| 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 | 51.8 | Low | 70.2 | Confident | 247 Ų | 247 | 120.3 Ų | 120.3 | 100% | 1.217 | 64% | 0.64 | S | S | * | * | 0 | 102.4 | 0 | -75.7 | 178.8 | 154.1 | 0 | 0 | 108.5 | |||||
| 2 | M | 58.1 | Low | 70.9 | Confident | 192 Ų | 192 | 120.3 Ų | 120.3 | 95% | 0.946 | 63% | 0.631 | S | S | * | * | trans | -96.5 | 108.4 | -175.6 | -165.5 | 150 | 72.3 | 0 | 0 | 108.5 | C4 | M2-C4 PolarHBondContact O-N 2.84Š| ||
| 3 | K | 58.1 | Low | 71.5 | Confident | 183 Ų | 183 | 124.3 Ų | 124.3 | 80% | 0.796 | 63% | 0.633 | S | S | * | * | trans | -72.2 | 121.6 | 175.9 | -72.5 | -178 | 175 | 179.7 | 0 | 108.3 | ||||
| 4 | C | 69.1 | Low | 72 | Confident | 62 Ų | 62 | 123.9 Ų | 123.9 | 42% | 0.419 | 63% | 0.632 | S | S | . | * | trans | -69 | 126.2 | -176.1 | -166.5 | 0 | 0 | 0 | 0 | 110.4 | M2 Q6 A7 | M2-C4 PolarHBondContact O-N 2.84Å; C4-Q6 PolarHBondContact O-N 3.29Å; C4-Q6 VanDerWaalsContact O-N 3.12Å; C4-A7 WeakPolarHBondContact O-CB 3.44Å; C4-A7 PolarHBondContact O-N 3.22Å | ||
| 5 | P | 72.9 | Confident | 72.3 | Confident | 90 Ų | 90 | 123.6 Ų | 123.6 | 58% | 0.584 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -59.2 | -26.1 | -178.5 | 21.3 | -31.7 | 0 | 0 | 0 | 113.1 | A7 L8 L9 | P5-A7 VanDerWaalsContact C-N 3.31Å; P5-A7 PolarHBondContact O-N 2.6Å; P5-L8 PolarHBondContact O-N 2.9Å; P5-L9 PolarHBondContact O-N 3.04Å; P5-L9 VanDerWaalsContact O-N 3.1Å |
| 6 | Q | 72.7 | Confident | 72.1 | Confident | 149 Ų | 149 | 121.3 Ų | 121.3 | 70% | 0.696 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -63.5 | -34.5 | 174.7 | -67.4 | 177.3 | -61.8 | 0 | 0 | 112.8 | C4 L9 A10 | C4-Q6 PolarHBondContact O-N 3.29Å; C4-Q6 VanDerWaalsContact O-N 3.12Å; Q6-L9 PolarHBondContact O-N 2.67Å; Q6-A10 WeakPolarHBondContact O-CB 3.39Å; Q6-A10 PolarHBondContact O-N 2.86Å |
| 7 | A | 74.4 | Confident | 71.9 | Confident | 50 Ų | 50 | 119.4 Ų | 119.4 | 41% | 0.413 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -68.9 | -38.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | C4 P5 A10 I11 | C4-A7 WeakPolarHBondContact O-CB 3.44Å; C4-A7 PolarHBondContact O-N 3.22Å; P5-A7 VanDerWaalsContact C-N 3.31Å; P5-A7 PolarHBondContact O-N 2.6Å; A7-A10 PolarHBondContact O-N 2.84Å; A7-I11 WeakPolarHBondContact O-CB 3.42Å; A7-I11 WeakPolarHBondContact O-CD1 3.25Å; A7-I11 WeakPolarHBondContact O-CG1 3.38Å; A7-I11 PolarHBondContact O-N 3.03Å |
| 8 | L | 76.3 | Confident | 71.7 | Confident | 106 Ų | 106 | 125.3 Ų | 125.3 | 56% | 0.555 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -66.9 | -42.4 | 176.5 | -65.7 | 178.4 | 0 | 0 | 0 | 111.7 | P5 I11 F12 | P5-L8 PolarHBondContact O-N 2.9Å; L8-I11 PolarHBondContact O-N 2.84Å; L8-F12 WeakPolarHBondContact O-CB 3.05Å; L8-F12 PolarHBondContact O-N 3.23Å |
| 9 | L | 78.8 | Confident | 71.4 | Confident | 100 Ų | 100 | 125.1 Ų | 125.1 | 52% | 0.524 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -61.6 | -46 | 174.5 | -73.8 | 163.8 | 0 | 0 | 0 | 111.1 | P5 Q6 I11 F12 W13 | P5-L9 PolarHBondContact O-N 3.04Å; P5-L9 VanDerWaalsContact O-N 3.1Å; Q6-L9 PolarHBondContact O-N 2.67Å; L9-I11 PolarHBondContact O-N 3.29Å; L9-F12 WeakPolarHBondContact O-CB 3.37Å; L9-F12 PolarHBondContact O-N 3.05Å; L9-W13 PolarHBondContact O-N 3.37Å |
| 10 | A | 81.8 | Confident | 71.3 | Confident | 50 Ų | 50 | 123.8 Ų | 123.8 | 41% | 0.413 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -60.9 | -43.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q6 A7 F12 W13 L14 | Q6-A10 WeakPolarHBondContact O-CB 3.39Å; Q6-A10 PolarHBondContact O-N 2.86Å; A7-A10 PolarHBondContact O-N 2.84Å; A10-F12 VanDerWaalsContact C-N 3.33Å; A10-F12 PolarHBondContact O-N 3.22Å; A10-W13 PolarHBondContact O-N 2.89Å; A10-L14 VanDerWaalsContact O-CG 3.31Å; A10-L14 WeakPolarHBondContact O-CG 3.47Å; A10-L14 PolarHBondContact O-N 2.87Å |
| 11 | I | 78.1 | Confident | 71.2 | Confident | 94 Ų | 94 | 121.7 Ų | 121.7 | 48% | 0.482 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -61.3 | -42.8 | 174.5 | -69 | 161.8 | 0 | 0 | 0 | 110.5 | A7 L8 L9 L14 L15 | A7-I11 WeakPolarHBondContact O-CB 3.42Å; A7-I11 WeakPolarHBondContact O-CD1 3.25Å; A7-I11 WeakPolarHBondContact O-CG1 3.38Å; A7-I11 PolarHBondContact O-N 3.03Å; L8-I11 PolarHBondContact O-N 2.84Å; L9-I11 PolarHBondContact O-N 3.29Å; I11-L14 PolarHBondContact O-N 2.95Å; I11-L15 HydrophobicContact CG2-CD1 4.01Å; I11-L15 HydrophobicContact CG2-CG 4.39Å; I11-L15 VanDerWaalsContact O-CG 3.31Å; I11-L15 WeakPolarHBondContact O-CG 3.33Å; I11-L15 PolarHBondContact O-N 3.06Å |
| 12 | F | 78.1 | Confident | 72.6 | Confident | 120 Ų | 120 | 118 Ų | 118 | 53% | 0.526 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -63.6 | -42.5 | 178.3 | -176.1 | -107.1 | 0 | 0 | 0 | 112.4 | L8 L9 A10 L15 L16 | L8-F12 WeakPolarHBondContact O-CB 3.05Å; L8-F12 PolarHBondContact O-N 3.23Å; L9-F12 WeakPolarHBondContact O-CB 3.37Å; L9-F12 PolarHBondContact O-N 3.05Å; A10-F12 VanDerWaalsContact C-N 3.33Å; A10-F12 PolarHBondContact O-N 3.22Å; F12-L15 PolarHBondContact O-N 2.71Å; F12-L16 HydrophobicContact CD1-CD1 3.75Å; F12-L16 HydrophobicContact CD1-CG 4.49Å; F12-L16 HydrophobicContact CE1-CD1 3.32Å; F12-L16 HydrophobicContact CE1-CG 4.17Å; F12-L16 HydrophobicContact CE2-CD1 4.49Å; F12-L16 HydrophobicContact CZ-CD1 3.74Å; F12-L16 HydrophobicContact CZ-CD2 4.43Å; F12-L16 HydrophobicContact CZ-CG 4.18Å; F12-L16 WeakPolarHBondContact O-CG 3.48Å; F12-L16 PolarHBondContact O-N 3.12Å |
| 13 | W | 79.6 | Confident | 74.1 | Confident | 173 Ų | 173 | 113.9 Ų | 113.9 | 66% | 0.655 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.8 | -40.8 | 173.6 | -73.5 | 113.1 | 0 | 0 | 0 | 112.4 | L9 A10 L16 S17 | L9-W13 PolarHBondContact O-N 3.37Å; A10-W13 PolarHBondContact O-N 2.89Å; W13-L16 PolarHBondContact O-N 2.78Å; W13-S17 PolarHBondContact O-N 3Å; W13-S17 PolarHBondContact O-OG 2.8Å |
| 14 | L | 78.2 | Confident | 75.9 | Confident | 118 Ų | 118 | 110.1 Ų | 110.1 | 62% | 0.618 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.6 | -42.6 | 175.1 | -73.3 | 165.6 | 0 | 0 | 0 | 111.6 | A10 I11 S17 W18 | A10-L14 VanDerWaalsContact O-CG 3.31Å; A10-L14 WeakPolarHBondContact O-CG 3.47Å; A10-L14 PolarHBondContact O-N 2.87Å; I11-L14 PolarHBondContact O-N 2.95Å; L14-S17 PolarHBondContact O-N 2.93Å; L14-S17 PolarHBondContact O-OG 2.83Å; L14-W18 PolarHBondContact O-N 2.85Å |
| 15 | L | 76.2 | Confident | 77.2 | Confident | 120 Ų | 120 | 110 Ų | 110 | 63% | 0.628 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.4 | -40 | 176.6 | -70.2 | 172 | 0 | 0 | 0 | 112.4 | I11 F12 W18 | I11-L15 HydrophobicContact CG2-CD1 4.01Å; I11-L15 HydrophobicContact CG2-CG 4.39Å; I11-L15 VanDerWaalsContact O-CG 3.31Å; I11-L15 WeakPolarHBondContact O-CG 3.33Å; I11-L15 PolarHBondContact O-N 3.06Å; F12-L15 PolarHBondContact O-N 2.71Å; L15-W18 PolarHBondContact O-N 2.69Å |
| 16 | L | 69.8 | Low | 78.4 | Confident | 86 Ų | 86 | 108.8 Ų | 108.8 | 45% | 0.45 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.9 | -36 | 175.9 | -75.9 | 172.3 | 0 | 0 | 0 | 112.5 | F12 W13 W18 V19 | F12-L16 HydrophobicContact CD1-CD1 3.75Å; F12-L16 HydrophobicContact CD1-CG 4.49Å; F12-L16 HydrophobicContact CE1-CD1 3.32Å; F12-L16 HydrophobicContact CE1-CG 4.17Å; F12-L16 HydrophobicContact CE2-CD1 4.49Å; F12-L16 HydrophobicContact CZ-CD1 3.74Å; F12-L16 HydrophobicContact CZ-CD2 4.43Å; F12-L16 HydrophobicContact CZ-CG 4.18Å; F12-L16 WeakPolarHBondContact O-CG 3.48Å; F12-L16 PolarHBondContact O-N 3.12Å; W13-L16 PolarHBondContact O-N 2.78Å; L16-W18 PolarHBondContact O-N 2.99Å; L16-V19 PolarHBondContact O-N 3.1Å |
| 17 | S | 68.9 | Low | 79.6 | Confident | 90 Ų | 90 | 104.4 Ų | 104.4 | 63% | 0.629 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69 | -16.9 | 176 | 67.1 | 0 | 0 | 0 | 0 | 113.7 | W13 L14 V19 | W13-S17 PolarHBondContact O-N 3Å; W13-S17 PolarHBondContact O-OG 2.8Å; L14-S17 PolarHBondContact O-N 2.93Å; L14-S17 PolarHBondContact O-OG 2.83Å; S17-V19 VanDerWaalsContact C-N 3.35Å |
| 18 | W | 67.1 | Low | 80.7 | Confident | 225 Ų | 225 | 104.6 Ų | 104.6 | 85% | 0.852 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -3.6 | 176.1 | -162.8 | -85.6 | 0 | 0 | 0 | 113.1 | L14 L15 L16 S20 | L14-W18 PolarHBondContact O-N 2.85Å; L15-W18 PolarHBondContact O-N 2.69Å; L16-W18 PolarHBondContact O-N 2.99Å; W18-S20 PolarHBondContact O-N 2.9Å |
| 19 | V | 66.9 | Low | 81.7 | Confident | 121 Ų | 121 | 102.2 Ų | 102.2 | 73% | 0.733 | 54% | 0.539 | S | S | * | . | trans | -64 | 107.1 | 174.4 | 113.8 | 0 | 0 | 0 | 0 | 108.1 | L16 S17 | L16-V19 PolarHBondContact O-N 3.1Å; S17-V19 VanDerWaalsContact C-N 3.35Å | ||
| 20 | S | 68.1 | Low | 82.6 | Confident | 99 Ų | 99 | 105.7 Ų | 105.7 | 69% | 0.692 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 143.6 | 176 | 56.7 | 0 | 0 | 0 | 0 | 109 | W18 E22 | W18-S20 PolarHBondContact O-N 2.9Å; S20-E22 PolarHBondContact O-N 2.88Å |
| 21 | S | 70.2 | Confident | 83.3 | Confident | 80 Ų | 80 | 108.3 Ų | 108.3 | 56% | 0.559 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 132.3 | 167.6 | -168.8 | 0 | 0 | 0 | 0 | 109 | ||
| 22 | E | 81.5 | Confident | 84.1 | Confident | 171 Ų | 171 | 108.3 Ų | 108.3 | 80% | 0.799 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 133 | 172.3 | -170.2 | 174 | -174.6 | 0 | 0 | 108.6 | S20 K24 | S20-E22 PolarHBondContact O-N 2.88Å; E22-K24 PolarHBondContact O-N 3.49Å |
| 23 | D | 89.7 | Confident | 85 | Confident | 104 Ų | 104 | 109.2 Ų | 109.2 | 56% | 0.556 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 130.5 | 175.6 | -74.7 | -21.9 | 0 | 0 | 0 | 109.3 | E47 V48 T49 | D23-E47 CarbonylContact C-O 3.58Å; D23-E47 WeakPolarHBondContact CA-O 3.28Å; D23-V48 HydrophobicContact CB-CB 4.45Å; D23-V48 HydrophobicContact CB-CG1 3.92Å; D23-V48 VanDerWaalsContact OD1-CA 3.25Å; D23-V48 WeakPolarHBondContact OD1-CA 3.11Å; D23-T49 PolarHBondContact OD1-N 2.99Å |
| 24 | K | 94.5 | Very high | 85.8 | Confident | 104 Ų | 104 | 103.7 Ų | 103.7 | 45% | 0.452 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -130.1 | 138.2 | -173.3 | -170.9 | -177.1 | 177.6 | -169.1 | 0 | 111.5 | E22 V26 Y46 E47 | E22-K24 PolarHBondContact O-N 3.49Å; K24-V26 HydrophobicContact CD-CG2 4.22Å; K24-V26 HydrophobicContact CG-CG2 4.09Å; K24-Y46 CarbonylContact O-C 3.52Å; K24-Y46 WeakPolarHBondContact O-CA 3.47Å; K24-E47 HydrophobicContact CB-CB 4.26Å; K24-E47 PolarHBondContact N-O 2.85Å; K24-E47 PolarHBondContact O-N 2.93Å |
| 25 | V | 96.9 | Very high | 86.7 | Confident | 61 Ų | 61 | 105 Ų | 105 | 37% | 0.37 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.5 | 130.4 | 170.4 | 178.6 | 0 | 0 | 0 | 0 | 108.6 | C44 S45 C110 V112 | V25-C44 VanDerWaalsContact CG1-SG 3.58Å; V25-S45 WeakPolarHBondContact CA-O 3.45Å; V25-C110 HydrophobicContact CG1-CB 4.47Å; V25-V112 HydrophobicContact CG2-CB 4.18Å; V25-V112 HydrophobicContact CG2-CG2 3.84Å |
| 26 | V | 97.6 | Very high | 87.7 | Confident | 63 Ų | 63 | 105.4 Ų | 105.4 | 38% | 0.382 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126 | 126.2 | 179.5 | -178.5 | 0 | 0 | 0 | 0 | 109 | K24 C44 S45 | K24-V26 HydrophobicContact CD-CG2 4.22Å; K24-V26 HydrophobicContact CG-CG2 4.09Å; V26-C44 CarbonylContact O-C 3.55Å; V26-C44 WeakPolarHBondContact O-CA 3.4Å; V26-S45 PolarHBondContact N-O 2.75Å; V26-S45 PolarHBondContact O-N 2.67Å; V26-S45 PolarHBondContact O-OG 3.46Å |
| 27 | Q | 98.2 | Very high | 89.1 | Confident | 58 Ų | 58 | 103.8 Ų | 103.8 | 27% | 0.271 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.4 | 144.6 | 178.2 | -60.3 | -167.3 | 109.4 | 0 | 0 | 111.5 | N43 Y108 C110 | Q27-N43 CarbonylContact C-O 3.56Å; Q27-N43 VanDerWaalsContact CA-O 3.28Å; Q27-N43 WeakPolarHBondContact CA-O 3.28Å; Q27-Y108 PolarHBondContact NE2-O 3.46Å; Q27-Y108 PolarHBondContact OE1-O 2.93Å; Q27-C110 HydrophobicContact CG-CB 4.13Å |
| 28 | S | 98 | Very high | 90.4 | Very high | 53 Ų | 53 | 102.5 Ų | 102.5 | 37% | 0.371 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -146.2 | 147.9 | 173.6 | 63.4 | 0 | 0 | 0 | 0 | 112.6 | N43 | S28-N43 PolarHBondContact N-O 3.14Å; S28-N43 PolarHBondContact O-N 2.83Å |
| 29 | P | 97.8 | Very high | 91.9 | Very high | 56 Ų | 56 | 96.3 Ų | 96.3 | 36% | 0.364 | 55% | 0.552 | S | S | . | * | cis | -68.3 | 160 | -12.7 | 32.2 | -36.1 | 0 | 0 | 0 | 111.8 | S31 L32 L42 | P29-S31 VanDerWaalsContact C-N 3.3Å; P29-L32 HydrophobicContact CG-CB 3.95Å; P29-L32 HydrophobicContact CG-CD2 4.49Å; P29-L42 HydrophobicContact CG-CD2 4.44Å | ||
| 30 | L | 96.5 | Very high | 93.4 | Very high | 174 Ų | 174 | 91.1 Ų | 91.1 | 91% | 0.911 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -69.3 | -30 | 176.7 | -69.6 | 174.1 | 0 | 0 | 0 | 112.7 | ||
| 31 | S | 96.7 | Very high | 94.8 | Very high | 104 Ų | 104 | 89.4 Ų | 89.4 | 73% | 0.727 | 51% | 0.506 | S | S | * | . | trans | -154.8 | 147.6 | 175.7 | -174.2 | 0 | 0 | 0 | 0 | 108.4 | P29 | P29-S31 VanDerWaalsContact C-N 3.3Š| ||
| 32 | L | 96.3 | Very high | 96.2 | Very high | 95 Ų | 95 | 86.7 Ų | 86.7 | 50% | 0.497 | 49% | 0.485 | S | S | . | . | trans | -148.2 | 141.9 | 178.6 | -177.3 | 69.9 | 0 | 0 | 0 | 108.6 | P29 V34 V40 | P29-L32 HydrophobicContact CG-CB 3.95Å; P29-L32 HydrophobicContact CG-CD2 4.49Å; L32-V34 HydrophobicContact CD1-CG1 4.36Å; L32-V34 HydrophobicContact CD2-CG1 3.44Å; L32-V34 VanDerWaalsContact CD2-CG1 3.44Å; L32-V34 HydrophobicContact CG-CG1 3.62Å; L32-V40 HydrophobicContact CD2-CB 4.48Å; L32-V40 HydrophobicContact CD2-CG1 3.78Å; L32-V40 HydrophobicContact CD2-CG2 3.94Å | ||
| 33 | V | 96.9 | Very high | 97 | Very high | 138 Ų | 138 | 81.3 Ų | 81.3 | 84% | 0.836 | 46% | 0.462 | S | S | * | . | trans | -114.1 | 130.1 | 168.4 | -179.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 34 | V | 95.5 | Very high | 97.4 | Very high | 58 Ų | 58 | 76.3 Ų | 76.3 | 35% | 0.352 | 44% | 0.435 | S | S | . | . | trans | -134.5 | 161.8 | -178.3 | -64 | 0 | 0 | 0 | 0 | 111 | L32 D38 V40 T100 | L32-V34 HydrophobicContact CD1-CG1 4.36Å; L32-V34 HydrophobicContact CD2-CG1 3.44Å; L32-V34 VanDerWaalsContact CD2-CG1 3.44Å; L32-V34 HydrophobicContact CG-CG1 3.62Å; V34-D38 HydrophobicContact CB-CB 4.23Å; V34-V40 HydrophobicContact CB-CG2 4.11Å; V34-V40 HydrophobicContact CG1-CG2 3.46Å; V34-V40 VanDerWaalsContact CG1-CG2 3.46Å; V34-V40 HydrophobicContact CG2-CG2 3.9Å; V34-T100 HydrophobicContact CG2-CG2 4.17Å | ||
| 35 | H | 97.4 | Very high | 97.5 | Very high | 145 Ų | 145 | 73.9 Ų | 73.9 | 67% | 0.671 | 43% | 0.431 | S | S | * | . | trans | -89 | 160.1 | 173.4 | -54.8 | 87.3 | 0 | 0 | 0 | 110 | D38 T100 | H35-D38 IonicContact CG-OD2 3.95Å; H35-D38 PolarHBondContact N-OD2 2.76Å; H35-D38 IonicContact ND1-OD2 3.55Å; H35-D38 WeakPolarHBondContact O-CB 3.39Å; H35-D38 PolarHBondContact O-N 3.25Å; H35-T100 PolarHBondContact O-OG1 2.87Å | ||
| 36 | E | 97.6 | Very high | 97.5 | Very high | 129 Ų | 129 | 71.3 Ų | 71.3 | 60% | 0.603 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 139.6 | 169.9 | -64.1 | -165.9 | 146.7 | 0 | 0 | 110.3 | D38 T100 T102 | E36-D38 VanDerWaalsContact C-N 3.32Å; E36-T100 CarbonylContact C-O 3.43Å; E36-T100 VanDerWaalsContact CA-O 3.25Å; E36-T100 WeakPolarHBondContact CA-O 3.47Å; E36-T102 WeakPolarHBondContact OE1-CB 3.38Å; E36-T102 PolarHBondContact OE1-N 2.75Å; E36-T102 PolarHBondContact OE1-OG1 2.67Å |
| 37 | G | 97.9 | Very high | 97.4 | Very high | 51 Ų | 51 | 73 Ų | 73 | 53% | 0.526 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90 | -13.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | T100 | G37-T100 PolarHBondContact N-O 2.83Å; G37-T100 PolarHBondContact N-OG1 2.98Å |
| 38 | D | 98 | Very high | 97.1 | Very high | 64 Ų | 64 | 71.9 Ų | 71.9 | 34% | 0.342 | 42% | 0.416 | S | S | . | . | trans | -63.6 | 164.1 | 175.2 | -72.1 | -14.6 | 0 | 0 | 0 | 111.8 | V34 H35 E36 A99 T100 | V34-D38 HydrophobicContact CB-CB 4.23Å; H35-D38 IonicContact CG-OD2 3.95Å; H35-D38 PolarHBondContact N-OD2 2.76Å; H35-D38 IonicContact ND1-OD2 3.55Å; H35-D38 WeakPolarHBondContact O-CB 3.39Å; H35-D38 PolarHBondContact O-N 3.25Å; E36-D38 VanDerWaalsContact C-N 3.32Å; D38-A99 PolarHBondContact O-N 3.42Å; D38-A99 VanDerWaalsContact O-N 3.1Å; D38-T100 PolarHBondContact N-OG1 2.83Å; D38-T100 WeakPolarHBondContact O-CG2 3.49Å; D38-T100 PolarHBondContact O-N 3.3Å; D38-T100 PolarHBondContact O-OG1 3.49Å | ||
| 39 | T | 97.9 | Very high | 96.7 | Very high | 94 Ų | 94 | 74 Ų | 74 | 58% | 0.577 | 43% | 0.427 | S | S | * | . | trans | -110.6 | 126.9 | 167.4 | -63.2 | 0 | 0 | 0 | 0 | 109 | I97 T98 | T39-I97 WeakPolarHBondContact CA-O 3.47Å; T39-T98 HydrophobicContact CG2-CG2 4.09Å | ||
| 40 | V | 97.5 | Very high | 96.3 | Very high | 13 Ų | 13 | 77.3 Ų | 77.3 | 8% | 0.079 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 139.7 | -179.4 | 172.8 | 0 | 0 | 0 | 0 | 109.9 | L32 V34 L42 N96 I97 T100 | L32-V40 HydrophobicContact CD2-CB 4.48Å; L32-V40 HydrophobicContact CD2-CG1 3.78Å; L32-V40 HydrophobicContact CD2-CG2 3.94Å; V34-V40 HydrophobicContact CB-CG2 4.11Å; V34-V40 HydrophobicContact CG1-CG2 3.46Å; V34-V40 VanDerWaalsContact CG1-CG2 3.46Å; V34-V40 HydrophobicContact CG2-CG2 3.9Å; V40-L42 HydrophobicContact CG1-CD2 3.86Å; V40-L42 HydrophobicContact CG1-CG 4.16Å; V40-N96 CarbonylContact O-C 3.52Å; V40-N96 VanDerWaalsContact O-CA 3.3Å; V40-N96 WeakPolarHBondContact O-CA 3.39Å; V40-I97 HydrophobicContact CB-CB 4.44Å; V40-I97 PolarHBondContact N-O 2.93Å; V40-I97 PolarHBondContact O-N 3.3Å; V40-T100 HydrophobicContact CB-CG2 4.42Å; V40-T100 HydrophobicContact CG2-CG2 3.83Å |
| 41 | T | 98.3 | Very high | 96.2 | Very high | 62 Ų | 62 | 71.1 Ų | 71.1 | 38% | 0.38 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 119.3 | 174.4 | -63.4 | 0 | 0 | 0 | 0 | 108.1 | I94 N96 | T41-I94 HydrophobicContact CG2-CG2 3.52Å; T41-N96 WeakPolarHBondContact CB-OD1 3.3Å; T41-N96 WeakPolarHBondContact CG2-OD1 3.37Å; T41-N96 PolarHBondContact OG1-OD1 2.97Å |
| 42 | L | 98.5 | Very high | 96.1 | Very high | 24 Ų | 24 | 75.1 Ų | 75.1 | 13% | 0.126 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 136.4 | 171.5 | -53.7 | -179.6 | 0 | 0 | 0 | 108.5 | P29 V40 W56 I94 L95 Y108 | P29-L42 HydrophobicContact CG-CD2 4.44Å; V40-L42 HydrophobicContact CG1-CD2 3.86Å; V40-L42 HydrophobicContact CG1-CG 4.16Å; L42-W56 HydrophobicContact CB-CH2 4.05Å; L42-W56 HydrophobicContact CB-CZ3 4.37Å; L42-I94 CarbonylContact O-C 3.6Å; L42-I94 WeakPolarHBondContact O-CA 3.22Å; L42-L95 HydrophobicContact CB-CB 4.36Å; L42-L95 HydrophobicContact CD1-CD2 4.32Å; L42-L95 PolarHBondContact N-O 2.82Å; L42-L95 PolarHBondContact O-N 3.31Å; L42-Y108 VanDerWaalsContact CD1-CB 3.41Å; L42-Y108 HydrophobicContact CD1-CD1 4.21Å; L42-Y108 HydrophobicContact CD1-CD2 3.88Å; L42-Y108 HydrophobicContact CD1-CG 3.57Å |
| 43 | N | 98.4 | Very high | 96.2 | Very high | 57 Ų | 57 | 70.8 Ų | 70.8 | 31% | 0.305 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 145 | -179.5 | -52.8 | -60 | 0 | 0 | 0 | 110.1 | Q27 S28 I94 | Q27-N43 CarbonylContact C-O 3.56Å; Q27-N43 VanDerWaalsContact CA-O 3.28Å; Q27-N43 WeakPolarHBondContact CA-O 3.28Å; S28-N43 PolarHBondContact N-O 3.14Å; S28-N43 PolarHBondContact O-N 2.83Å; N43-I94 WeakPolarHBondContact OD1-CG1 3.37Å |
| 44 | C | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 111.3 | 172.1 | 175.8 | 0 | 0 | 0 | 0 | 109 | V25 V26 W56 F92 S93 C110 | V25-C44 VanDerWaalsContact CG1-SG 3.58Å; V26-C44 CarbonylContact O-C 3.55Å; V26-C44 WeakPolarHBondContact O-CA 3.4Å; C44-W56 HydrophobicContact CB-CH2 3.75Å; C44-W56 HydrophobicContact CB-CZ2 3.53Å; C44-F92 CarbonylContact O-C 3.54Å; C44-F92 WeakPolarHBondContact O-CA 3.43Å; C44-F92 WeakPolarHBondContact O-CB 3.43Å; C44-S93 PolarHBondContact N-O 2.91Å; C44-S93 PolarHBondContact O-N 2.66Å; C44-C110 HydrophobicContact CB-CB 3.47Å; C44-C110 VanDerWaalsContact CB-CB 3.47Å; C44-C110 WeakPolarHBondContact CB-SG 3.38Å; C44-C110 WeakPolarHBondContact SG-CB 3.19Å; C44-C110 CovalentContact SG-SG 2.02Å; C44-C110 PolarHBondContact SG-SG 2.92Å |
| 45 | S | 97.9 | Very high | 96.4 | Very high | 53 Ų | 53 | 61.7 Ų | 61.7 | 37% | 0.371 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 149.4 | 170.9 | 58.2 | 0 | 0 | 0 | 0 | 110.2 | V25 V26 L91 | V25-S45 WeakPolarHBondContact CA-O 3.45Å; V26-S45 PolarHBondContact N-O 2.75Å; V26-S45 PolarHBondContact O-N 2.67Å; V26-S45 PolarHBondContact O-OG 3.46Å; S45-L91 CarbonylContact C-O 3.48Å; S45-L91 WeakPolarHBondContact CA-O 3.35Å |
| 46 | Y | 96.8 | Very high | 96.5 | Very high | 6 Ų | 6 | 54.8 Ų | 54.8 | 2% | 0.024 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 152.4 | -176.6 | 63.8 | -92.7 | 0 | 0 | 0 | 112.8 | K24 V48 F51 L54 L86 L91 V112 | K24-Y46 CarbonylContact O-C 3.52Å; K24-Y46 WeakPolarHBondContact O-CA 3.47Å; Y46-V48 HydrophobicContact CD2-CG2 3.94Å; Y46-V48 HydrophobicContact CE2-CG2 4.31Å; Y46-F51 HydrophobicContact CD1-CE2 4.44Å; Y46-F51 AromaticContact CD2-CD2 3.93Å; Y46-F51 HydrophobicContact CD2-CD2 3.93Å; Y46-F51 HydrophobicContact CD2-CE2 4.37Å; Y46-F51 HydrophobicContact CE1-CD2 4.26Å; Y46-F51 AromaticContact CE1-CE2 3.83Å; Y46-F51 HydrophobicContact CE1-CE2 3.83Å; Y46-F51 HydrophobicContact CE2-CB 4.46Å; Y46-F51 AromaticContact CE2-CD2 3.29Å; Y46-F51 HydrophobicContact CE2-CD2 3.29Å; Y46-F51 AromaticContact CE2-CE2 3.75Å; Y46-F51 HydrophobicContact CE2-CE2 3.75Å; Y46-F51 HydrophobicContact CE2-CG 4.07Å; Y46-F51 AromaticContact CZ-CD2 3.48Å; Y46-F51 VanDerWaalsContact CZ-CD2 3.48Å; Y46-F51 AromaticContact CZ-CE2 3.44Å; Y46-F51 VanDerWaalsContact CZ-CE2 3.44Å; Y46-L54 HydrophobicContact CD1-CD1 3.81Å; Y46-L54 HydrophobicContact CE1-CD1 3.99Å; Y46-L86 HydrophobicContact CE1-CD1 3.87Å; Y46-L91 WeakPolarHBondContact CD1-O 3.32Å; Y46-L91 HydrophobicContact CD2-CB 4.44Å; Y46-L91 HydrophobicContact CD2-CD2 4.42Å; Y46-L91 VanDerWaalsContact CE1-C 3.43Å; Y46-L91 HydrophobicContact CE2-CB 4.2Å; Y46-L91 HydrophobicContact CE2-CD2 3.68Å; Y46-L91 PolarHBondContact N-O 2.84Å; Y46-L91 VanDerWaalsContact O-CB 3.31Å; Y46-L91 WeakPolarHBondContact O-CB 3.47Å; Y46-V112 HydrophobicContact CD1-CG2 4.22Å; Y46-V112 HydrophobicContact CD2-CG1 4.43Å; Y46-V112 HydrophobicContact CG-CG2 3.97Å |
| 47 | E | 94.8 | Very high | 96.5 | Very high | 100 Ų | 100 | 51.8 Ų | 51.8 | 47% | 0.467 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 98.1 | 170.8 | -65.1 | 170.2 | -138.2 | 0 | 0 | 106 | D23 K24 | D23-E47 CarbonylContact C-O 3.58Å; D23-E47 WeakPolarHBondContact CA-O 3.28Å; K24-E47 HydrophobicContact CB-CB 4.26Å; K24-E47 PolarHBondContact N-O 2.85Å; K24-E47 PolarHBondContact O-N 2.93Å |
| 48 | V | 92.6 | Very high | 96.5 | Very high | 33 Ų | 33 | 50.6 Ų | 50.6 | 20% | 0.2 | 26% | 0.26 | C | S | . | . | trans | -134.3 | 146.8 | 179.8 | -54.1 | 0 | 0 | 0 | 0 | 110.9 | D23 Y46 F51 V112 | D23-V48 HydrophobicContact CB-CB 4.45Å; D23-V48 HydrophobicContact CB-CG1 3.92Å; D23-V48 VanDerWaalsContact OD1-CA 3.25Å; D23-V48 WeakPolarHBondContact OD1-CA 3.11Å; Y46-V48 HydrophobicContact CD2-CG2 3.94Å; Y46-V48 HydrophobicContact CE2-CG2 4.31Å; V48-F51 HydrophobicContact CG2-CB 3.74Å; V48-F51 HydrophobicContact CG2-CD2 4.05Å; V48-F51 HydrophobicContact CG2-CG 4.42Å; V48-V112 HydrophobicContact CB-CG1 4.39Å; V48-V112 HydrophobicContact CG1-CB 4.31Å; V48-V112 HydrophobicContact CG1-CG1 3.87Å; V48-V112 HydrophobicContact CG2-CG1 3.67Å | ||
| 49 | T | 87.9 | Confident | 96.4 | Very high | 98 Ų | 98 | 49.8 Ų | 49.8 | 60% | 0.601 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -76.3 | -38.7 | -175.2 | -57.1 | 0 | 0 | 0 | 0 | 112.9 | D23 | D23-T49 PolarHBondContact OD1-N 2.99Š|
| 50 | N | 89.7 | Confident | 96.2 | Very high | 126 Ų | 126 | 51.3 Ų | 51.3 | 67% | 0.674 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -123.5 | 53.1 | -170.5 | -70.6 | -51.7 | 0 | 0 | 0 | 112.6 | R52 | N50-R52 PolarHBondContact O-N 3.18Š|
| 51 | F | 94.6 | Very high | 95.8 | Very high | 44 Ų | 44 | 59 Ų | 59 | 19% | 0.193 | 29% | 0.288 | C | S | . | . | trans | -53 | 123.7 | -178.3 | -176.6 | -82.8 | 0 | 0 | 0 | 113 | Y46 V48 S53 L54 L86 K88 V112 E113 | Y46-F51 HydrophobicContact CD1-CE2 4.44Å; Y46-F51 AromaticContact CD2-CD2 3.93Å; Y46-F51 HydrophobicContact CD2-CD2 3.93Å; Y46-F51 HydrophobicContact CD2-CE2 4.37Å; Y46-F51 HydrophobicContact CE1-CD2 4.26Å; Y46-F51 AromaticContact CE1-CE2 3.83Å; Y46-F51 HydrophobicContact CE1-CE2 3.83Å; Y46-F51 HydrophobicContact CE2-CB 4.46Å; Y46-F51 AromaticContact CE2-CD2 3.29Å; Y46-F51 HydrophobicContact CE2-CD2 3.29Å; Y46-F51 AromaticContact CE2-CE2 3.75Å; Y46-F51 HydrophobicContact CE2-CE2 3.75Å; Y46-F51 HydrophobicContact CE2-CG 4.07Å; Y46-F51 AromaticContact CZ-CD2 3.48Å; Y46-F51 VanDerWaalsContact CZ-CD2 3.48Å; Y46-F51 AromaticContact CZ-CE2 3.44Å; Y46-F51 VanDerWaalsContact CZ-CE2 3.44Å; V48-F51 HydrophobicContact CG2-CB 3.74Å; V48-F51 HydrophobicContact CG2-CD2 4.05Å; V48-F51 HydrophobicContact CG2-CG 4.42Å; F51-S53 VanDerWaalsContact CZ-C 3.44Å; F51-L54 HydrophobicContact CE2-CB 4Å; F51-L54 HydrophobicContact CZ-CB 3.93Å; F51-L86 HydrophobicContact CE1-CD2 3.9Å; F51-L86 HydrophobicContact CE2-CD1 4.4Å; F51-L86 HydrophobicContact CZ-CD1 3.98Å; F51-L86 HydrophobicContact CZ-CD2 3.62Å; F51-L86 HydrophobicContact CZ-CG 4.47Å; F51-K88 HydrophobicContact CD1-CD 4.34Å; F51-K88 HydrophobicContact CE1-CD 4.23Å; F51-K88 VanDerWaalsContact CE1-CE 3.46Å; F51-K88 HydrophobicContact CE1-CG 4.35Å; F51-V112 HydrophobicContact CD2-CG1 3.49Å; F51-V112 VanDerWaalsContact CD2-CG1 3.49Å; F51-V112 HydrophobicContact CE2-CG1 3.73Å; F51-E113 CarbonylContact C-O 3.56Å | ||
| 52 | R | 96.2 | Very high | 95.4 | Very high | 187 Ų | 187 | 65.7 Ų | 65.7 | 71% | 0.706 | 31% | 0.312 | S | S | * | . | trans | -110.5 | -51.9 | 172.4 | -61.7 | 179.5 | 175.7 | 175.6 | 1.4 | 111 | N50 E113 | N50-R52 PolarHBondContact O-N 3.18Å; R52-E113 WeakPolarHBondContact CA-O 3.33Å; R52-E113 HydrophobicContact CB-CB 4.39Å; R52-E113 WeakPolarHBondContact CB-O 3.48Å; R52-E113 PolarHBondContact N-O 2.92Å | ||
| 53 | S | 97.3 | Very high | 95.1 | Very high | 4 Ų | 4 | 68 Ų | 68 | 3% | 0.028 | 33% | 0.334 | C | S | . | . | trans | -154.3 | 156.9 | -176.8 | 85.7 | 0 | 0 | 0 | 0 | 112.9 | F51 L55 L70 V112 E113 | F51-S53 VanDerWaalsContact CZ-C 3.44Å; S53-L55 WeakPolarHBondContact OG-CD1 3.15Å; S53-L70 WeakPolarHBondContact CA-O 3.24Å; S53-V112 WeakPolarHBondContact O-CA 3.2Å; S53-E113 PolarHBondContact N-O 2.82Å; S53-E113 PolarHBondContact O-N 2.02Å; S53-E113 PolarHBondContact OG-OE2 2.74Å | ||
| 54 | L | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 132.9 | 168.8 | -173.4 | 148 | 0 | 0 | 0 | 109.2 | Y46 F51 W56 M69 L70 L86 S93 A111 V112 | Y46-L54 HydrophobicContact CD1-CD1 3.81Å; Y46-L54 HydrophobicContact CE1-CD1 3.99Å; F51-L54 HydrophobicContact CE2-CB 4Å; F51-L54 HydrophobicContact CZ-CB 3.93Å; L54-W56 HydrophobicContact CD2-CG 4.44Å; L54-M69 CarbonylContact O-C 3.54Å; L54-M69 WeakPolarHBondContact O-CA 3.46Å; L54-L70 HydrophobicContact CD2-CD1 3.76Å; L54-L70 PolarHBondContact N-O 3.06Å; L54-L70 PolarHBondContact O-N 3.23Å; L54-L86 HydrophobicContact CB-CD1 4.19Å; L54-L86 HydrophobicContact CD1-CD1 4.13Å; L54-S93 VanDerWaalsContact CD1-CB 3.42Å; L54-S93 VanDerWaalsContact CD2-CB 3.5Å; L54-S93 WeakPolarHBondContact CD2-OG 3.49Å; L54-A111 CarbonylContact C-O 3.57Å; L54-A111 WeakPolarHBondContact CA-O 3.37Å; L54-V112 HydrophobicContact CD1-CG2 4.07Å; L54-V112 HydrophobicContact CG-CG2 4.25Å |
| 55 | L | 98.4 | Very high | 95 | Very high | 5 Ų | 5 | 72.5 Ų | 72.5 | 3% | 0.026 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 136.7 | -177.5 | -55.5 | 96 | 0 | 0 | 0 | 110.7 | S53 Y57 F66 F68 M69 C110 A111 E113 | S53-L55 WeakPolarHBondContact OG-CD1 3.15Å; L55-Y57 HydrophobicContact CB-CD2 4.32Å; L55-Y57 HydrophobicContact CB-CE2 3.58Å; L55-Y57 HydrophobicContact CD2-CE2 4.38Å; L55-Y57 WeakPolarHBondContact CD2-OH 3.19Å; L55-F66 HydrophobicContact CD2-CD2 4.39Å; L55-F66 HydrophobicContact CD2-CE2 4.1Å; L55-F68 CarbonylContact C-O 3.59Å; L55-F68 VanDerWaalsContact CA-O 3.28Å; L55-F68 WeakPolarHBondContact CA-O 3.42Å; L55-M69 HydrophobicContact CD2-CE 3.97Å; L55-C110 CarbonylContact O-C 3.56Å; L55-C110 WeakPolarHBondContact O-CA 3.43Å; L55-A111 PolarHBondContact N-O 2.67Å; L55-A111 PolarHBondContact O-N 3.42Å; L55-E113 HydrophobicContact CD1-CG 3.72Å |
| 56 | W | 98.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 75.1 Ų | 75.1 | 0% | 0.004 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 138.5 | 169.9 | -78.6 | 102 | 0 | 0 | 0 | 110.5 | L42 C44 L54 L67 F68 S84 S93 L95 L109 C110 | L42-W56 HydrophobicContact CB-CH2 4.05Å; L42-W56 HydrophobicContact CB-CZ3 4.37Å; C44-W56 HydrophobicContact CB-CH2 3.75Å; C44-W56 HydrophobicContact CB-CZ2 3.53Å; L54-W56 HydrophobicContact CD2-CG 4.44Å; W56-L67 HydrophobicContact CB-CB 4.2Å; W56-L67 HydrophobicContact CB-CD1 4.4Å; W56-L67 WeakPolarHBondContact O-CB 2.99Å; W56-L67 PolarHBondContact O-N 3.34Å; W56-F68 PolarHBondContact N-O 2.86Å; W56-F68 PolarHBondContact O-N 3.43Å; W56-S84 PolarHBondContact NE1-OG 2.84Å; W56-S93 PolarHBondContact NE1-OG 2.89Å; W56-L95 HydrophobicContact CB-CD2 4.48Å; W56-L95 HydrophobicContact CD2-CB 3.71Å; W56-L95 HydrophobicContact CD2-CD2 3.95Å; W56-L95 HydrophobicContact CD2-CG 4.32Å; W56-L95 HydrophobicContact CE3-CB 4Å; W56-L95 HydrophobicContact CE3-CD2 3.69Å; W56-L95 HydrophobicContact CE3-CG 4.45Å; W56-L95 HydrophobicContact CG-CB 4.24Å; W56-L95 HydrophobicContact CG-CD1 4.41Å; W56-L95 HydrophobicContact CG-CD2 4.31Å; W56-L95 HydrophobicContact CH2-CB 4.03Å; W56-L95 HydrophobicContact CZ2-CB 3.76Å; W56-L95 HydrophobicContact CZ3-CB 4.16Å; W56-L95 HydrophobicContact CZ3-CD2 4.2Å; W56-L109 CarbonylContact C-O 3.5Å; W56-L109 WeakPolarHBondContact CA-O 3.31Å; W56-C110 HydrophobicContact CD2-CB 4.35Å; W56-C110 HydrophobicContact CE3-CB 4.07Å; W56-C110 HydrophobicContact CH2-CB 4.05Å; W56-C110 HydrophobicContact CZ2-CB 4.31Å; W56-C110 HydrophobicContact CZ3-CB 3.92Å |
| 57 | Y | 98.3 | Very high | 95 | Very high | 66 Ų | 66 | 76.7 Ų | 76.7 | 26% | 0.259 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 153.1 | 176.5 | -63.1 | -97 | 0 | 0 | 0 | 111.3 | L55 P64 T65 F66 Y108 L109 A111 | L55-Y57 HydrophobicContact CB-CD2 4.32Å; L55-Y57 HydrophobicContact CB-CE2 3.58Å; L55-Y57 HydrophobicContact CD2-CE2 4.38Å; L55-Y57 WeakPolarHBondContact CD2-OH 3.19Å; Y57-P64 HydrophobicContact CD1-CB 3.89Å; Y57-P64 HydrophobicContact CG-CB 4.08Å; Y57-T65 CarbonylContact C-O 3.59Å; Y57-T65 WeakPolarHBondContact CA-O 2.96Å; Y57-F66 HydrophobicContact CD1-CB 4.19Å; Y57-F66 HydrophobicContact CE1-CB 3.99Å; Y57-F66 HydrophobicContact CE1-CD2 4.29Å; Y57-Y108 WeakPolarHBondContact O-CA 3.39Å; Y57-L109 PolarHBondContact N-O 2.98Å; Y57-L109 PolarHBondContact O-N 3.41Å; Y57-A111 HydrophobicContact CE2-CB 4.33Å |
| 58 | K | 97.7 | Very high | 95.2 | Very high | 25 Ų | 25 | 72.6 Ų | 72.6 | 11% | 0.109 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 127.9 | 168.6 | -173.4 | -173.9 | -175.5 | -165.8 | 0 | 109.8 | E60 T65 L67 G103 A106 Y108 | K58-E60 HydrophobicContact CD-CG 4.24Å; K58-E60 WeakPolarHBondContact CE-OE1 3.49Å; K58-E60 HydrophobicContact CG-CG 4.37Å; K58-E60 IonicContact NZ-OE1 3.75Å; K58-E60 PolarHBondContact NZ-OE1 2.82Å; K58-T65 PolarHBondContact N-O 2.78Å; K58-T65 PolarHBondContact O-N 2.93Å; K58-L67 HydrophobicContact CB-CD1 4.06Å; K58-L67 HydrophobicContact CB-CD2 4.03Å; K58-L67 HydrophobicContact CB-CG 4.17Å; K58-G103 PolarHBondContact NZ-O 3.25Å; K58-A106 HydrophobicContact CD-CB 4.23Å; K58-A106 HydrophobicContact CG-CB 3.63Å; K58-Y108 HydrophobicContact CB-CD1 4.35Å; K58-Y108 HydrophobicContact CB-CE1 4.12Å; K58-Y108 HydrophobicContact CD-CE1 4.26Å; K58-Y108 HydrophobicContact CG-CD1 4.42Å; K58-Y108 HydrophobicContact CG-CE1 3.93Å |
| 59 | Q | 96.5 | Very high | 95.5 | Very high | 47 Ų | 47 | 74.5 Ų | 74.5 | 22% | 0.22 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 97.9 | 179.3 | -175.7 | 179.5 | 30.1 | 0 | 0 | 110 | K61 K62 P64 I107 L109 | Q59-K61 WeakPolarHBondContact CG-O 3.32Å; Q59-K62 PolarHBondContact NE2-O 3.43Å; Q59-P64 HydrophobicContact CB-CB 4.37Å; Q59-P64 HydrophobicContact CB-CG 4.44Å; Q59-P64 HydrophobicContact CG-CG 4.42Å; Q59-I107 HydrophobicContact CB-CB 4.31Å; Q59-I107 PolarHBondContact N-O 2.96Å; Q59-I107 PolarHBondContact O-N 2.98Å; Q59-I107 VanDerWaalsContact O-N 3.12Å; Q59-L109 HydrophobicContact CB-CD1 4.45Å |
| 60 | E | 92.5 | Very high | 96 | Very high | 126 Ų | 126 | 69.9 Ų | 69.9 | 59% | 0.589 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -86.8 | -31 | 174.3 | -65.7 | 174.2 | -166.4 | 0 | 0 | 112.5 | K58 A106 | K58-E60 HydrophobicContact CD-CG 4.24Å; K58-E60 WeakPolarHBondContact CE-OE1 3.49Å; K58-E60 HydrophobicContact CG-CG 4.37Å; K58-E60 IonicContact NZ-OE1 3.75Å; K58-E60 PolarHBondContact NZ-OE1 2.82Å; E60-A106 HydrophobicContact CG-CB 3.99Å |
| 61 | K | 89 | Confident | 96.3 | Very high | 176 Ų | 176 | 67 Ų | 67 | 77% | 0.765 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -129.1 | -146.7 | -179.4 | -61.8 | -176.9 | -176.9 | 174.2 | 0 | 109.1 | Q59 | Q59-K61 WeakPolarHBondContact CG-O 3.32Š|
| 62 | K | 90.3 | Very high | 96.4 | Very high | 202 Ų | 202 | 67.6 Ų | 67.6 | 88% | 0.878 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -68.1 | -36 | -177.7 | -65.2 | -174.1 | 178.1 | -177.4 | 0 | 113.7 | Q59 | Q59-K62 PolarHBondContact NE2-O 3.43Š|
| 63 | A | 93.5 | Very high | 96.5 | Very high | 71 Ų | 71 | 61.5 Ų | 61.5 | 59% | 0.587 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -103.2 | 132.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 64 | P | 96.1 | Very high | 96.5 | Very high | 62 Ų | 62 | 64 Ų | 64 | 40% | 0.403 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 138.7 | 170 | -17.5 | 31.1 | 0 | 0 | 0 | 111.9 | Y57 Q59 L109 | Y57-P64 HydrophobicContact CD1-CB 3.89Å; Y57-P64 HydrophobicContact CG-CB 4.08Å; Q59-P64 HydrophobicContact CB-CB 4.37Å; Q59-P64 HydrophobicContact CB-CG 4.44Å; Q59-P64 HydrophobicContact CG-CG 4.42Å; P64-L109 HydrophobicContact CB-CD1 4.38Å; P64-L109 HydrophobicContact CG-CD1 4Å |
| 65 | T | 97 | Very high | 96.4 | Very high | 91 Ų | 91 | 68.8 Ų | 68.8 | 56% | 0.558 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 129.5 | 173.3 | -59.3 | 0 | 0 | 0 | 0 | 108.9 | Y57 K58 | Y57-T65 CarbonylContact C-O 3.59Å; Y57-T65 WeakPolarHBondContact CA-O 2.96Å; K58-T65 PolarHBondContact N-O 2.78Å; K58-T65 PolarHBondContact O-N 2.93Å |
| 66 | F | 97.7 | Very high | 96.4 | Very high | 107 Ų | 107 | 73.7 Ų | 73.7 | 47% | 0.469 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 137.2 | 178.7 | 172 | -97.7 | 0 | 0 | 0 | 112 | L55 Y57 F68 M69 | L55-F66 HydrophobicContact CD2-CD2 4.39Å; L55-F66 HydrophobicContact CD2-CE2 4.1Å; Y57-F66 HydrophobicContact CD1-CB 4.19Å; Y57-F66 HydrophobicContact CE1-CB 3.99Å; Y57-F66 HydrophobicContact CE1-CD2 4.29Å; F66-F68 VanDerWaalsContact CE2-O 3.22Å; F66-F68 WeakPolarHBondContact CE2-O 3.32Å; F66-M69 HydrophobicContact CE2-CB 3.8Å; F66-M69 HydrophobicContact CZ-CB 3.67Å; F66-M69 VanDerWaalsContact CZ-N 3.28Å |
| 67 | L | 98.2 | Very high | 96.4 | Very high | 40 Ų | 40 | 77.7 Ų | 77.7 | 21% | 0.209 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | -59.2 | 175.3 | -60.3 | 177.7 | 0 | 0 | 0 | 111.6 | W56 K58 L82 L95 Y108 | W56-L67 HydrophobicContact CB-CB 4.2Å; W56-L67 HydrophobicContact CB-CD1 4.4Å; W56-L67 WeakPolarHBondContact O-CB 2.99Å; W56-L67 PolarHBondContact O-N 3.34Å; K58-L67 HydrophobicContact CB-CD1 4.06Å; K58-L67 HydrophobicContact CB-CD2 4.03Å; K58-L67 HydrophobicContact CB-CG 4.17Å; L67-L82 HydrophobicContact CD1-CD2 3.83Å; L67-L82 HydrophobicContact CD2-CD2 4.13Å; L67-L95 HydrophobicContact CD1-CD1 4.44Å; L67-L95 HydrophobicContact CD1-CD2 3.9Å; L67-Y108 HydrophobicContact CD1-CD1 3.98Å; L67-Y108 HydrophobicContact CD1-CE1 3.98Å |
| 68 | F | 98.5 | Very high | 96.4 | Very high | 13 Ų | 13 | 81.9 Ų | 81.9 | 6% | 0.057 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 149 | -174.1 | -61.5 | -64.4 | 0 | 0 | 0 | 111.5 | L55 W56 F66 L70 K77 L82 L95 | L55-F68 CarbonylContact C-O 3.59Å; L55-F68 VanDerWaalsContact CA-O 3.28Å; L55-F68 WeakPolarHBondContact CA-O 3.42Å; W56-F68 PolarHBondContact N-O 2.86Å; W56-F68 PolarHBondContact O-N 3.43Å; F66-F68 VanDerWaalsContact CE2-O 3.22Å; F66-F68 WeakPolarHBondContact CE2-O 3.32Å; F68-L70 HydrophobicContact CB-CD1 4.45Å; F68-K77 HydrophobicContact CD1-CB 3.74Å; F68-K77 HydrophobicContact CE1-CB 4.02Å; F68-K77 HydrophobicContact CG-CB 4.42Å; F68-L82 HydrophobicContact CE2-CB 3.92Å; F68-L82 HydrophobicContact CZ-CB 4.09Å; F68-L95 HydrophobicContact CD2-CD1 3.83Å; F68-L95 HydrophobicContact CE2-CD1 3.75Å |
| 69 | M | 98.3 | Very high | 96.4 | Very high | 73 Ų | 73 | 84.3 Ų | 84.3 | 36% | 0.36 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 125.7 | 165.3 | 173.9 | -172 | -77.5 | 0 | 0 | 107.2 | L54 L55 F66 T71 K77 | L54-M69 CarbonylContact O-C 3.54Å; L54-M69 WeakPolarHBondContact O-CA 3.46Å; L55-M69 HydrophobicContact CD2-CE 3.97Å; F66-M69 HydrophobicContact CE2-CB 3.8Å; F66-M69 HydrophobicContact CZ-CB 3.67Å; F66-M69 VanDerWaalsContact CZ-N 3.28Å; M69-T71 HydrophobicContact CG-CG2 4.23Å; M69-T71 HydrophobicContact SD-CG2 4.4Å; M69-K77 WeakPolarHBondContact O-CD 3.2Å; M69-K77 VanDerWaalsContact O-CE 3.23Å; M69-K77 WeakPolarHBondContact O-CE 3.48Å; M69-K77 PolarHBondContact O-NZ 3.02Å |
| 70 | L | 98.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 85.2 Ų | 85.2 | 1% | 0.01 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 119.8 | -177.5 | -57.9 | 126 | 0 | 0 | 0 | 108.9 | S53 L54 F68 K77 S84 L86 | S53-L70 WeakPolarHBondContact CA-O 3.24Å; L54-L70 HydrophobicContact CD2-CD1 3.76Å; L54-L70 PolarHBondContact N-O 3.06Å; L54-L70 PolarHBondContact O-N 3.23Å; F68-L70 HydrophobicContact CB-CD1 4.45Å; L70-K77 HydrophobicContact CD2-CG 4.36Å; L70-S84 VanDerWaalsContact CD1-OG 3.26Å; L70-S84 WeakPolarHBondContact CD1-OG 3.49Å; L70-S84 WeakPolarHBondContact CD2-O 3.32Å; L70-L86 HydrophobicContact CB-CB 3.78Å; L70-L86 HydrophobicContact CB-CD2 4.07Å; L70-L86 HydrophobicContact CD2-CB 4.29Å; L70-L86 HydrophobicContact CG-CB 4.47Å |
| 71 | T | 97.3 | Very high | 96.6 | Very high | 66 Ų | 66 | 81.9 Ų | 81.9 | 41% | 0.405 | 46% | 0.456 | S | S | . | . | trans | -116.5 | -14.8 | -178.3 | 54.3 | 0 | 0 | 0 | 0 | 112.5 | M69 K88 | M69-T71 HydrophobicContact CG-CG2 4.23Å; M69-T71 HydrophobicContact SD-CG2 4.4Å; T71-K88 WeakPolarHBondContact O-CE 3.49Å; T71-K88 PolarHBondContact O-NZ 2.78Å | ||
| 72 | S | 96.9 | Very high | 97.1 | Very high | 56 Ų | 56 | 74.8 Ų | 74.8 | 39% | 0.392 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -123.7 | 139.9 | -176.1 | -64.3 | 0 | 0 | 0 | 0 | 110.6 | ||
| 73 | S | 97.5 | Very high | 97.5 | Very high | 59 Ų | 59 | 65.7 Ų | 65.7 | 41% | 0.413 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 140.7 | 177.2 | -153.9 | 0 | 0 | 0 | 0 | 110.6 | I75 L86 D87 K88 | S73-I75 VanDerWaalsContact C-N 3.27Å; S73-I75 PolarHBondContact O-N 2.73Å; S73-L86 CarbonylContact C-O 3.55Å; S73-L86 VanDerWaalsContact CA-O 3.31Å; S73-L86 WeakPolarHBondContact CA-O 3.34Å; S73-L86 PolarHBondContact OG-O 2.81Å; S73-D87 WeakPolarHBondContact OG-CA 3.31Å; S73-K88 PolarHBondContact OG-N 2.92Å |
| 74 | G | 97.2 | Very high | 97.7 | Very high | 56 Ų | 56 | 62.3 Ų | 62.3 | 58% | 0.577 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | 1.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | L86 | G74-L86 PolarHBondContact N-O 2.96Š|
| 75 | I | 97.2 | Very high | 97.9 | Very high | 101 Ų | 101 | 62 Ų | 62 | 52% | 0.518 | 35% | 0.354 | S | S | . | . | trans | -97.7 | 110.3 | 176.8 | -55 | -175.4 | 0 | 0 | 0 | 109.1 | S73 | S73-I75 VanDerWaalsContact C-N 3.27Å; S73-I75 PolarHBondContact O-N 2.73Å | ||
| 76 | E | 97.8 | Very high | 97.9 | Very high | 107 Ų | 107 | 57.8 Ų | 57.8 | 50% | 0.5 | 33% | 0.328 | S | S | . | . | trans | -71.4 | 128.1 | 173.5 | -172.4 | -179.3 | -130.7 | 0 | 0 | 110.6 | S83 S84 | E76-S83 VanDerWaalsContact OE1-CB 3.24Å; E76-S83 WeakPolarHBondContact OE1-CB 3.39Å; E76-S83 PolarHBondContact OE1-OG 3.39Å; E76-S84 WeakPolarHBondContact CA-O 3.43Å | ||
| 77 | K | 98.2 | Very high | 97.9 | Very high | 86 Ų | 86 | 54.9 Ų | 54.9 | 37% | 0.374 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 140.2 | 166.1 | -70.1 | -166.6 | 170.9 | -170.2 | 0 | 109.4 | F68 M69 L70 S83 S84 | F68-K77 HydrophobicContact CD1-CB 3.74Å; F68-K77 HydrophobicContact CE1-CB 4.02Å; F68-K77 HydrophobicContact CG-CB 4.42Å; M69-K77 WeakPolarHBondContact O-CD 3.2Å; M69-K77 VanDerWaalsContact O-CE 3.23Å; M69-K77 WeakPolarHBondContact O-CE 3.48Å; M69-K77 PolarHBondContact O-NZ 3.02Å; L70-K77 HydrophobicContact CD2-CG 4.36Å; K77-S83 CarbonylContact O-C 3.39Å; K77-S83 WeakPolarHBondContact O-CA 3.44Å; K77-S83 WeakPolarHBondContact O-CB 3.17Å; K77-S84 PolarHBondContact N-O 3.42Å; K77-S84 PolarHBondContact O-N 2.8Å |
| 78 | K | 98.1 | Very high | 97.8 | Very high | 153 Ų | 153 | 56.9 Ų | 56.9 | 67% | 0.665 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134 | 139.5 | -177.7 | -170.4 | 171.3 | -176.8 | 171.7 | 0 | 111.3 | G80 L82 | K78-G80 WeakPolarHBondContact CE-O 3.24Å; K78-L82 WeakPolarHBondContact CA-O 3.42Å; K78-L82 WeakPolarHBondContact CG-O 3.14Å |
| 79 | S | 97.4 | Very high | 97.7 | Very high | 76 Ų | 76 | 64.4 Ų | 64.4 | 53% | 0.531 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 103.8 | 173.7 | -175.1 | 0 | 0 | 0 | 0 | 108.7 | R81 L82 | S79-R81 PolarHBondContact O-N 3.03Å; S79-L82 PolarHBondContact N-O 2.84Å; S79-L82 PolarHBondContact O-N 2.71Å |
| 80 | G | 97.3 | Very high | 97.6 | Very high | 66 Ų | 66 | 66.1 Ų | 66.1 | 68% | 0.68 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | -119 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K78 L82 | K78-G80 WeakPolarHBondContact CE-O 3.24Å; G80-L82 VanDerWaalsContact C-N 3.35Å |
| 81 | R | 97.7 | Very high | 97.6 | Very high | 57 Ų | 57 | 69.5 Ų | 69.5 | 22% | 0.215 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -7.6 | 179.3 | -67 | -173.2 | -61.5 | 98.7 | -0.2 | 113.8 | S79 T98 A99 D104 | S79-R81 PolarHBondContact O-N 3.03Å; R81-T98 WeakPolarHBondContact CB-O 2.94Å; R81-T98 WeakPolarHBondContact CD-O 3.23Å; R81-T98 PolarHBondContact NH1-O 3.31Å; R81-T98 PolarHBondContact O-N 3.25Å; R81-T98 PolarHBondContact O-OG1 3.12Å; R81-A99 WeakPolarHBondContact CD-O 3.36Å; R81-A99 PolarHBondContact NH1-O 3.1Å; R81-D104 IonicContact CZ-OD1 3.24Å; R81-D104 IonicContact CZ-OD2 3.74Å; R81-D104 VanDerWaalsContact CZ-OD2 3.24Å; R81-D104 IonicContact NH1-OD1 2.69Å; R81-D104 IonicContact NH1-OD2 2.88Å; R81-D104 PolarHBondContact NH1-OD2 3.4Å; R81-D104 VanDerWaalsContact NH2-CG 3.27Å; R81-D104 IonicContact NH2-OD1 2.9Å; R81-D104 PolarHBondContact NH2-OD1 2.78Å; R81-D104 IonicContact NH2-OD2 2.67Å; R81-D104 PolarHBondContact NH2-OD2 2.96Å |
| 82 | L | 98.4 | Very high | 97.6 | Very high | 26 Ų | 26 | 69.5 Ų | 69.5 | 14% | 0.136 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 137.9 | 179.9 | -65.4 | 83.7 | 0 | 0 | 0 | 110.1 | L67 F68 K78 S79 G80 L95 N96 I97 Y108 | L67-L82 HydrophobicContact CD1-CD2 3.83Å; L67-L82 HydrophobicContact CD2-CD2 4.13Å; F68-L82 HydrophobicContact CE2-CB 3.92Å; F68-L82 HydrophobicContact CZ-CB 4.09Å; K78-L82 WeakPolarHBondContact CA-O 3.42Å; K78-L82 WeakPolarHBondContact CG-O 3.14Å; S79-L82 PolarHBondContact N-O 2.84Å; S79-L82 PolarHBondContact O-N 2.71Å; G80-L82 VanDerWaalsContact C-N 3.35Å; L82-L95 HydrophobicContact CD2-CD1 4.43Å; L82-N96 CarbonylContact C-O 3.58Å; L82-N96 VanDerWaalsContact CA-O 3.24Å; L82-N96 WeakPolarHBondContact CA-O 3.38Å; L82-I97 HydrophobicContact CD2-CG1 4.46Å; L82-I97 HydrophobicContact CG-CG1 4.27Å; L82-Y108 HydrophobicContact CD2-CE1 4.32Å |
| 83 | S | 98.6 | Very high | 97.7 | Very high | 11 Ų | 11 | 66.8 Ų | 66.8 | 8% | 0.077 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 155 | 166.2 | 75.7 | 0 | 0 | 0 | 0 | 111.4 | E76 K77 L95 N96 | E76-S83 VanDerWaalsContact OE1-CB 3.24Å; E76-S83 WeakPolarHBondContact OE1-CB 3.39Å; E76-S83 PolarHBondContact OE1-OG 3.39Å; K77-S83 CarbonylContact O-C 3.39Å; K77-S83 WeakPolarHBondContact O-CA 3.44Å; K77-S83 WeakPolarHBondContact O-CB 3.17Å; S83-L95 CarbonylContact O-C 3.55Å; S83-L95 WeakPolarHBondContact O-CA 3.31Å; S83-N96 PolarHBondContact N-O 2.91Å; S83-N96 PolarHBondContact O-N 3.48Å |
| 84 | S | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.007 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 144.2 | 177.3 | -174.7 | 0 | 0 | 0 | 0 | 111.5 | W56 L70 E76 K77 S93 I94 | W56-S84 PolarHBondContact NE1-OG 2.84Å; L70-S84 VanDerWaalsContact CD1-OG 3.26Å; L70-S84 WeakPolarHBondContact CD1-OG 3.49Å; L70-S84 WeakPolarHBondContact CD2-O 3.32Å; E76-S84 WeakPolarHBondContact CA-O 3.43Å; K77-S84 PolarHBondContact N-O 3.42Å; K77-S84 PolarHBondContact O-N 2.8Å; S84-S93 PolarHBondContact OG-OG 3.18Å; S84-I94 WeakPolarHBondContact CA-O 3.48Å; S84-I94 VanDerWaalsContact CB-O 3.28Å; S84-I94 WeakPolarHBondContact CB-O 3.45Å; S84-I94 PolarHBondContact OG-O 3.38Å |
| 85 | I | 98.5 | Very high | 97.8 | Very high | 56 Ų | 56 | 63 Ų | 63 | 29% | 0.287 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 147.7 | 178 | -170.2 | 165.8 | 0 | 0 | 0 | 109.2 | S93 I94 | I85-S93 CarbonylContact O-C 3.57Å; I85-S93 WeakPolarHBondContact O-CA 3.28Å; I85-S93 VanDerWaalsContact O-CB 3.32Å; I85-S93 WeakPolarHBondContact O-CB 3.41Å; I85-S93 PolarHBondContact O-OG 3.27Å; I85-I94 HydrophobicContact CG2-CB 4.08Å; I85-I94 PolarHBondContact N-O 2.95Å; I85-I94 VanDerWaalsContact N-O 3.14Å; I85-I94 PolarHBondContact O-N 3.38Å |
| 86 | L | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 134.8 | 176 | 172.4 | 69.4 | 0 | 0 | 0 | 108.9 | Y46 F51 L54 L70 S73 G74 K88 | Y46-L86 HydrophobicContact CE1-CD1 3.87Å; F51-L86 HydrophobicContact CE1-CD2 3.9Å; F51-L86 HydrophobicContact CE2-CD1 4.4Å; F51-L86 HydrophobicContact CZ-CD1 3.98Å; F51-L86 HydrophobicContact CZ-CD2 3.62Å; F51-L86 HydrophobicContact CZ-CG 4.47Å; L54-L86 HydrophobicContact CB-CD1 4.19Å; L54-L86 HydrophobicContact CD1-CD1 4.13Å; L70-L86 HydrophobicContact CB-CB 3.78Å; L70-L86 HydrophobicContact CB-CD2 4.07Å; L70-L86 HydrophobicContact CD2-CB 4.29Å; L70-L86 HydrophobicContact CG-CB 4.47Å; S73-L86 CarbonylContact C-O 3.55Å; S73-L86 VanDerWaalsContact CA-O 3.31Å; S73-L86 WeakPolarHBondContact CA-O 3.34Å; S73-L86 PolarHBondContact OG-O 2.81Å; G74-L86 PolarHBondContact N-O 2.96Å; L86-K88 HydrophobicContact CD2-CD 4.4Å; L86-K88 HydrophobicContact CD2-CG 3.72Å; L86-K88 HydrophobicContact CG-CG 3.96Å |
| 87 | D | 97.7 | Very high | 97.9 | Very high | 47 Ų | 47 | 55.1 Ų | 55.1 | 25% | 0.251 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 104.3 | 164.3 | -166.7 | -34.9 | 0 | 0 | 0 | 108.9 | S73 K89 E90 L91 F92 | S73-D87 WeakPolarHBondContact OG-CA 3.31Å; D87-K89 VanDerWaalsContact C-N 3.29Å; D87-K89 WeakPolarHBondContact OD1-CA 3.26Å; D87-K89 WeakPolarHBondContact OD1-CB 3.25Å; D87-K89 PolarHBondContact OD1-N 3.37Å; D87-E90 HydrophobicContact CB-CB 4.25Å; D87-E90 PolarHBondContact OD1-N 2.98Å; D87-L91 WeakPolarHBondContact O-CA 3.36Å; D87-L91 PolarHBondContact O-N 3.3Å; D87-F92 HydrophobicContact CB-CD1 4.06Å; D87-F92 HydrophobicContact CB-CE1 3.7Å; D87-F92 HydrophobicContact CB-CE2 4.35Å; D87-F92 HydrophobicContact CB-CZ 3.84Å; D87-F92 PolarHBondContact N-O 3.46Å; D87-F92 PolarHBondContact O-N 3.22Å |
| 88 | K | 96.4 | Very high | 97.9 | Very high | 81 Ų | 81 | 53.8 Ų | 53.8 | 35% | 0.352 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -22.3 | 179.6 | -69.1 | -169.1 | 179.3 | -165.6 | 0 | 113.3 | F51 T71 S73 L86 L91 | F51-K88 HydrophobicContact CD1-CD 4.34Å; F51-K88 HydrophobicContact CE1-CD 4.23Å; F51-K88 VanDerWaalsContact CE1-CE 3.46Å; F51-K88 HydrophobicContact CE1-CG 4.35Å; T71-K88 WeakPolarHBondContact O-CE 3.49Å; T71-K88 PolarHBondContact O-NZ 2.78Å; S73-K88 PolarHBondContact OG-N 2.92Å; L86-K88 HydrophobicContact CD2-CD 4.4Å; L86-K88 HydrophobicContact CD2-CG 3.72Å; L86-K88 HydrophobicContact CG-CG 3.96Å; K88-L91 WeakPolarHBondContact O-CD2 3.44Å |
| 89 | K | 95.6 | Very high | 97.9 | Very high | 171 Ų | 171 | 48.8 Ų | 48.8 | 74% | 0.743 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -45.9 | -178.5 | -179.6 | -169.8 | 168.4 | -157.7 | 0 | 109.6 | D87 L91 | D87-K89 VanDerWaalsContact C-N 3.29Å; D87-K89 WeakPolarHBondContact OD1-CA 3.26Å; D87-K89 WeakPolarHBondContact OD1-CB 3.25Å; D87-K89 PolarHBondContact OD1-N 3.37Å; K89-L91 VanDerWaalsContact C-N 3.26Å |
| 90 | E | 96.8 | Very high | 97.9 | Very high | 109 Ų | 109 | 45.5 Ų | 45.5 | 51% | 0.509 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 2.3 | 179.1 | -56.5 | -58.1 | 140.8 | 0 | 0 | 112.4 | D87 F92 | D87-E90 HydrophobicContact CB-CB 4.25Å; D87-E90 PolarHBondContact OD1-N 2.98Å; E90-F92 HydrophobicContact CB-CD1 3.41Å; E90-F92 VanDerWaalsContact CB-CD1 3.41Å; E90-F92 HydrophobicContact CB-CE1 3.34Å; E90-F92 HydrophobicContact CG-CE1 4.06Å; E90-F92 PolarHBondContact O-N 2.9Å |
| 91 | L | 97.1 | Very high | 97.9 | Very high | 74 Ų | 74 | 47.5 Ų | 47.5 | 39% | 0.387 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 44.1 | 174.7 | -54.1 | 174 | 0 | 0 | 0 | 113.9 | S45 Y46 D87 K88 K89 | S45-L91 CarbonylContact C-O 3.48Å; S45-L91 WeakPolarHBondContact CA-O 3.35Å; Y46-L91 WeakPolarHBondContact CD1-O 3.32Å; Y46-L91 HydrophobicContact CD2-CB 4.44Å; Y46-L91 HydrophobicContact CD2-CD2 4.42Å; Y46-L91 VanDerWaalsContact CE1-C 3.43Å; Y46-L91 HydrophobicContact CE2-CB 4.2Å; Y46-L91 HydrophobicContact CE2-CD2 3.68Å; Y46-L91 PolarHBondContact N-O 2.84Å; Y46-L91 VanDerWaalsContact O-CB 3.31Å; Y46-L91 WeakPolarHBondContact O-CB 3.47Å; D87-L91 WeakPolarHBondContact O-CA 3.36Å; D87-L91 PolarHBondContact O-N 3.3Å; K88-L91 WeakPolarHBondContact O-CD2 3.44Å; K89-L91 VanDerWaalsContact C-N 3.26Å |
| 92 | F | 97.6 | Very high | 97.8 | Very high | 65 Ų | 65 | 50 Ų | 50 | 29% | 0.285 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 162.5 | 177.3 | 77.7 | -92.7 | 0 | 0 | 0 | 113.6 | C44 D87 E90 I94 | C44-F92 CarbonylContact O-C 3.54Å; C44-F92 WeakPolarHBondContact O-CA 3.43Å; C44-F92 WeakPolarHBondContact O-CB 3.43Å; D87-F92 HydrophobicContact CB-CD1 4.06Å; D87-F92 HydrophobicContact CB-CE1 3.7Å; D87-F92 HydrophobicContact CB-CE2 4.35Å; D87-F92 HydrophobicContact CB-CZ 3.84Å; D87-F92 PolarHBondContact N-O 3.46Å; D87-F92 PolarHBondContact O-N 3.22Å; E90-F92 HydrophobicContact CB-CD1 3.41Å; E90-F92 VanDerWaalsContact CB-CD1 3.41Å; E90-F92 HydrophobicContact CB-CE1 3.34Å; E90-F92 HydrophobicContact CG-CE1 4.06Å; E90-F92 PolarHBondContact O-N 2.9Å; F92-I94 HydrophobicContact CD2-CD1 4.39Å; F92-I94 HydrophobicContact CD2-CG1 3.97Å; F92-I94 HydrophobicContact CE2-CD1 3.73Å; F92-I94 HydrophobicContact CE2-CG1 3.78Å |
| 93 | S | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 151.7 | 167.7 | 177.1 | 0 | 0 | 0 | 0 | 110.3 | C44 L54 W56 S84 I85 | C44-S93 PolarHBondContact N-O 2.91Å; C44-S93 PolarHBondContact O-N 2.66Å; L54-S93 VanDerWaalsContact CD1-CB 3.42Å; L54-S93 VanDerWaalsContact CD2-CB 3.5Å; L54-S93 WeakPolarHBondContact CD2-OG 3.49Å; W56-S93 PolarHBondContact NE1-OG 2.89Å; S84-S93 PolarHBondContact OG-OG 3.18Å; I85-S93 CarbonylContact O-C 3.57Å; I85-S93 WeakPolarHBondContact O-CA 3.28Å; I85-S93 VanDerWaalsContact O-CB 3.32Å; I85-S93 WeakPolarHBondContact O-CB 3.41Å; I85-S93 PolarHBondContact O-OG 3.27Å |
| 94 | I | 98.4 | Very high | 97.5 | Very high | 35 Ų | 35 | 51.4 Ų | 51.4 | 18% | 0.179 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 140.5 | 174.8 | -67 | 176.9 | 0 | 0 | 0 | 108.9 | T41 L42 N43 S84 I85 F92 N96 | T41-I94 HydrophobicContact CG2-CG2 3.52Å; L42-I94 CarbonylContact O-C 3.6Å; L42-I94 WeakPolarHBondContact O-CA 3.22Å; N43-I94 WeakPolarHBondContact OD1-CG1 3.37Å; S84-I94 WeakPolarHBondContact CA-O 3.48Å; S84-I94 VanDerWaalsContact CB-O 3.28Å; S84-I94 WeakPolarHBondContact CB-O 3.45Å; S84-I94 PolarHBondContact OG-O 3.38Å; I85-I94 HydrophobicContact CG2-CB 4.08Å; I85-I94 PolarHBondContact N-O 2.95Å; I85-I94 VanDerWaalsContact N-O 3.14Å; I85-I94 PolarHBondContact O-N 3.38Å; F92-I94 HydrophobicContact CD2-CD1 4.39Å; F92-I94 HydrophobicContact CD2-CG1 3.97Å; F92-I94 HydrophobicContact CE2-CD1 3.73Å; F92-I94 HydrophobicContact CE2-CG1 3.78Å; I94-N96 WeakPolarHBondContact CG2-OD1 3.47Å |
| 95 | L | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 117.5 | 162.4 | 178.7 | 68.8 | 0 | 0 | 0 | 108.8 | L42 W56 L67 F68 L82 S83 Y108 | L42-L95 HydrophobicContact CB-CB 4.36Å; L42-L95 HydrophobicContact CD1-CD2 4.32Å; L42-L95 PolarHBondContact N-O 2.82Å; L42-L95 PolarHBondContact O-N 3.31Å; W56-L95 HydrophobicContact CB-CD2 4.48Å; W56-L95 HydrophobicContact CD2-CB 3.71Å; W56-L95 HydrophobicContact CD2-CD2 3.95Å; W56-L95 HydrophobicContact CD2-CG 4.32Å; W56-L95 HydrophobicContact CE3-CB 4Å; W56-L95 HydrophobicContact CE3-CD2 3.69Å; W56-L95 HydrophobicContact CE3-CG 4.45Å; W56-L95 HydrophobicContact CG-CB 4.24Å; W56-L95 HydrophobicContact CG-CD1 4.41Å; W56-L95 HydrophobicContact CG-CD2 4.31Å; W56-L95 HydrophobicContact CH2-CB 4.03Å; W56-L95 HydrophobicContact CZ2-CB 3.76Å; W56-L95 HydrophobicContact CZ3-CB 4.16Å; W56-L95 HydrophobicContact CZ3-CD2 4.2Å; L67-L95 HydrophobicContact CD1-CD1 4.44Å; L67-L95 HydrophobicContact CD1-CD2 3.9Å; F68-L95 HydrophobicContact CD2-CD1 3.83Å; F68-L95 HydrophobicContact CE2-CD1 3.75Å; L82-L95 HydrophobicContact CD2-CD1 4.43Å; S83-L95 CarbonylContact O-C 3.55Å; S83-L95 WeakPolarHBondContact O-CA 3.31Å; L95-Y108 HydrophobicContact CD2-CD1 3.44Å; L95-Y108 VanDerWaalsContact CD2-CD1 3.44Å; L95-Y108 HydrophobicContact CD2-CE1 3.99Å; L95-Y108 HydrophobicContact CD2-CG 4.28Å |
| 96 | N | 98.5 | Very high | 97.3 | Very high | 37 Ų | 37 | 55.4 Ų | 55.4 | 20% | 0.198 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 140.2 | 175.4 | -70.1 | -38.9 | 0 | 0 | 0 | 110.6 | V40 T41 L82 S83 I94 | V40-N96 CarbonylContact O-C 3.52Å; V40-N96 VanDerWaalsContact O-CA 3.3Å; V40-N96 WeakPolarHBondContact O-CA 3.39Å; T41-N96 WeakPolarHBondContact CB-OD1 3.3Å; T41-N96 WeakPolarHBondContact CG2-OD1 3.37Å; T41-N96 PolarHBondContact OG1-OD1 2.97Å; L82-N96 CarbonylContact C-O 3.58Å; L82-N96 VanDerWaalsContact CA-O 3.24Å; L82-N96 WeakPolarHBondContact CA-O 3.38Å; S83-N96 PolarHBondContact N-O 2.91Å; S83-N96 PolarHBondContact O-N 3.48Å; I94-N96 WeakPolarHBondContact CG2-OD1 3.47Å |
| 97 | I | 98.4 | Very high | 97.2 | Very high | 6 Ų | 6 | 60 Ų | 60 | 3% | 0.031 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 113.7 | 172 | -49.4 | 172.8 | 0 | 0 | 0 | 106.5 | T39 V40 L82 T100 Y108 | T39-I97 WeakPolarHBondContact CA-O 3.47Å; V40-I97 HydrophobicContact CB-CB 4.44Å; V40-I97 PolarHBondContact N-O 2.93Å; V40-I97 PolarHBondContact O-N 3.3Å; L82-I97 HydrophobicContact CD2-CG1 4.46Å; L82-I97 HydrophobicContact CG-CG1 4.27Å; I97-T100 HydrophobicContact CG2-CG2 4.13Å; I97-Y108 HydrophobicContact CD1-CE1 3.77Å; I97-Y108 HydrophobicContact CD1-CE2 3.95Å; I97-Y108 VanDerWaalsContact CD1-CZ 3.43Å; I97-Y108 WeakPolarHBondContact CD1-OH 3.31Å |
| 98 | T | 98.2 | Very high | 97.3 | Very high | 57 Ų | 57 | 59 Ų | 59 | 35% | 0.35 | 33% | 0.328 | S | S | . | . | trans | -96.3 | 153.3 | 177.9 | 61.4 | 0 | 0 | 0 | 0 | 111 | T39 R81 T100 | T39-T98 HydrophobicContact CG2-CG2 4.09Å; R81-T98 WeakPolarHBondContact CB-O 2.94Å; R81-T98 WeakPolarHBondContact CD-O 3.23Å; R81-T98 PolarHBondContact NH1-O 3.31Å; R81-T98 PolarHBondContact O-N 3.25Å; R81-T98 PolarHBondContact O-OG1 3.12Å; T98-T100 VanDerWaalsContact C-N 3.33Å; T98-T100 PolarHBondContact O-N 2.95Å | ||
| 99 | A | 97.9 | Very high | 97.3 | Very high | 48 Ų | 48 | 57.8 Ų | 57.8 | 40% | 0.397 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 46 | 57.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D38 R81 | D38-A99 PolarHBondContact O-N 3.42Å; D38-A99 VanDerWaalsContact O-N 3.1Å; R81-A99 WeakPolarHBondContact CD-O 3.36Å; R81-A99 PolarHBondContact NH1-O 3.1Å |
| 100 | T | 97.8 | Very high | 97.4 | Very high | 7 Ų | 7 | 50.3 Ų | 50.3 | 4% | 0.043 | 29% | 0.294 | C | S | . | . | trans | -49 | 145 | -176.5 | 43.7 | 0 | 0 | 0 | 0 | 112.6 | V34 H35 E36 G37 D38 V40 I97 T98 D104 | V34-T100 HydrophobicContact CG2-CG2 4.17Å; H35-T100 PolarHBondContact O-OG1 2.87Å; E36-T100 CarbonylContact C-O 3.43Å; E36-T100 VanDerWaalsContact CA-O 3.25Å; E36-T100 WeakPolarHBondContact CA-O 3.47Å; G37-T100 PolarHBondContact N-O 2.83Å; G37-T100 PolarHBondContact N-OG1 2.98Å; D38-T100 PolarHBondContact N-OG1 2.83Å; D38-T100 WeakPolarHBondContact O-CG2 3.49Å; D38-T100 PolarHBondContact O-N 3.3Å; D38-T100 PolarHBondContact O-OG1 3.49Å; V40-T100 HydrophobicContact CB-CG2 4.42Å; V40-T100 HydrophobicContact CG2-CG2 3.83Å; I97-T100 HydrophobicContact CG2-CG2 4.13Å; T98-T100 VanDerWaalsContact C-N 3.33Å; T98-T100 PolarHBondContact O-N 2.95Å; T100-D104 WeakPolarHBondContact CA-OD2 3.44Å | ||
| 101 | Q | 97.7 | Very high | 97.5 | Very high | 108 Ų | 108 | 46.9 Ų | 46.9 | 51% | 0.505 | 28% | 0.284 | S | S | . | . | trans | -129.9 | 159.5 | 178.5 | -62.4 | 174.4 | 0.8 | 0 | 0 | 109.4 | G103 D104 | Q101-G103 PolarHBondContact O-N 2.7Å; Q101-D104 PolarHBondContact N-OD2 3.28Å; Q101-D104 WeakPolarHBondContact O-CB 3.45Å; Q101-D104 PolarHBondContact O-N 3.2Å | ||
| 102 | T | 95.4 | Very high | 97.4 | Very high | 110 Ų | 110 | 44.8 Ų | 44.8 | 68% | 0.675 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -49.3 | -35.6 | 175.3 | -62.6 | 0 | 0 | 0 | 0 | 112.9 | E36 D104 S105 | E36-T102 WeakPolarHBondContact OE1-CB 3.38Å; E36-T102 PolarHBondContact OE1-N 2.75Å; E36-T102 PolarHBondContact OE1-OG1 2.67Å; T102-D104 PolarHBondContact O-N 3.14Å; T102-S105 WeakPolarHBondContact O-CB 3.47Å; T102-S105 PolarHBondContact O-N 3.44Å |
| 103 | G | 94.4 | Very high | 97.1 | Very high | 49 Ų | 49 | 47.5 Ų | 47.5 | 51% | 0.505 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -66.6 | -12.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | K58 Q101 S105 | K58-G103 PolarHBondContact NZ-O 3.25Å; Q101-G103 PolarHBondContact O-N 2.7Å; G103-S105 VanDerWaalsContact C-N 3.33Å |
| 104 | D | 96.3 | Very high | 97.1 | Very high | 18 Ų | 18 | 49.9 Ų | 49.9 | 10% | 0.096 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -83 | -11 | 176 | -59.8 | -37.5 | 0 | 0 | 0 | 112.8 | R81 T100 Q101 T102 A106 Y108 | R81-D104 IonicContact CZ-OD1 3.24Å; R81-D104 IonicContact CZ-OD2 3.74Å; R81-D104 VanDerWaalsContact CZ-OD2 3.24Å; R81-D104 IonicContact NH1-OD1 2.69Å; R81-D104 IonicContact NH1-OD2 2.88Å; R81-D104 PolarHBondContact NH1-OD2 3.4Å; R81-D104 VanDerWaalsContact NH2-CG 3.27Å; R81-D104 IonicContact NH2-OD1 2.9Å; R81-D104 PolarHBondContact NH2-OD1 2.78Å; R81-D104 IonicContact NH2-OD2 2.67Å; R81-D104 PolarHBondContact NH2-OD2 2.96Å; T100-D104 WeakPolarHBondContact CA-OD2 3.44Å; Q101-D104 PolarHBondContact N-OD2 3.28Å; Q101-D104 WeakPolarHBondContact O-CB 3.45Å; Q101-D104 PolarHBondContact O-N 3.2Å; T102-D104 PolarHBondContact O-N 3.14Å; D104-A106 PolarHBondContact O-N 3.5Å; D104-Y108 WeakPolarHBondContact O-CE2 3.4Å; D104-Y108 PolarHBondContact O-OH 2.74Å; D104-Y108 VanDerWaalsContact O-OH 3.06Å |
| 105 | S | 96.3 | Very high | 97 | Very high | 107 Ų | 107 | 50.6 Ų | 50.6 | 75% | 0.748 | 31% | 0.309 | S | S | * | . | trans | -63.6 | 103.9 | 177.4 | 178 | 0 | 0 | 0 | 0 | 110.9 | T102 G103 | T102-S105 WeakPolarHBondContact O-CB 3.47Å; T102-S105 PolarHBondContact O-N 3.44Å; G103-S105 VanDerWaalsContact C-N 3.33Å | ||
| 106 | A | 97.1 | Very high | 96.9 | Very high | 33 Ų | 33 | 53.4 Ų | 53.4 | 27% | 0.273 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -161.9 | 172.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | K58 E60 D104 Y108 | K58-A106 HydrophobicContact CD-CB 4.23Å; K58-A106 HydrophobicContact CG-CB 3.63Å; E60-A106 HydrophobicContact CG-CB 3.99Å; D104-A106 PolarHBondContact O-N 3.5Å; A106-Y108 HydrophobicContact CB-CE2 4.11Å |
| 107 | I | 97.2 | Very high | 96.8 | Very high | 99 Ų | 99 | 54.4 Ų | 54.4 | 51% | 0.508 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 130.2 | 164.4 | -59.7 | 173.7 | 0 | 0 | 0 | 107.8 | Q59 L109 | Q59-I107 HydrophobicContact CB-CB 4.31Å; Q59-I107 PolarHBondContact N-O 2.96Å; Q59-I107 PolarHBondContact O-N 2.98Å; Q59-I107 VanDerWaalsContact O-N 3.12Å; I107-L109 HydrophobicContact CG2-CD2 3.71Å; I107-L109 HydrophobicContact CG2-CG 4.03Å |
| 108 | Y | 97.9 | Very high | 96.7 | Very high | 26 Ų | 26 | 57.4 Ų | 57.4 | 10% | 0.102 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 130.9 | 173 | -70.9 | -96.4 | 0 | 0 | 0 | 109.1 | Q27 L42 Y57 K58 L67 L82 L95 I97 D104 A106 | Q27-Y108 PolarHBondContact NE2-O 3.46Å; Q27-Y108 PolarHBondContact OE1-O 2.93Å; L42-Y108 VanDerWaalsContact CD1-CB 3.41Å; L42-Y108 HydrophobicContact CD1-CD1 4.21Å; L42-Y108 HydrophobicContact CD1-CD2 3.88Å; L42-Y108 HydrophobicContact CD1-CG 3.57Å; Y57-Y108 WeakPolarHBondContact O-CA 3.39Å; K58-Y108 HydrophobicContact CB-CD1 4.35Å; K58-Y108 HydrophobicContact CB-CE1 4.12Å; K58-Y108 HydrophobicContact CD-CE1 4.26Å; K58-Y108 HydrophobicContact CG-CD1 4.42Å; K58-Y108 HydrophobicContact CG-CE1 3.93Å; L67-Y108 HydrophobicContact CD1-CD1 3.98Å; L67-Y108 HydrophobicContact CD1-CE1 3.98Å; L82-Y108 HydrophobicContact CD2-CE1 4.32Å; L95-Y108 HydrophobicContact CD2-CD1 3.44Å; L95-Y108 VanDerWaalsContact CD2-CD1 3.44Å; L95-Y108 HydrophobicContact CD2-CE1 3.99Å; L95-Y108 HydrophobicContact CD2-CG 4.28Å; I97-Y108 HydrophobicContact CD1-CE1 3.77Å; I97-Y108 HydrophobicContact CD1-CE2 3.95Å; I97-Y108 VanDerWaalsContact CD1-CZ 3.43Å; I97-Y108 WeakPolarHBondContact CD1-OH 3.31Å; D104-Y108 WeakPolarHBondContact O-CE2 3.4Å; D104-Y108 PolarHBondContact O-OH 2.74Å; D104-Y108 VanDerWaalsContact O-OH 3.06Å; A106-Y108 HydrophobicContact CB-CE2 4.11Å |
| 109 | L | 97.9 | Very high | 96.6 | Very high | 54 Ų | 54 | 57.5 Ų | 57.5 | 28% | 0.283 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 132.3 | -174.3 | -59.2 | 171.1 | 0 | 0 | 0 | 110 | W56 Y57 Q59 P64 I107 | W56-L109 CarbonylContact C-O 3.5Å; W56-L109 WeakPolarHBondContact CA-O 3.31Å; Y57-L109 PolarHBondContact N-O 2.98Å; Y57-L109 PolarHBondContact O-N 3.41Å; Q59-L109 HydrophobicContact CB-CD1 4.45Å; P64-L109 HydrophobicContact CB-CD1 4.38Å; P64-L109 HydrophobicContact CG-CD1 4Å; I107-L109 HydrophobicContact CG2-CD2 3.71Å; I107-L109 HydrophobicContact CG2-CG 4.03Å |
| 110 | C | 98.1 | Very high | 96.5 | Very high | 14 Ų | 14 | 58.1 Ų | 58.1 | 10% | 0.095 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 135.9 | 170.6 | 179.7 | 0 | 0 | 0 | 0 | 109.3 | V25 Q27 C44 L55 W56 | V25-C110 HydrophobicContact CG1-CB 4.47Å; Q27-C110 HydrophobicContact CG-CB 4.13Å; C44-C110 HydrophobicContact CB-CB 3.47Å; C44-C110 VanDerWaalsContact CB-CB 3.47Å; C44-C110 WeakPolarHBondContact CB-SG 3.38Å; C44-C110 WeakPolarHBondContact SG-CB 3.19Å; C44-C110 CovalentContact SG-SG 2.02Å; C44-C110 PolarHBondContact SG-SG 2.92Å; L55-C110 CarbonylContact O-C 3.56Å; L55-C110 WeakPolarHBondContact O-CA 3.43Å; W56-C110 HydrophobicContact CD2-CB 4.35Å; W56-C110 HydrophobicContact CE3-CB 4.07Å; W56-C110 HydrophobicContact CH2-CB 4.05Å; W56-C110 HydrophobicContact CZ2-CB 4.31Å; W56-C110 HydrophobicContact CZ3-CB 3.92Å |
| 111 | A | 97.3 | Very high | 96.4 | Very high | 37 Ų | 37 | 62.1 Ų | 62.1 | 31% | 0.306 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 152.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | L54 L55 Y57 | L54-A111 CarbonylContact C-O 3.57Å; L54-A111 WeakPolarHBondContact CA-O 3.37Å; L55-A111 PolarHBondContact N-O 2.67Å; L55-A111 PolarHBondContact O-N 3.42Å; Y57-A111 HydrophobicContact CE2-CB 4.33Å |
| 112 | V | 96.3 | Very high | 96.3 | Very high | 31 Ų | 31 | 58.3 Ų | 58.3 | 19% | 0.188 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 139 | 177.4 | -179.2 | 0 | 0 | 0 | 0 | 108.4 | V25 Y46 V48 F51 S53 L54 | V25-V112 HydrophobicContact CG2-CB 4.18Å; V25-V112 HydrophobicContact CG2-CG2 3.84Å; Y46-V112 HydrophobicContact CD1-CG2 4.22Å; Y46-V112 HydrophobicContact CD2-CG1 4.43Å; Y46-V112 HydrophobicContact CG-CG2 3.97Å; V48-V112 HydrophobicContact CB-CG1 4.39Å; V48-V112 HydrophobicContact CG1-CB 4.31Å; V48-V112 HydrophobicContact CG1-CG1 3.87Å; V48-V112 HydrophobicContact CG2-CG1 3.67Å; F51-V112 HydrophobicContact CD2-CG1 3.49Å; F51-V112 VanDerWaalsContact CD2-CG1 3.49Å; F51-V112 HydrophobicContact CE2-CG1 3.73Å; S53-V112 WeakPolarHBondContact O-CA 3.2Å; L54-V112 HydrophobicContact CD1-CG2 4.07Å; L54-V112 HydrophobicContact CG-CG2 4.25Å |
| 113 | E | 91.6 | Very high | 96.4 | Very high | 121 Ų | 121 | 53.5 Ų | 53.5 | 57% | 0.565 | 33% | 0.333 | S | S | * | . | trans | -118.4 | 0 | 175.5 | -68.1 | 178.3 | 168.3 | 0 | 0 | 111.3 | F51 R52 S53 L55 | F51-E113 CarbonylContact C-O 3.56Å; R52-E113 WeakPolarHBondContact CA-O 3.33Å; R52-E113 HydrophobicContact CB-CB 4.39Å; R52-E113 WeakPolarHBondContact CB-O 3.48Å; R52-E113 PolarHBondContact N-O 2.92Å; S53-E113 PolarHBondContact N-O 2.82Å; S53-E113 PolarHBondContact O-N 2.02Å; S53-E113 PolarHBondContact OG-OE2 2.74Å; L55-E113 HydrophobicContact CD1-CG 3.72Å |
Retrieved 113 of 113 residues in 133.2 ms
(Link to these results)