Å; R144-C146 PolarHBondContact O-N 3.4Å; C146-V148 HydrophobicContact CB-CG1 4.39Å; C146-V148 HydrophobicContact CB-CG2 3.93Å |
| 147 | G | 97.7 | Very high | 98.3 | Very high | 83 Ų | 83 | 76.3 Ų | 76.3 | 86% | 0.856 | 41% | 0.406 | S | S | * | . | trans | 67.8 | 40.2 | -175 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 148 | V | 96.6 | Very high | 98.3 | Very high | 55 Ų | 55 | 69.8 Ų | 69.8 | 33% | 0.333 | 39% | 0.392 | S | S | . | . | trans | -125.2 | 0 | 177.6 | -63 | 0 | 0 | 0 | 0 | 109.7 | A27 R28 K31 L43 I143 C146 | A27-V148 HydrophobicContact CB-CG2 4.31Å; R28-V148 HydrophobicContact CB-CG1 4.34Å; R28-V148 HydrophobicContact CG-CG1 3.55Å; K31-V148 HydrophobicContact CD-CB 3.83Å; K31-V148 HydrophobicContact CD-CG1 4.25Å; K31-V148 WeakPolarHBondContact CD-OXT 3.28Å; K31-V148 PolarHBondContact NZ-OXT 2.75Å; L43-V148 HydrophobicContact CD2-CB 3.75Å; L43-V148 HydrophobicContact CD2-CG1 4.43Å; L43-V148 HydrophobicContact CD2-CG2 3.51Å; I143-V148 HydrophobicContact CB-CG2 3.93Å; I143-V148 HydrophobicContact CG2-CG2 4.17Å; C146-V148 HydrophobicContact CB-CG1 4.39Å; C146-V148 HydrophobicContact CB-CG2 3.93Å |
Retrieved 148 of 148 residues in 96.1 ms
(Link to these results)