| 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 | 44.4 | Very low | 45.7 | Very low | 228 Ų | 228 | 134.9 Ų | 134.9 | 100% | 1.123 | 73% | 0.729 | S | S | * | * | 0 | 38.8 | 0 | -157.5 | 169 | 73.5 | 0 | 0 | 112 | |||||
| 2 | L | 48.7 | Very low | 45.9 | Very low | 156 Ų | 156 | 128.1 Ų | 128.1 | 82% | 0.817 | 70% | 0.699 | S | S | * | * | trans | -129.3 | -11.2 | 178.3 | -91.1 | 150.6 | 0 | 0 | 0 | 112.4 | F4 | L2-F4 VanDerWaalsContact C-N 3.35Š| ||
| 3 | L | 45 | Very low | 46.2 | Very low | 165 Ų | 165 | 124 Ų | 124 | 86% | 0.864 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -13.6 | 178 | -78.7 | 157.4 | 0 | 0 | 0 | 113.7 | ||
| 4 | F | 45.1 | Very low | 46.6 | Very low | 176 Ų | 176 | 117.8 Ų | 117.8 | 77% | 0.772 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -13.5 | 179.3 | -75.1 | -74.8 | 0 | 0 | 0 | 114 | L2 | L2-F4 VanDerWaalsContact C-N 3.35Š|
| 5 | L | 46.6 | Very low | 47.1 | Very low | 133 Ų | 133 | 114.4 Ų | 114.4 | 70% | 0.696 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -82.4 | -22.2 | 179.2 | -119.3 | 81.9 | 0 | 0 | 0 | 113.5 | ||
| 6 | G | 44.8 | Very low | 47.7 | Very low | 49 Ų | 49 | 114.6 Ų | 114.6 | 51% | 0.505 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -78.2 | -26 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 7 | C | 43.6 | Very low | 48.3 | Very low | 86 Ų | 86 | 108.9 Ų | 108.9 | 58% | 0.581 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -77.2 | -24.2 | 178.3 | -93.5 | 0 | 0 | 0 | 0 | 113.5 | T10 L11 | C7-T10 PolarHBondContact O-OG1 2.91Å; C7-L11 WeakPolarHBondContact O-CD1 3.49Å |
| 8 | L | 44.2 | Very low | 49.1 | Very low | 129 Ų | 129 | 110.3 Ų | 110.3 | 68% | 0.675 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -75.5 | -25.9 | -178.2 | -87.7 | 145.3 | 0 | 0 | 0 | 113.2 | ||
| 9 | L | 46.5 | Very low | 50.5 | Low | 128 Ų | 128 | 110.6 Ų | 110.6 | 67% | 0.67 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -80.3 | -32.4 | -179.6 | -71.3 | 167.7 | 0 | 0 | 0 | 112.8 | S12 | L9-S12 PolarHBondContact O-N 3.43Å; L9-S12 PolarHBondContact O-OG 2.71Å |
| 10 | T | 47.1 | Very low | 52.2 | Low | 104 Ų | 104 | 109.2 Ų | 109.2 | 64% | 0.638 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -75.1 | -27.4 | -179.9 | 54.7 | 0 | 0 | 0 | 0 | 113.3 | C7 | C7-T10 PolarHBondContact O-OG1 2.91Å |
| 11 | L | 46.5 | Very low | 54.2 | Low | 130 Ų | 130 | 105.3 Ų | 105.3 | 68% | 0.681 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -74.2 | -27.6 | 174.9 | -88.7 | 142.2 | 0 | 0 | 0 | 113 | C7 A15 | C7-L11 WeakPolarHBondContact O-CD1 3.49Å; L11-A15 PolarHBondContact O-N 3.31Å |
| 12 | S | 48.1 | Very low | 56.7 | Low | 53 Ų | 53 | 97.8 Ų | 97.8 | 37% | 0.371 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.8 | -41.2 | -177.3 | 70.2 | 0 | 0 | 0 | 0 | 113.4 | L9 G14 A15 L16 | L9-S12 PolarHBondContact O-N 3.43Å; L9-S12 PolarHBondContact O-OG 2.71Å; S12-G14 VanDerWaalsContact C-N 3.34Å; S12-G14 PolarHBondContact O-N 3.04Å; S12-A15 PolarHBondContact O-N 2.87Å; S12-L16 PolarHBondContact O-N 2.85Å |
| 13 | S | 50.6 | Low | 58.9 | Low | 75 Ų | 75 | 92.3 Ų | 92.3 | 52% | 0.524 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -70.8 | -27.3 | -179 | -50.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 14 | G | 50.7 | Low | 61.5 | Low | 37 Ų | 37 | 85 Ų | 85 | 38% | 0.381 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -73.5 | -39.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | S12 L18 | S12-G14 VanDerWaalsContact C-N 3.34Å; S12-G14 PolarHBondContact O-N 3.04Å; G14-L18 PolarHBondContact O-N 3.2Å |
| 15 | A | 54.9 | Low | 63.9 | Low | 67 Ų | 67 | 76.8 Ų | 76.8 | 55% | 0.554 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -69.7 | -43.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L11 S12 C17 L18 D19 | L11-A15 PolarHBondContact O-N 3.31Å; S12-A15 PolarHBondContact O-N 2.87Å; A15-C17 PolarHBondContact O-N 3.05Å; A15-L18 PolarHBondContact O-N 3.16Å; A15-D19 PolarHBondContact O-N 2.93Å |
| 16 | L | 56.1 | Low | 66.3 | Low | 117 Ų | 117 | 75 Ų | 75 | 61% | 0.613 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -61.2 | -31.4 | 176.8 | -76.7 | 161.3 | 0 | 0 | 0 | 113.1 | S12 | S12-L16 PolarHBondContact O-N 2.85Å |
| 17 | C | 59 | Low | 68.8 | Low | 18 Ų | 18 | 73.2 Ų | 73.2 | 12% | 0.122 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -77.1 | -36.3 | 179.2 | -174.3 | 0 | 0 | 0 | 0 | 112.5 | A15 D19 Q20 Q219 | A15-C17 PolarHBondContact O-N 3.05Å; C17-D19 VanDerWaalsContact C-N 3.27Å; C17-D19 PolarHBondContact O-N 2.93Å; C17-Q20 PolarHBondContact O-N 3.17Å; C17-Q219 PolarHBondContact SG-NE2 3.47Å |
| 18 | L | 62.5 | Low | 71.3 | Confident | 135 Ų | 135 | 73.3 Ų | 73.3 | 71% | 0.707 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -66.6 | -34.4 | 176.2 | -147.3 | 88 | 0 | 0 | 0 | 111.4 | G14 A15 Q20 L21 | G14-L18 PolarHBondContact O-N 3.2Å; A15-L18 PolarHBondContact O-N 3.16Å; L18-Q20 PolarHBondContact O-N 3.24Å; L18-L21 PolarHBondContact O-N 3.14Å |
| 19 | D | 74.3 | Confident | 73.9 | Confident | 115 Ų | 115 | 68.9 Ų | 68.9 | 62% | 0.615 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -59.9 | -37.2 | 176.5 | -150.6 | 22.1 | 0 | 0 | 0 | 111.1 | A15 C17 L21 M23 | A15-D19 PolarHBondContact O-N 2.93Å; C17-D19 VanDerWaalsContact C-N 3.27Å; C17-D19 PolarHBondContact O-N 2.93Å; D19-L21 VanDerWaalsContact C-N 3.32Å; D19-L21 PolarHBondContact O-N 3.37Å; D19-M23 WeakPolarHBondContact O-CB 3.43Å |
| 20 | Q | 86.3 | Confident | 76.4 | Confident | 82 Ų | 82 | 64 Ų | 64 | 38% | 0.383 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -11.3 | 179.6 | -67 | -176.9 | -24.3 | 0 | 0 | 115.1 | C17 L18 M23 G101 L215 | C17-Q20 PolarHBondContact O-N 3.17Å; L18-Q20 PolarHBondContact O-N 3.24Å; Q20-M23 HydrophobicContact CB-SD 4.24Å; Q20-M23 HydrophobicContact CG-SD 4.04Å; Q20-G101 VanDerWaalsContact O-CA 3.31Å; Q20-G101 WeakPolarHBondContact O-CA 3.17Å; Q20-L215 HydrophobicContact CB-CD1 4.44Å; Q20-L215 HydrophobicContact CB-CD2 3.8Å |
| 21 | L | 93.1 | Very high | 78.8 | Confident | 29 Ų | 29 | 61.4 Ų | 61.4 | 15% | 0.152 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -31 | -179 | 179.9 | 57.3 | 0 | 0 | 0 | 112.5 | L18 D19 H99 A211 E212 L215 | L18-L21 PolarHBondContact O-N 3.14Å; D19-L21 VanDerWaalsContact C-N 3.32Å; D19-L21 PolarHBondContact O-N 3.37Å; L21-H99 PolarHBondContact O-ND1 3.43Å; L21-A211 HydrophobicContact CD1-CB 3.74Å; L21-E212 HydrophobicContact CD1-CB 4.46Å; L21-E212 HydrophobicContact CD1-CG 3.57Å; L21-E212 HydrophobicContact CD2-CG 3.69Å; L21-E212 HydrophobicContact CG-CG 4.3Å; L21-L215 HydrophobicContact CB-CD1 3.78Å; L21-L215 HydrophobicContact CD1-CD1 4.1Å |
| 22 | N | 96.1 | Very high | 81.2 | Confident | 70 Ų | 70 | 61.6 Ų | 61.6 | 37% | 0.374 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -141.8 | 72.6 | -173.3 | -171.7 | 57.4 | 0 | 0 | 0 | 110.2 | P34 N50 P98 | N22-P34 WeakPolarHBondContact ND2-CG 3.27Å; N22-P34 WeakPolarHBondContact O-CG 3.39Å; N22-N50 PolarHBondContact OD1-ND2 2.66Å; N22-P98 WeakPolarHBondContact CA-O 3.05Å |
| 23 | M | 96.4 | Very high | 83.5 | Confident | 41 Ų | 41 | 66.2 Ų | 66.2 | 20% | 0.202 | 37% | 0.367 | C | S | . | . | trans | -137 | 162.5 | -176.8 | 65.4 | 175.4 | -57.3 | 0 | 0 | 111.7 | D19 Q20 P98 I104 | D19-M23 WeakPolarHBondContact O-CB 3.43Å; Q20-M23 HydrophobicContact CB-SD 4.24Å; Q20-M23 HydrophobicContact CG-SD 4.04Å; M23-P98 PolarHBondContact N-O 3.15Å; M23-P98 CarbonylContact O-C 3.42Å; M23-P98 WeakPolarHBondContact O-CA 3.38Å; M23-P98 VanDerWaalsContact O-O 3.13Å; M23-I104 HydrophobicContact CE-CD1 4Å; M23-I104 HydrophobicContact CG-CD1 4.11Å; M23-I104 HydrophobicContact SD-CD1 3.95Å | ||
| 24 | C | 98.2 | Very high | 85.8 | Confident | 10 Ų | 10 | 63.8 Ų | 63.8 | 7% | 0.068 | 35% | 0.35 | C | S | . | . | trans | -107.4 | 139.3 | 170.9 | -57.1 | 0 | 0 | 0 | 0 | 109.7 | H30 K31 C52 | C24-H30 HydrophobicContact CB-CB 4.43Å; C24-K31 WeakPolarHBondContact CB-O 3.49Å; C24-C52 WeakPolarHBondContact CA-SG 3.41Å; C24-C52 HydrophobicContact CB-CB 3.7Å; C24-C52 WeakPolarHBondContact CB-SG 3.06Å; C24-C52 WeakPolarHBondContact SG-CA 3.49Å; C24-C52 WeakPolarHBondContact SG-CB 3.3Å; C24-C52 CovalentContact SG-SG 2.03Å; C24-C52 PolarHBondContact SG-SG 2.9Å | ||
| 25 | M | 96.9 | Very high | 88 | Confident | 4 Ų | 4 | 62.8 Ų | 62.8 | 2% | 0.02 | 34% | 0.34 | C | S | . | . | trans | -72.1 | 147.2 | 173.2 | 72.1 | -173.8 | 88.3 | 0 | 0 | 110.2 | A27 H30 Y94 L100 I104 E114 I116 | M25-A27 HydrophobicContact CG-CB 3.85Å; M25-A27 PolarHBondContact O-N 2.77Å; M25-A27 HydrophobicContact SD-CB 4.09Å; M25-H30 WeakPolarHBondContact O-CB 3.4Å; M25-H30 VanDerWaalsContact O-CG 3.26Å; M25-Y94 HydrophobicContact CE-CD2 3.9Å; M25-Y94 HydrophobicContact CE-CE2 3.74Å; M25-Y94 WeakPolarHBondContact CE-O 3.05Å; M25-Y94 HydrophobicContact SD-CD2 4.22Å; M25-Y94 HydrophobicContact SD-CE2 3.43Å; M25-Y94 WeakPolarHBondContact SD-CE2 3.28Å; M25-L100 HydrophobicContact CE-CB 4.43Å; M25-L100 HydrophobicContact CE-CD1 3.6Å; M25-I104 HydrophobicContact CB-CD1 3.62Å; M25-I104 HydrophobicContact CB-CG1 4.04Å; M25-I104 HydrophobicContact CB-CG2 4.19Å; M25-E114 HydrophobicContact CB-CB 4.29Å; M25-I116 HydrophobicContact CE-CG2 3.66Å; M25-I116 HydrophobicContact SD-CG2 4.29Å | ||
| 26 | N | 96.6 | Very high | 90 | Very high | 97 Ų | 97 | 64.6 Ų | 64.6 | 52% | 0.519 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -80.3 | 69.8 | 171.7 | -169.6 | -6.8 | 0 | 0 | 0 | 111.1 | K113 E114 | N26-K113 HydrophobicContact CB-CB 4.36Å; N26-K113 PolarHBondContact O-N 2.99Å; N26-E114 HydrophobicContact CB-CB 4.45Å; N26-E114 HydrophobicContact CB-CG 4.15Å; N26-E114 WeakPolarHBondContact CB-OE2 3.44Å; N26-E114 PolarHBondContact N-OE2 3.19Å; N26-E114 PolarHBondContact O-N 3.36Å |
| 27 | A | 96.8 | Very high | 91.9 | Very high | 11 Ų | 11 | 61.1 Ų | 61.1 | 9% | 0.091 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -106 | -161.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | M25 H30 Y94 R112 | M25-A27 HydrophobicContact CG-CB 3.85Å; M25-A27 PolarHBondContact O-N 2.77Å; M25-A27 HydrophobicContact SD-CB 4.09Å; A27-H30 WeakPolarHBondContact CB-ND1 3.36Å; A27-Y94 WeakPolarHBondContact CB-OH 3.3Å; A27-R112 HydrophobicContact CB-CB 3.9Å |
| 28 | K | 97.3 | Very high | 93.1 | Very high | 88 Ų | 88 | 63.8 Ų | 63.8 | 38% | 0.383 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -71.4 | -37.2 | -164 | -167 | 177.1 | 171.8 | -168.9 | 0 | 114.2 | L68 Y69 W111 | K28-L68 WeakPolarHBondContact CE-O 3.49Å; K28-L68 PolarHBondContact NZ-O 2.96Å; K28-Y69 HydrophobicContact CB-CE1 4.32Å; K28-Y69 HydrophobicContact CD-CD1 4.23Å; K28-Y69 HydrophobicContact CD-CE1 3.85Å; K28-W111 HydrophobicContact CB-CE3 4.08Å; K28-W111 WeakPolarHBondContact CB-O 3.24Å; K28-W111 HydrophobicContact CD-CE3 4.36Å |
| 29 | H | 97.9 | Very high | 94.5 | Very high | 35 Ų | 35 | 60.8 Ų | 60.8 | 16% | 0.162 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -127.9 | 6 | -169.7 | -58.4 | -69.3 | 0 | 0 | 0 | 114.2 | T57 Y67 L68 Y69 | H29-T57 HydrophobicContact CB-CG2 4.21Å; H29-Y67 AromaticContact CE1-CD2 3.98Å; H29-Y67 AromaticContact CE1-CE2 3.79Å; H29-Y67 AromaticContact ND1-CE2 3.86Å; H29-L68 HydrophobicContact CB-CD2 4.46Å; H29-L68 VanDerWaalsContact NE2-CA 3.3Å; H29-L68 WeakPolarHBondContact NE2-CA 3.3Å; H29-L68 PolarHBondContact NE2-O 2.98Å; H29-Y69 AromaticContact CD2-CZ 3.92Å |
| 30 | H | 98.4 | Very high | 95.5 | Very high | 27 Ų | 27 | 55.9 Ų | 55.9 | 13% | 0.125 | 33% | 0.326 | C | S | . | . | trans | -71.4 | 144 | 175.7 | -66.8 | 70.9 | 0 | 0 | 0 | 111 | C24 M25 A27 Y94 E95 | C24-H30 HydrophobicContact CB-CB 4.43Å; M25-H30 WeakPolarHBondContact O-CB 3.4Å; M25-H30 VanDerWaalsContact O-CG 3.26Å; A27-H30 WeakPolarHBondContact CB-ND1 3.36Å; H30-Y94 AromaticContact CE1-CE1 3.82Å; H30-Y94 PolarHBondContact NE2-O 3.49Å; H30-E95 PolarHBondContact CD2-O 2.68Å; H30-E95 IonicContact CE1-OE2 3.01Å; H30-E95 PolarHBondContact CE1-OE2 2.82Å; H30-E95 IonicContact ND1-OE2 2.84Å; H30-E95 PolarHBondContact ND1-OE2 2.98Å; H30-E95 PolarHBondContact NE2-O 2.81Å; H30-E95 IonicContact NE2-OE2 3.6Å | ||
| 31 | K | 98.3 | Very high | 95.9 | Very high | 48 Ų | 48 | 54.3 Ų | 54.3 | 21% | 0.209 | 32% | 0.318 | C | S | . | . | trans | -66.6 | 162.8 | 161.1 | -63.8 | -175.1 | -62.2 | -177 | 0 | 109.8 | C24 E37 A51 C52 C53 T54 | C24-K31 WeakPolarHBondContact CB-O 3.49Å; K31-E37 VanDerWaalsContact NZ-CG 3.32Å; K31-E37 IonicContact NZ-OE1 3.46Å; K31-E37 PolarHBondContact NZ-OE1 2.94Å; K31-A51 WeakPolarHBondContact CE-O 3.33Å; K31-A51 PolarHBondContact NZ-O 3.34Å; K31-C52 WeakPolarHBondContact CB-O 3.3Å; K31-C52 WeakPolarHBondContact CG-O 3.49Å; K31-C52 PolarHBondContact N-O 3.4Å; K31-C53 WeakPolarHBondContact CE-O 3.48Å; K31-T54 HydrophobicContact CD-CG2 4.24Å; K31-T54 HydrophobicContact CG-CG2 4.05Å | ||
| 32 | V | 97 | Very high | 96.1 | Very high | 135 Ų | 135 | 62 Ų | 62 | 82% | 0.818 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -67.6 | -43.3 | 175 | -177.5 | 0 | 0 | 0 | 0 | 111 | ||
| 33 | E | 96.7 | Very high | 96.2 | Very high | 149 Ų | 149 | 60.1 Ų | 60.1 | 70% | 0.696 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -129.9 | 149.5 | -178.7 | -68.1 | -176.8 | -179.2 | 0 | 0 | 110.9 | ||
| 34 | P | 97.8 | Very high | 96.3 | Very high | 24 Ų | 24 | 58.1 Ų | 58.1 | 16% | 0.156 | 32% | 0.324 | C | S | . | . | trans | -73.4 | 150.9 | 176.5 | 32.6 | -36.4 | 0 | 0 | 0 | 110.9 | N22 N50 A51 P98 | N22-P34 WeakPolarHBondContact ND2-CG 3.27Å; N22-P34 WeakPolarHBondContact O-CG 3.39Å; P34-N50 WeakPolarHBondContact CB-OD1 3.48Å; P34-A51 WeakPolarHBondContact CA-O 3.37Å; P34-P98 HydrophobicContact CB-CB 3.61Å; P34-P98 HydrophobicContact CG-CB 4.15Å | ||
| 35 | G | 97.8 | Very high | 96.3 | Very high | 16 Ų | 16 | 59.4 Ų | 59.4 | 17% | 0.165 | 34% | 0.335 | C | S | . | . | B | Isolated β-bridge | trans | -173 | 173.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N50 A51 | G35-N50 PolarHBondContact N-OD1 3.04Å; G35-A51 PolarHBondContact N-O 3.39Å; G35-A51 VanDerWaalsContact N-O 3.09Å; G35-A51 PolarHBondContact O-N 3.35Å |
| 36 | P | 97.5 | Very high | 96.4 | Very high | 106 Ų | 106 | 60.9 Ų | 60.9 | 69% | 0.688 | 35% | 0.345 | S | S | * | . | trans | -61.1 | 136.2 | -179.2 | -20.9 | 31.9 | 0 | 0 | 0 | 112.5 | R48 E49 | P36-R48 CarbonylContact C-O 3.46Å; P36-E49 WeakPolarHBondContact CA-O 3.01Å | ||
| 37 | E | 95.5 | Very high | 96.5 | Very high | 43 Ų | 43 | 56.4 Ų | 56.4 | 20% | 0.201 | 32% | 0.321 | C | S | . | . | trans | -138.2 | 80.3 | 178.6 | -70.2 | -72.9 | 173.1 | 0 | 0 | 108.4 | K31 A39 L40 R48 A51 C53 | K31-E37 VanDerWaalsContact NZ-CG 3.32Å; K31-E37 IonicContact NZ-OE1 3.46Å; K31-E37 PolarHBondContact NZ-OE1 2.94Å; E37-A39 PolarHBondContact O-N 3.42Å; E37-L40 HydrophobicContact CB-CD1 4.26Å; E37-L40 HydrophobicContact CB-CD2 3.7Å; E37-L40 HydrophobicContact CB-CG 3.74Å; E37-L40 HydrophobicContact CG-CD2 4.38Å; E37-L40 WeakPolarHBondContact O-CG 3.31Å; E37-L40 PolarHBondContact O-N 2.79Å; E37-R48 CarbonylContact C-O 3.11Å; E37-R48 PolarHBondContact N-O 2.64Å; E37-R48 WeakPolarHBondContact O-CA 3.1Å; E37-R48 VanDerWaalsContact O-CB 3.32Å; E37-R48 WeakPolarHBondContact O-CB 2.97Å; E37-A51 HydrophobicContact CB-CB 4.39Å; E37-A51 HydrophobicContact CG-CB 4.24Å; E37-C53 WeakPolarHBondContact CG-O 3.47Å | ||
| 38 | G | 84.1 | Confident | 96.5 | Very high | 75 Ų | 75 | 62.1 Ų | 62.1 | 77% | 0.773 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -14 | -173 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 39 | A | 92.4 | Very high | 96.5 | Very high | 71 Ų | 71 | 64 Ų | 64 | 59% | 0.587 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | 15.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | E37 H41 A55 | E37-A39 PolarHBondContact O-N 3.42Å; A39-H41 PolarHBondContact O-N 3.07Å; A39-A55 HydrophobicContact CB-CB 3.9Å |
| 40 | L | 94.8 | Very high | 96.5 | Very high | 13 Ų | 13 | 64.6 Ų | 64.6 | 7% | 0.068 | 36% | 0.355 | C | S | . | . | trans | -60 | 130.6 | 178.1 | -64.9 | -172.1 | 0 | 0 | 0 | 112.1 | E37 C44 W47 A51 C53 S58 | E37-L40 HydrophobicContact CB-CD1 4.26Å; E37-L40 HydrophobicContact CB-CD2 3.7Å; E37-L40 HydrophobicContact CB-CG 3.74Å; E37-L40 HydrophobicContact CG-CD2 4.38Å; E37-L40 WeakPolarHBondContact O-CG 3.31Å; E37-L40 PolarHBondContact O-N 2.79Å; L40-C44 HydrophobicContact CB-CB 4.27Å; L40-C44 WeakPolarHBondContact CB-O 3.44Å; L40-C44 VanDerWaalsContact CD1-O 3.23Å; L40-C44 WeakPolarHBondContact CD1-O 2.99Å; L40-W47 HydrophobicContact CD1-CB 3.85Å; L40-A51 HydrophobicContact CD1-CB 3.76Å; L40-C53 VanDerWaalsContact CD2-SG 3.57Å; L40-S58 WeakPolarHBondContact CA-OG 3.46Å | ||
| 41 | H | 95.2 | Very high | 96.5 | Very high | 49 Ų | 49 | 63.3 Ų | 63.3 | 23% | 0.227 | 35% | 0.349 | C | S | . | . | trans | -77.3 | 129.6 | -170.4 | -166.4 | 83.8 | 0 | 0 | 0 | 112.2 | A39 Q43 C44 S58 E59 H62 | A39-H41 PolarHBondContact O-N 3.07Å; H41-Q43 PolarHBondContact O-N 2.96Å; H41-C44 WeakPolarHBondContact O-CB 3Å; H41-C44 PolarHBondContact O-N 3.13Å; H41-S58 PolarHBondContact N-OG 2.76Å; H41-E59 HydrophobicContact CB-CB 4.34Å; H41-H62 AromaticContact CD2-CD2 3.93Å; H41-H62 AromaticContact CD2-CE1 3.74Å; H41-H62 AromaticContact CD2-CG 3.72Å; H41-H62 AromaticContact CD2-ND1 3.58Å; H41-H62 AromaticContact CD2-NE2 3.95Å; H41-H62 PolarHBondContact O-CE1 3.35Å; H41-H62 VanDerWaalsContact O-CE1 3.28Å | ||
| 42 | R | 97 | Very high | 96.5 | Very high | 189 Ų | 189 | 61 Ų | 61 | 71% | 0.713 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | 40.1 | -102.8 | 167.1 | -64.7 | 179.1 | -175.2 | 167.2 | 3 | 114 | C44 A45 | R42-C44 PolarHBondContact O-N 3.03Å; R42-A45 WeakPolarHBondContact O-CB 3.49Å; R42-A45 PolarHBondContact O-N 3.5Å; R42-A45 VanDerWaalsContact O-N 3.08Å |
| 43 | Q | 98.3 | Very high | 96.6 | Very high | 31 Ų | 31 | 54.6 Ų | 54.6 | 15% | 0.145 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -69.7 | -19.7 | -172.8 | -60.7 | -165.6 | 74.3 | 0 | 0 | 113.1 | H41 P46 H62 Q85 I88 Q89 | H41-Q43 PolarHBondContact O-N 2.96Å; Q43-P46 WeakPolarHBondContact O-CD 3.39Å; Q43-H62 PolarHBondContact N-NE2 2.91Å; Q43-Q85 PolarHBondContact OE1-O 3.19Å; Q43-I88 HydrophobicContact CB-CG2 4.02Å; Q43-I88 HydrophobicContact CG-CG2 4.31Å; Q43-Q89 VanDerWaalsContact OE1-CG 3.23Å |
| 44 | C | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -87.3 | -3.3 | 174.8 | -54.8 | 0 | 0 | 0 | 0 | 113 | L40 H41 R42 P46 W47 C92 | L40-C44 HydrophobicContact CB-CB 4.27Å; L40-C44 WeakPolarHBondContact CB-O 3.44Å; L40-C44 VanDerWaalsContact CD1-O 3.23Å; L40-C44 WeakPolarHBondContact CD1-O 2.99Å; H41-C44 WeakPolarHBondContact O-CB 3Å; H41-C44 PolarHBondContact O-N 3.13Å; R42-C44 PolarHBondContact O-N 3.03Å; C44-P46 VanDerWaalsContact C-N 3.29Å; C44-W47 HydrophobicContact CB-CE3 4.45Å; C44-W47 PolarHBondContact O-N 3.25Å; C44-C92 WeakPolarHBondContact CA-SG 3.43Å; C44-C92 HydrophobicContact CB-CB 3.84Å; C44-C92 WeakPolarHBondContact CB-SG 3.37Å; C44-C92 PolarHBondContact N-SG 3.31Å; C44-C92 WeakPolarHBondContact SG-CB 3.23Å; C44-C92 CovalentContact SG-SG 2.04Å; C44-C92 PolarHBondContact SG-SG 3.3Å |
| 45 | A | 98.1 | Very high | 96.7 | Very high | 36 Ų | 36 | 50.1 Ų | 50.1 | 30% | 0.298 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -56.4 | -29.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | R42 W47 R48 | R42-A45 WeakPolarHBondContact O-CB 3.49Å; R42-A45 PolarHBondContact O-N 3.5Å; R42-A45 VanDerWaalsContact O-N 3.08Å; A45-W47 PolarHBondContact O-N 2.93Å; A45-W47 VanDerWaalsContact O-N 3.09Å; A45-R48 WeakPolarHBondContact O-CB 3.35Å; A45-R48 WeakPolarHBondContact O-CG 3.39Å; A45-R48 PolarHBondContact O-N 3.12Å; A45-R48 VanDerWaalsContact O-N 3.12Å |
| 46 | P | 98.3 | Very high | 96.7 | Very high | 35 Ų | 35 | 53.4 Ų | 53.4 | 23% | 0.227 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -58.4 | -21.7 | 178.1 | -27.2 | 36.5 | 0 | 0 | 0 | 115.1 | Q43 C44 F201 | Q43-P46 WeakPolarHBondContact O-CD 3.39Å; C44-P46 VanDerWaalsContact C-N 3.29Å; P46-F201 HydrophobicContact CB-CD2 4.04Å; P46-F201 HydrophobicContact CB-CE1 4.07Å; P46-F201 HydrophobicContact CB-CE2 3.52Å; P46-F201 HydrophobicContact CB-CG 4.5Å; P46-F201 HydrophobicContact CB-CZ 3.54Å; P46-F201 WeakPolarHBondContact CG-O 2.99Å |
| 47 | W | 98.6 | Very high | 96.7 | Very high | 3 Ų | 3 | 48.6 Ų | 48.6 | 1% | 0.011 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -94 | 0.2 | 179.8 | -63.7 | -92.3 | 0 | 0 | 0 | 114.3 | L40 C44 A45 E49 N50 A51 C92 F93 C96 L199 F201 | L40-W47 HydrophobicContact CD1-CB 3.85Å; C44-W47 HydrophobicContact CB-CE3 4.45Å; C44-W47 PolarHBondContact O-N 3.25Å; A45-W47 PolarHBondContact O-N 2.93Å; A45-W47 VanDerWaalsContact O-N 3.09Å; W47-E49 PolarHBondContact O-N 2.03Å; W47-N50 CarbonylContact O-C 3.58Å; W47-N50 PolarHBondContact O-N 2.98Å; W47-A51 HydrophobicContact CB-CB 3.96Å; W47-A51 WeakPolarHBondContact O-CB 3.26Å; W47-A51 PolarHBondContact O-N 2.89Å; W47-C92 HydrophobicContact CE3-CB 4.12Å; W47-C92 HydrophobicContact CH2-CB 3.78Å; W47-C92 HydrophobicContact CZ3-CB 3.4Å; W47-F93 HydrophobicContact CH2-CB 4.24Å; W47-F93 HydrophobicContact CZ2-CB 3.94Å; W47-F93 HydrophobicContact CZ2-CD2 4.1Å; W47-C96 HydrophobicContact CB-CB 3.87Å; W47-C96 HydrophobicContact CD2-CB 4Å; W47-C96 HydrophobicContact CE3-CB 4.38Å; W47-C96 HydrophobicContact CG-CB 3.77Å; W47-L199 WeakPolarHBondContact CH2-O 3.02Å; W47-L199 WeakPolarHBondContact CZ2-O 3.4Å; W47-F201 AromaticContact CE2-CE1 3.96Å; W47-F201 HydrophobicContact CZ2-CE1 4.07Å |
| 48 | R | 97.4 | Very high | 96.8 | Very high | 131 Ų | 131 | 46.6 Ų | 46.6 | 49% | 0.494 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -28.1 | -169.2 | 72.6 | -177.3 | -167.3 | -164.9 | -3.6 | 115.7 | P36 E37 A45 N50 | P36-R48 CarbonylContact C-O 3.46Å; E37-R48 CarbonylContact C-O 3.11Å; E37-R48 PolarHBondContact N-O 2.64Å; E37-R48 WeakPolarHBondContact O-CA 3.1Å; E37-R48 VanDerWaalsContact O-CB 3.32Å; E37-R48 WeakPolarHBondContact O-CB 2.97Å; A45-R48 WeakPolarHBondContact O-CB 3.35Å; A45-R48 WeakPolarHBondContact O-CG 3.39Å; A45-R48 PolarHBondContact O-N 3.12Å; A45-R48 VanDerWaalsContact O-N 3.12Å; R48-N50 VanDerWaalsContact C-N 3.33Å |
| 49 | E | 97.2 | Very high | 97.5 | Very high | 128 Ų | 128 | 47.7 Ų | 47.7 | 60% | 0.598 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -23.6 | -179.3 | -56 | -58.2 | 147.6 | 0 | 0 | 111.9 | P36 W47 | P36-E49 WeakPolarHBondContact CA-O 3.01Å; W47-E49 PolarHBondContact O-N 2.03Å |
| 50 | N | 97.8 | Very high | 97.8 | Very high | 47 Ų | 47 | 46 Ų | 46 | 25% | 0.251 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -164.6 | 100.4 | -178.4 | -170.3 | 39.9 | 0 | 0 | 0 | 110.5 | N22 P34 G35 W47 R48 | N22-N50 PolarHBondContact OD1-ND2 2.66Å; P34-N50 WeakPolarHBondContact CB-OD1 3.48Å; G35-N50 PolarHBondContact N-OD1 3.04Å; W47-N50 CarbonylContact O-C 3.58Å; W47-N50 PolarHBondContact O-N 2.98Å; R48-N50 VanDerWaalsContact C-N 3.33Å |
| 51 | A | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | -133.6 | 152.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | K31 P34 G35 E37 L40 W47 C96 | K31-A51 WeakPolarHBondContact CE-O 3.33Å; K31-A51 PolarHBondContact NZ-O 3.34Å; P34-A51 WeakPolarHBondContact CA-O 3.37Å; G35-A51 PolarHBondContact N-O 3.39Å; G35-A51 VanDerWaalsContact N-O 3.09Å; G35-A51 PolarHBondContact O-N 3.35Å; E37-A51 HydrophobicContact CB-CB 4.39Å; E37-A51 HydrophobicContact CG-CB 4.24Å; L40-A51 HydrophobicContact CD1-CB 3.76Å; W47-A51 HydrophobicContact CB-CB 3.96Å; W47-A51 WeakPolarHBondContact O-CB 3.26Å; W47-A51 PolarHBondContact O-N 2.89Å; A51-C96 WeakPolarHBondContact CA-O 3.37Å; A51-C96 HydrophobicContact CB-CB 4.25Å |
| 52 | C | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -92.3 | -12 | 171.1 | -71.7 | 0 | 0 | 0 | 0 | 114.7 | C24 K31 E95 C96 | C24-C52 WeakPolarHBondContact CA-SG 3.41Å; C24-C52 HydrophobicContact CB-CB 3.7Å; C24-C52 WeakPolarHBondContact CB-SG 3.06Å; C24-C52 WeakPolarHBondContact SG-CA 3.49Å; C24-C52 WeakPolarHBondContact SG-CB 3.3Å; C24-C52 CovalentContact SG-SG 2.03Å; C24-C52 PolarHBondContact SG-SG 2.9Å; K31-C52 WeakPolarHBondContact CB-O 3.3Å; K31-C52 WeakPolarHBondContact CG-O 3.49Å; K31-C52 PolarHBondContact N-O 3.4Å; C52-E95 CarbonylContact C-O 3.55Å; C52-E95 VanDerWaalsContact C-O 3.3Å; C52-E95 WeakPolarHBondContact CB-O 3.45Å; C52-C96 PolarHBondContact N-O 2.04Å |
| 53 | C | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -95 | 168.8 | 176.7 | 66.5 | 0 | 0 | 0 | 0 | 110.7 | K31 E37 L40 T57 E95 C96 | K31-C53 WeakPolarHBondContact CE-O 3.48Å; E37-C53 WeakPolarHBondContact CG-O 3.47Å; L40-C53 VanDerWaalsContact CD2-SG 3.57Å; C53-T57 HydrophobicContact CB-CG2 3.96Å; C53-E95 HydrophobicContact CB-CB 4.02Å; C53-E95 WeakPolarHBondContact CB-O 3.2Å; C53-E95 PolarHBondContact N-O 3.04Å; C53-E95 VanDerWaalsContact N-O 3.16Å; C53-C96 HydrophobicContact CB-CB 3.91Å; C53-C96 WeakPolarHBondContact CB-SG 3.3Å; C53-C96 WeakPolarHBondContact SG-CB 3.37Å; C53-C96 CovalentContact SG-SG 2.04Å; C53-C96 PolarHBondContact SG-SG 3.15Å |
| 54 | T | 98.4 | Very high | 97.8 | Very high | 47 Ų | 47 | 40.1 Ų | 40.1 | 29% | 0.288 | 21% | 0.209 | S | C | . | . | trans | -100.6 | 166.8 | 169.8 | 69 | 0 | 0 | 0 | 0 | 110.8 | K31 N56 T57 S58 | K31-T54 HydrophobicContact CD-CG2 4.24Å; K31-T54 HydrophobicContact CG-CG2 4.05Å; T54-N56 VanDerWaalsContact C-N 3.27Å; T54-N56 PolarHBondContact O-N 2.93Å; T54-N56 PolarHBondContact OG1-N 3.26Å; T54-T57 WeakPolarHBondContact O-CB 3.39Å; T54-T57 PolarHBondContact O-N 2.94Å; T54-T57 PolarHBondContact OG1-N 3.17Å; T54-T57 VanDerWaalsContact OG1-N 3.14Å; T54-T57 PolarHBondContact OG1-OG1 3.04Å; T54-S58 PolarHBondContact O-N 3.31Å | ||
| 55 | A | 97.4 | Very high | 97.4 | Very high | 32 Ų | 32 | 43 Ų | 43 | 26% | 0.264 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -54 | -42.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A39 S58 E59 | A39-A55 HydrophobicContact CB-CB 3.9Å; A55-S58 PolarHBondContact O-N 2.8Å; A55-S58 PolarHBondContact O-OG 3.47Å; A55-E59 PolarHBondContact O-N 3.14Å |
| 56 | N | 97.9 | Very high | 97.2 | Very high | 86 Ų | 86 | 41.9 Ų | 41.9 | 46% | 0.46 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.1 | -46.9 | 177.7 | -171.5 | 34.9 | 0 | 0 | 0 | 111.7 | T54 S58 E59 E60 Y67 | T54-N56 VanDerWaalsContact C-N 3.27Å; T54-N56 PolarHBondContact O-N 2.93Å; T54-N56 PolarHBondContact OG1-N 3.26Å; N56-S58 PolarHBondContact O-N 2.99Å; N56-E59 PolarHBondContact O-N 3.34Å; N56-E60 WeakPolarHBondContact O-CG 3.45Å; N56-E60 PolarHBondContact O-N 3.01Å; N56-Y67 WeakPolarHBondContact ND2-CE1 3.24Å; N56-Y67 PolarHBondContact ND2-OH 2.78Å |
| 57 | T | 98.4 | Very high | 97 | Very high | 4 Ų | 4 | 43.7 Ų | 43.7 | 3% | 0.025 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55.7 | -41.6 | 174.6 | -52.4 | 0 | 0 | 0 | 0 | 111.2 | H29 C53 T54 E60 A61 L68 E95 | H29-T57 HydrophobicContact CB-CG2 4.21Å; C53-T57 HydrophobicContact CB-CG2 3.96Å; T54-T57 WeakPolarHBondContact O-CB 3.39Å; T54-T57 PolarHBondContact O-N 2.94Å; T54-T57 PolarHBondContact OG1-N 3.17Å; T54-T57 VanDerWaalsContact OG1-N 3.14Å; T54-T57 PolarHBondContact OG1-OG1 3.04Å; T57-E60 PolarHBondContact O-N 3.17Å; T57-A61 PolarHBondContact O-N 2.77Å; T57-L68 HydrophobicContact CG2-CD2 3.84Å; T57-E95 HydrophobicContact CG2-CB 3.97Å; T57-E95 HydrophobicContact CG2-CG 4.06Å |
| 58 | S | 98.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.007 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -71.2 | -34 | -178.6 | 75.8 | 0 | 0 | 0 | 0 | 114.2 | L40 H41 T54 A55 N56 H62 | L40-S58 WeakPolarHBondContact CA-OG 3.46Å; H41-S58 PolarHBondContact N-OG 2.76Å; T54-S58 PolarHBondContact O-N 3.31Å; A55-S58 PolarHBondContact O-N 2.8Å; A55-S58 PolarHBondContact O-OG 3.47Å; N56-S58 PolarHBondContact O-N 2.99Å; S58-H62 PolarHBondContact O-CE1 3.49Å; S58-H62 PolarHBondContact O-ND1 3.01Å |
| 59 | E | 98 | Very high | 96.8 | Very high | 99 Ų | 99 | 40.1 Ų | 40.1 | 46% | 0.463 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66 | -44.3 | 173.4 | -176.2 | 167.6 | -177.2 | 0 | 0 | 110.1 | H41 A55 N56 A61 H62 | H41-E59 HydrophobicContact CB-CB 4.34Å; A55-E59 PolarHBondContact O-N 3.14Å; N56-E59 PolarHBondContact O-N 3.34Å; E59-A61 VanDerWaalsContact C-N 3.3Å; E59-A61 PolarHBondContact O-N 3.27Å; E59-H62 WeakPolarHBondContact O-CB 3.49Å; E59-H62 PolarHBondContact O-N 2.65Å |
| 60 | E | 98.1 | Very high | 96.8 | Very high | 35 Ų | 35 | 40 Ų | 40 | 16% | 0.164 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -73.8 | -20.7 | -176.8 | -70.3 | -78.7 | 127 | 0 | 0 | 113.9 | N56 T57 H62 N63 S66 Y67 L68 | N56-E60 WeakPolarHBondContact O-CG 3.45Å; N56-E60 PolarHBondContact O-N 3.01Å; T57-E60 PolarHBondContact O-N 3.17Å; E60-H62 PolarHBondContact O-N 3.01Å; E60-H62 VanDerWaalsContact O-N 3.13Å; E60-N63 PolarHBondContact O-N 3.24Å; E60-N63 PolarHBondContact OE1-ND2 3.23Å; E60-S66 WeakPolarHBondContact O-CB 3.32Å; E60-S66 PolarHBondContact O-OG 3.28Å; E60-S66 VanDerWaalsContact OE2-CB 3.27Å; E60-S66 WeakPolarHBondContact OE2-CB 3.49Å; E60-Y67 HydrophobicContact CB-CD1 4.31Å; E60-Y67 HydrophobicContact CB-CE1 4.08Å; E60-Y67 HydrophobicContact CG-CD1 3.62Å; E60-Y67 HydrophobicContact CG-CE1 3.36Å; E60-Y67 VanDerWaalsContact OE2-CD1 3.3Å; E60-Y67 WeakPolarHBondContact OE2-CD1 3.45Å; E60-Y67 PolarHBondContact OE2-N 2.79Å; E60-L68 HydrophobicContact CB-CD1 4.25Å; E60-L68 HydrophobicContact CB-CD2 4.26Å; E60-L68 HydrophobicContact CB-CG 3.94Å |
| 61 | A | 98 | Very high | 96.8 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 3% | 0.025 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -21.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T57 E59 L68 I88 T91 | T57-A61 PolarHBondContact O-N 2.77Å; E59-A61 VanDerWaalsContact C-N 3.3Å; E59-A61 PolarHBondContact O-N 3.27Å; A61-L68 HydrophobicContact CB-CD1 4.33Å; A61-I88 WeakPolarHBondContact O-CG1 3.31Å; A61-T91 HydrophobicContact CB-CG2 3.63Å |
| 62 | H | 98.1 | Very high | 96.8 | Very high | 22 Ų | 22 | 39.8 Ų | 39.8 | 10% | 0.102 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | -9.2 | -179.2 | -61.3 | 70.4 | 0 | 0 | 0 | 113.9 | H41 Q43 S58 E59 E60 | H41-H62 AromaticContact CD2-CD2 3.93Å; H41-H62 AromaticContact CD2-CE1 3.74Å; H41-H62 AromaticContact CD2-CG 3.72Å; H41-H62 AromaticContact CD2-ND1 3.58Å; H41-H62 AromaticContact CD2-NE2 3.95Å; H41-H62 PolarHBondContact O-CE1 3.35Å; H41-H62 VanDerWaalsContact O-CE1 3.28Å; Q43-H62 PolarHBondContact N-NE2 2.91Å; S58-H62 PolarHBondContact O-CE1 3.49Å; S58-H62 PolarHBondContact O-ND1 3.01Å; E59-H62 WeakPolarHBondContact O-CB 3.49Å; E59-H62 PolarHBondContact O-N 2.65Å; E60-H62 PolarHBondContact O-N 3.01Å; E60-H62 VanDerWaalsContact O-N 3.13Å |
| 63 | N | 96.1 | Very high | 96.7 | Very high | 67 Ų | 67 | 40.8 Ų | 40.8 | 36% | 0.358 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -93.1 | 143.8 | -176.2 | -70.9 | -23.1 | 0 | 0 | 0 | 111.6 | E60 | E60-N63 PolarHBondContact O-N 3.24Å; E60-N63 PolarHBondContact OE1-ND2 3.23Å |
| 64 | D | 92.6 | Very high | 96.7 | Very high | 67 Ų | 67 | 43 Ų | 43 | 36% | 0.358 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | 139.7 | 170.7 | -75.8 | -42.5 | 0 | 0 | 0 | 110.2 | S66 W73 K84 | D64-S66 PolarHBondContact O-N 3.24Å; D64-S66 VanDerWaalsContact O-N 3.16Å; D64-W73 VanDerWaalsContact OD1-CD1 3.31Å; D64-K84 VanDerWaalsContact OD1-CE 3.23Å; D64-K84 WeakPolarHBondContact OD1-CE 3.44Å; D64-K84 IonicContact OD1-NZ 2.85Å; D64-K84 PolarHBondContact OD1-NZ 2.53Å; D64-K84 IonicContact OD2-NZ 3.26Å; D64-K84 PolarHBondContact OD2-NZ 2.89Å |
| 65 | N | 92.1 | Very high | 96.7 | Very high | 59 Ų | 59 | 41.8 Ų | 41.8 | 32% | 0.316 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 34 | -178.9 | -55.3 | -41.6 | 0 | 0 | 0 | 112.9 | F71 N72 T153 | N65-F71 VanDerWaalsContact CA-O 3.31Å; N65-F71 WeakPolarHBondContact CA-O 3.49Å; N65-F71 PolarHBondContact N-O 3.04Å; N65-F71 VanDerWaalsContact OD1-C 3.29Å; N65-F71 PolarHBondContact OD1-O 2.86Å; N65-N72 WeakPolarHBondContact OD1-CA 3.02Å; N65-N72 WeakPolarHBondContact OD1-CB 3.25Å; N65-N72 PolarHBondContact OD1-N 3.04Å; N65-N72 VanDerWaalsContact OD1-N 3.12Å; N65-T153 HydrophobicContact CB-CG2 3.99Å |
| 66 | S | 93.9 | Very high | 96.8 | Very high | 14 Ų | 14 | 41.4 Ų | 41.4 | 10% | 0.098 | 20% | 0.199 | C | C | . | . | trans | -61.4 | 160.6 | -175.5 | 72.6 | 0 | 0 | 0 | 0 | 112.1 | E60 D64 L68 Y69 Y70 | E60-S66 WeakPolarHBondContact O-CB 3.32Å; E60-S66 PolarHBondContact O-OG 3.28Å; E60-S66 VanDerWaalsContact OE2-CB 3.27Å; E60-S66 WeakPolarHBondContact OE2-CB 3.49Å; D64-S66 PolarHBondContact O-N 3.24Å; D64-S66 VanDerWaalsContact O-N 3.16Å; S66-L68 PolarHBondContact O-N 3.33Å; S66-Y69 PolarHBondContact O-N 3.32Å; S66-Y70 VanDerWaalsContact O-CA 3.24Å; S66-Y70 WeakPolarHBondContact O-CA 3.05Å; S66-Y70 PolarHBondContact O-N 3.37Å | ||
| 67 | Y | 93.6 | Very high | 96.7 | Very high | 72 Ų | 72 | 39.5 Ų | 39.5 | 28% | 0.282 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -16.3 | -177.1 | 78.7 | -110.2 | 0 | 0 | 0 | 112.8 | H29 N56 E60 Y69 | H29-Y67 AromaticContact CE1-CD2 3.98Å; H29-Y67 AromaticContact CE1-CE2 3.79Å; H29-Y67 AromaticContact ND1-CE2 3.86Å; N56-Y67 WeakPolarHBondContact ND2-CE1 3.24Å; N56-Y67 PolarHBondContact ND2-OH 2.78Å; E60-Y67 HydrophobicContact CB-CD1 4.31Å; E60-Y67 HydrophobicContact CB-CE1 4.08Å; E60-Y67 HydrophobicContact CG-CD1 3.62Å; E60-Y67 HydrophobicContact CG-CE1 3.36Å; E60-Y67 VanDerWaalsContact OE2-CD1 3.3Å; E60-Y67 WeakPolarHBondContact OE2-CD1 3.45Å; E60-Y67 PolarHBondContact OE2-N 2.79Å; Y67-Y69 VanDerWaalsContact C-N 3.31Å; Y67-Y69 PolarHBondContact O-N 2.89Å |
| 68 | L | 95 | Very high | 96.7 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -54.8 | 179.7 | -61.1 | -176.9 | 0 | 0 | 0 | 109.9 | K28 H29 T57 E60 A61 S66 T91 | K28-L68 WeakPolarHBondContact CE-O 3.49Å; K28-L68 PolarHBondContact NZ-O 2.96Å; H29-L68 HydrophobicContact CB-CD2 4.46Å; H29-L68 VanDerWaalsContact NE2-CA 3.3Å; H29-L68 WeakPolarHBondContact NE2-CA 3.3Å; H29-L68 PolarHBondContact NE2-O 2.98Å; T57-L68 HydrophobicContact CG2-CD2 3.84Å; E60-L68 HydrophobicContact CB-CD1 4.25Å; E60-L68 HydrophobicContact CB-CD2 4.26Å; E60-L68 HydrophobicContact CB-CG 3.94Å; A61-L68 HydrophobicContact CB-CD1 4.33Å; S66-L68 PolarHBondContact O-N 3.33Å; L68-T91 HydrophobicContact CD1-CG2 3.94Å |
| 69 | Y | 96.1 | Very high | 96.7 | Very high | 58 Ų | 58 | 44.6 Ų | 44.6 | 23% | 0.227 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -142.2 | 2.1 | -175.2 | -57.1 | -71 | 0 | 0 | 0 | 114 | K28 H29 S66 Y67 F71 E95 W111 W149 | K28-Y69 HydrophobicContact CB-CE1 4.32Å; K28-Y69 HydrophobicContact CD-CD1 4.23Å; K28-Y69 HydrophobicContact CD-CE1 3.85Å; H29-Y69 AromaticContact CD2-CZ 3.92Å; S66-Y69 PolarHBondContact O-N 3.32Å; Y67-Y69 VanDerWaalsContact C-N 3.31Å; Y67-Y69 PolarHBondContact O-N 2.89Å; Y69-F71 PolarHBondContact O-N 3.29Å; Y69-F71 VanDerWaalsContact O-N 3.15Å; Y69-E95 VanDerWaalsContact CE2-OE1 3.27Å; Y69-E95 WeakPolarHBondContact CE2-OE1 3.47Å; Y69-E95 VanDerWaalsContact CZ-OE1 3.29Å; Y69-E95 PolarHBondContact OH-OE1 3.28Å; Y69-W111 HydrophobicContact CE1-CE3 4.03Å; Y69-W111 HydrophobicContact CE1-CH2 4.36Å; Y69-W111 AromaticContact CE1-CZ3 3.66Å; Y69-W111 HydrophobicContact CE1-CZ3 3.66Å; Y69-W149 WeakPolarHBondContact O-CH2 3.4Å |
| 70 | Y | 96.7 | Very high | 96.7 | Very high | 124 Ų | 124 | 41.8 Ų | 41.8 | 49% | 0.486 | 23% | 0.231 | S | C | . | . | trans | 50.6 | 32.8 | -171 | -60.2 | -80.6 | 0 | 0 | 0 | 112.3 | S66 G152 T153 | S66-Y70 VanDerWaalsContact O-CA 3.24Å; S66-Y70 WeakPolarHBondContact O-CA 3.05Å; S66-Y70 PolarHBondContact O-N 3.37Å; Y70-G152 WeakPolarHBondContact CB-O 3.21Å; Y70-T153 WeakPolarHBondContact O-CA 3.43Å | ||
| 71 | F | 97.9 | Very high | 96.8 | Very high | 16 Ų | 16 | 44.9 Ų | 44.9 | 7% | 0.07 | 26% | 0.256 | C | S | . | . | trans | -84.9 | 127.7 | -171.3 | -161.2 | -82.9 | 0 | 0 | 0 | 111.5 | N65 Y69 W73 W143 W147 W149 N154 W180 | N65-F71 VanDerWaalsContact CA-O 3.31Å; N65-F71 WeakPolarHBondContact CA-O 3.49Å; N65-F71 PolarHBondContact N-O 3.04Å; N65-F71 VanDerWaalsContact OD1-C 3.29Å; N65-F71 PolarHBondContact OD1-O 2.86Å; Y69-F71 PolarHBondContact O-N 3.29Å; Y69-F71 VanDerWaalsContact O-N 3.15Å; F71-W73 AromaticContact CD1-CD2 3.86Å; F71-W73 HydrophobicContact CD1-CD2 3.86Å; F71-W73 AromaticContact CD1-CE3 3.51Å; F71-W73 HydrophobicContact CD1-CE3 3.51Å; F71-W73 AromaticContact CD1-CH2 3.92Å; F71-W73 HydrophobicContact CD1-CH2 3.92Å; F71-W73 HydrophobicContact CD1-CZ2 4.25Å; F71-W73 AromaticContact CD1-CZ3 3.52Å; F71-W73 HydrophobicContact CD1-CZ3 3.52Å; F71-W73 HydrophobicContact CE1-CD2 4.3Å; F71-W73 AromaticContact CE1-CE3 3.54Å; F71-W73 HydrophobicContact CE1-CE3 3.54Å; F71-W73 HydrophobicContact CE1-CH2 4.33Å; F71-W73 AromaticContact CE1-CZ3 3.53Å; F71-W73 HydrophobicContact CE1-CZ3 3.53Å; F71-W73 HydrophobicContact CG-CZ3 4.46Å; F71-W73 HydrophobicContact CZ-CZ3 4.46Å; F71-W143 AromaticContact CE1-CE3 3.65Å; F71-W143 HydrophobicContact CE1-CE3 3.65Å; F71-W143 AromaticContact CE1-CZ3 3.88Å; F71-W143 HydrophobicContact CE1-CZ3 3.88Å; F71-W143 HydrophobicContact CZ-CB 4.23Å; F71-W143 HydrophobicContact CZ-CD2 4.02Å; F71-W143 AromaticContact CZ-CE3 3.45Å; F71-W143 HydrophobicContact CZ-CE3 3.45Å; F71-W143 VanDerWaalsContact CZ-CE3 3.45Å; F71-W143 HydrophobicContact CZ-CG 4.38Å; F71-W143 HydrophobicContact CZ-CZ3 4.15Å; F71-W147 HydrophobicContact CE2-CZ2 4.19Å; F71-W147 AromaticContact CE2-NE1 3.75Å; F71-W147 HydrophobicContact CZ-CH2 4.48Å; F71-W147 AromaticContact CZ-CZ2 3.73Å; F71-W147 HydrophobicContact CZ-CZ2 3.73Å; F71-W149 HydrophobicContact CD2-CH2 4.34Å; F71-N154 VanDerWaalsContact CA-OD1 3.3Å; F71-N154 WeakPolarHBondContact CA-OD1 3.27Å; F71-N154 WeakPolarHBondContact CZ-ND2 3.48Å; F71-W180 HydrophobicContact CE2-CH2 4.28Å; F71-W180 HydrophobicContact CE2-CZ3 4.49Å; F71-W180 HydrophobicContact CZ-CH2 4.24Å | ||
| 72 | N | 98.1 | Very high | 96.8 | Very high | 27 Ų | 27 | 50.8 Ų | 50.8 | 14% | 0.144 | 28% | 0.281 | C | S | . | . | trans | -92.7 | 101.3 | 177.1 | -174.4 | 16.6 | 0 | 0 | 0 | 110.5 | N65 N74 H75 N154 | N65-N72 WeakPolarHBondContact OD1-CA 3.02Å; N65-N72 WeakPolarHBondContact OD1-CB 3.25Å; N65-N72 PolarHBondContact OD1-N 3.04Å; N65-N72 VanDerWaalsContact OD1-N 3.12Å; N72-N74 PolarHBondContact O-N 3.22Å; N72-N74 WeakPolarHBondContact OD1-CA 2.88Å; N72-N74 WeakPolarHBondContact OD1-CB 3.45Å; N72-N74 PolarHBondContact OD1-N 3.26Å; N72-H75 PolarHBondContact O-ND1 3.29Å; N72-N154 WeakPolarHBondContact CB-OD1 3.44Å; N72-N154 PolarHBondContact N-OD1 3.09Å; N72-N154 PolarHBondContact O-ND2 3.01Å | ||
| 73 | W | 98.3 | Very high | 96.8 | Very high | 21 Ų | 21 | 49.7 Ų | 49.7 | 8% | 0.08 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -25.7 | 170.3 | -54.6 | 117.9 | 0 | 0 | 0 | 112 | D64 F71 H75 M79 F87 W143 W180 | D64-W73 VanDerWaalsContact OD1-CD1 3.31Å; F71-W73 AromaticContact CD1-CD2 3.86Å; F71-W73 HydrophobicContact CD1-CD2 3.86Å; F71-W73 AromaticContact CD1-CE3 3.51Å; F71-W73 HydrophobicContact CD1-CE3 3.51Å; F71-W73 AromaticContact CD1-CH2 3.92Å; F71-W73 HydrophobicContact CD1-CH2 3.92Å; F71-W73 HydrophobicContact CD1-CZ2 4.25Å; F71-W73 AromaticContact CD1-CZ3 3.52Å; F71-W73 HydrophobicContact CD1-CZ3 3.52Å; F71-W73 HydrophobicContact CE1-CD2 4.3Å; F71-W73 AromaticContact CE1-CE3 3.54Å; F71-W73 HydrophobicContact CE1-CE3 3.54Å; F71-W73 HydrophobicContact CE1-CH2 4.33Å; F71-W73 AromaticContact CE1-CZ3 3.53Å; F71-W73 HydrophobicContact CE1-CZ3 3.53Å; F71-W73 HydrophobicContact CG-CZ3 4.46Å; F71-W73 HydrophobicContact CZ-CZ3 4.46Å; W73-H75 PolarHBondContact O-N 3.21Å; W73-M79 HydrophobicContact CB-CE 4.16Å; W73-M79 HydrophobicContact CB-SD 4.01Å; W73-M79 WeakPolarHBondContact O-CE 3.32Å; W73-F87 HydrophobicContact CD2-CB 4.41Å; W73-F87 HydrophobicContact CE3-CB 4.13Å; W73-F87 AromaticContact CE3-CD1 3.82Å; W73-F87 HydrophobicContact CE3-CD1 3.82Å; W73-F87 HydrophobicContact CE3-CD2 4.44Å; W73-F87 HydrophobicContact CE3-CE1 4.35Å; W73-F87 AromaticContact CE3-CG 3.87Å; W73-F87 HydrophobicContact CE3-CG 3.87Å; W73-F87 HydrophobicContact CH2-CB 4.09Å; W73-F87 AromaticContact CH2-CD1 3.79Å; W73-F87 HydrophobicContact CH2-CD1 3.79Å; W73-F87 HydrophobicContact CH2-CG 4.25Å; W73-F87 HydrophobicContact CZ2-CB 4.34Å; W73-F87 HydrophobicContact CZ3-CB 3.99Å; W73-F87 AromaticContact CZ3-CD1 3.22Å; W73-F87 HydrophobicContact CZ3-CD1 3.22Å; W73-F87 AromaticContact CZ3-CE1 3.8Å; W73-F87 HydrophobicContact CZ3-CE1 3.8Å; W73-F87 AromaticContact CZ3-CG 3.71Å; W73-F87 HydrophobicContact CZ3-CG 3.71Å; W73-W143 AromaticContact CE3-CZ3 3.92Å; W73-W143 HydrophobicContact CE3-CZ3 3.92Å; W73-W143 HydrophobicContact CZ3-CE3 4.27Å; W73-W143 AromaticContact CZ3-CZ3 3.94Å; W73-W143 HydrophobicContact CZ3-CZ3 3.94Å; W73-W180 HydrophobicContact CH2-CH2 4.35Å; W73-W180 HydrophobicContact CH2-CZ2 4.17Å; W73-W180 HydrophobicContact CZ3-CH2 4.25Å; W73-W180 HydrophobicContact CZ3-CZ2 4.1Å |
| 74 | N | 98.3 | Very high | 96.9 | Very high | 47 Ų | 47 | 48.2 Ų | 48.2 | 25% | 0.251 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 29.8 | -174.1 | -52.9 | -60.6 | 0 | 0 | 0 | 113.7 | N72 C76 G77 A78 M79 | N72-N74 PolarHBondContact O-N 3.22Å; N72-N74 WeakPolarHBondContact OD1-CA 2.88Å; N72-N74 WeakPolarHBondContact OD1-CB 3.45Å; N72-N74 PolarHBondContact OD1-N 3.26Å; N74-C76 PolarHBondContact O-N 3.32Å; N74-C76 VanDerWaalsContact O-N 3.14Å; N74-G77 CarbonylContact C-O 3.26Å; N74-G77 VanDerWaalsContact C-O 3.26Å; N74-G77 WeakPolarHBondContact CA-O 3.47Å; N74-G77 VanDerWaalsContact CB-O 3.28Å; N74-G77 WeakPolarHBondContact CB-O 3.4Å; N74-G77 PolarHBondContact O-N 3.42Å; N74-A78 WeakPolarHBondContact OD1-CA 3.09Å; N74-M79 PolarHBondContact OD1-N 2.03Å |
| 75 | H | 98.3 | Very high | 97.2 | Very high | 21 Ų | 21 | 49.3 Ų | 49.3 | 10% | 0.097 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -13.6 | -174 | 54.8 | -91.9 | 0 | 0 | 0 | 114.4 | N72 W73 T138 W143 W147 | N72-H75 PolarHBondContact O-ND1 3.29Å; W73-H75 PolarHBondContact O-N 3.21Å; H75-T138 PolarHBondContact NE2-OG1 3.45Å; H75-W143 AromaticContact CE1-CE2 3.93Å; H75-W143 AromaticContact CE1-CH2 3.39Å; H75-W143 WeakPolarHBondContact CE1-CH2 3.37Å; H75-W143 AromaticContact CE1-CZ2 3.37Å; H75-W143 WeakPolarHBondContact CE1-CZ2 3.36Å; H75-W143 AromaticContact CE1-CZ3 3.95Å; H75-W143 AromaticContact NE2-CZ2 3.59Å; H75-W147 HydrophobicContact CB-CZ3 4.16Å; H75-W147 AromaticContact CD2-CH2 3.7Å; H75-W147 AromaticContact CD2-CZ3 3.84Å; H75-W147 AromaticContact CE1-CH2 3.79Å; H75-W147 AromaticContact CG-CH2 3.78Å; H75-W147 AromaticContact CG-CZ3 3.8Å; H75-W147 AromaticContact ND1-CH2 3.83Å; H75-W147 AromaticContact NE2-CH2 3.7Å |
| 76 | C | 98.4 | Very high | 97.6 | Very high | 24 Ų | 24 | 47.2 Ų | 47.2 | 16% | 0.162 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | 27.5 | 175.2 | -83.4 | 0 | 0 | 0 | 0 | 113.5 | N74 F137 T138 C156 C162 | N74-C76 PolarHBondContact O-N 3.32Å; N74-C76 VanDerWaalsContact O-N 3.14Å; C76-F137 HydrophobicContact CB-CB 3.8Å; C76-T138 VanDerWaalsContact SG-C 3.52Å; C76-C156 VanDerWaalsContact SG-SG 3.61Å; C76-C162 WeakPolarHBondContact CA-SG 3.4Å; C76-C162 HydrophobicContact CB-CB 3.68Å; C76-C162 WeakPolarHBondContact CB-SG 3.19Å; C76-C162 VanDerWaalsContact SG-CA 3.53Å; C76-C162 WeakPolarHBondContact SG-CB 3.49Å; C76-C162 CovalentContact SG-SG 2.04Å; C76-C162 PolarHBondContact SG-SG 2.9Å |
| 77 | G | 96.9 | Very high | 97.8 | Very high | 46 Ų | 46 | 46.6 Ų | 46.6 | 47% | 0.474 | 25% | 0.253 | S | S | . | . | S | Bend | trans | 109.6 | 177.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | N74 M79 | N74-G77 CarbonylContact C-O 3.26Å; N74-G77 VanDerWaalsContact C-O 3.26Å; N74-G77 WeakPolarHBondContact CA-O 3.47Å; N74-G77 VanDerWaalsContact CB-O 3.28Å; N74-G77 WeakPolarHBondContact CB-O 3.4Å; N74-G77 PolarHBondContact O-N 3.42Å; G77-M79 PolarHBondContact O-N 3.08Å |
| 78 | A | 97.9 | Very high | 98.1 | Very high | 92 Ų | 92 | 43.8 Ų | 43.8 | 76% | 0.76 | 24% | 0.243 | S | C | * | . | P | Polyproline II helix | trans | -64.8 | 118.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | N74 | N74-A78 WeakPolarHBondContact OD1-CA 3.09Š|
| 79 | M | 98.5 | Very high | 98.2 | Very high | 21 Ų | 21 | 44.4 Ų | 44.4 | 10% | 0.103 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -69 | 137.5 | 173.3 | -179.9 | -179.7 | -79.6 | 0 | 0 | 109.6 | W73 N74 G77 C83 K84 F87 W143 | W73-M79 HydrophobicContact CB-CE 4.16Å; W73-M79 HydrophobicContact CB-SD 4.01Å; W73-M79 WeakPolarHBondContact O-CE 3.32Å; N74-M79 PolarHBondContact OD1-N 2.03Å; G77-M79 PolarHBondContact O-N 3.08Å; M79-C83 HydrophobicContact CG-CB 3.92Å; M79-C83 HydrophobicContact SD-CB 4.32Å; M79-K84 HydrophobicContact CG-CB 4.15Å; M79-K84 HydrophobicContact SD-CB 3.79Å; M79-K84 HydrophobicContact SD-CG 4.36Å; M79-F87 HydrophobicContact CE-CD2 3.89Å; M79-F87 HydrophobicContact CE-CE2 3.68Å; M79-F87 HydrophobicContact CE-CZ 4.46Å; M79-F87 HydrophobicContact SD-CD2 3.73Å; M79-F87 HydrophobicContact SD-CE2 4.07Å; M79-W143 HydrophobicContact CE-CH2 3.91Å; M79-W143 HydrophobicContact CE-CZ3 4.39Å |
| 80 | S | 98.7 | Very high | 98.4 | Very high | 39 Ų | 39 | 42.1 Ų | 42.1 | 27% | 0.273 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -59.1 | 148.2 | 176.5 | 75.1 | 0 | 0 | 0 | 0 | 111.6 | K82 C83 K84 D136 | S80-K82 PolarHBondContact O-N 3Å; S80-C83 PolarHBondContact O-N 2.79Å; S80-C83 VanDerWaalsContact OG-CB 3.25Å; S80-C83 WeakPolarHBondContact OG-CB 3.49Å; S80-C83 PolarHBondContact OG-N 3.21Å; S80-K84 WeakPolarHBondContact O-CB 3.3Å; S80-K84 PolarHBondContact O-N 3.16Å; S80-D136 WeakPolarHBondContact CB-OD1 3.38Å; S80-D136 VanDerWaalsContact CB-OD2 3.32Å; S80-D136 WeakPolarHBondContact CB-OD2 2.96Å; S80-D136 PolarHBondContact N-OD1 2.67Å; S80-D136 PolarHBondContact N-OD2 2.9Å; S80-D136 PolarHBondContact OG-OD2 3.14Å |
| 81 | S | 98.4 | Very high | 98.5 | Very high | 101 Ų | 101 | 36.9 Ų | 36.9 | 71% | 0.706 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -62.2 | -31.9 | -179.6 | 60.9 | 0 | 0 | 0 | 0 | 112.7 | Q85 | S81-Q85 WeakPolarHBondContact O-CB 3.05Å; S81-Q85 PolarHBondContact O-N 3.05Å |
| 82 | K | 98.7 | Very high | 98.5 | Very high | 126 Ų | 126 | 36.2 Ų | 36.2 | 55% | 0.548 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -70.5 | -46.5 | 177.9 | -67 | -174.7 | 174.4 | -174.2 | 0 | 111.5 | S80 Q85 H86 D132 | S80-K82 PolarHBondContact O-N 3Å; K82-Q85 VanDerWaalsContact O-CB 3.3Å; K82-Q85 WeakPolarHBondContact O-CB 3.05Å; K82-Q85 PolarHBondContact O-N 2.75Å; K82-H86 PolarHBondContact O-CD2 2.87Å; K82-D132 HydrophobicContact CB-CB 3.92Å |
| 83 | C | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62 | -46.8 | 174.9 | -177.3 | 0 | 0 | 0 | 0 | 111.6 | M79 S80 Q85 H86 F87 C133 D136 | M79-C83 HydrophobicContact CG-CB 3.92Å; M79-C83 HydrophobicContact SD-CB 4.32Å; S80-C83 PolarHBondContact O-N 2.79Å; S80-C83 VanDerWaalsContact OG-CB 3.25Å; S80-C83 WeakPolarHBondContact OG-CB 3.49Å; S80-C83 PolarHBondContact OG-N 3.21Å; C83-Q85 PolarHBondContact O-N 2.04Å; C83-H86 WeakPolarHBondContact O-CB 3.27Å; C83-H86 PolarHBondContact O-N 3.21Å; C83-H86 VanDerWaalsContact O-N 3.08Å; C83-F87 WeakPolarHBondContact O-CD2 3.43Å; C83-F87 PolarHBondContact O-N 2.78Å; C83-C133 WeakPolarHBondContact CA-SG 3.06Å; C83-C133 HydrophobicContact CB-CB 3.87Å; C83-C133 WeakPolarHBondContact CB-SG 3.18Å; C83-C133 WeakPolarHBondContact SG-CB 3.38Å; C83-C133 CovalentContact SG-SG 2.03Å; C83-C133 PolarHBondContact SG-SG 3.18Å; C83-D136 WeakPolarHBondContact CB-OD2 3.46Å; C83-D136 PolarHBondContact SG-OD2 3.04Å |
| 84 | K | 98.7 | Very high | 98.6 | Very high | 36 Ų | 36 | 35 Ų | 35 | 16% | 0.157 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.3 | -34 | 178.1 | -172 | 174.4 | 173.6 | -176.5 | 0 | 112.4 | D64 M79 S80 H86 F87 I88 | D64-K84 VanDerWaalsContact OD1-CE 3.23Å; D64-K84 WeakPolarHBondContact OD1-CE 3.44Å; D64-K84 IonicContact OD1-NZ 2.85Å; D64-K84 PolarHBondContact OD1-NZ 2.53Å; D64-K84 IonicContact OD2-NZ 3.26Å; D64-K84 PolarHBondContact OD2-NZ 2.89Å; M79-K84 HydrophobicContact CG-CB 4.15Å; M79-K84 HydrophobicContact SD-CB 3.79Å; M79-K84 HydrophobicContact SD-CG 4.36Å; S80-K84 WeakPolarHBondContact O-CB 3.3Å; S80-K84 PolarHBondContact O-N 3.16Å; K84-H86 VanDerWaalsContact C-N 3.26Å; K84-H86 PolarHBondContact O-N 3.19Å; K84-F87 PolarHBondContact O-N 3.48Å; K84-I88 HydrophobicContact CG-CD1 4.26Å; K84-I88 WeakPolarHBondContact O-CG1 3.45Å; K84-I88 PolarHBondContact O-N 2.89Å |
| 85 | Q | 98.8 | Very high | 98.6 | Very high | 89 Ų | 89 | 32.8 Ų | 32.8 | 42% | 0.416 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -54.9 | -43.2 | 175.4 | -171.7 | -179.3 | -14.4 | 0 | 0 | 111.8 | Q43 S81 K82 C83 I88 Q89 | Q43-Q85 PolarHBondContact OE1-O 3.19Å; S81-Q85 WeakPolarHBondContact O-CB 3.05Å; S81-Q85 PolarHBondContact O-N 3.05Å; K82-Q85 VanDerWaalsContact O-CB 3.3Å; K82-Q85 WeakPolarHBondContact O-CB 3.05Å; K82-Q85 PolarHBondContact O-N 2.75Å; C83-Q85 PolarHBondContact O-N 2.04Å; Q85-I88 WeakPolarHBondContact O-CB 3.21Å; Q85-I88 PolarHBondContact O-N 3.38Å; Q85-Q89 WeakPolarHBondContact O-CG 3.49Å; Q85-Q89 PolarHBondContact O-N 2.76Å |
| 86 | H | 98.9 | Very high | 98.6 | Very high | 16 Ų | 16 | 31.9 Ų | 31.9 | 7% | 0.074 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.3 | -39.5 | 178.5 | -68.7 | -75 | 0 | 0 | 0 | 112.7 | K82 C83 K84 I88 Q89 D90 W129 D132 | K82-H86 PolarHBondContact O-CD2 2.87Å; C83-H86 WeakPolarHBondContact O-CB 3.27Å; C83-H86 PolarHBondContact O-N 3.21Å; C83-H86 VanDerWaalsContact O-N 3.08Å; K84-H86 VanDerWaalsContact C-N 3.26Å; K84-H86 PolarHBondContact O-N 3.19Å; H86-I88 VanDerWaalsContact C-N 3.27Å; H86-I88 PolarHBondContact O-N 3.4Å; H86-Q89 PolarHBondContact O-N 2.8Å; H86-Q89 VanDerWaalsContact O-N 3.13Å; H86-D90 WeakPolarHBondContact O-CB 3.37Å; H86-D90 PolarHBondContact O-N 3.5Å; H86-W129 HydrophobicContact CB-CB 4Å; H86-W129 HydrophobicContact CB-CD2 4Å; H86-W129 HydrophobicContact CB-CG 3.5Å; H86-W129 AromaticContact CG-CD1 3.76Å; H86-W129 AromaticContact CG-CG 3.83Å; H86-D132 IonicContact CD2-OD2 3.46Å; H86-D132 IonicContact CE1-OD2 3.93Å; H86-D132 IonicContact NE2-OD2 2.78Å; H86-D132 PolarHBondContact NE2-OD2 3.33Å |
| 87 | F | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.9 | -33.8 | 173.8 | -78.6 | -76.4 | 0 | 0 | 0 | 113 | W73 M79 C83 K84 T91 W129 W143 W165 I179 W180 | W73-F87 HydrophobicContact CD2-CB 4.41Å; W73-F87 HydrophobicContact CE3-CB 4.13Å; W73-F87 AromaticContact CE3-CD1 3.82Å; W73-F87 HydrophobicContact CE3-CD1 3.82Å; W73-F87 HydrophobicContact CE3-CD2 4.44Å; W73-F87 HydrophobicContact CE3-CE1 4.35Å; W73-F87 AromaticContact CE3-CG 3.87Å; W73-F87 HydrophobicContact CE3-CG 3.87Å; W73-F87 HydrophobicContact CH2-CB 4.09Å; W73-F87 AromaticContact CH2-CD1 3.79Å; W73-F87 HydrophobicContact CH2-CD1 3.79Å; W73-F87 HydrophobicContact CH2-CG 4.25Å; W73-F87 HydrophobicContact CZ2-CB 4.34Å; W73-F87 HydrophobicContact CZ3-CB 3.99Å; W73-F87 AromaticContact CZ3-CD1 3.22Å; W73-F87 HydrophobicContact CZ3-CD1 3.22Å; W73-F87 AromaticContact CZ3-CE1 3.8Å; W73-F87 HydrophobicContact CZ3-CE1 3.8Å; W73-F87 AromaticContact CZ3-CG 3.71Å; W73-F87 HydrophobicContact CZ3-CG 3.71Å; M79-F87 HydrophobicContact CE-CD2 3.89Å; M79-F87 HydrophobicContact CE-CE2 3.68Å; M79-F87 HydrophobicContact CE-CZ 4.46Å; M79-F87 HydrophobicContact SD-CD2 3.73Å; M79-F87 HydrophobicContact SD-CE2 4.07Å; C83-F87 WeakPolarHBondContact O-CD2 3.43Å; C83-F87 PolarHBondContact O-N 2.78Å; K84-F87 PolarHBondContact O-N 3.48Å; F87-T91 WeakPolarHBondContact O-CB 3.39Å; F87-T91 PolarHBondContact O-N 3.36Å; F87-T91 PolarHBondContact O-OG1 3.28Å; F87-W129 AromaticContact CD1-CZ2 3.75Å; F87-W129 HydrophobicContact CD1-CZ2 3.75Å; F87-W129 HydrophobicContact CD2-CZ2 4.48Å; F87-W129 AromaticContact CD2-NE1 3.92Å; F87-W129 HydrophobicContact CE1-CH2 4.45Å; F87-W129 AromaticContact CE1-CZ2 3.49Å; F87-W129 HydrophobicContact CE1-CZ2 3.49Å; F87-W129 VanDerWaalsContact CE1-CZ2 3.49Å; F87-W129 HydrophobicContact CE2-CZ2 4.23Å; F87-W129 AromaticContact CE2-NE1 3.55Å; F87-W129 HydrophobicContact CG-CZ2 4.24Å; F87-W129 AromaticContact CZ-CZ2 3.71Å; F87-W129 HydrophobicContact CZ-CZ2 3.71Å; F87-W129 AromaticContact CZ-NE1 3.79Å; F87-W143 HydrophobicContact CD1-CZ3 4.27Å; F87-W143 AromaticContact CE1-CE3 3.91Å; F87-W143 HydrophobicContact CE1-CE3 3.91Å; F87-W143 HydrophobicContact CE1-CH2 4.14Å; F87-W143 AromaticContact CE1-CZ3 3.43Å; F87-W143 HydrophobicContact CE1-CZ3 3.43Å; F87-W143 VanDerWaalsContact CE1-CZ3 3.43Å; F87-W143 HydrophobicContact CE2-CH2 4.2Å; F87-W143 HydrophobicContact CE2-CZ3 4.19Å; F87-W143 HydrophobicContact CZ-CE3 4.21Å; F87-W143 AromaticContact CZ-CH2 3.64Å; F87-W143 HydrophobicContact CZ-CH2 3.64Å; F87-W143 AromaticContact CZ-CZ3 3.42Å; F87-W143 HydrophobicContact CZ-CZ3 3.42Å; F87-W143 VanDerWaalsContact CZ-CZ3 3.42Å; F87-W165 AromaticContact CE2-CH2 3.92Å; F87-W165 HydrophobicContact CE2-CH2 3.92Å; F87-W165 HydrophobicContact CE2-CZ2 4.43Å; F87-W165 AromaticContact CZ-CH2 3.7Å; F87-W165 HydrophobicContact CZ-CH2 3.7Å; F87-W165 HydrophobicContact CZ-CZ2 4.19Å; F87-I179 HydrophobicContact CE1-CD1 3.74Å; F87-I179 HydrophobicContact CZ-CD1 3.55Å; F87-W180 HydrophobicContact CD1-CZ2 4.13Å; F87-W180 HydrophobicContact CE1-CZ2 4.01Å |
| 88 | I | 98.9 | Very high | 98.7 | Very high | 14 Ų | 14 | 28.6 Ų | 28.6 | 7% | 0.072 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.9 | -43.4 | 173 | -62.1 | 166.6 | 0 | 0 | 0 | 110.2 | Q43 A61 K84 Q85 H86 T91 C92 | Q43-I88 HydrophobicContact CB-CG2 4.02Å; Q43-I88 HydrophobicContact CG-CG2 4.31Å; A61-I88 WeakPolarHBondContact O-CG1 3.31Å; K84-I88 HydrophobicContact CG-CD1 4.26Å; K84-I88 WeakPolarHBondContact O-CG1 3.45Å; K84-I88 PolarHBondContact O-N 2.89Å; Q85-I88 WeakPolarHBondContact O-CB 3.21Å; Q85-I88 PolarHBondContact O-N 3.38Å; H86-I88 VanDerWaalsContact C-N 3.27Å; H86-I88 PolarHBondContact O-N 3.4Å; I88-T91 PolarHBondContact O-N 2.81Å; I88-C92 PolarHBondContact O-N 3.28Å; I88-C92 PolarHBondContact O-SG 2.85Å |
| 89 | Q | 98.8 | Very high | 98.7 | Very high | 15 Ų | 15 | 24.8 Ų | 24.8 | 7% | 0.07 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.6 | -41.9 | 177.5 | -69.2 | 176.8 | 6.3 | 0 | 0 | 112.3 | Q43 Q85 H86 T91 C92 F93 W200 | Q43-Q89 VanDerWaalsContact OE1-CG 3.23Å; Q85-Q89 WeakPolarHBondContact O-CG 3.49Å; Q85-Q89 PolarHBondContact O-N 2.76Å; H86-Q89 PolarHBondContact O-N 2.8Å; H86-Q89 VanDerWaalsContact O-N 3.13Å; Q89-T91 VanDerWaalsContact C-N 3.35Å; Q89-C92 PolarHBondContact O-N 3.29Å; Q89-F93 VanDerWaalsContact O-CB 3.3Å; Q89-F93 WeakPolarHBondContact O-CB 3.37Å; Q89-F93 PolarHBondContact O-N 2.81Å; Q89-W200 HydrophobicContact CB-CB 4.32Å; Q89-W200 HydrophobicContact CG-CB 4.03Å; Q89-W200 HydrophobicContact CG-CG 4.11Å; Q89-W200 VanDerWaalsContact OE1-CB 3.29Å |
| 90 | D | 98.9 | Very high | 98.7 | Very high | 9 Ų | 9 | 23.9 Ų | 23.9 | 5% | 0.048 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -56.1 | -48.2 | 171.3 | 171.7 | 54.2 | 0 | 0 | 0 | 111.2 | H86 F93 Y94 W129 W180 Y184 L199 | H86-D90 WeakPolarHBondContact O-CB 3.37Å; H86-D90 PolarHBondContact O-N 3.5Å; D90-F93 PolarHBondContact O-N 2.8Å; D90-Y94 WeakPolarHBondContact O-CB 3.4Å; D90-Y94 PolarHBondContact O-N 3.13Å; D90-W129 HydrophobicContact CB-CH2 3.93Å; D90-W129 HydrophobicContact CB-CZ3 4.3Å; D90-W180 PolarHBondContact OD2-NE1 2.78Å; D90-Y184 WeakPolarHBondContact OD1-CE2 3.38Å; D90-Y184 VanDerWaalsContact OD1-CZ 3.25Å; D90-Y184 PolarHBondContact OD1-OH 3.18Å; D90-L199 HydrophobicContact CB-CD1 4.47Å |
| 91 | T | 98.8 | Very high | 98.7 | Very high | 15 Ų | 15 | 22.1 Ų | 22.1 | 9% | 0.092 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.7 | -47.2 | 175.9 | -55.5 | 0 | 0 | 0 | 0 | 111.4 | A61 L68 F87 I88 Q89 F93 Y94 E95 | A61-T91 HydrophobicContact CB-CG2 3.63Å; L68-T91 HydrophobicContact CD1-CG2 3.94Å; F87-T91 WeakPolarHBondContact O-CB 3.39Å; F87-T91 PolarHBondContact O-N 3.36Å; F87-T91 PolarHBondContact O-OG1 3.28Å; I88-T91 PolarHBondContact O-N 2.81Å; Q89-T91 VanDerWaalsContact C-N 3.35Å; T91-F93 VanDerWaalsContact C-N 3.32Å; T91-F93 PolarHBondContact O-N 3Å; T91-Y94 PolarHBondContact O-N 3.35Å; T91-E95 HydrophobicContact CG2-CG 3.97Å; T91-E95 VanDerWaalsContact O-CB 3.31Å; T91-E95 WeakPolarHBondContact O-CB 3.38Å; T91-E95 WeakPolarHBondContact O-CG 3.23Å; T91-E95 PolarHBondContact O-N 2.04Å |
| 92 | C | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.007 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.6 | -43 | 175.8 | -65.1 | 0 | 0 | 0 | 0 | 111.6 | C44 W47 I88 Q89 C96 | C44-C92 WeakPolarHBondContact CA-SG 3.43Å; C44-C92 HydrophobicContact CB-CB 3.84Å; C44-C92 WeakPolarHBondContact CB-SG 3.37Å; C44-C92 PolarHBondContact N-SG 3.31Å; C44-C92 WeakPolarHBondContact SG-CB 3.23Å; C44-C92 CovalentContact SG-SG 2.04Å; C44-C92 PolarHBondContact SG-SG 3.3Å; W47-C92 HydrophobicContact CE3-CB 4.12Å; W47-C92 HydrophobicContact CH2-CB 3.78Å; W47-C92 HydrophobicContact CZ3-CB 3.4Å; I88-C92 PolarHBondContact O-N 3.28Å; I88-C92 PolarHBondContact O-SG 2.85Å; Q89-C92 PolarHBondContact O-N 3.29Å; C92-C96 WeakPolarHBondContact O-CA 3.08Å; C92-C96 WeakPolarHBondContact O-CB 3.16Å; C92-C96 PolarHBondContact O-N 2.8Å; C92-C96 PolarHBondContact O-SG 3.36Å; C92-C96 VanDerWaalsContact O-SG 3.33Å |
| 93 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -63.8 | -48 | 179.1 | 174.6 | -97.3 | 0 | 0 | 0 | 111.4 | W47 Q89 D90 T91 S97 L100 V119 Y184 M197 Q198 L199 | W47-F93 HydrophobicContact CH2-CB 4.24Å; W47-F93 HydrophobicContact CZ2-CB 3.94Å; W47-F93 HydrophobicContact CZ2-CD2 4.1Å; Q89-F93 VanDerWaalsContact O-CB 3.3Å; Q89-F93 WeakPolarHBondContact O-CB 3.37Å; Q89-F93 PolarHBondContact O-N 2.81Å; D90-F93 PolarHBondContact O-N 2.8Å; T91-F93 VanDerWaalsContact C-N 3.32Å; T91-F93 PolarHBondContact O-N 3Å; F93-S97 WeakPolarHBondContact O-CB 3.44Å; F93-S97 PolarHBondContact O-N 3.08Å; F93-L100 HydrophobicContact CE1-CD1 4.23Å; F93-L100 HydrophobicContact CE1-CD2 3.6Å; F93-L100 HydrophobicContact CE1-CG 4.38Å; F93-L100 HydrophobicContact CE2-CD2 4.44Å; F93-L100 HydrophobicContact CZ-CD2 3.46Å; F93-L100 VanDerWaalsContact CZ-CD2 3.46Å; F93-L100 HydrophobicContact CZ-CG 4.26Å; F93-V119 HydrophobicContact CE1-CG1 4.25Å; F93-V119 HydrophobicContact CZ-CG1 4.16Å; F93-Y184 HydrophobicContact CD1-CE1 4.17Å; F93-Y184 WeakPolarHBondContact CD1-OH 3.37Å; F93-Y184 AromaticContact CE1-CE1 3.82Å; F93-Y184 HydrophobicContact CE1-CE1 3.82Å; F93-M197 HydrophobicContact CE2-CB 4.17Å; F93-M197 HydrophobicContact CZ-CB 3.82Å; F93-M197 HydrophobicContact CZ-CG 4.18Å; F93-Q198 WeakPolarHBondContact CD2-O 3.32Å; F93-L199 HydrophobicContact CB-CD2 3.86Å; F93-L199 HydrophobicContact CD1-CD2 3.49Å; F93-L199 VanDerWaalsContact CD1-CD2 3.49Å; F93-L199 HydrophobicContact CD2-CD2 4.33Å; F93-L199 HydrophobicContact CE1-CD2 4.08Å; F93-L199 HydrophobicContact CG-CD2 3.63Å |
| 94 | Y | 98.8 | Very high | 98.5 | Very high | 23 Ų | 23 | 15.4 Ų | 15.4 | 9% | 0.09 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63 | -48.7 | 178.9 | 177.6 | -104 | 0 | 0 | 0 | 112.2 | M25 A27 H30 D90 T91 I116 | M25-Y94 HydrophobicContact CE-CD2 3.9Å; M25-Y94 HydrophobicContact CE-CE2 3.74Å; M25-Y94 WeakPolarHBondContact CE-O 3.05Å; M25-Y94 HydrophobicContact SD-CD2 4.22Å; M25-Y94 HydrophobicContact SD-CE2 3.43Å; M25-Y94 WeakPolarHBondContact SD-CE2 3.28Å; A27-Y94 WeakPolarHBondContact CB-OH 3.3Å; H30-Y94 AromaticContact CE1-CE1 3.82Å; H30-Y94 PolarHBondContact NE2-O 3.49Å; D90-Y94 WeakPolarHBondContact O-CB 3.4Å; D90-Y94 PolarHBondContact O-N 3.13Å; T91-Y94 PolarHBondContact O-N 3.35Å; Y94-I116 HydrophobicContact CD2-CD1 3.91Å; Y94-I116 HydrophobicContact CD2-CG1 4.05Å; Y94-I116 HydrophobicContact CE2-CD1 4.43Å; Y94-I116 HydrophobicContact CE2-CG1 4.06Å |
| 95 | E | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -77.5 | -34 | -174.8 | -60.7 | -64.2 | 170.9 | 0 | 0 | 112.5 | H30 C52 C53 T57 Y69 T91 | H30-E95 PolarHBondContact CD2-O 2.68Å; H30-E95 IonicContact CE1-OE2 3.01Å; H30-E95 PolarHBondContact CE1-OE2 2.82Å; H30-E95 IonicContact ND1-OE2 2.84Å; H30-E95 PolarHBondContact ND1-OE2 2.98Å; H30-E95 PolarHBondContact NE2-O 2.81Å; H30-E95 IonicContact NE2-OE2 3.6Å; C52-E95 CarbonylContact C-O 3.55Å; C52-E95 VanDerWaalsContact C-O 3.3Å; C52-E95 WeakPolarHBondContact CB-O 3.45Å; C53-E95 HydrophobicContact CB-CB 4.02Å; C53-E95 WeakPolarHBondContact CB-O 3.2Å; C53-E95 PolarHBondContact N-O 3.04Å; C53-E95 VanDerWaalsContact N-O 3.16Å; T57-E95 HydrophobicContact CG2-CB 3.97Å; T57-E95 HydrophobicContact CG2-CG 4.06Å; Y69-E95 VanDerWaalsContact CE2-OE1 3.27Å; Y69-E95 WeakPolarHBondContact CE2-OE1 3.47Å; Y69-E95 VanDerWaalsContact CZ-OE1 3.29Å; Y69-E95 PolarHBondContact OH-OE1 3.28Å; T91-E95 HydrophobicContact CG2-CG 3.97Å; T91-E95 VanDerWaalsContact O-CB 3.31Å; T91-E95 WeakPolarHBondContact O-CB 3.38Å; T91-E95 WeakPolarHBondContact O-CG 3.23Å; T91-E95 PolarHBondContact O-N 2.04Å |
| 96 | C | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.007 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -105.1 | -24 | -169 | -51.7 | 0 | 0 | 0 | 0 | 114.7 | W47 A51 C52 C53 C92 P98 | W47-C96 HydrophobicContact CB-CB 3.87Å; W47-C96 HydrophobicContact CD2-CB 4Å; W47-C96 HydrophobicContact CE3-CB 4.38Å; W47-C96 HydrophobicContact CG-CB 3.77Å; A51-C96 WeakPolarHBondContact CA-O 3.37Å; A51-C96 HydrophobicContact CB-CB 4.25Å; C52-C96 PolarHBondContact N-O 2.04Å; C53-C96 HydrophobicContact CB-CB 3.91Å; C53-C96 WeakPolarHBondContact CB-SG 3.3Å; C53-C96 WeakPolarHBondContact SG-CB 3.37Å; C53-C96 CovalentContact SG-SG 2.04Å; C53-C96 PolarHBondContact SG-SG 3.15Å; C92-C96 WeakPolarHBondContact O-CA 3.08Å; C92-C96 WeakPolarHBondContact O-CB 3.16Å; C92-C96 PolarHBondContact O-N 2.8Å; C92-C96 PolarHBondContact O-SG 3.36Å; C92-C96 VanDerWaalsContact O-SG 3.33Å; C96-P98 VanDerWaalsContact O-CD 3.3Å; C96-P98 WeakPolarHBondContact O-CD 3.36Å |
| 97 | S | 98.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.014 | 11% | 0.108 | C | C | . | . | trans | -71 | 120 | -171.7 | -173.7 | 0 | 0 | 0 | 0 | 112.5 | F93 H99 | F93-S97 WeakPolarHBondContact O-CB 3.44Å; F93-S97 PolarHBondContact O-N 3.08Å; S97-H99 PolarHBondContact O-N 3.27Å | ||
| 98 | P | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 2.3 | 177.8 | 37.1 | -37.7 | 0 | 0 | 0 | 113.3 | N22 M23 P34 C96 | N22-P98 WeakPolarHBondContact CA-O 3.05Å; M23-P98 PolarHBondContact N-O 3.15Å; M23-P98 CarbonylContact O-C 3.42Å; M23-P98 WeakPolarHBondContact O-CA 3.38Å; M23-P98 VanDerWaalsContact O-O 3.13Å; P34-P98 HydrophobicContact CB-CB 3.61Å; P34-P98 HydrophobicContact CG-CB 4.15Å; C96-P98 VanDerWaalsContact O-CD 3.3Å; C96-P98 WeakPolarHBondContact O-CD 3.36Å |
| 99 | H | 98.5 | Very high | 96.7 | Very high | 12 Ų | 12 | 28.9 Ų | 28.9 | 6% | 0.056 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 18.9 | -172 | -60.6 | -41.9 | 0 | 0 | 0 | 112.4 | L21 S97 M197 N207 A211 | L21-H99 PolarHBondContact O-ND1 3.43Å; S97-H99 PolarHBondContact O-N 3.27Å; H99-M197 HydrophobicContact CB-CE 4.28Å; H99-M197 WeakPolarHBondContact O-CE 3.37Å; H99-N207 HydrophobicContact CB-CB 4.41Å; H99-A211 HydrophobicContact CB-CB 3.99Å; H99-A211 WeakPolarHBondContact O-CB 3.47Å |
| 100 | L | 98.5 | Very high | 96.1 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | trans | -87.1 | -7.6 | -179.2 | -76.1 | 172.6 | 0 | 0 | 0 | 114.1 | M25 F93 P102 W103 I104 I116 V119 M197 | M25-L100 HydrophobicContact CE-CB 4.43Å; M25-L100 HydrophobicContact CE-CD1 3.6Å; F93-L100 HydrophobicContact CE1-CD1 4.23Å; F93-L100 HydrophobicContact CE1-CD2 3.6Å; F93-L100 HydrophobicContact CE1-CG 4.38Å; F93-L100 HydrophobicContact CE2-CD2 4.44Å; F93-L100 HydrophobicContact CZ-CD2 3.46Å; F93-L100 VanDerWaalsContact CZ-CD2 3.46Å; F93-L100 HydrophobicContact CZ-CG 4.26Å; L100-P102 VanDerWaalsContact C-N 3.33Å; L100-P102 WeakPolarHBondContact O-CD 3.34Å; L100-P102 VanDerWaalsContact O-N 3.1Å; L100-W103 PolarHBondContact O-N 3.19Å; L100-I104 PolarHBondContact O-N 3.46Å; L100-I116 HydrophobicContact CB-CG2 4.02Å; L100-I116 HydrophobicContact CD1-CG2 4.06Å; L100-I116 HydrophobicContact CD2-CG2 4.2Å; L100-I116 HydrophobicContact CG-CG2 4.32Å; L100-V119 HydrophobicContact CD2-CG1 4.18Å; L100-V119 HydrophobicContact CD2-CG2 3.9Å; L100-M197 HydrophobicContact CD2-CE 4.29Å | ||
| 101 | G | 97.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -44.8 | -42 | -175.4 | 0 | 0 | 0 | 0 | 0 | 117 | Q20 W103 I104 | Q20-G101 VanDerWaalsContact O-CA 3.31Å; Q20-G101 WeakPolarHBondContact O-CA 3.17Å; G101-W103 PolarHBondContact O-N 3.32Å; G101-I104 PolarHBondContact O-N 3.47Å; G101-I104 VanDerWaalsContact O-N 3.17Å |
| 102 | P | 96.6 | Very high | 95.1 | Very high | 37 Ų | 37 | 40.3 Ų | 40.3 | 24% | 0.24 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -61.6 | -15.8 | -179.6 | -22.8 | 33.8 | 0 | 0 | 0 | 114.8 | L100 A211 L215 | L100-P102 VanDerWaalsContact C-N 3.33Å; L100-P102 WeakPolarHBondContact O-CD 3.34Å; L100-P102 VanDerWaalsContact O-N 3.1Å; P102-A211 HydrophobicContact CG-CB 4.15Å; P102-L215 HydrophobicContact CB-CD2 4.28Å; P102-L215 HydrophobicContact CB-CG 4.49Å; P102-L215 HydrophobicContact CG-CD1 4.27Å; P102-L215 HydrophobicContact CG-CD2 3.88Å; P102-L215 HydrophobicContact CG-CG 3.75Å |
| 103 | W | 98.1 | Very high | 95 | Very high | 23 Ų | 23 | 46.3 Ų | 46.3 | 9% | 0.087 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -119.1 | 2.1 | -176.5 | -58 | -80.7 | 0 | 0 | 0 | 113.4 | L100 G101 I116 L117 V119 P120 M197 V210 Y214 | L100-W103 PolarHBondContact O-N 3.19Å; G101-W103 PolarHBondContact O-N 3.32Å; W103-I116 WeakPolarHBondContact O-CA 3.32Å; W103-L117 WeakPolarHBondContact CB-O 3.35Å; W103-L117 PolarHBondContact O-N 2.96Å; W103-V119 HydrophobicContact CB-CG2 3.5Å; W103-V119 VanDerWaalsContact CB-CG2 3.5Å; W103-V119 HydrophobicContact CD2-CG2 4.04Å; W103-V119 HydrophobicContact CE3-CG2 4.35Å; W103-V119 HydrophobicContact CG-CB 4.36Å; W103-V119 HydrophobicContact CG-CG2 3.67Å; W103-P120 HydrophobicContact CH2-CG 4.34Å; W103-P120 HydrophobicContact CZ2-CG 3.5Å; W103-P120 VanDerWaalsContact CZ2-CG 3.5Å; W103-M197 HydrophobicContact CE3-CE 4.09Å; W103-M197 HydrophobicContact CH2-CE 3.84Å; W103-M197 HydrophobicContact CH2-CG 4.18Å; W103-M197 HydrophobicContact CH2-SD 4.12Å; W103-M197 HydrophobicContact CZ3-CE 3.26Å; W103-M197 HydrophobicContact CZ3-CG 4.27Å; W103-M197 HydrophobicContact CZ3-SD 4.14Å; W103-V210 HydrophobicContact CH2-CG1 4.24Å; W103-Y214 AromaticContact CH2-CD2 3.71Å; W103-Y214 HydrophobicContact CH2-CD2 3.71Å; W103-Y214 HydrophobicContact CH2-CE2 4.39Å; W103-Y214 HydrophobicContact CH2-CG 4.1Å; W103-Y214 HydrophobicContact CZ2-CD1 4.15Å; W103-Y214 AromaticContact CZ2-CD2 3.41Å; W103-Y214 HydrophobicContact CZ2-CD2 3.41Å; W103-Y214 VanDerWaalsContact CZ2-CD2 3.41Å; W103-Y214 AromaticContact CZ2-CE2 3.89Å; W103-Y214 HydrophobicContact CZ2-CE2 3.89Å; W103-Y214 AromaticContact CZ2-CG 3.56Å; W103-Y214 HydrophobicContact CZ2-CG 3.56Å |
| 104 | I | 97.6 | Very high | 94.9 | Very high | 27 Ų | 27 | 48.8 Ų | 48.8 | 14% | 0.138 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 130.5 | 175.5 | -63.2 | 176.3 | 0 | 0 | 0 | 108.9 | M23 M25 L100 G101 E114 R115 I116 | M23-I104 HydrophobicContact CE-CD1 4Å; M23-I104 HydrophobicContact CG-CD1 4.11Å; M23-I104 HydrophobicContact SD-CD1 3.95Å; M25-I104 HydrophobicContact CB-CD1 3.62Å; M25-I104 HydrophobicContact CB-CG1 4.04Å; M25-I104 HydrophobicContact CB-CG2 4.19Å; L100-I104 PolarHBondContact O-N 3.46Å; G101-I104 PolarHBondContact O-N 3.47Å; G101-I104 VanDerWaalsContact O-N 3.17Å; I104-E114 HydrophobicContact CG2-CB 3.77Å; I104-E114 HydrophobicContact CG2-CG 4.12Å; I104-R115 CarbonylContact C-O 3.39Å; I104-R115 WeakPolarHBondContact CA-O 3.5Å; I104-I116 HydrophobicContact CG1-CG2 4.44Å |
| 105 | Q | 96.1 | Very high | 94.9 | Very high | 93 Ų | 93 | 48.9 Ų | 48.9 | 44% | 0.435 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 152.6 | 176 | -59.7 | -170 | 31 | 0 | 0 | 110 | E114 R115 L117 | Q105-E114 CarbonylContact O-C 3.46Å; Q105-E114 VanDerWaalsContact O-CA 3.27Å; Q105-E114 WeakPolarHBondContact O-CA 3.16Å; Q105-R115 PolarHBondContact N-O 3.22Å; Q105-R115 PolarHBondContact O-N 2.91Å; Q105-L117 HydrophobicContact CB-CD1 4.35Å; Q105-L117 HydrophobicContact CG-CD1 4.43Å |
| 106 | S | 95.3 | Very high | 94.8 | Very high | 111 Ų | 111 | 48.8 Ų | 48.8 | 78% | 0.776 | 25% | 0.25 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 139.3 | 172.5 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | ||
| 107 | A | 91.7 | Very high | 94.8 | Very high | 14 Ų | 14 | 50.5 Ų | 50.5 | 12% | 0.116 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 133 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | E109 R112 K113 R115 | A107-E109 HydrophobicContact CB-CG 4.44Å; A107-E109 PolarHBondContact O-N 3.3Å; A107-R112 HydrophobicContact CB-CG 4.14Å; A107-K113 PolarHBondContact N-O 3.41Å; A107-R115 HydrophobicContact CB-CB 4.29Å; A107-R115 HydrophobicContact CB-CG 4.03Å |
| 108 | D | 85.7 | Confident | 94.8 | Very high | 169 Ų | 169 | 53.8 Ų | 53.8 | 90% | 0.904 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 64.6 | 172.4 | -167.7 | 19.5 | 0 | 0 | 0 | 109.8 | ||
| 109 | E | 87 | Confident | 94.9 | Very high | 51 Ų | 51 | 53.8 Ų | 53.8 | 24% | 0.238 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 151 | -177.4 | -63.3 | 176.1 | -158.3 | 0 | 0 | 110.3 | A107 W111 R112 R115 | A107-E109 HydrophobicContact CB-CG 4.44Å; A107-E109 PolarHBondContact O-N 3.3Å; E109-W111 PolarHBondContact O-N 2.85Å; E109-W111 WeakPolarHBondContact OE2-CZ2 3.39Å; E109-W111 PolarHBondContact OE2-NE1 3.24Å; E109-R112 HydrophobicContact CB-CG 4.16Å; E109-R112 VanDerWaalsContact CD-NE 3.34Å; E109-R112 VanDerWaalsContact CD-NH2 3.34Å; E109-R112 IonicContact OE1-CZ 3.75Å; E109-R112 IonicContact OE1-NE 3.8Å; E109-R112 PolarHBondContact OE1-NE 2.97Å; E109-R112 IonicContact OE1-NH2 2.73Å; E109-R112 PolarHBondContact OE1-NH2 3.39Å; E109-R112 IonicContact OE2-CZ 3.74Å; E109-R112 VanDerWaalsContact OE2-CZ 3.26Å; E109-R112 IonicContact OE2-NE 2.81Å; E109-R112 PolarHBondContact OE2-NE 3.48Å; E109-R112 IonicContact OE2-NH2 2.65Å; E109-R112 PolarHBondContact OE2-NH2 3.41Å; E109-R115 IonicContact OE1-NH1 2.74Å; E109-R115 PolarHBondContact OE1-NH1 2.81Å |
| 110 | N | 87.7 | Confident | 94.9 | Very high | 178 Ų | 178 | 53.3 Ų | 53.3 | 95% | 0.952 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -18.2 | -175.6 | -70.8 | -26.7 | 0 | 0 | 0 | 114 | ||
| 111 | W | 86.9 | Confident | 94.9 | Very high | 95 Ų | 95 | 53.2 Ų | 53.2 | 36% | 0.36 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | -7.4 | -170.1 | 62.1 | -88.7 | 0 | 0 | 0 | 114.4 | K28 Y69 E109 | K28-W111 HydrophobicContact CB-CE3 4.08Å; K28-W111 WeakPolarHBondContact CB-O 3.24Å; K28-W111 HydrophobicContact CD-CE3 4.36Å; Y69-W111 HydrophobicContact CE1-CE3 4.03Å; Y69-W111 HydrophobicContact CE1-CH2 4.36Å; Y69-W111 AromaticContact CE1-CZ3 3.66Å; Y69-W111 HydrophobicContact CE1-CZ3 3.66Å; E109-W111 PolarHBondContact O-N 2.85Å; E109-W111 WeakPolarHBondContact OE2-CZ2 3.39Å; E109-W111 PolarHBondContact OE2-NE1 3.24Å |
| 112 | R | 89.8 | Confident | 95 | Very high | 6 Ų | 6 | 53.2 Ų | 53.2 | 2% | 0.023 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 148.5 | 175.2 | 58.9 | 174.9 | 175 | -163.4 | -5.3 | 110.7 | A27 A107 E109 E114 R115 | A27-R112 HydrophobicContact CB-CB 3.9Å; A107-R112 HydrophobicContact CB-CG 4.14Å; E109-R112 HydrophobicContact CB-CG 4.16Å; E109-R112 VanDerWaalsContact CD-NE 3.34Å; E109-R112 VanDerWaalsContact CD-NH2 3.34Å; E109-R112 IonicContact OE1-CZ 3.75Å; E109-R112 IonicContact OE1-NE 3.8Å; E109-R112 PolarHBondContact OE1-NE 2.97Å; E109-R112 IonicContact OE1-NH2 2.73Å; E109-R112 PolarHBondContact OE1-NH2 3.39Å; E109-R112 IonicContact OE2-CZ 3.74Å; E109-R112 VanDerWaalsContact OE2-CZ 3.26Å; E109-R112 IonicContact OE2-NE 2.81Å; E109-R112 PolarHBondContact OE2-NE 3.48Å; E109-R112 IonicContact OE2-NH2 2.65Å; E109-R112 PolarHBondContact OE2-NH2 3.41Å; R112-E114 WeakPolarHBondContact CD-O 3.19Å; R112-R115 VanDerWaalsContact NH2-CZ 3.31Å |
| 113 | K | 95.9 | Very high | 95.1 | Very high | 126 Ų | 126 | 54.9 Ų | 54.9 | 55% | 0.548 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -20.5 | 174.9 | -62.2 | -55.4 | -177.1 | -170.5 | 0 | 112.8 | N26 A107 | N26-K113 HydrophobicContact CB-CB 4.36Å; N26-K113 PolarHBondContact O-N 2.99Å; A107-K113 PolarHBondContact N-O 3.41Å |
| 114 | E | 97.4 | Very high | 95.1 | Very high | 53 Ų | 53 | 57 Ų | 57 | 25% | 0.248 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 152.8 | 178 | -64.9 | -178.4 | 144.7 | 0 | 0 | 110.9 | M25 N26 I104 Q105 R112 | M25-E114 HydrophobicContact CB-CB 4.29Å; N26-E114 HydrophobicContact CB-CB 4.45Å; N26-E114 HydrophobicContact CB-CG 4.15Å; N26-E114 WeakPolarHBondContact CB-OE2 3.44Å; N26-E114 PolarHBondContact N-OE2 3.19Å; N26-E114 PolarHBondContact O-N 3.36Å; I104-E114 HydrophobicContact CG2-CB 3.77Å; I104-E114 HydrophobicContact CG2-CG 4.12Å; Q105-E114 CarbonylContact O-C 3.46Å; Q105-E114 VanDerWaalsContact O-CA 3.27Å; Q105-E114 WeakPolarHBondContact O-CA 3.16Å; R112-E114 WeakPolarHBondContact CD-O 3.19Å |
| 115 | R | 97.5 | Very high | 95.1 | Very high | 24 Ų | 24 | 56 Ų | 56 | 9% | 0.091 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 165.3 | 174.3 | 68.2 | 177 | -71.6 | 177.5 | -8.9 | 111 | I104 Q105 A107 E109 R112 L117 H144 W180 S181 S183 | I104-R115 CarbonylContact C-O 3.39Å; I104-R115 WeakPolarHBondContact CA-O 3.5Å; Q105-R115 PolarHBondContact N-O 3.22Å; Q105-R115 PolarHBondContact O-N 2.91Å; A107-R115 HydrophobicContact CB-CB 4.29Å; A107-R115 HydrophobicContact CB-CG 4.03Å; E109-R115 IonicContact OE1-NH1 2.74Å; E109-R115 PolarHBondContact OE1-NH1 2.81Å; R112-R115 VanDerWaalsContact NH2-CZ 3.31Å; R115-L117 HydrophobicContact CG-CG 4.36Å; R115-H144 PolarHBondContact NH2-CE1 3.27Å; R115-H144 VanDerWaalsContact NH2-CE1 3.33Å; R115-W180 PolarHBondContact NH2-O 2.65Å; R115-W180 VanDerWaalsContact NH2-O 3.11Å; R115-S181 PolarHBondContact NH2-O 2.96Å; R115-S183 PolarHBondContact NH2-OG 3.4Å; R115-S183 VanDerWaalsContact NH2-OG 3.11Å |
| 116 | I | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 146.1 | 168.2 | 60.2 | 170.1 | 0 | 0 | 0 | 111.2 | M25 Y94 L100 W103 I104 V119 Y184 | M25-I116 HydrophobicContact CE-CG2 3.66Å; M25-I116 HydrophobicContact SD-CG2 4.29Å; Y94-I116 HydrophobicContact CD2-CD1 3.91Å; Y94-I116 HydrophobicContact CD2-CG1 4.05Å; Y94-I116 HydrophobicContact CE2-CD1 4.43Å; Y94-I116 HydrophobicContact CE2-CG1 4.06Å; L100-I116 HydrophobicContact CB-CG2 4.02Å; L100-I116 HydrophobicContact CD1-CG2 4.06Å; L100-I116 HydrophobicContact CD2-CG2 4.2Å; L100-I116 HydrophobicContact CG-CG2 4.32Å; W103-I116 WeakPolarHBondContact O-CA 3.32Å; I104-I116 HydrophobicContact CG1-CG2 4.44Å; I116-V119 HydrophobicContact CB-CG2 3.8Å; I116-V119 HydrophobicContact CD1-CG2 3.86Å; I116-V119 HydrophobicContact CG1-CG2 4.3Å; I116-V119 HydrophobicContact CG2-CG2 4.27Å; I116-Y184 HydrophobicContact CD1-CE1 4.09Å |
| 117 | L | 98.4 | Very high | 95.5 | Very high | 37 Ų | 37 | 49.7 Ų | 49.7 | 19% | 0.194 | 24% | 0.241 | C | C | . | . | trans | -139.9 | 137.4 | 170.5 | -72.3 | 177 | 0 | 0 | 0 | 110.8 | W103 Q105 R115 V119 N182 | W103-L117 WeakPolarHBondContact CB-O 3.35Å; W103-L117 PolarHBondContact O-N 2.96Å; Q105-L117 HydrophobicContact CB-CD1 4.35Å; Q105-L117 HydrophobicContact CG-CD1 4.43Å; R115-L117 HydrophobicContact CG-CG 4.36Å; L117-V119 VanDerWaalsContact C-N 3.3Å; L117-V119 PolarHBondContact O-N 3.01Å; L117-N182 WeakPolarHBondContact CA-O 3.43Å; L117-N182 HydrophobicContact CD2-CB 4.49Å | ||
| 118 | N | 98.6 | Very high | 95.8 | Very high | 70 Ų | 70 | 53.5 Ų | 53.5 | 37% | 0.374 | 26% | 0.256 | S | S | . | . | trans | 56.5 | 36.7 | 175.8 | -53.1 | -53.9 | 0 | 0 | 0 | 114.4 | P120 N182 S183 L185 | N118-P120 WeakPolarHBondContact O-CD 3.26Å; N118-N182 PolarHBondContact N-O 3.25Å; N118-S183 PolarHBondContact N-O 2.73Å; N118-L185 HydrophobicContact CB-CB 4.19Å | ||
| 119 | V | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 121.7 | 173 | 173.8 | 0 | 0 | 0 | 0 | 109 | F93 L100 W103 I116 L117 L121 S183 Y184 L185 M197 | F93-V119 HydrophobicContact CE1-CG1 4.25Å; F93-V119 HydrophobicContact CZ-CG1 4.16Å; L100-V119 HydrophobicContact CD2-CG1 4.18Å; L100-V119 HydrophobicContact CD2-CG2 3.9Å; W103-V119 HydrophobicContact CB-CG2 3.5Å; W103-V119 VanDerWaalsContact CB-CG2 3.5Å; W103-V119 HydrophobicContact CD2-CG2 4.04Å; W103-V119 HydrophobicContact CE3-CG2 4.35Å; W103-V119 HydrophobicContact CG-CB 4.36Å; W103-V119 HydrophobicContact CG-CG2 3.67Å; I116-V119 HydrophobicContact CB-CG2 3.8Å; I116-V119 HydrophobicContact CD1-CG2 3.86Å; I116-V119 HydrophobicContact CG1-CG2 4.3Å; I116-V119 HydrophobicContact CG2-CG2 4.27Å; L117-V119 VanDerWaalsContact C-N 3.3Å; L117-V119 PolarHBondContact O-N 3.01Å; V119-L121 PolarHBondContact O-N 3.46Å; V119-S183 PolarHBondContact N-O 2.89Å; V119-Y184 HydrophobicContact CB-CD1 3.82Å; V119-Y184 HydrophobicContact CB-CE1 4.21Å; V119-Y184 HydrophobicContact CG1-CD1 4.09Å; V119-Y184 HydrophobicContact CG1-CE1 4.24Å; V119-Y184 WeakPolarHBondContact O-CA 3.5Å; V119-L185 PolarHBondContact O-N 2.04Å; V119-M197 HydrophobicContact CG1-CB 3.83Å; V119-M197 HydrophobicContact CG1-CG 3.57Å |
| 120 | P | 98.8 | Very high | 97 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.019 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 97.9 | -173.5 | 28.7 | -34.5 | 0 | 0 | 0 | 109.4 | W103 N118 T187 C196 M197 Y214 | W103-P120 HydrophobicContact CH2-CG 4.34Å; W103-P120 HydrophobicContact CZ2-CG 3.5Å; W103-P120 VanDerWaalsContact CZ2-CG 3.5Å; N118-P120 WeakPolarHBondContact O-CD 3.26Å; P120-T187 HydrophobicContact CB-CG2 3.61Å; P120-C196 CarbonylContact O-C 3.46Å; P120-C196 VanDerWaalsContact O-CA 3.29Å; P120-C196 WeakPolarHBondContact O-CA 3.4Å; P120-C196 WeakPolarHBondContact O-CB 3.27Å; P120-M197 PolarHBondContact O-N 2.73Å; P120-Y214 HydrophobicContact CG-CE2 3.74Å |
| 121 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 136.8 | -177.5 | -162.9 | 64.4 | 0 | 0 | 0 | 110.6 | V119 D125 C126 C176 Y184 L185 T187 M197 L199 | V119-L121 PolarHBondContact O-N 3.46Å; L121-D125 HydrophobicContact CD1-CB 4.27Å; L121-D125 HydrophobicContact CD2-CB 4.37Å; L121-D125 HydrophobicContact CG-CB 4.14Å; L121-C126 HydrophobicContact CD2-CB 3.95Å; L121-C176 HydrophobicContact CD2-CB 4.43Å; L121-Y184 HydrophobicContact CB-CD1 4.43Å; L121-Y184 HydrophobicContact CD1-CD1 4.33Å; L121-Y184 HydrophobicContact CD1-CE1 4.47Å; L121-Y184 HydrophobicContact CD2-CG 4.44Å; L121-L185 PolarHBondContact N-O 3.32Å; L121-T187 WeakPolarHBondContact O-CB 3.25Å; L121-T187 PolarHBondContact O-N 2.71Å; L121-T187 PolarHBondContact O-OG1 3.33Å; L121-M197 WeakPolarHBondContact CD1-O 3.49Å; L121-L199 HydrophobicContact CD1-CD1 4.2Å; L121-L199 HydrophobicContact CD1-CD2 3.69Å; L121-L199 HydrophobicContact CD1-CG 3.54Å; L121-L199 HydrophobicContact CD2-CD1 4.17Å; L121-L199 HydrophobicContact CD2-CG 4.41Å |
| 122 | C | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -62.1 | 146.4 | 176.2 | -66.8 | 0 | 0 | 0 | 0 | 111.1 | E124 D125 C126 K191 C196 M197 | C122-E124 VanDerWaalsContact C-N 3.27Å; C122-E124 PolarHBondContact O-N 3.01Å; C122-D125 WeakPolarHBondContact CB-OD2 3.4Å; C122-D125 PolarHBondContact O-N 2.84Å; C122-C126 PolarHBondContact O-N 2.81Å; C122-K191 HydrophobicContact CB-CG 4.01Å; C122-C196 WeakPolarHBondContact CA-SG 3.16Å; C122-C196 HydrophobicContact CB-CB 3.92Å; C122-C196 WeakPolarHBondContact CB-SG 3.1Å; C122-C196 WeakPolarHBondContact SG-CB 3.47Å; C122-C196 PolarHBondContact SG-O 3.27Å; C122-C196 CovalentContact SG-SG 2.04Å; C122-C196 PolarHBondContact SG-SG 3.48Å; C122-M197 PolarHBondContact N-O 3.3Å; C122-M197 PolarHBondContact SG-O 3.3Å | ||
| 123 | K | 98.8 | Very high | 98.5 | Very high | 72 Ų | 72 | 37 Ų | 37 | 31% | 0.313 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -51.4 | -49.3 | -177.8 | -179.5 | -176.9 | 173.7 | -168.8 | 0 | 111.1 | D125 C126 E127 T187 L189 | K123-D125 PolarHBondContact O-N 3.02Å; K123-C126 PolarHBondContact O-N 3.44Å; K123-E127 WeakPolarHBondContact CE-OE1 3.48Å; K123-E127 WeakPolarHBondContact CE-OE2 2.94Å; K123-E127 HydrophobicContact CG-CG 4.17Å; K123-E127 IonicContact NZ-OE2 4Å; K123-E127 WeakPolarHBondContact O-CB 3.33Å; K123-E127 WeakPolarHBondContact O-CG 3.06Å; K123-E127 PolarHBondContact O-N 3.33Å; K123-T187 WeakPolarHBondContact CA-O 3.43Å; K123-L189 WeakPolarHBondContact CB-O 3.41Å; K123-L189 PolarHBondContact N-O 2.88Å |
| 124 | E | 98.8 | Very high | 98.7 | Very high | 67 Ų | 67 | 34 Ų | 34 | 31% | 0.313 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -65.9 | -38.9 | -175.2 | -61 | 84.1 | 172.2 | 0 | 0 | 112.9 | C122 Q128 T190 K191 | C122-E124 VanDerWaalsContact C-N 3.27Å; C122-E124 PolarHBondContact O-N 3.01Å; E124-Q128 WeakPolarHBondContact O-CB 3.39Å; E124-Q128 PolarHBondContact O-N 3.2Å; E124-T190 WeakPolarHBondContact OE1-CA 3.29Å; E124-T190 WeakPolarHBondContact OE1-CB 3.16Å; E124-T190 VanDerWaalsContact OE1-CG2 3.26Å; E124-T190 WeakPolarHBondContact OE1-CG2 3.05Å; E124-T190 WeakPolarHBondContact OE2-CA 3.49Å; E124-K191 HydrophobicContact CB-CD 4.4Å; E124-K191 HydrophobicContact CB-CG 4.31Å; E124-K191 PolarHBondContact OE2-N 3.46Å |
| 125 | D | 98.8 | Very high | 98.7 | Very high | 8 Ų | 8 | 36.1 Ų | 36.1 | 4% | 0.043 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.6 | -44.5 | 177.2 | -64.3 | -82.5 | 0 | 0 | 0 | 110.8 | L121 C122 K123 W129 K191 Q198 L199 | L121-D125 HydrophobicContact CD1-CB 4.27Å; L121-D125 HydrophobicContact CD2-CB 4.37Å; L121-D125 HydrophobicContact CG-CB 4.14Å; C122-D125 WeakPolarHBondContact CB-OD2 3.4Å; C122-D125 PolarHBondContact O-N 2.84Å; K123-D125 PolarHBondContact O-N 3.02Å; D125-W129 WeakPolarHBondContact O-CB 3.37Å; D125-W129 PolarHBondContact O-N 2.93Å; D125-W129 VanDerWaalsContact O-N 3.09Å; D125-K191 VanDerWaalsContact OD1-CE 3.24Å; D125-K191 WeakPolarHBondContact OD1-CE 3.39Å; D125-K191 IonicContact OD1-NZ 2.78Å; D125-K191 PolarHBondContact OD1-NZ 2.74Å; D125-K191 WeakPolarHBondContact OD2-CE 3.03Å; D125-K191 IonicContact OD2-NZ 3.38Å; D125-K191 PolarHBondContact OD2-NZ 3.41Å; D125-Q198 WeakPolarHBondContact OD2-CA 3.21Å; D125-L199 HydrophobicContact CB-CG 4.38Å; D125-L199 PolarHBondContact OD1-N 2.82Å |
| 126 | C | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.5 | -46.5 | -179.5 | -176.5 | 0 | 0 | 0 | 0 | 112.7 | L121 C122 K123 W130 P172 C176 Y186 | L121-C126 HydrophobicContact CD2-CB 3.95Å; C122-C126 PolarHBondContact O-N 2.81Å; K123-C126 PolarHBondContact O-N 3.44Å; C126-W130 PolarHBondContact O-N 3.11Å; C126-W130 VanDerWaalsContact O-N 3.08Å; C126-P172 VanDerWaalsContact SG-C 3.5Å; C126-P172 PolarHBondContact SG-O 2.91Å; C126-C176 WeakPolarHBondContact CA-SG 2.81Å; C126-C176 HydrophobicContact CB-CB 4.16Å; C126-C176 WeakPolarHBondContact CB-SG 3.04Å; C126-C176 WeakPolarHBondContact SG-CB 3.43Å; C126-C176 CovalentContact SG-SG 2.03Å; C126-C176 PolarHBondContact SG-SG 3.25Å; C126-Y186 HydrophobicContact CB-CD2 3.84Å; C126-Y186 HydrophobicContact CB-CE2 4.21Å; C126-Y186 VanDerWaalsContact SG-CD2 3.56Å |
| 127 | E | 98.9 | Very high | 98.8 | Very high | 70 Ų | 70 | 40.8 Ų | 40.8 | 33% | 0.327 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -66 | -42.7 | -179 | -69.9 | -173.8 | 168.2 | 0 | 0 | 111.5 | K123 W130 E131 P172 Y186 | K123-E127 WeakPolarHBondContact CE-OE1 3.48Å; K123-E127 WeakPolarHBondContact CE-OE2 2.94Å; K123-E127 HydrophobicContact CG-CG 4.17Å; K123-E127 IonicContact NZ-OE2 4Å; K123-E127 WeakPolarHBondContact O-CB 3.33Å; K123-E127 WeakPolarHBondContact O-CG 3.06Å; K123-E127 PolarHBondContact O-N 3.33Å; E127-W130 PolarHBondContact O-N 2.76Å; E127-E131 VanDerWaalsContact O-CB 3.27Å; E127-E131 WeakPolarHBondContact O-CB 3.43Å; E127-E131 PolarHBondContact O-N 2.87Å; E127-P172 HydrophobicContact CB-CB 4.5Å; E127-P172 HydrophobicContact CB-CG 4.42Å; E127-P172 HydrophobicContact CG-CB 4Å; E127-P172 HydrophobicContact CG-CG 4.01Å; E127-Y186 HydrophobicContact CG-CE2 4.32Å; E127-Y186 PolarHBondContact OE1-OH 3.06Å |
| 128 | Q | 98.9 | Very high | 98.8 | Very high | 94 Ų | 94 | 39 Ų | 39 | 44% | 0.439 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -68.9 | -38.4 | 179.2 | -170.1 | 59.7 | 54.3 | 0 | 0 | 112.1 | E124 E131 D132 | E124-Q128 WeakPolarHBondContact O-CB 3.39Å; E124-Q128 PolarHBondContact O-N 3.2Å; Q128-E131 PolarHBondContact O-N 2.86Å; Q128-D132 PolarHBondContact NE2-OD1 3.46Å; Q128-D132 PolarHBondContact NE2-OD2 3.42Å; Q128-D132 WeakPolarHBondContact O-CB 3.43Å; Q128-D132 PolarHBondContact O-N 2.9Å |
| 129 | W | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.1 | -49.2 | 173.9 | -179.6 | 6.3 | 0 | 0 | 0 | 111.1 | H86 F87 D90 D125 E131 D132 C133 M175 I179 W180 Y184 L199 | H86-W129 HydrophobicContact CB-CB 4Å; H86-W129 HydrophobicContact CB-CD2 4Å; H86-W129 HydrophobicContact CB-CG 3.5Å; H86-W129 AromaticContact CG-CD1 3.76Å; H86-W129 AromaticContact CG-CG 3.83Å; F87-W129 AromaticContact CD1-CZ2 3.75Å; F87-W129 HydrophobicContact CD1-CZ2 3.75Å; F87-W129 HydrophobicContact CD2-CZ2 4.48Å; F87-W129 AromaticContact CD2-NE1 3.92Å; F87-W129 HydrophobicContact CE1-CH2 4.45Å; F87-W129 AromaticContact CE1-CZ2 3.49Å; F87-W129 HydrophobicContact CE1-CZ2 3.49Å; F87-W129 VanDerWaalsContact CE1-CZ2 3.49Å; F87-W129 HydrophobicContact CE2-CZ2 4.23Å; F87-W129 AromaticContact CE2-NE1 3.55Å; F87-W129 HydrophobicContact CG-CZ2 4.24Å; F87-W129 AromaticContact CZ-CZ2 3.71Å; F87-W129 HydrophobicContact CZ-CZ2 3.71Å; F87-W129 AromaticContact CZ-NE1 3.79Å; D90-W129 HydrophobicContact CB-CH2 3.93Å; D90-W129 HydrophobicContact CB-CZ3 4.3Å; D125-W129 WeakPolarHBondContact O-CB 3.37Å; D125-W129 PolarHBondContact O-N 2.93Å; D125-W129 VanDerWaalsContact O-N 3.09Å; W129-E131 PolarHBondContact O-N 3.11Å; W129-D132 PolarHBondContact O-N 3.11Å; W129-C133 WeakPolarHBondContact O-CB 3.43Å; W129-C133 PolarHBondContact O-N 2.91Å; W129-C133 PolarHBondContact O-SG 2.65Å; W129-C133 VanDerWaalsContact O-SG 3.32Å; W129-M175 HydrophobicContact CB-CE 3.81Å; W129-M175 HydrophobicContact CD2-CE 3.5Å; W129-M175 VanDerWaalsContact CD2-CE 3.5Å; W129-M175 HydrophobicContact CE3-CE 3.95Å; W129-M175 HydrophobicContact CG-CE 3.42Å; W129-M175 VanDerWaalsContact CG-CE 3.42Å; W129-M175 HydrophobicContact CG-SD 4.45Å; W129-I179 HydrophobicContact CH2-CG2 4.44Å; W129-W180 AromaticContact CH2-NE1 3.91Å; W129-Y184 HydrophobicContact CZ3-CE2 4.39Å; W129-L199 HydrophobicContact CE3-CD1 3.88Å; W129-L199 HydrophobicContact CZ3-CD1 3.93Å |
| 130 | W | 98.9 | Very high | 98.8 | Very high | 40 Ų | 40 | 37.7 Ų | 37.7 | 15% | 0.152 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.7 | -43.6 | 178.4 | -179.7 | 89.7 | 0 | 0 | 0 | 112.3 | C126 E127 D132 C133 K134 T166 Y169 P172 M175 | C126-W130 PolarHBondContact O-N 3.11Å; C126-W130 VanDerWaalsContact O-N 3.08Å; E127-W130 PolarHBondContact O-N 2.76Å; W130-D132 PolarHBondContact O-N 3.09Å; W130-C133 CarbonylContact O-C 3.6Å; W130-C133 PolarHBondContact O-N 3.05Å; W130-K134 PolarHBondContact O-N 3.03Å; W130-T166 HydrophobicContact CH2-CG2 4.11Å; W130-T166 HydrophobicContact CZ2-CG2 3.75Å; W130-Y169 PolarHBondContact NE1-O 3.19Å; W130-P172 HydrophobicContact CB-CB 3.9Å; W130-P172 HydrophobicContact CB-CG 3.95Å; W130-P172 HydrophobicContact CD2-CG 3.88Å; W130-P172 HydrophobicContact CE3-CG 3.98Å; W130-P172 HydrophobicContact CG-CB 4.16Å; W130-P172 HydrophobicContact CG-CG 3.88Å; W130-M175 HydrophobicContact CB-CE 3.85Å; W130-M175 HydrophobicContact CB-SD 3.91Å; W130-M175 HydrophobicContact CG-SD 4.32Å |
| 131 | E | 98.9 | Very high | 98.7 | Very high | 77 Ų | 77 | 39.7 Ų | 39.7 | 36% | 0.36 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.5 | -42.5 | -178.8 | -179.2 | 63.7 | -167.5 | 0 | 0 | 111.9 | E127 Q128 W129 C133 K134 | E127-E131 VanDerWaalsContact O-CB 3.27Å; E127-E131 WeakPolarHBondContact O-CB 3.43Å; E127-E131 PolarHBondContact O-N 2.87Å; Q128-E131 PolarHBondContact O-N 2.86Å; W129-E131 PolarHBondContact O-N 3.11Å; E131-C133 VanDerWaalsContact C-N 3.27Å; E131-C133 PolarHBondContact O-N 2.85Å; E131-K134 WeakPolarHBondContact O-CD 3.49Å; E131-K134 VanDerWaalsContact O-CG 3.26Å; E131-K134 WeakPolarHBondContact O-CG 3.3Å; E131-K134 PolarHBondContact O-N 3.3Å; E131-K134 WeakPolarHBondContact OE1-CE 3.02Å; E131-K134 IonicContact OE1-NZ 3.48Å; E131-K134 PolarHBondContact OE1-NZ 3.01Å; E131-K134 IonicContact OE2-NZ 3.19Å |
| 132 | D | 98.9 | Very high | 98.7 | Very high | 37 Ų | 37 | 41.2 Ų | 41.2 | 20% | 0.198 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -73.1 | -18.2 | 178.3 | -76.6 | -37.2 | 0 | 0 | 0 | 113.4 | K82 H86 Q128 W129 W130 | K82-D132 HydrophobicContact CB-CB 3.92Å; H86-D132 IonicContact CD2-OD2 3.46Å; H86-D132 IonicContact CE1-OD2 3.93Å; H86-D132 IonicContact NE2-OD2 2.78Å; H86-D132 PolarHBondContact NE2-OD2 3.33Å; Q128-D132 PolarHBondContact NE2-OD1 3.46Å; Q128-D132 PolarHBondContact NE2-OD2 3.42Å; Q128-D132 WeakPolarHBondContact O-CB 3.43Å; Q128-D132 PolarHBondContact O-N 2.9Å; W129-D132 PolarHBondContact O-N 3.11Å; W130-D132 PolarHBondContact O-N 3.09Å |
| 133 | C | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -97.2 | -9 | 175.4 | -66.7 | 0 | 0 | 0 | 0 | 114 | C83 W129 W130 E131 D135 D136 W165 | C83-C133 WeakPolarHBondContact CA-SG 3.06Å; C83-C133 HydrophobicContact CB-CB 3.87Å; C83-C133 WeakPolarHBondContact CB-SG 3.18Å; C83-C133 WeakPolarHBondContact SG-CB 3.38Å; C83-C133 CovalentContact SG-SG 2.03Å; C83-C133 PolarHBondContact SG-SG 3.18Å; W129-C133 WeakPolarHBondContact O-CB 3.43Å; W129-C133 PolarHBondContact O-N 2.91Å; W129-C133 PolarHBondContact O-SG 2.65Å; W129-C133 VanDerWaalsContact O-SG 3.32Å; W130-C133 CarbonylContact O-C 3.6Å; W130-C133 PolarHBondContact O-N 3.05Å; E131-C133 VanDerWaalsContact C-N 3.27Å; E131-C133 PolarHBondContact O-N 2.85Å; C133-D135 PolarHBondContact O-N 3.16Å; C133-D136 WeakPolarHBondContact O-CB 3.4Å; C133-D136 PolarHBondContact O-N 2.85Å; C133-W165 HydrophobicContact CB-CD2 3.78Å; C133-W165 HydrophobicContact CB-CE3 4.38Å; C133-W165 HydrophobicContact CB-CG 4.01Å; C133-W165 HydrophobicContact CB-CZ2 4.05Å; C133-W165 WeakPolarHBondContact O-CB 3.35Å; C133-W165 VanDerWaalsContact O-CG 3.23Å |
| 134 | K | 98.7 | Very high | 98.6 | Very high | 63 Ų | 63 | 40.6 Ų | 40.6 | 27% | 0.274 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -27 | -167.1 | 77.1 | -172.1 | 178.7 | 179.3 | 0 | 115 | W130 E131 K164 T166 | W130-K134 PolarHBondContact O-N 3.03Å; E131-K134 WeakPolarHBondContact O-CD 3.49Å; E131-K134 VanDerWaalsContact O-CG 3.26Å; E131-K134 WeakPolarHBondContact O-CG 3.3Å; E131-K134 PolarHBondContact O-N 3.3Å; E131-K134 WeakPolarHBondContact OE1-CE 3.02Å; E131-K134 IonicContact OE1-NZ 3.48Å; E131-K134 PolarHBondContact OE1-NZ 3.01Å; E131-K134 IonicContact OE2-NZ 3.19Å; K134-K164 WeakPolarHBondContact O-CE 3.41Å; K134-T166 HydrophobicContact CB-CG2 3.83Å |
| 135 | D | 98.6 | Very high | 98.3 | Very high | 96 Ų | 96 | 43.4 Ų | 43.4 | 51% | 0.513 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -3.6 | 179.7 | -66.7 | -48.2 | 0 | 0 | 0 | 113.7 | C133 F137 K164 | C133-D135 PolarHBondContact O-N 3.16Å; D135-F137 WeakPolarHBondContact O-CE2 3.25Å; D135-K164 VanDerWaalsContact OD1-CE 3.3Å; D135-K164 WeakPolarHBondContact OD1-CE 3.04Å; D135-K164 IonicContact OD1-NZ 2.66Å; D135-K164 PolarHBondContact OD1-NZ 3.01Å |
| 136 | D | 98.8 | Very high | 98.2 | Very high | 18 Ų | 18 | 45.4 Ų | 45.4 | 10% | 0.096 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -80.4 | -179 | 172.1 | -72.5 | -36.5 | 0 | 0 | 0 | 111.3 | S80 C83 C133 W165 | S80-D136 WeakPolarHBondContact CB-OD1 3.38Å; S80-D136 VanDerWaalsContact CB-OD2 3.32Å; S80-D136 WeakPolarHBondContact CB-OD2 2.96Å; S80-D136 PolarHBondContact N-OD1 2.67Å; S80-D136 PolarHBondContact N-OD2 2.9Å; S80-D136 PolarHBondContact OG-OD2 3.14Å; C83-D136 WeakPolarHBondContact CB-OD2 3.46Å; C83-D136 PolarHBondContact SG-OD2 3.04Å; C133-D136 WeakPolarHBondContact O-CB 3.4Å; C133-D136 PolarHBondContact O-N 2.85Å; D136-W165 HydrophobicContact CB-CE3 4.38Å; D136-W165 WeakPolarHBondContact O-CB 3.03Å; D136-W165 PolarHBondContact O-N 3.25Å |
| 137 | F | 98.8 | Very high | 98.2 | Very high | 105 Ų | 105 | 46.2 Ų | 46.2 | 46% | 0.461 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 147.5 | -173.9 | -68.8 | -102.5 | 0 | 0 | 0 | 111.4 | C76 D135 R163 K164 | C76-F137 HydrophobicContact CB-CB 3.8Å; D135-F137 WeakPolarHBondContact O-CE2 3.25Å; F137-R163 VanDerWaalsContact CA-O 3.26Å; F137-R163 WeakPolarHBondContact CA-O 3.37Å; F137-R163 VanDerWaalsContact CD1-C 3.4Å; F137-R163 WeakPolarHBondContact CD1-O 3.3Å; F137-K164 HydrophobicContact CE1-CB 4.28Å |
| 138 | T | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 165.8 | 168.1 | -171.5 | 0 | 0 | 0 | 0 | 110.4 | H75 C76 K140 W143 R163 W165 V168 Y169 | H75-T138 PolarHBondContact NE2-OG1 3.45Å; C76-T138 VanDerWaalsContact SG-C 3.52Å; T138-K140 PolarHBondContact OG1-O 3.16Å; T138-W143 HydrophobicContact CG2-CZ2 4.39Å; T138-W143 VanDerWaalsContact OG1-CZ2 3.24Å; T138-W143 WeakPolarHBondContact OG1-CZ2 3.48Å; T138-W143 PolarHBondContact OG1-NE1 3.09Å; T138-R163 PolarHBondContact N-O 2.94Å; T138-R163 PolarHBondContact O-N 2.82Å; T138-W165 HydrophobicContact CG2-CE3 4.1Å; T138-W165 HydrophobicContact CG2-CZ3 4.19Å; T138-V168 HydrophobicContact CG2-CB 3.83Å; T138-V168 HydrophobicContact CG2-CG1 3.81Å; T138-V168 HydrophobicContact CG2-CG2 3.78Å; T138-Y169 HydrophobicContact CG2-CE2 4.13Å |
| 139 | C | 98.6 | Very high | 98.1 | Very high | 9 Ų | 9 | 46.7 Ų | 46.7 | 6% | 0.061 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -110.8 | -4.4 | 178.9 | 55.3 | 0 | 0 | 0 | 0 | 113 | C156 | C139-C156 HydrophobicContact CB-CB 3.76Å; C139-C156 WeakPolarHBondContact CB-SG 3.36Å; C139-C156 WeakPolarHBondContact SG-CA 3.03Å; C139-C156 WeakPolarHBondContact SG-CB 3.31Å; C139-C156 CovalentContact SG-SG 2.03Å; C139-C156 PolarHBondContact SG-SG 3.35Å |
| 140 | K | 98.2 | Very high | 98 | Very high | 33 Ų | 33 | 51.5 Ų | 51.5 | 14% | 0.143 | 27% | 0.267 | C | S | . | . | trans | -145.3 | 149.9 | -173.4 | -72.1 | 173.4 | 57.9 | 72.2 | 0 | 112.8 | T138 N142 W143 E145 G146 W147 P157 Y169 | T138-K140 PolarHBondContact OG1-O 3.16Å; K140-N142 WeakPolarHBondContact CE-O 3.48Å; K140-W143 PolarHBondContact O-NE1 3.26Å; K140-E145 WeakPolarHBondContact CE-O 3.44Å; K140-E145 PolarHBondContact NZ-O 2.99Å; K140-G146 WeakPolarHBondContact CE-O 3.4Å; K140-G146 PolarHBondContact NZ-O 2.82Å; K140-W147 HydrophobicContact CD-CD2 3.93Å; K140-W147 HydrophobicContact CD-CE3 3.83Å; K140-W147 HydrophobicContact CD-CH2 4.19Å; K140-W147 HydrophobicContact CD-CZ2 4.29Å; K140-W147 HydrophobicContact CD-CZ3 3.97Å; K140-P157 HydrophobicContact CD-CG 3.95Å; K140-P157 HydrophobicContact CG-CG 4.28Å; K140-Y169 PolarHBondContact O-OH 3.45Å | ||
| 141 | T | 98.1 | Very high | 97.8 | Very high | 44 Ų | 44 | 52.3 Ų | 52.3 | 27% | 0.27 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -92.8 | -29.2 | 177.1 | -49.1 | 0 | 0 | 0 | 0 | 113.5 | V168 Y169 Q178 I179 | T141-V168 WeakPolarHBondContact OG1-CG1 3.32Å; T141-Y169 VanDerWaalsContact C-OH 3.3Å; T141-Y169 WeakPolarHBondContact CA-OH 3.17Å; T141-Y169 HydrophobicContact CG2-CD1 4.06Å; T141-Y169 HydrophobicContact CG2-CE1 3.57Å; T141-Y169 WeakPolarHBondContact O-CE1 3.17Å; T141-Y169 PolarHBondContact O-OH 2.92Å; T141-Q178 HydrophobicContact CG2-CB 3.86Å; T141-Q178 HydrophobicContact CG2-CG 4.42Å; T141-Q178 CarbonylContact O-C 3.57Å; T141-I179 WeakPolarHBondContact O-CA 3.26Å |
| 142 | N | 98.3 | Very high | 97.6 | Very high | 33 Ų | 33 | 50.9 Ų | 50.9 | 18% | 0.176 | 28% | 0.284 | C | S | . | . | trans | -112.9 | 119.3 | 173.9 | -177.1 | -4.3 | 0 | 0 | 0 | 108.3 | K140 H144 E145 S181 | K140-N142 WeakPolarHBondContact CE-O 3.48Å; N142-H144 PolarHBondContact OD1-N 3.49Å; N142-E145 PolarHBondContact ND2-OE1 3.13Å; N142-S181 VanDerWaalsContact CG-OG 3.3Å; N142-S181 PolarHBondContact ND2-OG 3.46Å; N142-S181 VanDerWaalsContact ND2-OG 3.11Å; N142-S181 PolarHBondContact OD1-OG 3.12Å | ||
| 143 | W | 98.5 | Very high | 97.4 | Very high | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -98.7 | -2.3 | -175.4 | -72.5 | 21.6 | 0 | 0 | 0 | 113.5 | F71 W73 H75 M79 F87 T138 K140 W147 W165 Y169 I179 W180 | F71-W143 AromaticContact CE1-CE3 3.65Å; F71-W143 HydrophobicContact CE1-CE3 3.65Å; F71-W143 AromaticContact CE1-CZ3 3.88Å; F71-W143 HydrophobicContact CE1-CZ3 3.88Å; F71-W143 HydrophobicContact CZ-CB 4.23Å; F71-W143 HydrophobicContact CZ-CD2 4.02Å; F71-W143 AromaticContact CZ-CE3 3.45Å; F71-W143 HydrophobicContact CZ-CE3 3.45Å; F71-W143 VanDerWaalsContact CZ-CE3 3.45Å; F71-W143 HydrophobicContact CZ-CG 4.38Å; F71-W143 HydrophobicContact CZ-CZ3 4.15Å; W73-W143 AromaticContact CE3-CZ3 3.92Å; W73-W143 HydrophobicContact CE3-CZ3 3.92Å; W73-W143 HydrophobicContact CZ3-CE3 4.27Å; W73-W143 AromaticContact CZ3-CZ3 3.94Å; W73-W143 HydrophobicContact CZ3-CZ3 3.94Å; H75-W143 AromaticContact CE1-CE2 3.93Å; H75-W143 AromaticContact CE1-CH2 3.39Å; H75-W143 WeakPolarHBondContact CE1-CH2 3.37Å; H75-W143 AromaticContact CE1-CZ2 3.37Å; H75-W143 WeakPolarHBondContact CE1-CZ2 3.36Å; H75-W143 AromaticContact CE1-CZ3 3.95Å; H75-W143 AromaticContact NE2-CZ2 3.59Å; M79-W143 HydrophobicContact CE-CH2 3.91Å; M79-W143 HydrophobicContact CE-CZ3 4.39Å; F87-W143 HydrophobicContact CD1-CZ3 4.27Å; F87-W143 AromaticContact CE1-CE3 3.91Å; F87-W143 HydrophobicContact CE1-CE3 3.91Å; F87-W143 HydrophobicContact CE1-CH2 4.14Å; F87-W143 AromaticContact CE1-CZ3 3.43Å; F87-W143 HydrophobicContact CE1-CZ3 3.43Å; F87-W143 VanDerWaalsContact CE1-CZ3 3.43Å; F87-W143 HydrophobicContact CE2-CH2 4.2Å; F87-W143 HydrophobicContact CE2-CZ3 4.19Å; F87-W143 HydrophobicContact CZ-CE3 4.21Å; F87-W143 AromaticContact CZ-CH2 3.64Å; F87-W143 HydrophobicContact CZ-CH2 3.64Å; F87-W143 AromaticContact CZ-CZ3 3.42Å; F87-W143 HydrophobicContact CZ-CZ3 3.42Å; F87-W143 VanDerWaalsContact CZ-CZ3 3.42Å; T138-W143 HydrophobicContact CG2-CZ2 4.39Å; T138-W143 VanDerWaalsContact OG1-CZ2 3.24Å; T138-W143 WeakPolarHBondContact OG1-CZ2 3.48Å; T138-W143 PolarHBondContact OG1-NE1 3.09Å; K140-W143 PolarHBondContact O-NE1 3.26Å; W143-W147 HydrophobicContact CB-CZ2 3.97Å; W143-W147 AromaticContact CD1-CZ2 3.72Å; W143-W147 HydrophobicContact CD2-CH2 4.47Å; W143-W147 AromaticContact CD2-CZ2 3.92Å; W143-W147 HydrophobicContact CD2-CZ2 3.92Å; W143-W147 HydrophobicContact CG-CH2 4.45Å; W143-W147 AromaticContact CG-CZ2 3.6Å; W143-W147 HydrophobicContact CG-CZ2 3.6Å; W143-W147 PolarHBondContact O-NE1 3.44Å; W143-W165 AromaticContact CH2-CH2 3.52Å; W143-W165 HydrophobicContact CH2-CH2 3.52Å; W143-W165 AromaticContact CH2-CZ3 3.72Å; W143-W165 HydrophobicContact CH2-CZ3 3.72Å; W143-W165 AromaticContact CZ2-CH2 3.51Å; W143-W165 HydrophobicContact CZ2-CH2 3.51Å; W143-W165 AromaticContact CZ2-CZ3 3.59Å; W143-W165 HydrophobicContact CZ2-CZ3 3.59Å; W143-Y169 PolarHBondContact NE1-OH 2.56Å; W143-I179 WeakPolarHBondContact CA-O 3.35Å; W143-I179 HydrophobicContact CB-CG1 4.12Å; W143-I179 WeakPolarHBondContact CB-O 3.42Å; W143-I179 HydrophobicContact CD2-CD1 3.92Å; W143-I179 HydrophobicContact CD2-CG1 3.82Å; W143-I179 HydrophobicContact CE3-CD1 4.05Å; W143-I179 HydrophobicContact CE3-CG1 4.21Å; W143-I179 HydrophobicContact CG-CD1 4.38Å; W143-I179 HydrophobicContact CG-CG1 3.77Å; W143-I179 HydrophobicContact CH2-CD1 4.34Å; W143-I179 HydrophobicContact CZ2-CD1 4.23Å; W143-I179 HydrophobicContact CZ3-CD1 4.26Å; W143-I179 PolarHBondContact N-O 3.17Å; W143-W180 HydrophobicContact CB-CE3 3.96Å; W143-W180 HydrophobicContact CB-CH2 3.99Å; W143-W180 HydrophobicContact CB-CZ3 3.53Å; W143-W180 HydrophobicContact CE3-CH2 4.08Å; W143-W180 HydrophobicContact CE3-CZ2 4.34Å |
| 144 | H | 95.8 | Very high | 97.4 | Very high | 56 Ų | 56 | 50.6 Ų | 50.6 | 26% | 0.259 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -75.9 | -30 | 170.3 | -80.8 | 143.9 | 0 | 0 | 0 | 113.4 | R115 N142 W180 S181 | R115-H144 PolarHBondContact NH2-CE1 3.27Å; R115-H144 VanDerWaalsContact NH2-CE1 3.33Å; N142-H144 PolarHBondContact OD1-N 3.49Å; H144-W180 AromaticContact CD2-CE3 3.72Å; H144-W180 VanDerWaalsContact CE1-C 3.47Å; H144-W180 PolarHBondContact CE1-O 3.03Å; H144-W180 VanDerWaalsContact ND1-C 3.27Å; H144-W180 PolarHBondContact ND1-O 2.99Å; H144-W180 AromaticContact NE2-CE3 3.88Å; H144-S181 WeakPolarHBondContact CB-OG 3.24Å; H144-S181 PolarHBondContact ND1-OG 3.22Å |
| 145 | E | 94.3 | Very high | 97.4 | Very high | 126 Ų | 126 | 52.3 Ų | 52.3 | 59% | 0.589 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -141.4 | 160.8 | -166.7 | 68.2 | -175.7 | 172.4 | 0 | 0 | 114.2 | K140 N142 | K140-E145 WeakPolarHBondContact CE-O 3.44Å; K140-E145 PolarHBondContact NZ-O 2.99Å; N142-E145 PolarHBondContact ND2-OE1 3.13Å |
| 146 | G | 96.2 | Very high | 97.4 | Very high | 50 Ų | 50 | 49.2 Ų | 49.2 | 52% | 0.515 | 28% | 0.277 | S | S | . | . | trans | 71.5 | 29 | 174 | 0 | 0 | 0 | 0 | 0 | 114.6 | K140 | K140-G146 WeakPolarHBondContact CE-O 3.4Å; K140-G146 PolarHBondContact NZ-O 2.82Å | ||
| 147 | W | 98 | Very high | 97.3 | Very high | 18 Ų | 18 | 50.1 Ų | 50.1 | 7% | 0.068 | 28% | 0.284 | C | S | . | . | trans | -85.3 | 154.6 | 165.8 | -64.7 | 104.7 | 0 | 0 | 0 | 110.8 | F71 H75 K140 W143 W149 N154 | F71-W147 HydrophobicContact CE2-CZ2 4.19Å; F71-W147 AromaticContact CE2-NE1 3.75Å; F71-W147 HydrophobicContact CZ-CH2 4.48Å; F71-W147 AromaticContact CZ-CZ2 3.73Å; F71-W147 HydrophobicContact CZ-CZ2 3.73Å; H75-W147 HydrophobicContact CB-CZ3 4.16Å; H75-W147 AromaticContact CD2-CH2 3.7Å; H75-W147 AromaticContact CD2-CZ3 3.84Å; H75-W147 AromaticContact CE1-CH2 3.79Å; H75-W147 AromaticContact CG-CH2 3.78Å; H75-W147 AromaticContact CG-CZ3 3.8Å; H75-W147 AromaticContact ND1-CH2 3.83Å; H75-W147 AromaticContact NE2-CH2 3.7Å; K140-W147 HydrophobicContact CD-CD2 3.93Å; K140-W147 HydrophobicContact CD-CE3 3.83Å; K140-W147 HydrophobicContact CD-CH2 4.19Å; K140-W147 HydrophobicContact CD-CZ2 4.29Å; K140-W147 HydrophobicContact CD-CZ3 3.97Å; W143-W147 HydrophobicContact CB-CZ2 3.97Å; W143-W147 AromaticContact CD1-CZ2 3.72Å; W143-W147 HydrophobicContact CD2-CH2 4.47Å; W143-W147 AromaticContact CD2-CZ2 3.92Å; W143-W147 HydrophobicContact CD2-CZ2 3.92Å; W143-W147 HydrophobicContact CG-CH2 4.45Å; W143-W147 AromaticContact CG-CZ2 3.6Å; W143-W147 HydrophobicContact CG-CZ2 3.6Å; W143-W147 PolarHBondContact O-NE1 3.44Å; W147-W149 HydrophobicContact CB-CZ2 4.5Å; W147-N154 HydrophobicContact CB-CB 3.73Å; W147-N154 HydrophobicContact CD2-CB 3.72Å; W147-N154 HydrophobicContact CE3-CB 3.9Å; W147-N154 HydrophobicContact CG-CB 3.65Å | ||
| 148 | D | 98 | Very high | 97.2 | Very high | 62 Ų | 62 | 50.3 Ų | 50.3 | 33% | 0.332 | 31% | 0.305 | S | S | . | . | B | Isolated β-bridge | trans | -83.9 | 118.5 | 163.5 | 178.3 | 3.8 | 0 | 0 | 0 | 109.4 | S150 N154 K155 | D148-S150 WeakPolarHBondContact OD1-CB 3.05Å; D148-S150 PolarHBondContact OD1-N 3.41Å; D148-S150 PolarHBondContact OD1-OG 2.78Å; D148-S150 PolarHBondContact OD2-OG 2.03Å; D148-N154 CarbonylContact O-C 3.3Å; D148-N154 WeakPolarHBondContact O-CA 3.1Å; D148-K155 HydrophobicContact CB-CB 4.27Å; D148-K155 PolarHBondContact N-O 3.01Å; D148-K155 PolarHBondContact O-N 3.22Å |
| 149 | W | 97.1 | Very high | 97 | Very high | 111 Ų | 111 | 54.2 Ų | 54.2 | 42% | 0.42 | 35% | 0.345 | S | S | . | . | trans | -107.2 | 9.1 | 179.7 | -67.8 | 98.4 | 0 | 0 | 0 | 113.3 | Y69 F71 W147 S151 G152 N154 | Y69-W149 WeakPolarHBondContact O-CH2 3.4Å; F71-W149 HydrophobicContact CD2-CH2 4.34Å; W147-W149 HydrophobicContact CB-CZ2 4.5Å; W149-S151 PolarHBondContact O-N 3.46Å; W149-G152 PolarHBondContact O-N 3.4Å; W149-N154 HydrophobicContact CD2-CB 4.23Å; W149-N154 HydrophobicContact CE3-CB 4.18Å; W149-N154 VanDerWaalsContact CE3-N 3.34Å; W149-N154 HydrophobicContact CH2-CB 3.71Å; W149-N154 HydrophobicContact CZ2-CB 3.76Å; W149-N154 HydrophobicContact CZ3-CB 3.94Å; W149-N154 VanDerWaalsContact CZ3-N 3.27Å | ||
| 150 | S | 96.9 | Very high | 96.9 | Very high | 101 Ų | 101 | 55.8 Ų | 55.8 | 71% | 0.706 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -24.3 | -174.6 | 58.6 | 0 | 0 | 0 | 0 | 114.4 | D148 | D148-S150 WeakPolarHBondContact OD1-CB 3.05Å; D148-S150 PolarHBondContact OD1-N 3.41Å; D148-S150 PolarHBondContact OD1-OG 2.78Å; D148-S150 PolarHBondContact OD2-OG 2.03Å |
| 151 | S | 94.8 | Very high | 96.9 | Very high | 58 Ų | 58 | 61.3 Ų | 61.3 | 41% | 0.406 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 6.9 | 175.8 | 55.8 | 0 | 0 | 0 | 0 | 115.2 | W149 T153 K155 | W149-S151 PolarHBondContact O-N 3.46Å; S151-T153 VanDerWaalsContact C-N 3.31Å; S151-T153 PolarHBondContact O-N 3.08Å; S151-K155 WeakPolarHBondContact OG-CD 3.38Å; S151-K155 WeakPolarHBondContact OG-CE 3.39Å; S151-K155 PolarHBondContact OG-NZ 3.18Å |
| 152 | G | 94.7 | Very high | 96.9 | Very high | 46 Ų | 46 | 62.2 Ų | 62.2 | 47% | 0.474 | 39% | 0.39 | S | S | . | . | S | Bend | trans | 86.6 | -13.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y70 W149 | Y70-G152 WeakPolarHBondContact CB-O 3.21Å; W149-G152 PolarHBondContact O-N 3.4Å |
| 153 | T | 96.4 | Very high | 96.9 | Very high | 31 Ų | 31 | 65.9 Ų | 65.9 | 19% | 0.19 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -124.8 | 156.5 | 170.4 | 63.2 | 0 | 0 | 0 | 0 | 109.3 | N65 Y70 S151 K155 | N65-T153 HydrophobicContact CB-CG2 3.99Å; Y70-T153 WeakPolarHBondContact O-CA 3.43Å; S151-T153 VanDerWaalsContact C-N 3.31Å; S151-T153 PolarHBondContact O-N 3.08Å; T153-K155 PolarHBondContact O-N 2.63Å |
| 154 | N | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 42% | 0.416 | C | S | . | . | trans | -66.8 | 136.2 | 178.7 | 59.5 | -58.7 | 0 | 0 | 0 | 112.2 | F71 N72 W147 D148 W149 | F71-N154 VanDerWaalsContact CA-OD1 3.3Å; F71-N154 WeakPolarHBondContact CA-OD1 3.27Å; F71-N154 WeakPolarHBondContact CZ-ND2 3.48Å; N72-N154 WeakPolarHBondContact CB-OD1 3.44Å; N72-N154 PolarHBondContact N-OD1 3.09Å; N72-N154 PolarHBondContact O-ND2 3.01Å; W147-N154 HydrophobicContact CB-CB 3.73Å; W147-N154 HydrophobicContact CD2-CB 3.72Å; W147-N154 HydrophobicContact CE3-CB 3.9Å; W147-N154 HydrophobicContact CG-CB 3.65Å; D148-N154 CarbonylContact O-C 3.3Å; D148-N154 WeakPolarHBondContact O-CA 3.1Å; W149-N154 HydrophobicContact CD2-CB 4.23Å; W149-N154 HydrophobicContact CE3-CB 4.18Å; W149-N154 VanDerWaalsContact CE3-N 3.34Å; W149-N154 HydrophobicContact CH2-CB 3.71Å; W149-N154 HydrophobicContact CZ2-CB 3.76Å; W149-N154 HydrophobicContact CZ3-CB 3.94Å; W149-N154 VanDerWaalsContact CZ3-N 3.27Å | ||
| 155 | K | 98.2 | Very high | 97.1 | Very high | 100 Ų | 100 | 66.5 Ų | 66.5 | 44% | 0.435 | 40% | 0.404 | S | S | . | . | B | Isolated β-bridge | trans | -128 | 153 | 170.4 | -71.8 | -179.4 | 174.7 | 164.6 | 0 | 110.5 | D148 S151 T153 | D148-K155 HydrophobicContact CB-CB 4.27Å; D148-K155 PolarHBondContact N-O 3.01Å; D148-K155 PolarHBondContact O-N 3.22Å; S151-K155 WeakPolarHBondContact OG-CD 3.38Å; S151-K155 WeakPolarHBondContact OG-CE 3.39Å; S151-K155 PolarHBondContact OG-NZ 3.18Å; T153-K155 PolarHBondContact O-N 2.63Å |
| 156 | C | 98.4 | Very high | 97.3 | Very high | 30 Ų | 30 | 62.4 Ų | 62.4 | 20% | 0.203 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -53.1 | 131.9 | 173.2 | -67.6 | 0 | 0 | 0 | 0 | 110.7 | C76 C139 S160 | C76-C156 VanDerWaalsContact SG-SG 3.61Å; C139-C156 HydrophobicContact CB-CB 3.76Å; C139-C156 WeakPolarHBondContact CB-SG 3.36Å; C139-C156 WeakPolarHBondContact SG-CA 3.03Å; C139-C156 WeakPolarHBondContact SG-CB 3.31Å; C139-C156 CovalentContact SG-SG 2.03Å; C139-C156 PolarHBondContact SG-SG 3.35Å; C156-S160 WeakPolarHBondContact CB-OG 3.38Å |
| 157 | P | 97.6 | Very high | 97.4 | Very high | 38 Ų | 38 | 64.7 Ų | 64.7 | 25% | 0.247 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 154 | -178.3 | 26 | -34.5 | 0 | 0 | 0 | 110.8 | K140 G159 S160 | K140-P157 HydrophobicContact CD-CG 3.95Å; K140-P157 HydrophobicContact CG-CG 4.28Å; P157-G159 PolarHBondContact O-N 2.81Å; P157-S160 WeakPolarHBondContact CD-OG 3.43Å; P157-S160 WeakPolarHBondContact O-CB 3.42Å; P157-S160 PolarHBondContact O-N 3.37Å; P157-S160 PolarHBondContact O-OG 3.14Å |
| 158 | A | 95.9 | Very high | 97.4 | Very high | 108 Ų | 108 | 64.2 Ų | 64.2 | 89% | 0.893 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 133.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S160 | A158-S160 VanDerWaalsContact C-N 3.25Å; A158-S160 PolarHBondContact O-N 2.97Å |
| 159 | G | 95.2 | Very high | 97.5 | Very high | 83 Ų | 83 | 61.3 Ų | 61.3 | 86% | 0.856 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | -7.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | P157 | P157-G159 PolarHBondContact O-N 2.81Š|
| 160 | S | 97.3 | Very high | 97.6 | Very high | 42 Ų | 42 | 60.3 Ų | 60.3 | 29% | 0.294 | 38% | 0.379 | S | S | . | . | trans | -76.5 | 151.1 | 170.2 | 67.9 | 0 | 0 | 0 | 0 | 111.6 | C156 P157 A158 | C156-S160 WeakPolarHBondContact CB-OG 3.38Å; P157-S160 WeakPolarHBondContact CD-OG 3.43Å; P157-S160 WeakPolarHBondContact O-CB 3.42Å; P157-S160 PolarHBondContact O-N 3.37Å; P157-S160 PolarHBondContact O-OG 3.14Å; A158-S160 VanDerWaalsContact C-N 3.25Å; A158-S160 PolarHBondContact O-N 2.97Å | ||
| 161 | Q | 97.4 | Very high | 97.6 | Very high | 148 Ų | 148 | 58.7 Ų | 58.7 | 69% | 0.692 | 37% | 0.365 | S | S | * | . | trans | -118.3 | 140.8 | 177.6 | -64.4 | -178 | 1.1 | 0 | 0 | 109.6 | R163 | Q161-R163 PolarHBondContact O-N 2.77Š| ||
| 162 | C | 98.6 | Very high | 97.8 | Very high | 64 Ų | 64 | 57.1 Ų | 57.1 | 43% | 0.432 | 35% | 0.353 | S | S | . | . | trans | -68 | 124.8 | 168.4 | -68.4 | 0 | 0 | 0 | 0 | 109.4 | C76 | C76-C162 WeakPolarHBondContact CA-SG 3.4Å; C76-C162 HydrophobicContact CB-CB 3.68Å; C76-C162 WeakPolarHBondContact CB-SG 3.19Å; C76-C162 VanDerWaalsContact SG-CA 3.53Å; C76-C162 WeakPolarHBondContact SG-CB 3.49Å; C76-C162 CovalentContact SG-SG 2.04Å; C76-C162 PolarHBondContact SG-SG 2.9Å | ||
| 163 | R | 98.5 | Very high | 98 | Very high | 109 Ų | 109 | 59.9 Ų | 59.9 | 41% | 0.411 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 159.5 | -179 | -65.2 | -178 | -67.4 | 157.8 | 0.9 | 109.5 | F137 T138 Q161 D167 V168 | F137-R163 VanDerWaalsContact CA-O 3.26Å; F137-R163 WeakPolarHBondContact CA-O 3.37Å; F137-R163 VanDerWaalsContact CD1-C 3.4Å; F137-R163 WeakPolarHBondContact CD1-O 3.3Å; T138-R163 PolarHBondContact N-O 2.94Å; T138-R163 PolarHBondContact O-N 2.82Å; Q161-R163 PolarHBondContact O-N 2.77Å; R163-D167 HydrophobicContact CB-CB 4.28Å; R163-V168 HydrophobicContact CB-CG2 3.96Å |
| 164 | K | 98.6 | Very high | 98.1 | Very high | 72 Ų | 72 | 59.1 Ų | 59.1 | 31% | 0.313 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 143.5 | 177.7 | -169.2 | 171.1 | -177.6 | 169.8 | 0 | 109.2 | K134 D135 F137 T166 D167 V168 | K134-K164 WeakPolarHBondContact O-CE 3.41Å; D135-K164 VanDerWaalsContact OD1-CE 3.3Å; D135-K164 WeakPolarHBondContact OD1-CE 3.04Å; D135-K164 IonicContact OD1-NZ 2.66Å; D135-K164 PolarHBondContact OD1-NZ 3.01Å; F137-K164 HydrophobicContact CE1-CB 4.28Å; K164-T166 PolarHBondContact O-N 2.88Å; K164-T166 VanDerWaalsContact O-N 3.16Å; K164-D167 WeakPolarHBondContact CB-OD2 3.4Å; K164-D167 WeakPolarHBondContact O-CB 3.45Å; K164-D167 PolarHBondContact O-N 2.03Å; K164-V168 PolarHBondContact O-N 3.4Å |
| 165 | W | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -50.1 | -43.8 | -178.4 | -164.3 | -94.5 | 0 | 0 | 0 | 112.1 | F87 C133 D136 T138 W143 D167 V168 Y169 M175 I179 | F87-W165 AromaticContact CE2-CH2 3.92Å; F87-W165 HydrophobicContact CE2-CH2 3.92Å; F87-W165 HydrophobicContact CE2-CZ2 4.43Å; F87-W165 AromaticContact CZ-CH2 3.7Å; F87-W165 HydrophobicContact CZ-CH2 3.7Å; F87-W165 HydrophobicContact CZ-CZ2 4.19Å; C133-W165 HydrophobicContact CB-CD2 3.78Å; C133-W165 HydrophobicContact CB-CE3 4.38Å; C133-W165 HydrophobicContact CB-CG 4.01Å; C133-W165 HydrophobicContact CB-CZ2 4.05Å; C133-W165 WeakPolarHBondContact O-CB 3.35Å; C133-W165 VanDerWaalsContact O-CG 3.23Å; D136-W165 HydrophobicContact CB-CE3 4.38Å; D136-W165 WeakPolarHBondContact O-CB 3.03Å; D136-W165 PolarHBondContact O-N 3.25Å; T138-W165 HydrophobicContact CG2-CE3 4.1Å; T138-W165 HydrophobicContact CG2-CZ3 4.19Å; W143-W165 AromaticContact CH2-CH2 3.52Å; W143-W165 HydrophobicContact CH2-CH2 3.52Å; W143-W165 AromaticContact CH2-CZ3 3.72Å; W143-W165 HydrophobicContact CH2-CZ3 3.72Å; W143-W165 AromaticContact CZ2-CH2 3.51Å; W143-W165 HydrophobicContact CZ2-CH2 3.51Å; W143-W165 AromaticContact CZ2-CZ3 3.59Å; W143-W165 HydrophobicContact CZ2-CZ3 3.59Å; W165-D167 VanDerWaalsContact C-N 3.26Å; W165-D167 PolarHBondContact O-N 2.75Å; W165-V168 PolarHBondContact O-N 3.41Å; W165-V168 VanDerWaalsContact O-N 3.15Å; W165-Y169 HydrophobicContact CD2-CD2 4.12Å; W165-Y169 HydrophobicContact CD2-CE2 4.46Å; W165-Y169 AromaticContact CE2-CD2 3.63Å; W165-Y169 AromaticContact CE2-CE2 3.93Å; W165-Y169 HydrophobicContact CG-CD2 4.38Å; W165-Y169 HydrophobicContact CH2-CE2 4.18Å; W165-Y169 AromaticContact CZ2-CD2 3.94Å; W165-Y169 HydrophobicContact CZ2-CD2 3.94Å; W165-Y169 AromaticContact CZ2-CE2 3.78Å; W165-Y169 HydrophobicContact CZ2-CE2 3.78Å; W165-Y169 AromaticContact NE1-CD2 3.63Å; W165-Y169 PolarHBondContact O-N 2.98Å; W165-M175 HydrophobicContact CZ2-CG 4.08Å; W165-M175 HydrophobicContact CZ2-SD 3.71Å; W165-M175 PolarHBondContact NE1-SD 3.23Å; W165-I179 HydrophobicContact CH2-CD1 3.97Å; W165-I179 HydrophobicContact CZ2-CD1 3.99Å |
| 166 | T | 98.8 | Very high | 98.2 | Very high | 39 Ų | 39 | 54.4 Ų | 54.4 | 24% | 0.239 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.3 | -25 | 178.1 | 55.1 | 0 | 0 | 0 | 0 | 114.3 | W130 K134 K164 Y169 P170 | W130-T166 HydrophobicContact CH2-CG2 4.11Å; W130-T166 HydrophobicContact CZ2-CG2 3.75Å; K134-T166 HydrophobicContact CB-CG2 3.83Å; K164-T166 PolarHBondContact O-N 2.88Å; K164-T166 VanDerWaalsContact O-N 3.16Å; T166-Y169 CarbonylContact O-C 3.58Å; T166-P170 WeakPolarHBondContact O-CA 3.4Å |
| 167 | D | 98.6 | Very high | 98.2 | Very high | 98 Ų | 98 | 54.4 Ų | 54.4 | 52% | 0.524 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -79.1 | -27.8 | 177.2 | -57.2 | -20.5 | 0 | 0 | 0 | 111.4 | R163 K164 W165 | R163-D167 HydrophobicContact CB-CB 4.28Å; K164-D167 WeakPolarHBondContact CB-OD2 3.4Å; K164-D167 WeakPolarHBondContact O-CB 3.45Å; K164-D167 PolarHBondContact O-N 2.03Å; W165-D167 VanDerWaalsContact C-N 3.26Å; W165-D167 PolarHBondContact O-N 2.75Å |
| 168 | V | 98.8 | Very high | 98.3 | Very high | 9 Ų | 9 | 56.7 Ų | 56.7 | 6% | 0.055 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -88.7 | -39.5 | 178.1 | -176 | 0 | 0 | 0 | 0 | 111.1 | T138 T141 R163 K164 W165 | T138-V168 HydrophobicContact CG2-CB 3.83Å; T138-V168 HydrophobicContact CG2-CG1 3.81Å; T138-V168 HydrophobicContact CG2-CG2 3.78Å; T141-V168 WeakPolarHBondContact OG1-CG1 3.32Å; R163-V168 HydrophobicContact CB-CG2 3.96Å; K164-V168 PolarHBondContact O-N 3.4Å; W165-V168 PolarHBondContact O-N 3.41Å; W165-V168 VanDerWaalsContact O-N 3.15Å |
| 169 | Y | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -123.9 | 90 | 176.6 | -56.2 | -67.1 | 0 | 0 | 0 | 110.2 | W130 T138 K140 T141 W143 W165 T166 T171 M175 Q178 I179 | W130-Y169 PolarHBondContact NE1-O 3.19Å; T138-Y169 HydrophobicContact CG2-CE2 4.13Å; K140-Y169 PolarHBondContact O-OH 3.45Å; T141-Y169 VanDerWaalsContact C-OH 3.3Å; T141-Y169 WeakPolarHBondContact CA-OH 3.17Å; T141-Y169 HydrophobicContact CG2-CD1 4.06Å; T141-Y169 HydrophobicContact CG2-CE1 3.57Å; T141-Y169 WeakPolarHBondContact O-CE1 3.17Å; T141-Y169 PolarHBondContact O-OH 2.92Å; W143-Y169 PolarHBondContact NE1-OH 2.56Å; W165-Y169 HydrophobicContact CD2-CD2 4.12Å; W165-Y169 HydrophobicContact CD2-CE2 4.46Å; W165-Y169 AromaticContact CE2-CD2 3.63Å; W165-Y169 AromaticContact CE2-CE2 3.93Å; W165-Y169 HydrophobicContact CG-CD2 4.38Å; W165-Y169 HydrophobicContact CH2-CE2 4.18Å; W165-Y169 AromaticContact CZ2-CD2 3.94Å; W165-Y169 HydrophobicContact CZ2-CD2 3.94Å; W165-Y169 AromaticContact CZ2-CE2 3.78Å; W165-Y169 HydrophobicContact CZ2-CE2 3.78Å; W165-Y169 AromaticContact NE1-CD2 3.63Å; W165-Y169 PolarHBondContact O-N 2.98Å; T166-Y169 CarbonylContact O-C 3.58Å; Y169-T171 PolarHBondContact O-N 2.82Å; Y169-T171 VanDerWaalsContact O-N 3.14Å; Y169-M175 VanDerWaalsContact CD1-CA 3.43Å; Y169-M175 HydrophobicContact CD1-CB 3.98Å; Y169-M175 HydrophobicContact CD1-CG 4.3Å; Y169-M175 HydrophobicContact CD2-CB 4.27Å; Y169-M175 HydrophobicContact CD2-CG 3.94Å; Y169-M175 HydrophobicContact CE2-CG 4.23Å; Y169-M175 HydrophobicContact CG-CB 3.78Å; Y169-M175 HydrophobicContact CG-CG 3.96Å; Y169-Q178 HydrophobicContact CE1-CB 4.41Å; Y169-I179 HydrophobicContact CE1-CB 4.42Å; Y169-I179 HydrophobicContact CE2-CD1 4.26Å; Y169-I179 WeakPolarHBondContact OH-CG1 3.45Å | ||
| 170 | P | 98.6 | Very high | 98.6 | Very high | 91 Ų | 91 | 48.9 Ų | 48.9 | 59% | 0.591 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -64.3 | -19.1 | -177.2 | -25.5 | 35.9 | 0 | 0 | 0 | 114.9 | T166 | T166-P170 WeakPolarHBondContact O-CA 3.4Š|
| 171 | T | 98.8 | Very high | 98.6 | Very high | 67 Ų | 67 | 48 Ų | 48 | 41% | 0.411 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -141.8 | 157 | -178.9 | 63.7 | 0 | 0 | 0 | 0 | 111.8 | Y169 K173 S174 M175 | Y169-T171 PolarHBondContact O-N 2.82Å; Y169-T171 VanDerWaalsContact O-N 3.14Å; T171-K173 VanDerWaalsContact C-N 3.31Å; T171-K173 PolarHBondContact O-N 2.83Å; T171-S174 PolarHBondContact N-OG 3.09Å; T171-S174 PolarHBondContact O-N 2.82Å; T171-S174 VanDerWaalsContact O-N 3.09Å; T171-S174 PolarHBondContact O-OG 3.32Å; T171-S174 VanDerWaalsContact OG1-CB 3.32Å; T171-S174 WeakPolarHBondContact OG1-CB 3.27Å; T171-S174 PolarHBondContact OG1-N 3.11Å; T171-S174 VanDerWaalsContact OG1-N 3.09Å; T171-S174 PolarHBondContact OG1-OG 2.91Å; T171-M175 PolarHBondContact O-N 2.87Å; T171-M175 VanDerWaalsContact O-N 3.13Å |
| 172 | P | 98.8 | Very high | 98.6 | Very high | 25 Ų | 25 | 44.7 Ų | 44.7 | 16% | 0.162 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -52.8 | -47.4 | 171.9 | -28 | 35.1 | 0 | 0 | 0 | 112.9 | C126 E127 W130 S174 M175 C176 | C126-P172 VanDerWaalsContact SG-C 3.5Å; C126-P172 PolarHBondContact SG-O 2.91Å; E127-P172 HydrophobicContact CB-CB 4.5Å; E127-P172 HydrophobicContact CB-CG 4.42Å; E127-P172 HydrophobicContact CG-CB 4Å; E127-P172 HydrophobicContact CG-CG 4.01Å; W130-P172 HydrophobicContact CB-CB 3.9Å; W130-P172 HydrophobicContact CB-CG 3.95Å; W130-P172 HydrophobicContact CD2-CG 3.88Å; W130-P172 HydrophobicContact CE3-CG 3.98Å; W130-P172 HydrophobicContact CG-CB 4.16Å; W130-P172 HydrophobicContact CG-CG 3.88Å; P172-S174 VanDerWaalsContact C-N 3.32Å; P172-S174 PolarHBondContact O-N 3.09Å; P172-M175 WeakPolarHBondContact O-CB 3.49Å; P172-M175 PolarHBondContact O-N 2.99Å; P172-C176 PolarHBondContact O-N 3.35Å; P172-C176 PolarHBondContact O-SG 3.48Å |
| 173 | K | 98.8 | Very high | 98.6 | Very high | 104 Ų | 104 | 41.9 Ų | 41.9 | 45% | 0.452 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -51.7 | -50.6 | 174.8 | 175.1 | 171.7 | -175.4 | -178.6 | 0 | 111.9 | T171 M175 C176 E177 Y186 | T171-K173 VanDerWaalsContact C-N 3.31Å; T171-K173 PolarHBondContact O-N 2.83Å; K173-M175 PolarHBondContact O-N 3.46Å; K173-C176 PolarHBondContact O-N 3.29Å; K173-E177 VanDerWaalsContact CE-CD 3.42Å; K173-E177 WeakPolarHBondContact CE-OE1 3.34Å; K173-E177 WeakPolarHBondContact CE-OE2 3.11Å; K173-E177 HydrophobicContact CG-CG 4.35Å; K173-E177 WeakPolarHBondContact O-CB 3.33Å; K173-E177 WeakPolarHBondContact O-CG 3.37Å; K173-E177 PolarHBondContact O-N 3.03Å; K173-E177 VanDerWaalsContact O-N 3.11Å; K173-Y186 HydrophobicContact CB-CD1 3.83Å; K173-Y186 HydrophobicContact CB-CD2 4.4Å; K173-Y186 HydrophobicContact CB-CE1 4.44Å; K173-Y186 HydrophobicContact CB-CG 3.79Å; K173-Y186 HydrophobicContact CD-CD1 4.06Å; K173-Y186 HydrophobicContact CG-CD1 4.04Å; K173-Y186 HydrophobicContact CG-CG 4.09Å |
| 174 | S | 98.4 | Very high | 98.6 | Very high | 15 Ų | 15 | 36.8 Ų | 36.8 | 11% | 0.105 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.4 | -32.2 | -179.2 | 69.9 | 0 | 0 | 0 | 0 | 112.6 | T171 P172 Q178 | T171-S174 PolarHBondContact N-OG 3.09Å; T171-S174 PolarHBondContact O-N 2.82Å; T171-S174 VanDerWaalsContact O-N 3.09Å; T171-S174 PolarHBondContact O-OG 3.32Å; T171-S174 VanDerWaalsContact OG1-CB 3.32Å; T171-S174 WeakPolarHBondContact OG1-CB 3.27Å; T171-S174 PolarHBondContact OG1-N 3.11Å; T171-S174 VanDerWaalsContact OG1-N 3.09Å; T171-S174 PolarHBondContact OG1-OG 2.91Å; P172-S174 VanDerWaalsContact C-N 3.32Å; P172-S174 PolarHBondContact O-N 3.09Å; S174-Q178 VanDerWaalsContact O-CB 3.25Å; S174-Q178 WeakPolarHBondContact O-CB 2.94Å; S174-Q178 VanDerWaalsContact O-CG 3.3Å; S174-Q178 WeakPolarHBondContact O-CG 3.4Å; S174-Q178 PolarHBondContact O-N 3.15Å; S174-Q178 PolarHBondContact O-NE2 3.05Å |
| 175 | M | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -71.9 | -61 | 175.8 | -174.3 | -166.6 | 76.3 | 0 | 0 | 111.5 | W129 W130 W165 Y169 T171 P172 K173 E177 Q178 I179 | W129-M175 HydrophobicContact CB-CE 3.81Å; W129-M175 HydrophobicContact CD2-CE 3.5Å; W129-M175 VanDerWaalsContact CD2-CE 3.5Å; W129-M175 HydrophobicContact CE3-CE 3.95Å; W129-M175 HydrophobicContact CG-CE 3.42Å; W129-M175 VanDerWaalsContact CG-CE 3.42Å; W129-M175 HydrophobicContact CG-SD 4.45Å; W130-M175 HydrophobicContact CB-CE 3.85Å; W130-M175 HydrophobicContact CB-SD 3.91Å; W130-M175 HydrophobicContact CG-SD 4.32Å; W165-M175 HydrophobicContact CZ2-CG 4.08Å; W165-M175 HydrophobicContact CZ2-SD 3.71Å; W165-M175 PolarHBondContact NE1-SD 3.23Å; Y169-M175 VanDerWaalsContact CD1-CA 3.43Å; Y169-M175 HydrophobicContact CD1-CB 3.98Å; Y169-M175 HydrophobicContact CD1-CG 4.3Å; Y169-M175 HydrophobicContact CD2-CB 4.27Å; Y169-M175 HydrophobicContact CD2-CG 3.94Å; Y169-M175 HydrophobicContact CE2-CG 4.23Å; Y169-M175 HydrophobicContact CG-CB 3.78Å; Y169-M175 HydrophobicContact CG-CG 3.96Å; T171-M175 PolarHBondContact O-N 2.87Å; T171-M175 VanDerWaalsContact O-N 3.13Å; P172-M175 WeakPolarHBondContact O-CB 3.49Å; P172-M175 PolarHBondContact O-N 2.99Å; K173-M175 PolarHBondContact O-N 3.46Å; M175-E177 VanDerWaalsContact C-N 3.25Å; M175-E177 PolarHBondContact O-N 3.38Å; M175-Q178 PolarHBondContact O-N 2.81Å; M175-Q178 VanDerWaalsContact O-N 3.16Å; M175-I179 WeakPolarHBondContact O-CB 3.31Å; M175-I179 VanDerWaalsContact O-CG2 3.26Å; M175-I179 WeakPolarHBondContact O-CG2 3.01Å; M175-I179 PolarHBondContact O-N 3.37Å |
| 176 | C | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.7 | -35.7 | -171.9 | -58.6 | 0 | 0 | 0 | 0 | 112.3 | L121 C126 P172 K173 | L121-C176 HydrophobicContact CD2-CB 4.43Å; C126-C176 WeakPolarHBondContact CA-SG 2.81Å; C126-C176 HydrophobicContact CB-CB 4.16Å; C126-C176 WeakPolarHBondContact CB-SG 3.04Å; C126-C176 WeakPolarHBondContact SG-CB 3.43Å; C126-C176 CovalentContact SG-SG 2.03Å; C126-C176 PolarHBondContact SG-SG 3.25Å; P172-C176 PolarHBondContact O-N 3.35Å; P172-C176 PolarHBondContact O-SG 3.48Å; K173-C176 PolarHBondContact O-N 3.29Å |
| 177 | E | 98.8 | Very high | 98.6 | Very high | 30 Ų | 30 | 38 Ų | 38 | 14% | 0.14 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -77.5 | -32.2 | 179.7 | -65.6 | -177.2 | 170 | 0 | 0 | 113.2 | K173 M175 N182 Y186 | K173-E177 VanDerWaalsContact CE-CD 3.42Å; K173-E177 WeakPolarHBondContact CE-OE1 3.34Å; K173-E177 WeakPolarHBondContact CE-OE2 3.11Å; K173-E177 HydrophobicContact CG-CG 4.35Å; K173-E177 WeakPolarHBondContact O-CB 3.33Å; K173-E177 WeakPolarHBondContact O-CG 3.37Å; K173-E177 PolarHBondContact O-N 3.03Å; K173-E177 VanDerWaalsContact O-N 3.11Å; M175-E177 VanDerWaalsContact C-N 3.25Å; M175-E177 PolarHBondContact O-N 3.38Å; E177-N182 WeakPolarHBondContact O-CA 3.48Å; E177-N182 PolarHBondContact O-N 2.92Å; E177-Y186 PolarHBondContact OE1-N 3.46Å; E177-Y186 VanDerWaalsContact OE1-N 3.13Å |
| 178 | Q | 98.7 | Very high | 98.6 | Very high | 86 Ų | 86 | 38.8 Ų | 38.8 | 40% | 0.402 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -100.6 | -33.2 | -170.6 | -63.3 | 176.2 | 83 | 0 | 0 | 114.2 | T141 Y169 S174 M175 W180 S181 | T141-Q178 HydrophobicContact CG2-CB 3.86Å; T141-Q178 HydrophobicContact CG2-CG 4.42Å; T141-Q178 CarbonylContact O-C 3.57Å; Y169-Q178 HydrophobicContact CE1-CB 4.41Å; S174-Q178 VanDerWaalsContact O-CB 3.25Å; S174-Q178 WeakPolarHBondContact O-CB 2.94Å; S174-Q178 VanDerWaalsContact O-CG 3.3Å; S174-Q178 WeakPolarHBondContact O-CG 3.4Å; S174-Q178 PolarHBondContact O-N 3.15Å; S174-Q178 PolarHBondContact O-NE2 3.05Å; M175-Q178 PolarHBondContact O-N 2.81Å; M175-Q178 VanDerWaalsContact O-N 3.16Å; Q178-W180 PolarHBondContact O-N 2.98Å; Q178-W180 VanDerWaalsContact O-N 3.14Å; Q178-S181 PolarHBondContact O-N 3.34Å |
| 179 | I | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -40.2 | -171.2 | -166.7 | 160 | 0 | 0 | 0 | 112 | F87 W129 T141 W143 W165 Y169 M175 | F87-I179 HydrophobicContact CE1-CD1 3.74Å; F87-I179 HydrophobicContact CZ-CD1 3.55Å; W129-I179 HydrophobicContact CH2-CG2 4.44Å; T141-I179 WeakPolarHBondContact O-CA 3.26Å; W143-I179 WeakPolarHBondContact CA-O 3.35Å; W143-I179 HydrophobicContact CB-CG1 4.12Å; W143-I179 WeakPolarHBondContact CB-O 3.42Å; W143-I179 HydrophobicContact CD2-CD1 3.92Å; W143-I179 HydrophobicContact CD2-CG1 3.82Å; W143-I179 HydrophobicContact CE3-CD1 4.05Å; W143-I179 HydrophobicContact CE3-CG1 4.21Å; W143-I179 HydrophobicContact CG-CD1 4.38Å; W143-I179 HydrophobicContact CG-CG1 3.77Å; W143-I179 HydrophobicContact CH2-CD1 4.34Å; W143-I179 HydrophobicContact CZ2-CD1 4.23Å; W143-I179 HydrophobicContact CZ3-CD1 4.26Å; W143-I179 PolarHBondContact N-O 3.17Å; W165-I179 HydrophobicContact CH2-CD1 3.97Å; W165-I179 HydrophobicContact CZ2-CD1 3.99Å; Y169-I179 HydrophobicContact CE1-CB 4.42Å; Y169-I179 HydrophobicContact CE2-CD1 4.26Å; Y169-I179 WeakPolarHBondContact OH-CG1 3.45Å; M175-I179 WeakPolarHBondContact O-CB 3.31Å; M175-I179 VanDerWaalsContact O-CG2 3.26Å; M175-I179 WeakPolarHBondContact O-CG2 3.01Å; M175-I179 PolarHBondContact O-N 3.37Å |
| 180 | W | 98.6 | Very high | 98.6 | Very high | 27 Ų | 27 | 43.4 Ų | 43.4 | 10% | 0.102 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | 38.9 | 177.4 | -60.2 | 132.9 | 0 | 0 | 0 | 112.8 | F71 W73 F87 D90 R115 W129 W143 H144 Q178 N182 S183 | F71-W180 HydrophobicContact CE2-CH2 4.28Å; F71-W180 HydrophobicContact CE2-CZ3 4.49Å; F71-W180 HydrophobicContact CZ-CH2 4.24Å; W73-W180 HydrophobicContact CH2-CH2 4.35Å; W73-W180 HydrophobicContact CH2-CZ2 4.17Å; W73-W180 HydrophobicContact CZ3-CH2 4.25Å; W73-W180 HydrophobicContact CZ3-CZ2 4.1Å; F87-W180 HydrophobicContact CD1-CZ2 4.13Å; F87-W180 HydrophobicContact CE1-CZ2 4.01Å; D90-W180 PolarHBondContact OD2-NE1 2.78Å; R115-W180 PolarHBondContact NH2-O 2.65Å; R115-W180 VanDerWaalsContact NH2-O 3.11Å; W129-W180 AromaticContact CH2-NE1 3.91Å; W143-W180 HydrophobicContact CB-CE3 3.96Å; W143-W180 HydrophobicContact CB-CH2 3.99Å; W143-W180 HydrophobicContact CB-CZ3 3.53Å; W143-W180 HydrophobicContact CE3-CH2 4.08Å; W143-W180 HydrophobicContact CE3-CZ2 4.34Å; H144-W180 AromaticContact CD2-CE3 3.72Å; H144-W180 VanDerWaalsContact CE1-C 3.47Å; H144-W180 PolarHBondContact CE1-O 3.03Å; H144-W180 VanDerWaalsContact ND1-C 3.27Å; H144-W180 PolarHBondContact ND1-O 2.99Å; H144-W180 AromaticContact NE2-CE3 3.88Å; Q178-W180 PolarHBondContact O-N 2.98Å; Q178-W180 VanDerWaalsContact O-N 3.14Å; W180-N182 PolarHBondContact O-N 3.43Å; W180-S183 WeakPolarHBondContact O-CB 3.48Å; W180-S183 PolarHBondContact O-N 2.97Å; W180-S183 PolarHBondContact O-OG 2.99Å |
| 181 | S | 97.4 | Very high | 98.5 | Very high | 24 Ų | 24 | 42 Ų | 42 | 17% | 0.168 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 42.7 | 62.5 | 176 | -12.1 | 0 | 0 | 0 | 0 | 112.7 | R115 N142 H144 Q178 S183 | R115-S181 PolarHBondContact NH2-O 2.96Å; N142-S181 VanDerWaalsContact CG-OG 3.3Å; N142-S181 PolarHBondContact ND2-OG 3.46Å; N142-S181 VanDerWaalsContact ND2-OG 3.11Å; N142-S181 PolarHBondContact OD1-OG 3.12Å; H144-S181 WeakPolarHBondContact CB-OG 3.24Å; H144-S181 PolarHBondContact ND1-OG 3.22Å; Q178-S181 PolarHBondContact O-N 3.34Å; S181-S183 VanDerWaalsContact C-N 3.27Å; S181-S183 PolarHBondContact O-N 3.22Å |
| 182 | N | 98.1 | Very high | 98.4 | Very high | 79 Ų | 79 | 45.6 Ų | 45.6 | 42% | 0.422 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 24.7 | 177.8 | -56.1 | 87.6 | 0 | 0 | 0 | 115.3 | L117 N118 E177 W180 Y184 | L117-N182 WeakPolarHBondContact CA-O 3.43Å; L117-N182 HydrophobicContact CD2-CB 4.49Å; N118-N182 PolarHBondContact N-O 3.25Å; E177-N182 WeakPolarHBondContact O-CA 3.48Å; E177-N182 PolarHBondContact O-N 2.92Å; W180-N182 PolarHBondContact O-N 3.43Å; N182-Y184 PolarHBondContact O-N 3.13Å |
| 183 | S | 98.7 | Very high | 98.3 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 4% | 0.035 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -60 | -37.1 | 167.8 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | R115 N118 V119 W180 S181 | R115-S183 PolarHBondContact NH2-OG 3.4Å; R115-S183 VanDerWaalsContact NH2-OG 3.11Å; N118-S183 PolarHBondContact N-O 2.73Å; V119-S183 PolarHBondContact N-O 2.89Å; W180-S183 WeakPolarHBondContact O-CB 3.48Å; W180-S183 PolarHBondContact O-N 2.97Å; W180-S183 PolarHBondContact O-OG 2.99Å; S181-S183 VanDerWaalsContact C-N 3.27Å; S181-S183 PolarHBondContact O-N 3.22Å |
| 184 | Y | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.008 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 151.8 | 175.2 | -57.3 | -64.8 | 0 | 0 | 0 | 112.6 | D90 F93 I116 V119 L121 W129 N182 L199 | D90-Y184 WeakPolarHBondContact OD1-CE2 3.38Å; D90-Y184 VanDerWaalsContact OD1-CZ 3.25Å; D90-Y184 PolarHBondContact OD1-OH 3.18Å; F93-Y184 HydrophobicContact CD1-CE1 4.17Å; F93-Y184 WeakPolarHBondContact CD1-OH 3.37Å; F93-Y184 AromaticContact CE1-CE1 3.82Å; F93-Y184 HydrophobicContact CE1-CE1 3.82Å; I116-Y184 HydrophobicContact CD1-CE1 4.09Å; V119-Y184 HydrophobicContact CB-CD1 3.82Å; V119-Y184 HydrophobicContact CB-CE1 4.21Å; V119-Y184 HydrophobicContact CG1-CD1 4.09Å; V119-Y184 HydrophobicContact CG1-CE1 4.24Å; V119-Y184 WeakPolarHBondContact O-CA 3.5Å; L121-Y184 HydrophobicContact CB-CD1 4.43Å; L121-Y184 HydrophobicContact CD1-CD1 4.33Å; L121-Y184 HydrophobicContact CD1-CE1 4.47Å; L121-Y184 HydrophobicContact CD2-CG 4.44Å; W129-Y184 HydrophobicContact CZ3-CE2 4.39Å; N182-Y184 PolarHBondContact O-N 3.13Å; Y184-L199 HydrophobicContact CE1-CD2 4.1Å |
| 185 | L | 98.8 | Very high | 98.2 | Very high | 73 Ų | 73 | 47.9 Ų | 47.9 | 38% | 0.382 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 125.4 | 167.1 | 177.6 | 69.7 | 0 | 0 | 0 | 107.7 | N118 V119 L121 | N118-L185 HydrophobicContact CB-CB 4.19Å; V119-L185 PolarHBondContact O-N 2.04Å; L121-L185 PolarHBondContact N-O 3.32Å |
| 186 | Y | 98.6 | Very high | 98.2 | Very high | 48 Ų | 48 | 47.9 Ų | 47.9 | 19% | 0.188 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 138.2 | 176 | 170.9 | -98.1 | 0 | 0 | 0 | 110.7 | C126 E127 K173 E177 T188 | C126-Y186 HydrophobicContact CB-CD2 3.84Å; C126-Y186 HydrophobicContact CB-CE2 4.21Å; C126-Y186 VanDerWaalsContact SG-CD2 3.56Å; E127-Y186 HydrophobicContact CG-CE2 4.32Å; E127-Y186 PolarHBondContact OE1-OH 3.06Å; K173-Y186 HydrophobicContact CB-CD1 3.83Å; K173-Y186 HydrophobicContact CB-CD2 4.4Å; K173-Y186 HydrophobicContact CB-CE1 4.44Å; K173-Y186 HydrophobicContact CB-CG 3.79Å; K173-Y186 HydrophobicContact CD-CD1 4.06Å; K173-Y186 HydrophobicContact CG-CD1 4.04Å; K173-Y186 HydrophobicContact CG-CG 4.09Å; E177-Y186 PolarHBondContact OE1-N 3.46Å; E177-Y186 VanDerWaalsContact OE1-N 3.13Å; Y186-T188 HydrophobicContact CE1-CG2 4.27Å |
| 187 | T | 98.4 | Very high | 98.2 | Very high | 16 Ų | 16 | 47.9 Ų | 47.9 | 10% | 0.098 | 25% | 0.253 | C | S | . | . | trans | -124.9 | 157.8 | 174.5 | 77.8 | 0 | 0 | 0 | 0 | 111.7 | P120 L121 K123 L189 | P120-T187 HydrophobicContact CB-CG2 3.61Å; L121-T187 WeakPolarHBondContact O-CB 3.25Å; L121-T187 PolarHBondContact O-N 2.71Å; L121-T187 PolarHBondContact O-OG1 3.33Å; K123-T187 WeakPolarHBondContact CA-O 3.43Å; T187-L189 VanDerWaalsContact C-N 3.26Å; T187-L189 PolarHBondContact OG1-N 3.33Å | ||
| 188 | T | 98.2 | Very high | 98.2 | Very high | 114 Ų | 114 | 47.5 Ų | 47.5 | 70% | 0.699 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -89.6 | 6.7 | 168.7 | 55.7 | 0 | 0 | 0 | 0 | 112.5 | Y186 | Y186-T188 HydrophobicContact CE1-CG2 4.27Š|
| 189 | L | 98.6 | Very high | 98.2 | Very high | 51 Ų | 51 | 43.4 Ų | 43.4 | 27% | 0.267 | 23% | 0.232 | S | C | . | . | trans | -80.3 | 135.7 | -178 | -63.3 | 167.1 | 0 | 0 | 0 | 109.5 | K123 T187 R195 C196 | K123-L189 WeakPolarHBondContact CB-O 3.41Å; K123-L189 PolarHBondContact N-O 2.88Å; T187-L189 VanDerWaalsContact C-N 3.26Å; T187-L189 PolarHBondContact OG1-N 3.33Å; L189-R195 HydrophobicContact CD1-CB 3.69Å; L189-R195 WeakPolarHBondContact CD1-O 3.49Å; L189-C196 HydrophobicContact CB-CB 4.03Å; L189-C196 HydrophobicContact CD1-CB 4.4Å; L189-C196 PolarHBondContact O-SG 3.19Å | ||
| 190 | T | 98.3 | Very high | 98.2 | Very high | 54 Ų | 54 | 47.6 Ų | 47.6 | 33% | 0.331 | 25% | 0.248 | S | C | . | . | trans | -81.6 | 157 | 178.4 | 52.7 | 0 | 0 | 0 | 0 | 111 | E124 D192 S193 C196 | E124-T190 WeakPolarHBondContact OE1-CA 3.29Å; E124-T190 WeakPolarHBondContact OE1-CB 3.16Å; E124-T190 VanDerWaalsContact OE1-CG2 3.26Å; E124-T190 WeakPolarHBondContact OE1-CG2 3.05Å; E124-T190 WeakPolarHBondContact OE2-CA 3.49Å; T190-D192 WeakPolarHBondContact CB-OD1 3.21Å; T190-D192 PolarHBondContact O-N 2.97Å; T190-D192 VanDerWaalsContact O-N 3.12Å; T190-D192 PolarHBondContact OG1-OD1 2.54Å; T190-S193 WeakPolarHBondContact O-CB 3.32Å; T190-S193 PolarHBondContact O-N 3.12Å; T190-S193 PolarHBondContact O-OG 3.48Å; T190-C196 PolarHBondContact O-SG 3.37Å | ||
| 191 | K | 97.8 | Very high | 98.1 | Very high | 63 Ų | 63 | 46.8 Ų | 46.8 | 27% | 0.274 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -50.1 | -35.8 | 179.1 | -74.2 | -168.1 | 165 | -164 | 0 | 114.7 | C122 E124 D125 S193 Q198 W200 | C122-K191 HydrophobicContact CB-CG 4.01Å; E124-K191 HydrophobicContact CB-CD 4.4Å; E124-K191 HydrophobicContact CB-CG 4.31Å; E124-K191 PolarHBondContact OE2-N 3.46Å; D125-K191 VanDerWaalsContact OD1-CE 3.24Å; D125-K191 WeakPolarHBondContact OD1-CE 3.39Å; D125-K191 IonicContact OD1-NZ 2.78Å; D125-K191 PolarHBondContact OD1-NZ 2.74Å; D125-K191 WeakPolarHBondContact OD2-CE 3.03Å; D125-K191 IonicContact OD2-NZ 3.38Å; D125-K191 PolarHBondContact OD2-NZ 3.41Å; K191-S193 VanDerWaalsContact C-N 3.31Å; K191-S193 PolarHBondContact O-N 2.71Å; K191-Q198 HydrophobicContact CB-CG 4.37Å; K191-Q198 HydrophobicContact CD-CG 4.32Å; K191-Q198 HydrophobicContact CG-CG 4.01Å; K191-Q198 PolarHBondContact O-NE2 2.99Å; K191-W200 PolarHBondContact NZ-O 3.33Å |
| 192 | D | 96.1 | Very high | 98 | Very high | 142 Ų | 142 | 51 Ų | 51 | 76% | 0.759 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -80 | -7.8 | -178.5 | 66.7 | -30.4 | 0 | 0 | 0 | 114.2 | T190 G194 | T190-D192 WeakPolarHBondContact CB-OD1 3.21Å; T190-D192 PolarHBondContact O-N 2.97Å; T190-D192 VanDerWaalsContact O-N 3.12Å; T190-D192 PolarHBondContact OG1-OD1 2.54Å; D192-G194 PolarHBondContact O-N 2.9Å |
| 193 | S | 97.4 | Very high | 97.8 | Very high | 38 Ų | 38 | 50.5 Ų | 50.5 | 27% | 0.266 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -64.6 | -24.2 | -177.8 | 67.5 | 0 | 0 | 0 | 0 | 114.2 | T190 K191 R195 | T190-S193 WeakPolarHBondContact O-CB 3.32Å; T190-S193 PolarHBondContact O-N 3.12Å; T190-S193 PolarHBondContact O-OG 3.48Å; K191-S193 VanDerWaalsContact C-N 3.31Å; K191-S193 PolarHBondContact O-N 2.71Å; S193-R195 PolarHBondContact O-N 3.22Å; S193-R195 PolarHBondContact OG-N 3.3Å; S193-R195 VanDerWaalsContact OG-N 3.17Å |
| 194 | G | 96.8 | Very high | 97.7 | Very high | 29 Ų | 29 | 55.8 Ų | 55.8 | 30% | 0.299 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 65.2 | 19.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D192 | D192-G194 PolarHBondContact O-N 2.9Š|
| 195 | R | 98.1 | Very high | 97.7 | Very high | 124 Ų | 124 | 57.6 Ų | 57.6 | 47% | 0.468 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -128.4 | 5.6 | -174.2 | -66.2 | 179.2 | -171.2 | 177.8 | 2.6 | 114.1 | L189 S193 Y213 Y214 | L189-R195 HydrophobicContact CD1-CB 3.69Å; L189-R195 WeakPolarHBondContact CD1-O 3.49Å; S193-R195 PolarHBondContact O-N 3.22Å; S193-R195 PolarHBondContact OG-N 3.3Å; S193-R195 VanDerWaalsContact OG-N 3.17Å; R195-Y213 HydrophobicContact CG-CD1 4.35Å; R195-Y213 HydrophobicContact CG-CE1 4.21Å; R195-Y214 VanDerWaalsContact O-CE2 3.31Å; R195-Y214 WeakPolarHBondContact O-CE2 3.31Å; R195-Y214 PolarHBondContact O-OH 3.35Å |
| 196 | C | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.007 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -139.4 | 149.7 | 175.3 | 56.9 | 0 | 0 | 0 | 0 | 109.2 | P120 C122 L189 T190 V210 | P120-C196 CarbonylContact O-C 3.46Å; P120-C196 VanDerWaalsContact O-CA 3.29Å; P120-C196 WeakPolarHBondContact O-CA 3.4Å; P120-C196 WeakPolarHBondContact O-CB 3.27Å; C122-C196 WeakPolarHBondContact CA-SG 3.16Å; C122-C196 HydrophobicContact CB-CB 3.92Å; C122-C196 WeakPolarHBondContact CB-SG 3.1Å; C122-C196 WeakPolarHBondContact SG-CB 3.47Å; C122-C196 PolarHBondContact SG-O 3.27Å; C122-C196 CovalentContact SG-SG 2.04Å; C122-C196 PolarHBondContact SG-SG 3.48Å; L189-C196 HydrophobicContact CB-CB 4.03Å; L189-C196 HydrophobicContact CD1-CB 4.4Å; L189-C196 PolarHBondContact O-SG 3.19Å; T190-C196 PolarHBondContact O-SG 3.37Å; C196-V210 WeakPolarHBondContact O-CG2 3.34Å |
| 197 | M | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -78.7 | 138 | 177.7 | -64.3 | -55.4 | -127.2 | 0 | 0 | 110.7 | F93 H99 L100 W103 V119 P120 L121 C122 N207 V210 | F93-M197 HydrophobicContact CE2-CB 4.17Å; F93-M197 HydrophobicContact CZ-CB 3.82Å; F93-M197 HydrophobicContact CZ-CG 4.18Å; H99-M197 HydrophobicContact CB-CE 4.28Å; H99-M197 WeakPolarHBondContact O-CE 3.37Å; L100-M197 HydrophobicContact CD2-CE 4.29Å; W103-M197 HydrophobicContact CE3-CE 4.09Å; W103-M197 HydrophobicContact CH2-CE 3.84Å; W103-M197 HydrophobicContact CH2-CG 4.18Å; W103-M197 HydrophobicContact CH2-SD 4.12Å; W103-M197 HydrophobicContact CZ3-CE 3.26Å; W103-M197 HydrophobicContact CZ3-CG 4.27Å; W103-M197 HydrophobicContact CZ3-SD 4.14Å; V119-M197 HydrophobicContact CG1-CB 3.83Å; V119-M197 HydrophobicContact CG1-CG 3.57Å; P120-M197 PolarHBondContact O-N 2.73Å; L121-M197 WeakPolarHBondContact CD1-O 3.49Å; C122-M197 PolarHBondContact N-O 3.3Å; C122-M197 PolarHBondContact SG-O 3.3Å; M197-N207 WeakPolarHBondContact CA-OD1 3.19Å; M197-N207 HydrophobicContact CE-CB 4.01Å; M197-N207 HydrophobicContact SD-CB 3.65Å; M197-V210 HydrophobicContact CG-CG1 4.24Å; M197-V210 HydrophobicContact SD-CB 3.66Å; M197-V210 HydrophobicContact SD-CG1 3.55Å; M197-V210 VanDerWaalsContact SD-CG1 3.55Å; M197-V210 HydrophobicContact SD-CG2 4.32Å |
| 198 | Q | 98.8 | Very high | 97.6 | Very high | 22 Ų | 22 | 57.5 Ų | 57.5 | 10% | 0.103 | 33% | 0.331 | C | S | . | . | trans | -102 | 128 | 174 | -54.7 | -176.2 | 30.5 | 0 | 0 | 108.9 | F93 D125 K191 W200 P206 N207 | F93-Q198 WeakPolarHBondContact CD2-O 3.32Å; D125-Q198 WeakPolarHBondContact OD2-CA 3.21Å; K191-Q198 HydrophobicContact CB-CG 4.37Å; K191-Q198 HydrophobicContact CD-CG 4.32Å; K191-Q198 HydrophobicContact CG-CG 4.01Å; K191-Q198 PolarHBondContact O-NE2 2.99Å; Q198-W200 PolarHBondContact O-N 3.23Å; Q198-P206 HydrophobicContact CB-CG 4.44Å; Q198-P206 HydrophobicContact CG-CG 4.25Å; Q198-N207 PolarHBondContact N-OD1 3.39Å; Q198-N207 PolarHBondContact O-ND2 3.34Å | ||
| 199 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -66.6 | -30.5 | 174.8 | -66.7 | -179.4 | 0 | 0 | 0 | 111 | W47 D90 F93 L121 D125 W129 Y184 | W47-L199 WeakPolarHBondContact CH2-O 3.02Å; W47-L199 WeakPolarHBondContact CZ2-O 3.4Å; D90-L199 HydrophobicContact CB-CD1 4.47Å; F93-L199 HydrophobicContact CB-CD2 3.86Å; F93-L199 HydrophobicContact CD1-CD2 3.49Å; F93-L199 VanDerWaalsContact CD1-CD2 3.49Å; F93-L199 HydrophobicContact CD2-CD2 4.33Å; F93-L199 HydrophobicContact CE1-CD2 4.08Å; F93-L199 HydrophobicContact CG-CD2 3.63Å; L121-L199 HydrophobicContact CD1-CD1 4.2Å; L121-L199 HydrophobicContact CD1-CD2 3.69Å; L121-L199 HydrophobicContact CD1-CG 3.54Å; L121-L199 HydrophobicContact CD2-CD1 4.17Å; L121-L199 HydrophobicContact CD2-CG 4.41Å; D125-L199 HydrophobicContact CB-CG 4.38Å; D125-L199 PolarHBondContact OD1-N 2.82Å; W129-L199 HydrophobicContact CE3-CD1 3.88Å; W129-L199 HydrophobicContact CZ3-CD1 3.93Å; Y184-L199 HydrophobicContact CE1-CD2 4.1Å |
| 200 | W | 98.1 | Very high | 97.5 | Very high | 88 Ų | 88 | 57 Ų | 57 | 33% | 0.333 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -147.9 | 143.9 | -179.2 | -169.4 | 88.8 | 0 | 0 | 0 | 112.1 | Q89 K191 Q198 T202 | Q89-W200 HydrophobicContact CB-CB 4.32Å; Q89-W200 HydrophobicContact CG-CB 4.03Å; Q89-W200 HydrophobicContact CG-CG 4.11Å; Q89-W200 VanDerWaalsContact OE1-CB 3.29Å; K191-W200 PolarHBondContact NZ-O 3.33Å; Q198-W200 PolarHBondContact O-N 3.23Å; W200-T202 HydrophobicContact CH2-CG2 3.37Å; W200-T202 HydrophobicContact CZ2-CG2 4.2Å; W200-T202 HydrophobicContact CZ3-CG2 3.7Å |
| 201 | F | 97.9 | Very high | 97.4 | Very high | 9 Ų | 9 | 54.4 Ų | 54.4 | 4% | 0.039 | 30% | 0.301 | C | S | . | . | trans | -150.7 | 162.9 | -175 | 59.2 | -90.9 | 0 | 0 | 0 | 111.7 | P46 W47 N205 P206 | P46-F201 HydrophobicContact CB-CD2 4.04Å; P46-F201 HydrophobicContact CB-CE1 4.07Å; P46-F201 HydrophobicContact CB-CE2 3.52Å; P46-F201 HydrophobicContact CB-CG 4.5Å; P46-F201 HydrophobicContact CB-CZ 3.54Å; P46-F201 WeakPolarHBondContact CG-O 2.99Å; W47-F201 AromaticContact CE2-CE1 3.96Å; W47-F201 HydrophobicContact CZ2-CE1 4.07Å; F201-N205 HydrophobicContact CE1-CB 4.37Å; F201-N205 VanDerWaalsContact CE2-CA 3.44Å; F201-N205 HydrophobicContact CE2-CB 3.76Å; F201-N205 HydrophobicContact CZ-CB 3.62Å; F201-N205 VanDerWaalsContact CZ-CG 3.45Å; F201-P206 HydrophobicContact CB-CG 3.96Å; F201-P206 HydrophobicContact CD1-CG 4.33Å; F201-P206 HydrophobicContact CG-CG 4.11Å | ||
| 202 | T | 95.1 | Very high | 97.3 | Very high | 112 Ų | 112 | 54.6 Ų | 54.6 | 69% | 0.687 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -115.1 | 147.7 | 169.1 | 58.1 | 0 | 0 | 0 | 0 | 111 | W200 | W200-T202 HydrophobicContact CH2-CG2 3.37Å; W200-T202 HydrophobicContact CZ2-CG2 4.2Å; W200-T202 HydrophobicContact CZ3-CG2 3.7Å |
| 203 | G | 94.3 | Very high | 97.3 | Very high | 70 Ų | 70 | 52.2 Ų | 52.2 | 72% | 0.722 | 28% | 0.283 | S | S | * | . | S | Bend | trans | 77 | -142.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 204 | S | 95.6 | Very high | 97.2 | Very high | 116 Ų | 116 | 53.5 Ų | 53.5 | 81% | 0.811 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -67.9 | 139.5 | -177.6 | -57.2 | 0 | 0 | 0 | 0 | 112 | P206 | S204-P206 VanDerWaalsContact O-CD 3.27Å; S204-P206 WeakPolarHBondContact O-CD 3.36Å; S204-P206 VanDerWaalsContact O-N 3.17Å |
| 205 | N | 97.9 | Very high | 97 | Very high | 40 Ų | 40 | 52.6 Ų | 52.6 | 21% | 0.214 | 27% | 0.271 | C | S | . | . | trans | -61.8 | 113.2 | -179.3 | -172.3 | -21.5 | 0 | 0 | 0 | 112 | F201 N207 | F201-N205 HydrophobicContact CE1-CB 4.37Å; F201-N205 VanDerWaalsContact CE2-CA 3.44Å; F201-N205 HydrophobicContact CE2-CB 3.76Å; F201-N205 HydrophobicContact CZ-CB 3.62Å; F201-N205 VanDerWaalsContact CZ-CG 3.45Å; N205-N207 VanDerWaalsContact C-N 3.32Å; N205-N207 VanDerWaalsContact OD1-CB 3.25Å; N205-N207 WeakPolarHBondContact OD1-CB 3.38Å; N205-N207 PolarHBondContact OD1-N 2.97Å | ||
| 206 | P | 98.1 | Very high | 96.6 | Very high | 35 Ų | 35 | 50.6 Ų | 50.6 | 23% | 0.227 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -23.8 | -178.7 | 31.1 | -34.1 | 0 | 0 | 0 | 112.5 | Q198 F201 S204 K208 K209 | Q198-P206 HydrophobicContact CB-CG 4.44Å; Q198-P206 HydrophobicContact CG-CG 4.25Å; F201-P206 HydrophobicContact CB-CG 3.96Å; F201-P206 HydrophobicContact CD1-CG 4.33Å; F201-P206 HydrophobicContact CG-CG 4.11Å; S204-P206 VanDerWaalsContact O-CD 3.27Å; S204-P206 WeakPolarHBondContact O-CD 3.36Å; S204-P206 VanDerWaalsContact O-N 3.17Å; P206-K208 PolarHBondContact O-N 3.11Å; P206-K209 PolarHBondContact O-N 3.33Å |
| 207 | N | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.5 | -20.6 | -172.3 | -63.3 | -31.6 | 0 | 0 | 0 | 112.9 | H99 M197 Q198 N205 K209 V210 A211 | H99-N207 HydrophobicContact CB-CB 4.41Å; M197-N207 WeakPolarHBondContact CA-OD1 3.19Å; M197-N207 HydrophobicContact CE-CB 4.01Å; M197-N207 HydrophobicContact SD-CB 3.65Å; Q198-N207 PolarHBondContact N-OD1 3.39Å; Q198-N207 PolarHBondContact O-ND2 3.34Å; N205-N207 VanDerWaalsContact C-N 3.32Å; N205-N207 VanDerWaalsContact OD1-CB 3.25Å; N205-N207 WeakPolarHBondContact OD1-CB 3.38Å; N205-N207 PolarHBondContact OD1-N 2.97Å; N207-K209 PolarHBondContact O-N 3.43Å; N207-V210 WeakPolarHBondContact O-CB 3.26Å; N207-V210 PolarHBondContact O-N 2.99Å; N207-A211 PolarHBondContact O-N 3.21Å |
| 208 | K | 97.3 | Very high | 95 | Very high | 100 Ų | 100 | 56.6 Ų | 56.6 | 44% | 0.435 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -56.5 | -48.9 | 172.2 | -177.1 | 176.5 | 174.6 | 177.5 | 0 | 111.5 | P206 V210 A211 E212 | P206-K208 PolarHBondContact O-N 3.11Å; K208-V210 VanDerWaalsContact C-N 3.27Å; K208-V210 PolarHBondContact O-N 3.12Å; K208-A211 PolarHBondContact O-N 2.98Å; K208-E212 WeakPolarHBondContact CE-OE1 3.31Å; K208-E212 WeakPolarHBondContact O-CG 3.4Å; K208-E212 PolarHBondContact O-N 3.45Å |
| 209 | K | 96.6 | Very high | 93.4 | Very high | 151 Ų | 151 | 59 Ų | 59 | 66% | 0.657 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -65.4 | -34.1 | 179.8 | -70.2 | -177.5 | 177.2 | 178.2 | 0 | 112.1 | P206 N207 Y213 | P206-K209 PolarHBondContact O-N 3.33Å; N207-K209 PolarHBondContact O-N 3.43Å; K209-Y213 WeakPolarHBondContact O-CB 3.3Å; K209-Y213 PolarHBondContact O-N 3.17Å |
| 210 | V | 98.3 | Very high | 91.9 | Very high | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.012 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.6 | -49.8 | 177.4 | -175.7 | 0 | 0 | 0 | 0 | 109.4 | W103 C196 M197 N207 K208 E212 Y213 Y214 | W103-V210 HydrophobicContact CH2-CG1 4.24Å; C196-V210 WeakPolarHBondContact O-CG2 3.34Å; M197-V210 HydrophobicContact CG-CG1 4.24Å; M197-V210 HydrophobicContact SD-CB 3.66Å; M197-V210 HydrophobicContact SD-CG1 3.55Å; M197-V210 VanDerWaalsContact SD-CG1 3.55Å; M197-V210 HydrophobicContact SD-CG2 4.32Å; N207-V210 WeakPolarHBondContact O-CB 3.26Å; N207-V210 PolarHBondContact O-N 2.99Å; K208-V210 VanDerWaalsContact C-N 3.27Å; K208-V210 PolarHBondContact O-N 3.12Å; V210-E212 PolarHBondContact O-N 3.27Å; V210-Y213 WeakPolarHBondContact O-CB 3.44Å; V210-Y213 PolarHBondContact O-N 3.43Å; V210-Y213 VanDerWaalsContact O-N 3.12Å; V210-Y214 HydrophobicContact CG1-CD2 3.94Å; V210-Y214 HydrophobicContact CG1-CE2 3.87Å; V210-Y214 VanDerWaalsContact O-CD2 3.31Å; V210-Y214 WeakPolarHBondContact O-CD2 3.11Å; V210-Y214 PolarHBondContact O-N 3.22Å; V210-Y214 VanDerWaalsContact O-N 3.11Å |
| 211 | A | 97.6 | Very high | 90 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -58.4 | -46.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L21 H99 P102 N207 K208 Y213 Y214 L215 | L21-A211 HydrophobicContact CD1-CB 3.74Å; H99-A211 HydrophobicContact CB-CB 3.99Å; H99-A211 WeakPolarHBondContact O-CB 3.47Å; P102-A211 HydrophobicContact CG-CB 4.15Å; N207-A211 PolarHBondContact O-N 3.21Å; K208-A211 PolarHBondContact O-N 2.98Å; A211-Y213 VanDerWaalsContact C-N 3.29Å; A211-Y213 PolarHBondContact O-N 3.22Å; A211-Y214 PolarHBondContact O-N 3.46Å; A211-L215 WeakPolarHBondContact O-CB 3.47Å; A211-L215 VanDerWaalsContact O-CG 3.3Å; A211-L215 WeakPolarHBondContact O-CG 3.48Å; A211-L215 PolarHBondContact O-N 3Å |
| 212 | E | 95.5 | Very high | 87.9 | Confident | 67 Ų | 67 | 74.3 Ų | 74.3 | 31% | 0.313 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -54.9 | -43.7 | 173.9 | -73.5 | 169.4 | 178.8 | 0 | 0 | 112 | L21 K208 V210 N216 | L21-E212 HydrophobicContact CD1-CB 4.46Å; L21-E212 HydrophobicContact CD1-CG 3.57Å; L21-E212 HydrophobicContact CD2-CG 3.69Å; L21-E212 HydrophobicContact CG-CG 4.3Å; K208-E212 WeakPolarHBondContact CE-OE1 3.31Å; K208-E212 WeakPolarHBondContact O-CG 3.4Å; K208-E212 PolarHBondContact O-N 3.45Å; V210-E212 PolarHBondContact O-N 3.27Å; E212-N216 WeakPolarHBondContact O-CB 3.32Å; E212-N216 PolarHBondContact O-N 3.39Å; E212-N216 PolarHBondContact O-ND2 2.98Å |
| 213 | Y | 95.6 | Very high | 85.9 | Confident | 92 Ų | 92 | 72.8 Ų | 72.8 | 36% | 0.361 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.9 | -47.8 | 178.5 | 171.3 | -97.2 | 0 | 0 | 0 | 112.1 | R195 K209 V210 A211 N216 T217 | R195-Y213 HydrophobicContact CG-CD1 4.35Å; R195-Y213 HydrophobicContact CG-CE1 4.21Å; K209-Y213 WeakPolarHBondContact O-CB 3.3Å; K209-Y213 PolarHBondContact O-N 3.17Å; V210-Y213 WeakPolarHBondContact O-CB 3.44Å; V210-Y213 PolarHBondContact O-N 3.43Å; V210-Y213 VanDerWaalsContact O-N 3.12Å; A211-Y213 VanDerWaalsContact C-N 3.29Å; A211-Y213 PolarHBondContact O-N 3.22Å; Y213-N216 PolarHBondContact O-N 3.38Å; Y213-T217 WeakPolarHBondContact O-CB 3.41Å; Y213-T217 PolarHBondContact O-N 3.49Å; Y213-T217 PolarHBondContact O-OG1 2.76Å |
| 214 | Y | 95.2 | Very high | 83.7 | Confident | 65 Ų | 65 | 78.1 Ų | 78.1 | 26% | 0.255 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -70.7 | -37.2 | -177 | -80.7 | -82.4 | 0 | 0 | 0 | 112.9 | W103 P120 R195 V210 A211 T217 A218 | W103-Y214 AromaticContact CH2-CD2 3.71Å; W103-Y214 HydrophobicContact CH2-CD2 3.71Å; W103-Y214 HydrophobicContact CH2-CE2 4.39Å; W103-Y214 HydrophobicContact CH2-CG 4.1Å; W103-Y214 HydrophobicContact CZ2-CD1 4.15Å; W103-Y214 AromaticContact CZ2-CD2 3.41Å; W103-Y214 HydrophobicContact CZ2-CD2 3.41Å; W103-Y214 VanDerWaalsContact CZ2-CD2 3.41Å; W103-Y214 AromaticContact CZ2-CE2 3.89Å; W103-Y214 HydrophobicContact CZ2-CE2 3.89Å; W103-Y214 AromaticContact CZ2-CG 3.56Å; W103-Y214 HydrophobicContact CZ2-CG 3.56Å; P120-Y214 HydrophobicContact CG-CE2 3.74Å; R195-Y214 VanDerWaalsContact O-CE2 3.31Å; R195-Y214 WeakPolarHBondContact O-CE2 3.31Å; R195-Y214 PolarHBondContact O-OH 3.35Å; V210-Y214 HydrophobicContact CG1-CD2 3.94Å; V210-Y214 HydrophobicContact CG1-CE2 3.87Å; V210-Y214 VanDerWaalsContact O-CD2 3.31Å; V210-Y214 WeakPolarHBondContact O-CD2 3.11Å; V210-Y214 PolarHBondContact O-N 3.22Å; V210-Y214 VanDerWaalsContact O-N 3.11Å; A211-Y214 PolarHBondContact O-N 3.46Å; Y214-T217 PolarHBondContact O-N 3.04Å; Y214-A218 WeakPolarHBondContact O-CB 3.48Å; Y214-A218 PolarHBondContact O-N 2.79Å |
| 215 | L | 92.7 | Very high | 81.3 | Confident | 10 Ų | 10 | 76.3 Ų | 76.3 | 5% | 0.052 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.3 | -49 | 173 | -73.7 | 173 | 0 | 0 | 0 | 112 | Q20 L21 P102 A211 T217 A218 Q219 | Q20-L215 HydrophobicContact CB-CD1 4.44Å; Q20-L215 HydrophobicContact CB-CD2 3.8Å; L21-L215 HydrophobicContact CB-CD1 3.78Å; L21-L215 HydrophobicContact CD1-CD1 4.1Å; P102-L215 HydrophobicContact CB-CD2 4.28Å; P102-L215 HydrophobicContact CB-CG 4.49Å; P102-L215 HydrophobicContact CG-CD1 4.27Å; P102-L215 HydrophobicContact CG-CD2 3.88Å; P102-L215 HydrophobicContact CG-CG 3.75Å; A211-L215 WeakPolarHBondContact O-CB 3.47Å; A211-L215 VanDerWaalsContact O-CG 3.3Å; A211-L215 WeakPolarHBondContact O-CG 3.48Å; A211-L215 PolarHBondContact O-N 3Å; L215-T217 VanDerWaalsContact C-N 3.3Å; L215-T217 PolarHBondContact O-N 2.85Å; L215-A218 PolarHBondContact O-N 3.46Å; L215-Q219 WeakPolarHBondContact O-CG 3.41Å; L215-Q219 PolarHBondContact O-N 3.06Å; L215-Q219 VanDerWaalsContact O-N 3.13Å |
| 216 | N | 88.7 | Confident | 79 | Confident | 83 Ų | 83 | 80 Ų | 80 | 44% | 0.444 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.6 | -34.9 | 178.3 | -72.4 | -40.5 | 0 | 0 | 0 | 112.6 | E212 Y213 R220 | E212-N216 WeakPolarHBondContact O-CB 3.32Å; E212-N216 PolarHBondContact O-N 3.39Å; E212-N216 PolarHBondContact O-ND2 2.98Å; Y213-N216 PolarHBondContact O-N 3.38Å; N216-R220 PolarHBondContact O-N 3.23Å |
| 217 | T | 85.3 | Confident | 76.5 | Confident | 65 Ų | 65 | 82.8 Ų | 82.8 | 40% | 0.399 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -69.7 | -42.2 | 178.3 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | Y213 Y214 L215 Q219 R220 G221 | Y213-T217 WeakPolarHBondContact O-CB 3.41Å; Y213-T217 PolarHBondContact O-N 3.49Å; Y213-T217 PolarHBondContact O-OG1 2.76Å; Y214-T217 PolarHBondContact O-N 3.04Å; L215-T217 VanDerWaalsContact C-N 3.3Å; L215-T217 PolarHBondContact O-N 2.85Å; T217-Q219 VanDerWaalsContact C-N 3.31Å; T217-Q219 PolarHBondContact O-N 3.13Å; T217-R220 PolarHBondContact O-N 3.29Å; T217-G221 PolarHBondContact O-N 3.19Å |
| 218 | A | 78.6 | Confident | 74.1 | Confident | 62 Ų | 62 | 87 Ų | 87 | 51% | 0.512 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.3 | -42 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y214 L215 R220 G221 Q222 | Y214-A218 WeakPolarHBondContact O-CB 3.48Å; Y214-A218 PolarHBondContact O-N 2.79Å; L215-A218 PolarHBondContact O-N 3.46Å; A218-R220 PolarHBondContact O-N 3.08Å; A218-G221 PolarHBondContact O-N 3.37Å; A218-Q222 WeakPolarHBondContact O-CG 3.45Å; A218-Q222 PolarHBondContact O-N 3.26Å |
| 219 | Q | 66 | Low | 71.5 | Confident | 73 Ų | 73 | 88.7 Ų | 88.7 | 34% | 0.341 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 176.5 | -73.9 | -177.2 | -25.5 | 0 | 0 | 113.3 | C17 L215 T217 G221 Q222 S223 | C17-Q219 PolarHBondContact SG-NE2 3.47Å; L215-Q219 WeakPolarHBondContact O-CG 3.41Å; L215-Q219 PolarHBondContact O-N 3.06Å; L215-Q219 VanDerWaalsContact O-N 3.13Å; T217-Q219 VanDerWaalsContact C-N 3.31Å; T217-Q219 PolarHBondContact O-N 3.13Å; Q219-G221 VanDerWaalsContact C-N 3.25Å; Q219-G221 PolarHBondContact O-N 3.42Å; Q219-Q222 PolarHBondContact O-N 3.25Å; Q219-S223 PolarHBondContact O-N 3.21Å; Q219-S223 VanDerWaalsContact O-N 3.08Å |
| 220 | R | 66.6 | Low | 69.1 | Low | 202 Ų | 202 | 87.1 Ų | 87.1 | 76% | 0.762 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.7 | -30.2 | 177.3 | -72 | -179.6 | -174.9 | 177.7 | 2.1 | 112.8 | N216 T217 A218 Q222 S223 | N216-R220 PolarHBondContact O-N 3.23Å; T217-R220 PolarHBondContact O-N 3.29Å; A218-R220 PolarHBondContact O-N 3.08Å; R220-Q222 VanDerWaalsContact C-N 3.29Å; R220-S223 PolarHBondContact O-OG 3.11Å |
| 221 | G | 59.4 | Low | 66.5 | Low | 68 Ų | 68 | 93.9 Ų | 93.9 | 70% | 0.701 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -70.6 | -23.8 | 173 | 0 | 0 | 0 | 0 | 0 | 113.7 | T217 A218 Q219 | T217-G221 PolarHBondContact O-N 3.19Å; A218-G221 PolarHBondContact O-N 3.37Å; Q219-G221 VanDerWaalsContact C-N 3.25Å; Q219-G221 PolarHBondContact O-N 3.42Å |
| 222 | Q | 53.6 | Low | 63.9 | Low | 148 Ų | 148 | 99.7 Ų | 99.7 | 69% | 0.692 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -96.1 | -13.3 | -179.4 | -65.4 | -68.2 | -17.4 | 0 | 0 | 113.6 | A218 Q219 R220 F224 | A218-Q222 WeakPolarHBondContact O-CG 3.45Å; A218-Q222 PolarHBondContact O-N 3.26Å; Q219-Q222 PolarHBondContact O-N 3.25Å; R220-Q222 VanDerWaalsContact C-N 3.29Å; Q222-F224 PolarHBondContact O-N 2.94Å; Q222-F224 VanDerWaalsContact O-N 3.11Å |
| 223 | S | 51.5 | Low | 61.7 | Low | 80 Ų | 80 | 101 Ų | 101 | 56% | 0.559 | 54% | 0.542 | S | S | * | . | trans | -76.4 | 95.8 | 174.1 | 53.7 | 0 | 0 | 0 | 0 | 110.9 | Q219 R220 | Q219-S223 PolarHBondContact O-N 3.21Å; Q219-S223 VanDerWaalsContact O-N 3.08Å; R220-S223 PolarHBondContact O-OG 3.11Å | ||
| 224 | F | 48.3 | Very low | 59.3 | Low | 182 Ų | 182 | 99 Ų | 99 | 80% | 0.798 | 55% | 0.545 | S | S | * | . | trans | -62.6 | 137.6 | 163.9 | -71.3 | -83.9 | 0 | 0 | 0 | 109.6 | Q222 V226 | Q222-F224 PolarHBondContact O-N 2.94Å; Q222-F224 VanDerWaalsContact O-N 3.11Å; F224-V226 PolarHBondContact O-N 2.9Å; F224-V226 VanDerWaalsContact O-N 3.1Å | ||
| 225 | P | 46.7 | Very low | 56.9 | Low | 78 Ų | 78 | 100.3 Ų | 100.3 | 51% | 0.506 | 56% | 0.56 | S | S | . | * | trans | -62.5 | 119.7 | 174.7 | 25.7 | -31 | 0 | 0 | 0 | 108.7 | T227 T228 | P225-T227 PolarHBondContact O-N 3.1Å; P225-T228 PolarHBondContact O-N 3.05Å | ||
| 226 | V | 49.1 | Very low | 54.7 | Low | 118 Ų | 118 | 103.7 Ų | 103.7 | 72% | 0.715 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -53.5 | -17 | 175.4 | 174.9 | 0 | 0 | 0 | 0 | 111.9 | F224 T228 L229 | F224-V226 PolarHBondContact O-N 2.9Å; F224-V226 VanDerWaalsContact O-N 3.1Å; V226-T228 VanDerWaalsContact C-N 3.25Å; V226-T228 PolarHBondContact O-N 3.37Å; V226-L229 PolarHBondContact O-N 3.27Å |
| 227 | T | 46.4 | Very low | 52.5 | Low | 92 Ų | 92 | 107.1 Ų | 107.1 | 56% | 0.564 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -61.4 | -25.1 | 174.9 | -15.2 | 0 | 0 | 0 | 0 | 114.1 | P225 F231 | P225-T227 PolarHBondContact O-N 3.1Å; T227-F231 WeakPolarHBondContact O-CD2 3.16Å |
| 228 | T | 46.8 | Very low | 50.7 | Low | 89 Ų | 89 | 112.6 Ų | 112.6 | 55% | 0.546 | 61% | 0.614 | S | S | . | * | G | 310 helix | trans | -84.1 | -22.3 | -178.8 | -43 | 0 | 0 | 0 | 0 | 113.1 | P225 V226 | P225-T228 PolarHBondContact O-N 3.05Å; V226-T228 VanDerWaalsContact C-N 3.25Å; V226-T228 PolarHBondContact O-N 3.37Å |
| 229 | L | 43.4 | Very low | 49.1 | Very low | 135 Ų | 135 | 115.6 Ų | 115.6 | 71% | 0.707 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -79.7 | -21.5 | 179.6 | -138.5 | 80.8 | 0 | 0 | 0 | 113 | V226 F231 | V226-L229 PolarHBondContact O-N 3.27Å; L229-F231 VanDerWaalsContact C-N 3.35Å |
| 230 | L | 45.4 | Very low | 48.3 | Very low | 118 Ų | 118 | 117.1 Ų | 117.1 | 62% | 0.618 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -76.8 | -18.4 | 176.1 | -79.8 | 162.9 | 0 | 0 | 0 | 113.5 | T233 | L230-T233 PolarHBondContact O-OG1 3.27Å |
| 231 | F | 44.1 | Very low | 47.4 | Very low | 145 Ų | 145 | 113.6 Ų | 113.6 | 64% | 0.636 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -82.9 | -20.8 | 177.4 | -75.5 | -72.1 | 0 | 0 | 0 | 113.8 | T227 L229 | T227-F231 WeakPolarHBondContact O-CD2 3.16Å; L229-F231 VanDerWaalsContact C-N 3.35Å |
| 232 | L | 43.5 | Very low | 46.8 | Very low | 121 Ų | 121 | 123.5 Ų | 123.5 | 63% | 0.634 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -83.3 | -19 | 176.8 | -78.2 | 164.6 | 0 | 0 | 0 | 113.3 | ||
| 233 | T | 48.2 | Very low | 46.4 | Very low | 94 Ų | 94 | 122.3 Ų | 122.3 | 58% | 0.577 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -86.8 | -19.1 | 173.1 | 51.5 | 0 | 0 | 0 | 0 | 113.3 | L230 | L230-T233 PolarHBondContact O-OG1 3.27Å |
| 234 | A | 46 | Very low | 46.2 | Very low | 52 Ų | 52 | 124.5 Ų | 124.5 | 43% | 0.43 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -85.2 | -25.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 235 | T | 45.8 | Very low | 46 | Very low | 91 Ų | 91 | 121.3 Ų | 121.3 | 56% | 0.558 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -81.2 | -22.5 | 177 | 48.2 | 0 | 0 | 0 | 0 | 113.2 | F237 | T235-F237 VanDerWaalsContact C-N 3.34Š|
| 236 | S | 44.8 | Very low | 46 | Very low | 82 Ų | 82 | 123.9 Ų | 123.9 | 57% | 0.573 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -77.1 | -17.3 | 173.6 | -53.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 237 | F | 43.9 | Very low | 45.8 | Very low | 155 Ų | 155 | 124.3 Ų | 124.3 | 68% | 0.68 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -89.8 | -12.6 | 179.8 | -121.8 | -86.9 | 0 | 0 | 0 | 114.3 | T235 | T235-F237 VanDerWaalsContact C-N 3.34Š|
| 238 | F | 46.2 | Very low | 45.8 | Very low | 180 Ų | 180 | 126.4 Ų | 126.4 | 79% | 0.789 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -96.9 | -6.2 | 176.4 | -88.3 | -78.3 | 0 | 0 | 0 | 114.4 | ||
| 239 | V | 46.4 | Very low | 45.7 | Very low | 124 Ų | 124 | 129.1 Ų | 129.1 | 75% | 0.752 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -93.8 | -7.9 | 175.6 | -178.5 | 0 | 0 | 0 | 0 | 112.5 | ||
| 240 | T | 48.1 | Very low | 45.9 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 64% | 0.644 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -110 | 23.9 | 177.5 | 48.6 | 0 | 0 | 0 | 0 | 114.1 | ||
| 241 | I | 48.3 | Very low | 45.9 | Very low | 129 Ų | 129 | 129.5 Ų | 129.5 | 66% | 0.662 | 68% | 0.679 | S | S | * | * | trans | -119.5 | 73.3 | 165.1 | -52.8 | 179.8 | 0 | 0 | 0 | 108.2 | ||||
| 242 | F | 45.6 | Very low | 46.1 | Very low | 276 Ų | 276 | 128.1 Ų | 128.1 | 100% | 1.211 | 68% | 0.683 | S | S | * | * | trans | -107.6 | 0 | 134.5 | -87.3 | -78.3 | 0 | 0 | 0 | 106.8 |
Retrieved 242 of 242 residues in 372.1 ms
(Link to these results)