| 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 | 46.4 | Very low | 49.8 | Very low | 246 Ų | 246 | 151 Ų | 151 | 100% | 1.212 | 81% | 0.813 | S | S | * | * | 0 | 125.6 | 0 | -76.2 | 172.5 | 165.5 | 0 | 0 | 105.3 | |||||
| 2 | A | 43.9 | Very low | 50.6 | Low | 97 Ų | 97 | 149.4 Ų | 149.4 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | trans | -64 | 137.3 | -163.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E4 | A2-E4 PolarHBondContact O-N 2.61Å; A2-E4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | D | 48.7 | Very low | 51.5 | Low | 159 Ų | 159 | 143.5 Ų | 143.5 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | trans | -62.8 | 107.8 | 164.4 | -68.3 | -54.8 | 0 | 0 | 0 | 108.4 | V5 | D3-V5 PolarHBondContact O-N 2.89Š| ||
| 4 | E | 53.7 | Low | 52.7 | Low | 183 Ų | 183 | 138.4 Ų | 138.4 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | trans | -72.5 | 101 | 167.9 | -76.3 | 179.3 | 150.5 | 0 | 0 | 108.1 | A2 E6 | A2-E4 PolarHBondContact O-N 2.61Å; A2-E4 VanDerWaalsContact O-N 3.16Å; E4-E6 PolarHBondContact O-N 2.9Å; E4-E6 VanDerWaalsContact O-N 3.13Å | ||
| 5 | V | 51.2 | Low | 54.2 | Low | 130 Ų | 130 | 139.6 Ų | 139.6 | 79% | 0.788 | 75% | 0.75 | S | S | * | * | trans | -72.1 | 100.6 | 168.3 | -176.5 | 0 | 0 | 0 | 0 | 107.1 | D3 Q7 | D3-V5 PolarHBondContact O-N 2.89Å; V5-Q7 PolarHBondContact O-N 2.86Å | ||
| 6 | E | 50.8 | Low | 56.1 | Low | 168 Ų | 168 | 138.4 Ų | 138.4 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | trans | -56.6 | 107.2 | 172.2 | -73.8 | -177.4 | 158.1 | 0 | 0 | 109.9 | E4 Q8 | E4-E6 PolarHBondContact O-N 2.9Å; E4-E6 VanDerWaalsContact O-N 3.13Å; E6-Q8 PolarHBondContact O-N 3.35Å | ||
| 7 | Q | 51 | Low | 57.6 | Low | 182 Ų | 182 | 136.9 Ų | 136.9 | 85% | 0.85 | 74% | 0.739 | S | S | * | * | trans | -70.2 | 95.5 | 164.6 | -78 | 175.6 | -19.1 | 0 | 0 | 107.8 | V5 T9 | V5-Q7 PolarHBondContact O-N 2.86Å; Q7-T9 PolarHBondContact O-N 3.39Å | ||
| 8 | Q | 50.6 | Low | 59.1 | Low | 168 Ų | 168 | 132.4 Ų | 132.4 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | trans | -63 | 100.8 | 168.9 | -80.4 | -179.5 | -18.9 | 0 | 0 | 109.1 | E6 T10 | E6-Q8 PolarHBondContact O-N 3.35Å; Q8-T10 PolarHBondContact O-N 3.43Å | ||
| 9 | T | 46.8 | Very low | 60.3 | Low | 131 Ų | 131 | 127.6 Ų | 127.6 | 80% | 0.804 | 69% | 0.688 | S | S | * | * | trans | -60.8 | 101.5 | 164.9 | -38.6 | 0 | 0 | 0 | 0 | 106.7 | Q7 T11 | Q7-T9 PolarHBondContact O-N 3.39Å; T9-T11 PolarHBondContact O-N 3.2Å | ||
| 10 | T | 53 | Low | 61.3 | Low | 94 Ų | 94 | 126.1 Ų | 126.1 | 58% | 0.577 | 68% | 0.679 | S | S | * | * | trans | -65.2 | 97.6 | 178.2 | 48.2 | 0 | 0 | 0 | 0 | 108.5 | Q8 N12 | Q8-T10 PolarHBondContact O-N 3.43Å; T10-N12 PolarHBondContact O-N 2.76Å | ||
| 11 | T | 51.8 | Low | 62.4 | Low | 103 Ų | 103 | 120.7 Ų | 120.7 | 63% | 0.632 | 65% | 0.65 | S | S | * | * | trans | -56.7 | 126.5 | 164.6 | 44.6 | 0 | 0 | 0 | 0 | 107.5 | T9 T13 | T9-T11 PolarHBondContact O-N 3.2Å; T11-T13 PolarHBondContact O-N 2.91Å; T11-T13 PolarHBondContact OG1-OG1 3.34Å | ||
| 12 | N | 59.3 | Low | 64.4 | Low | 132 Ų | 132 | 115.5 Ų | 115.5 | 71% | 0.706 | 62% | 0.617 | S | S | * | * | trans | -70.1 | 49.5 | 174.7 | -74.6 | -25.2 | 0 | 0 | 0 | 111.1 | T10 | T10-N12 PolarHBondContact O-N 2.76Š| ||
| 13 | T | 62.4 | Low | 66.4 | Low | 72 Ų | 72 | 115.1 Ų | 115.1 | 44% | 0.442 | 60% | 0.6 | S | S | . | * | trans | -85.1 | 115.6 | 168.2 | 44 | 0 | 0 | 0 | 0 | 106.6 | T11 E15 | T11-T13 PolarHBondContact O-N 2.91Å; T11-T13 PolarHBondContact OG1-OG1 3.34Å; T13-E15 PolarHBondContact O-N 3.37Å; T13-E15 VanDerWaalsContact O-N 3.11Å; T13-E15 PolarHBondContact OG1-OE1 2.83Å | ||
| 14 | V | 67.6 | Low | 68.2 | Low | 72 Ų | 72 | 108 Ų | 108 | 44% | 0.436 | 56% | 0.564 | S | S | . | * | trans | -73.8 | 99.8 | 171.3 | 176.8 | 0 | 0 | 0 | 0 | 106.3 | D19 L20 L23 | V14-D19 HydrophobicContact CG1-CB 4.41Å; V14-L20 HydrophobicContact CB-CD2 4.27Å; V14-L20 HydrophobicContact CG1-CD1 4.25Å; V14-L20 HydrophobicContact CG1-CD2 3.63Å; V14-L20 HydrophobicContact CG1-CG 3.54Å; V14-L20 HydrophobicContact CG2-CD2 3.66Å; V14-L20 HydrophobicContact CG2-CG 4.4Å; V14-L23 HydrophobicContact CG2-CD1 3.87Å | ||
| 15 | E | 75.9 | Confident | 70.1 | Confident | 157 Ų | 157 | 102.7 Ų | 102.7 | 73% | 0.734 | 54% | 0.54 | S | S | * | . | trans | -99.5 | -35.5 | -179.8 | -65.7 | -172.1 | -175.7 | 0 | 0 | 110.7 | T13 D19 | T13-E15 PolarHBondContact O-N 3.37Å; T13-E15 VanDerWaalsContact O-N 3.11Å; T13-E15 PolarHBondContact OG1-OE1 2.83Å; E15-D19 PolarHBondContact N-OD2 2.87Å | ||
| 16 | E | 84.1 | Confident | 72.1 | Confident | 120 Ų | 120 | 101.8 Ų | 101.8 | 56% | 0.561 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -117.8 | 154.3 | 177.5 | -62.5 | -171 | 174 | 0 | 0 | 112.7 | L18 D19 | E16-L18 PolarHBondContact O-N 2.8Å; E16-L18 VanDerWaalsContact O-N 3.12Å; E16-D19 PolarHBondContact N-OD2 2.85Å; E16-D19 WeakPolarHBondContact O-CB 3.46Å; E16-D19 PolarHBondContact O-N 2.89Å |
| 17 | P | 81.9 | Confident | 74.1 | Confident | 114 Ų | 114 | 97.7 Ų | 97.7 | 74% | 0.74 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -55.9 | -30 | 174.5 | -25.4 | 34.4 | 0 | 0 | 0 | 113.6 | D19 L20 | P17-D19 VanDerWaalsContact C-N 3.29Å; P17-D19 PolarHBondContact O-N 2.9Å; P17-L20 PolarHBondContact O-N 2.98Å |
| 18 | L | 84.6 | Confident | 76.2 | Confident | 56 Ų | 56 | 97.1 Ų | 97.1 | 29% | 0.293 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -75.6 | -14.3 | 176.9 | -67.6 | 177.3 | 0 | 0 | 0 | 113.3 | E16 L20 I21 R22 Y46 L50 | E16-L18 PolarHBondContact O-N 2.8Å; E16-L18 VanDerWaalsContact O-N 3.12Å; L18-L20 VanDerWaalsContact C-N 3.3Å; L18-I21 HydrophobicContact CD2-CG2 4.23Å; L18-I21 VanDerWaalsContact O-CG2 3.22Å; L18-I21 WeakPolarHBondContact O-CG2 3.5Å; L18-R22 PolarHBondContact O-N 2.91Å; L18-Y46 HydrophobicContact CD2-CE2 4.48Å; L18-Y46 PolarHBondContact O-OH 2.87Å; L18-Y46 VanDerWaalsContact O-OH 3.07Å; L18-L50 HydrophobicContact CD2-CD2 4.27Å |
| 19 | D | 82.8 | Confident | 78.3 | Confident | 40 Ų | 40 | 89.3 Ų | 89.3 | 21% | 0.214 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -72.7 | -29.8 | 173.3 | -63.7 | -35.6 | 0 | 0 | 0 | 111 | V14 E15 E16 P17 R22 L23 | V14-D19 HydrophobicContact CG1-CB 4.41Å; E15-D19 PolarHBondContact N-OD2 2.87Å; E16-D19 PolarHBondContact N-OD2 2.85Å; E16-D19 WeakPolarHBondContact O-CB 3.46Å; E16-D19 PolarHBondContact O-N 2.89Å; P17-D19 VanDerWaalsContact C-N 3.29Å; P17-D19 PolarHBondContact O-N 2.9Å; D19-R22 VanDerWaalsContact O-CB 3.24Å; D19-R22 WeakPolarHBondContact O-CB 3.21Å; D19-R22 PolarHBondContact O-N 2.91Å; D19-L23 WeakPolarHBondContact O-CG 3.44Å; D19-L23 PolarHBondContact O-N 2.92Å; D19-L23 VanDerWaalsContact O-N 3.11Å |
| 20 | L | 79.3 | Confident | 80.6 | Confident | 98 Ų | 98 | 85.7 Ų | 85.7 | 51% | 0.513 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 174.9 | -69.8 | 172.6 | 0 | 0 | 0 | 112.3 | V14 P17 L18 R22 L23 S24 | V14-L20 HydrophobicContact CB-CD2 4.27Å; V14-L20 HydrophobicContact CG1-CD1 4.25Å; V14-L20 HydrophobicContact CG1-CD2 3.63Å; V14-L20 HydrophobicContact CG1-CG 3.54Å; V14-L20 HydrophobicContact CG2-CD2 3.66Å; V14-L20 HydrophobicContact CG2-CG 4.4Å; P17-L20 PolarHBondContact O-N 2.98Å; L18-L20 VanDerWaalsContact C-N 3.3Å; L20-R22 VanDerWaalsContact C-N 3.28Å; L20-L23 PolarHBondContact O-N 2.76Å; L20-S24 PolarHBondContact O-OG 2.77Å |
| 21 | I | 85.5 | Confident | 82.7 | Confident | 13 Ų | 13 | 81.2 Ų | 81.2 | 7% | 0.067 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -71.4 | -29.5 | 177.4 | -159.6 | 176.4 | 0 | 0 | 0 | 110.7 | L18 L23 S24 L43 Y46 L50 M52 V95 | L18-I21 HydrophobicContact CD2-CG2 4.23Å; L18-I21 VanDerWaalsContact O-CG2 3.22Å; L18-I21 WeakPolarHBondContact O-CG2 3.5Å; I21-L23 VanDerWaalsContact C-N 3.31Å; I21-L23 PolarHBondContact O-N 3.02Å; I21-S24 WeakPolarHBondContact O-CA 3.47Å; I21-S24 WeakPolarHBondContact O-CB 3.28Å; I21-S24 PolarHBondContact O-N 2.73Å; I21-L43 HydrophobicContact CD1-CD2 4.24Å; I21-L43 HydrophobicContact CG1-CD2 3.73Å; I21-Y46 HydrophobicContact CG2-CD1 4.38Å; I21-Y46 HydrophobicContact CG2-CD2 3.85Å; I21-Y46 HydrophobicContact CG2-CE1 3.99Å; I21-Y46 HydrophobicContact CG2-CE2 3.38Å; I21-Y46 HydrophobicContact CG2-CG 4.33Å; I21-Y46 VanDerWaalsContact CG2-CZ 3.48Å; I21-L50 HydrophobicContact CD1-CD2 4.16Å; I21-M52 HydrophobicContact CD1-CE 4.19Å; I21-V95 HydrophobicContact CD1-CB 4.26Å; I21-V95 HydrophobicContact CD1-CG1 3.85Å; I21-V95 HydrophobicContact CD1-CG2 4.09Å; I21-V95 HydrophobicContact CG1-CG1 4.26Å |
| 22 | R | 86.6 | Confident | 84.8 | Confident | 137 Ų | 137 | 80.1 Ų | 80.1 | 52% | 0.517 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.7 | -40.9 | 171.7 | -158.6 | 175.9 | 171.3 | 179 | -3 | 112.5 | L18 D19 L20 S24 L25 Y46 | L18-R22 PolarHBondContact O-N 2.91Å; D19-R22 VanDerWaalsContact O-CB 3.24Å; D19-R22 WeakPolarHBondContact O-CB 3.21Å; D19-R22 PolarHBondContact O-N 2.91Å; L20-R22 VanDerWaalsContact C-N 3.28Å; R22-S24 PolarHBondContact O-N 2.85Å; R22-L25 HydrophobicContact CG-CD1 4.11Å; R22-L25 WeakPolarHBondContact O-CB 3.2Å; R22-L25 WeakPolarHBondContact O-CG 3.34Å; R22-L25 PolarHBondContact O-N 3.45Å; R22-Y46 WeakPolarHBondContact CA-OH 3.49Å; R22-Y46 HydrophobicContact CB-CE1 4.48Å; R22-Y46 WeakPolarHBondContact CB-OH 3.2Å; R22-Y46 PolarHBondContact N-OH 3.41Å |
| 23 | L | 86.1 | Confident | 86.6 | Confident | 88 Ų | 88 | 75.7 Ų | 75.7 | 46% | 0.461 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -17.2 | 175.9 | -66.1 | 173.3 | 0 | 0 | 0 | 112.9 | V14 D19 L20 I21 | V14-L23 HydrophobicContact CG2-CD1 3.87Å; D19-L23 WeakPolarHBondContact O-CG 3.44Å; D19-L23 PolarHBondContact O-N 2.92Å; D19-L23 VanDerWaalsContact O-N 3.11Å; L20-L23 PolarHBondContact O-N 2.76Å; I21-L23 VanDerWaalsContact C-N 3.31Å; I21-L23 PolarHBondContact O-N 3.02Å |
| 24 | S | 88.1 | Confident | 88.1 | Confident | 11 Ų | 11 | 79.9 Ų | 79.9 | 8% | 0.077 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 9.8 | 179.5 | -50.3 | 0 | 0 | 0 | 0 | 113 | L20 I21 R22 E27 | L20-S24 PolarHBondContact O-OG 2.77Å; I21-S24 WeakPolarHBondContact O-CA 3.47Å; I21-S24 WeakPolarHBondContact O-CB 3.28Å; I21-S24 PolarHBondContact O-N 2.73Å; R22-S24 PolarHBondContact O-N 2.85Å; S24-E27 WeakPolarHBondContact O-CB 3.23Å; S24-E27 PolarHBondContact O-N 2.86Å; S24-E27 VanDerWaalsContact O-N 3.17Å |
| 25 | L | 92.4 | Very high | 89.3 | Confident | 70 Ų | 70 | 82.9 Ų | 82.9 | 37% | 0.366 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 138.1 | 173.2 | -79.5 | 169 | 0 | 0 | 0 | 110.7 | R22 E27 L43 Y46 | R22-L25 HydrophobicContact CG-CD1 4.11Å; R22-L25 WeakPolarHBondContact O-CB 3.2Å; R22-L25 WeakPolarHBondContact O-CG 3.34Å; R22-L25 PolarHBondContact O-N 3.45Å; L25-E27 PolarHBondContact O-N 2.84Å; L25-L43 HydrophobicContact CD2-CD2 4.33Å; L25-L43 HydrophobicContact CD2-CG 4.25Å; L25-Y46 HydrophobicContact CD1-CE1 4.33Å; L25-Y46 HydrophobicContact CD2-CD1 4.07Å; L25-Y46 HydrophobicContact CD2-CE1 4.2Å; L25-Y46 HydrophobicContact CG-CE1 4.24Å |
| 26 | D | 93.3 | Very high | 90.1 | Very high | 112 Ų | 112 | 80 Ų | 80 | 60% | 0.599 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 8.2 | -172.2 | -154 | 38.9 | 0 | 0 | 0 | 115 | R42 L43 | D26-R42 VanDerWaalsContact O-CD 3.31Å; D26-R42 WeakPolarHBondContact O-CD 3.47Å; D26-R42 WeakPolarHBondContact O-CG 3.49Å; D26-R42 WeakPolarHBondContact OD1-CD 3.42Å; D26-R42 IonicContact OD1-CZ 3.88Å; D26-R42 IonicContact OD1-NE 2.73Å; D26-R42 PolarHBondContact OD1-NE 3.27Å; D26-L43 PolarHBondContact N-O 3.27Å |
| 27 | E | 93.6 | Very high | 90.6 | Very high | 82 Ų | 82 | 78.8 Ų | 78.8 | 38% | 0.383 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -100.3 | 161.3 | 172.1 | -59.5 | -163.8 | 149.7 | 0 | 0 | 112.3 | S24 L25 I29 R42 L43 P98 | S24-E27 WeakPolarHBondContact O-CB 3.23Å; S24-E27 PolarHBondContact O-N 2.86Å; S24-E27 VanDerWaalsContact O-N 3.17Å; L25-E27 PolarHBondContact O-N 2.84Å; E27-I29 PolarHBondContact O-N 2.85Å; E27-R42 CarbonylContact O-C 3.5Å; E27-R42 WeakPolarHBondContact O-CA 3.41Å; E27-L43 PolarHBondContact O-N 3.03Å; E27-P98 HydrophobicContact CB-CG 3.74Å; E27-P98 HydrophobicContact CG-CG 4.48Å; E27-P98 WeakPolarHBondContact OE2-CD 3.24Å; E27-P98 WeakPolarHBondContact OE2-CG 3.41Å |
| 28 | R | 94.2 | Very high | 91.3 | Very high | 170 Ų | 170 | 75.6 Ų | 75.6 | 64% | 0.642 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 112.7 | 174.9 | -89.9 | -175 | 156.6 | -167.1 | -7.2 | 111.3 | G41 P98 | R28-G41 CarbonylContact C-O 3.5Å; R28-G41 WeakPolarHBondContact CA-O 3.38Å; R28-P98 VanDerWaalsContact O-CA 3.31Å; R28-P98 WeakPolarHBondContact O-CA 3.44Å; R28-P98 VanDerWaalsContact O-CB 3.3Å; R28-P98 WeakPolarHBondContact O-CB 3.24Å; R28-P98 WeakPolarHBondContact O-CG 3.34Å |
| 29 | I | 94.9 | Very high | 91.9 | Very high | 4 Ų | 4 | 73.2 Ų | 73.2 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 160.6 | 179.9 | 63.6 | 165 | 0 | 0 | 0 | 112.1 | E27 V31 R40 G41 L43 M52 L54 V95 | E27-I29 PolarHBondContact O-N 2.85Å; I29-V31 HydrophobicContact CD1-CG2 3.59Å; I29-V31 HydrophobicContact CG1-CG2 4.07Å; I29-R40 WeakPolarHBondContact O-CA 3.32Å; I29-G41 PolarHBondContact N-O 3.45Å; I29-G41 PolarHBondContact O-N 2.81Å; I29-L43 HydrophobicContact CD1-CB 3.87Å; I29-L43 HydrophobicContact CD1-CD1 3.94Å; I29-L43 HydrophobicContact CD1-CD2 4.2Å; I29-L43 HydrophobicContact CD1-CG 4.21Å; I29-L43 HydrophobicContact CG1-CB 4.09Å; I29-L43 HydrophobicContact CG2-CB 4.22Å; I29-M52 HydrophobicContact CD1-SD 4.26Å; I29-L54 HydrophobicContact CD1-CD2 3.96Å; I29-L54 HydrophobicContact CG1-CD2 4.25Å; I29-V95 HydrophobicContact CB-CG1 4.5Å; I29-V95 HydrophobicContact CD1-CG1 3.94Å |
| 30 | Y | 95.7 | Very high | 92.5 | Very high | 54 Ų | 54 | 77.4 Ų | 77.4 | 21% | 0.212 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 130.1 | 167.7 | 169.6 | -98.6 | 0 | 0 | 0 | 109.6 | K32 E38 R40 L94 V95 A96 | Y30-K32 HydrophobicContact CE1-CB 4.09Å; Y30-E38 HydrophobicContact CE2-CB 3.93Å; Y30-E38 HydrophobicContact CE2-CG 4.05Å; Y30-E38 WeakPolarHBondContact OH-CG 3.41Å; Y30-E38 PolarHBondContact OH-OE1 2.9Å; Y30-R40 HydrophobicContact CD2-CG 3.97Å; Y30-L94 HydrophobicContact CD1-CD2 4.15Å; Y30-L94 HydrophobicContact CE1-CD2 3.8Å; Y30-V95 WeakPolarHBondContact O-CA 3.37Å; Y30-A96 HydrophobicContact CD1-CB 4.12Å; Y30-A96 PolarHBondContact N-O 2.83Å; Y30-A96 PolarHBondContact O-N 3.48Å |
| 31 | V | 96.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 119.7 | 179 | -173.5 | 0 | 0 | 0 | 0 | 109 | I29 E38 L39 M52 L54 V92 L94 V95 | I29-V31 HydrophobicContact CD1-CG2 3.59Å; I29-V31 HydrophobicContact CG1-CG2 4.07Å; V31-E38 CarbonylContact O-C 3.59Å; V31-E38 WeakPolarHBondContact O-CA 3.47Å; V31-L39 HydrophobicContact CB-CB 4.25Å; V31-L39 PolarHBondContact N-O 2.92Å; V31-L39 PolarHBondContact O-N 3.14Å; V31-M52 HydrophobicContact CG2-SD 4.17Å; V31-L54 HydrophobicContact CG2-CD1 4.45Å; V31-V92 HydrophobicContact CG1-CG1 3.92Å; V31-V92 HydrophobicContact CG1-CG2 4.18Å; V31-L94 WeakPolarHBondContact CA-O 3.46Å; V31-V95 HydrophobicContact CG1-CG2 4.46Å; V31-V95 HydrophobicContact CG2-CG2 4.45Å |
| 32 | K | 96.2 | Very high | 93.8 | Very high | 80 Ų | 80 | 76.1 Ų | 76.1 | 35% | 0.348 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 123.7 | 169.1 | -171.5 | 165.9 | -175.5 | 166.3 | 0 | 109 | Y30 V93 L94 | Y30-K32 HydrophobicContact CE1-CB 4.09Å; K32-V93 WeakPolarHBondContact O-CB 3.39Å; K32-V93 PolarHBondContact O-N 3.03Å; K32-L94 HydrophobicContact CB-CB 4.24Å; K32-L94 HydrophobicContact CB-CD2 4.06Å; K32-L94 PolarHBondContact N-O 2.84Å; K32-L94 PolarHBondContact O-N 2.85Å |
| 33 | M | 96.8 | Very high | 94.3 | Very high | 40 Ų | 40 | 69.6 Ų | 69.6 | 20% | 0.197 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 166.8 | 178.5 | -66.8 | -91 | -55.9 | 0 | 0 | 110.1 | R37 L39 V87 G91 V92 | M33-R37 WeakPolarHBondContact CA-O 3.39Å; M33-R37 HydrophobicContact CB-CB 3.84Å; M33-R37 WeakPolarHBondContact CB-O 3.36Å; M33-R37 PolarHBondContact N-O 2.64Å; M33-L39 HydrophobicContact CG-CD1 4.14Å; M33-L39 HydrophobicContact CG-CG 4.3Å; M33-L39 HydrophobicContact SD-CD1 4.25Å; M33-V87 HydrophobicContact CE-CG1 4.36Å; M33-V87 HydrophobicContact SD-CG1 3.65Å; M33-G91 CarbonylContact C-O 3.54Å; M33-G91 VanDerWaalsContact CA-O 3.25Å; M33-G91 WeakPolarHBondContact CA-O 3.16Å; M33-V92 HydrophobicContact SD-CG2 4.14Å |
| 34 | R | 94.8 | Very high | 94.8 | Very high | 159 Ų | 159 | 68 Ų | 68 | 60% | 0.6 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 159.7 | 165.4 | -61.8 | -178 | -170.9 | -144 | 1.2 | 110.7 | D90 G91 V93 | R34-D90 PolarHBondContact NE-O 2.87Å; R34-D90 VanDerWaalsContact NE-O 3.11Å; R34-D90 PolarHBondContact NH2-O 2.76Å; R34-G91 PolarHBondContact N-O 3.19Å; R34-V93 HydrophobicContact CG-CG2 3.65Å |
| 35 | N | 91.8 | Very high | 95.2 | Very high | 136 Ų | 136 | 69.5 Ų | 69.5 | 73% | 0.727 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 40.2 | 177.4 | -48.9 | -33.4 | 0 | 0 | 0 | 114.3 | R37 | N35-R37 WeakPolarHBondContact O-CG 3.31Å; N35-R37 PolarHBondContact O-N 2.9Å; N35-R37 VanDerWaalsContact O-N 3.14Å |
| 36 | D | 92.5 | Very high | 95.3 | Very high | 97 Ų | 97 | 69 Ų | 69 | 52% | 0.519 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 39.5 | 175.3 | -57.5 | -59.6 | 0 | 0 | 0 | 113.5 | T62 | D36-T62 PolarHBondContact O-N 2.88Š|
| 37 | R | 95.1 | Very high | 95.4 | Very high | 94 Ų | 94 | 66.5 Ų | 66.5 | 36% | 0.355 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 141.8 | 175.1 | -69 | -170.6 | -178.5 | -129.7 | 0.2 | 110.9 | M33 N35 E59 T60 V61 | M33-R37 WeakPolarHBondContact CA-O 3.39Å; M33-R37 HydrophobicContact CB-CB 3.84Å; M33-R37 WeakPolarHBondContact CB-O 3.36Å; M33-R37 PolarHBondContact N-O 2.64Å; N35-R37 WeakPolarHBondContact O-CG 3.31Å; N35-R37 PolarHBondContact O-N 2.9Å; N35-R37 VanDerWaalsContact O-N 3.14Å; R37-E59 IonicContact CZ-OE1 2.75Å; R37-E59 IonicContact NH1-OE1 2.76Å; R37-E59 PolarHBondContact NH1-OE1 2.88Å; R37-E59 IonicContact NH1-OE2 2.92Å; R37-T60 WeakPolarHBondContact CA-O 3.46Å; R37-V61 HydrophobicContact CG-CB 4.46Å; R37-V61 HydrophobicContact CG-CG1 4.13Å; R37-V61 HydrophobicContact CG-CG2 4.07Å |
| 38 | E | 96.6 | Very high | 95.3 | Very high | 47 Ų | 47 | 69.8 Ų | 69.8 | 22% | 0.22 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 138.2 | -179.8 | -62.1 | 175.7 | -177.2 | 0 | 0 | 109.1 | Y30 V31 E59 T60 | Y30-E38 HydrophobicContact CE2-CB 3.93Å; Y30-E38 HydrophobicContact CE2-CG 4.05Å; Y30-E38 WeakPolarHBondContact OH-CG 3.41Å; Y30-E38 PolarHBondContact OH-OE1 2.9Å; V31-E38 CarbonylContact O-C 3.59Å; V31-E38 WeakPolarHBondContact O-CA 3.47Å; E38-E59 CarbonylContact O-C 3.59Å; E38-E59 WeakPolarHBondContact O-CA 3.28Å; E38-T60 PolarHBondContact N-O 3.24Å; E38-T60 PolarHBondContact O-N 3.18Å |
| 39 | L | 97 | Very high | 95.3 | Very high | 5 Ų | 5 | 67 Ų | 67 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 137.2 | 175.8 | -56.8 | 172.9 | 0 | 0 | 0 | 109.1 | V31 M33 L54 V57 E58 E59 L85 V87 | V31-L39 HydrophobicContact CB-CB 4.25Å; V31-L39 PolarHBondContact N-O 2.92Å; V31-L39 PolarHBondContact O-N 3.14Å; M33-L39 HydrophobicContact CG-CD1 4.14Å; M33-L39 HydrophobicContact CG-CG 4.3Å; M33-L39 HydrophobicContact SD-CD1 4.25Å; L39-L54 HydrophobicContact CB-CD1 4.23Å; L39-L54 HydrophobicContact CD1-CD1 4.18Å; L39-V57 HydrophobicContact CB-CG1 4.26Å; L39-V57 HydrophobicContact CD2-CG1 4.08Å; L39-E58 WeakPolarHBondContact CA-O 3.5Å; L39-E59 HydrophobicContact CD2-CB 3.61Å; L39-E59 HydrophobicContact CD2-CG 3.72Å; L39-L85 HydrophobicContact CD1-CD2 4.16Å; L39-L85 HydrophobicContact CD2-CD2 4.09Å; L39-V87 HydrophobicContact CD1-CG1 4.25Å; L39-V87 HydrophobicContact CD1-CG2 3.61Å |
| 40 | R | 96.2 | Very high | 95.3 | Very high | 128 Ų | 128 | 69.6 Ų | 69.6 | 48% | 0.483 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 120.5 | 168.5 | -66.8 | 179.5 | -178.6 | -170.4 | -0.4 | 108.2 | I29 Y30 V57 E58 | I29-R40 WeakPolarHBondContact O-CA 3.32Å; Y30-R40 HydrophobicContact CD2-CG 3.97Å; R40-V57 CarbonylContact O-C 3.57Å; R40-V57 WeakPolarHBondContact O-CA 3.44Å; R40-E58 PolarHBondContact N-O 2.83Å; R40-E58 PolarHBondContact O-N 2.93Å |
| 41 | G | 96.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167 | 168.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R28 I29 G55 | R28-G41 CarbonylContact C-O 3.5Å; R28-G41 WeakPolarHBondContact CA-O 3.38Å; I29-G41 PolarHBondContact N-O 3.45Å; I29-G41 PolarHBondContact O-N 2.81Å; G41-G55 CarbonylContact C-O 3.58Å; G41-G55 WeakPolarHBondContact CA-O 3.39Å |
| 42 | R | 96.3 | Very high | 95.4 | Very high | 83 Ų | 83 | 68.5 Ų | 68.5 | 31% | 0.313 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 125.8 | 174.9 | -166.9 | 167.9 | 79.5 | -113.8 | -6 | 109.9 | D26 E27 N44 L54 G55 D56 | D26-R42 VanDerWaalsContact O-CD 3.31Å; D26-R42 WeakPolarHBondContact O-CD 3.47Å; D26-R42 WeakPolarHBondContact O-CG 3.49Å; D26-R42 WeakPolarHBondContact OD1-CD 3.42Å; D26-R42 IonicContact OD1-CZ 3.88Å; D26-R42 IonicContact OD1-NE 2.73Å; D26-R42 PolarHBondContact OD1-NE 3.27Å; E27-R42 CarbonylContact O-C 3.5Å; E27-R42 WeakPolarHBondContact O-CA 3.41Å; R42-N44 PolarHBondContact O-N 3.22Å; R42-L54 CarbonylContact O-C 3.56Å; R42-L54 VanDerWaalsContact O-CA 3.26Å; R42-L54 WeakPolarHBondContact O-CA 3.46Å; R42-G55 PolarHBondContact N-O 2.87Å; R42-G55 PolarHBondContact O-N 3.2Å; R42-D56 IonicContact CZ-OD2 2.75Å; R42-D56 IonicContact NH1-OD2 3.17Å; R42-D56 PolarHBondContact NH1-OD2 3.17Å |
| 43 | L | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 106.9 | 179.6 | -178.7 | 65.2 | 0 | 0 | 0 | 110.6 | I21 L25 D26 E27 I29 Y46 M52 L54 | I21-L43 HydrophobicContact CD1-CD2 4.24Å; I21-L43 HydrophobicContact CG1-CD2 3.73Å; L25-L43 HydrophobicContact CD2-CD2 4.33Å; L25-L43 HydrophobicContact CD2-CG 4.25Å; D26-L43 PolarHBondContact N-O 3.27Å; E27-L43 PolarHBondContact O-N 3.03Å; I29-L43 HydrophobicContact CD1-CB 3.87Å; I29-L43 HydrophobicContact CD1-CD1 3.94Å; I29-L43 HydrophobicContact CD1-CD2 4.2Å; I29-L43 HydrophobicContact CD1-CG 4.21Å; I29-L43 HydrophobicContact CG1-CB 4.09Å; I29-L43 HydrophobicContact CG2-CB 4.22Å; L43-Y46 HydrophobicContact CD2-CD1 4.22Å; L43-M52 HydrophobicContact CD1-CB 4.13Å; L43-M52 HydrophobicContact CD1-CG 4.11Å; L43-M52 HydrophobicContact CD1-SD 4.25Å; L43-L54 HydrophobicContact CB-CD2 4.29Å; L43-L54 HydrophobicContact CD1-CD2 3.73Å |
| 44 | N | 96.4 | Very high | 95.5 | Very high | 55 Ų | 55 | 65.4 Ų | 65.4 | 29% | 0.294 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -36.4 | 179.7 | -66.6 | -10.9 | 0 | 0 | 0 | 112.3 | R42 I53 M84 | R42-N44 PolarHBondContact O-N 3.22Å; N44-I53 HydrophobicContact CB-CB 4.35Å; N44-I53 HydrophobicContact CB-CG2 4.08Å; N44-I53 WeakPolarHBondContact CB-O 3.42Å; N44-I53 PolarHBondContact N-O 2.89Å; N44-M84 PolarHBondContact ND2-SD 3.42Å; N44-M84 VanDerWaalsContact ND2-SD 3.45Å |
| 45 | A | 96.1 | Very high | 95.7 | Very high | 43 Ų | 43 | 57.9 Ų | 57.9 | 36% | 0.355 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 155.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | M52 I53 | A45-M52 VanDerWaalsContact O-CA 3.32Å; A45-M52 WeakPolarHBondContact O-CA 3.26Å; A45-I53 HydrophobicContact CB-CB 4.16Å; A45-I53 HydrophobicContact CB-CG1 4.19Å; A45-I53 PolarHBondContact N-O 3.45Å; A45-I53 PolarHBondContact O-N 2.89Å |
| 46 | Y | 95.8 | Very high | 95.9 | Very high | 59 Ų | 59 | 55.5 Ų | 55.5 | 23% | 0.231 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 169.1 | 169.3 | 72.6 | -77.1 | 0 | 0 | 0 | 111.7 | L18 I21 R22 L25 L43 N51 | L18-Y46 HydrophobicContact CD2-CE2 4.48Å; L18-Y46 PolarHBondContact O-OH 2.87Å; L18-Y46 VanDerWaalsContact O-OH 3.07Å; I21-Y46 HydrophobicContact CG2-CD1 4.38Å; I21-Y46 HydrophobicContact CG2-CD2 3.85Å; I21-Y46 HydrophobicContact CG2-CE1 3.99Å; I21-Y46 HydrophobicContact CG2-CE2 3.38Å; I21-Y46 HydrophobicContact CG2-CG 4.33Å; I21-Y46 VanDerWaalsContact CG2-CZ 3.48Å; R22-Y46 WeakPolarHBondContact CA-OH 3.49Å; R22-Y46 HydrophobicContact CB-CE1 4.48Å; R22-Y46 WeakPolarHBondContact CB-OH 3.2Å; R22-Y46 PolarHBondContact N-OH 3.41Å; L25-Y46 HydrophobicContact CD1-CE1 4.33Å; L25-Y46 HydrophobicContact CD2-CD1 4.07Å; L25-Y46 HydrophobicContact CD2-CE1 4.2Å; L25-Y46 HydrophobicContact CG-CE1 4.24Å; L43-Y46 HydrophobicContact CD2-CD1 4.22Å; Y46-N51 CarbonylContact C-O 3.59Å; Y46-N51 WeakPolarHBondContact CA-O 3.4Å; Y46-N51 WeakPolarHBondContact CB-O 3.47Å |
| 47 | D | 94.4 | Very high | 96.2 | Very high | 60 Ų | 60 | 50.9 Ų | 50.9 | 32% | 0.321 | 24% | 0.24 | S | C | . | . | trans | -129.8 | -179.4 | 172.3 | 70.6 | 12.8 | 0 | 0 | 0 | 112.6 | H49 L50 N51 | D47-H49 PolarHBondContact O-N 3.32Å; D47-H49 VanDerWaalsContact O-N 3.16Å; D47-H49 WeakPolarHBondContact OD1-CA 3.31Å; D47-H49 WeakPolarHBondContact OD1-CB 3.39Å; D47-H49 PolarHBondContact OD1-N 2.88Å; D47-L50 PolarHBondContact O-N 2.84Å; D47-L50 PolarHBondContact OD1-N 2.91Å; D47-N51 PolarHBondContact N-O 2.84Å; D47-N51 WeakPolarHBondContact OD1-CB 3.36Å; D47-N51 PolarHBondContact OD1-N 2.83Å; D47-N51 PolarHBondContact OD1-ND2 3.33Å; D47-N51 PolarHBondContact OD2-ND2 3.35Å | ||
| 48 | Q | 92.3 | Very high | 96.3 | Very high | 151 Ų | 151 | 49 Ų | 49 | 71% | 0.706 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -20 | 178.3 | 70.5 | -166.7 | -1 | 0 | 0 | 114.4 | L50 | Q48-L50 VanDerWaalsContact C-N 3.3Š|
| 49 | H | 94.3 | Very high | 96.3 | Very high | 112 Ų | 112 | 47.7 Ų | 47.7 | 52% | 0.519 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -0.6 | 177.6 | -59.5 | -65.1 | 0 | 0 | 0 | 111.9 | D47 N51 G89 | D47-H49 PolarHBondContact O-N 3.32Å; D47-H49 VanDerWaalsContact O-N 3.16Å; D47-H49 WeakPolarHBondContact OD1-CA 3.31Å; D47-H49 WeakPolarHBondContact OD1-CB 3.39Å; D47-H49 PolarHBondContact OD1-N 2.88Å; H49-N51 PolarHBondContact O-N 2.88Å; H49-G89 VanDerWaalsContact O-CA 3.29Å; H49-G89 WeakPolarHBondContact O-CA 3.38Å |
| 50 | L | 94.6 | Very high | 96.2 | Very high | 57 Ų | 57 | 48.1 Ų | 48.1 | 30% | 0.298 | 23% | 0.233 | S | C | . | . | trans | 62.7 | 26.8 | -170.4 | -64.2 | 148.3 | 0 | 0 | 0 | 112.7 | L18 I21 D47 Q48 M52 G89 | L18-L50 HydrophobicContact CD2-CD2 4.27Å; I21-L50 HydrophobicContact CD1-CD2 4.16Å; D47-L50 PolarHBondContact O-N 2.84Å; D47-L50 PolarHBondContact OD1-N 2.91Å; Q48-L50 VanDerWaalsContact C-N 3.3Å; L50-M52 HydrophobicContact CB-CE 4.02Å; L50-M52 HydrophobicContact CD2-CE 3.9Å; L50-G89 VanDerWaalsContact C-CA 3.46Å; L50-G89 WeakPolarHBondContact O-CA 3.33Å | ||
| 51 | N | 96.6 | Very high | 96.2 | Very high | 29 Ų | 29 | 43.3 Ų | 43.3 | 16% | 0.155 | 22% | 0.217 | C | C | . | . | trans | -66.4 | 140.6 | 160.1 | -59 | -49.8 | 0 | 0 | 0 | 108.1 | Y46 D47 H49 F86 V87 R88 G89 | Y46-N51 CarbonylContact C-O 3.59Å; Y46-N51 WeakPolarHBondContact CA-O 3.4Å; Y46-N51 WeakPolarHBondContact CB-O 3.47Å; D47-N51 PolarHBondContact N-O 2.84Å; D47-N51 WeakPolarHBondContact OD1-CB 3.36Å; D47-N51 PolarHBondContact OD1-N 2.83Å; D47-N51 PolarHBondContact OD1-ND2 3.33Å; D47-N51 PolarHBondContact OD2-ND2 3.35Å; H49-N51 PolarHBondContact O-N 2.88Å; N51-F86 HydrophobicContact CB-CE2 4.07Å; N51-F86 HydrophobicContact CB-CZ 4.26Å; N51-V87 CarbonylContact C-O 3.54Å; N51-V87 VanDerWaalsContact CA-O 3.28Å; N51-V87 WeakPolarHBondContact CA-O 3.5Å; N51-R88 WeakPolarHBondContact OD1-CA 3.41Å; N51-G89 PolarHBondContact OD1-N 3.01Å | ||
| 52 | M | 96.9 | Very high | 96 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 148.9 | -174.5 | -58.9 | 173.5 | -157.7 | 0 | 0 | 112.1 | I21 I29 V31 L43 A45 L50 L54 F86 V87 V92 V95 | I21-M52 HydrophobicContact CD1-CE 4.19Å; I29-M52 HydrophobicContact CD1-SD 4.26Å; V31-M52 HydrophobicContact CG2-SD 4.17Å; L43-M52 HydrophobicContact CD1-CB 4.13Å; L43-M52 HydrophobicContact CD1-CG 4.11Å; L43-M52 HydrophobicContact CD1-SD 4.25Å; A45-M52 VanDerWaalsContact O-CA 3.32Å; A45-M52 WeakPolarHBondContact O-CA 3.26Å; L50-M52 HydrophobicContact CB-CE 4.02Å; L50-M52 HydrophobicContact CD2-CE 3.9Å; M52-L54 HydrophobicContact CB-CD2 4.28Å; M52-L54 HydrophobicContact CB-CG 4.36Å; M52-F86 WeakPolarHBondContact O-CA 3.42Å; M52-V87 HydrophobicContact CB-CB 4.32Å; M52-V87 PolarHBondContact N-O 2.75Å; M52-V87 PolarHBondContact O-N 3.16Å; M52-V92 HydrophobicContact CE-CG1 4.06Å; M52-V92 HydrophobicContact CE-CG2 4.06Å; M52-V95 HydrophobicContact CE-CG2 3.47Å; M52-V95 VanDerWaalsContact CE-CG2 3.47Å |
| 53 | I | 97.8 | Very high | 95.8 | Very high | 56 Ų | 56 | 44.4 Ų | 44.4 | 29% | 0.287 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 116.1 | 162.8 | -58 | -67.6 | 0 | 0 | 0 | 107.2 | N44 A45 M84 F86 | N44-I53 HydrophobicContact CB-CB 4.35Å; N44-I53 HydrophobicContact CB-CG2 4.08Å; N44-I53 WeakPolarHBondContact CB-O 3.42Å; N44-I53 PolarHBondContact N-O 2.89Å; A45-I53 HydrophobicContact CB-CB 4.16Å; A45-I53 HydrophobicContact CB-CG1 4.19Å; A45-I53 PolarHBondContact N-O 3.45Å; A45-I53 PolarHBondContact O-N 2.89Å; I53-M84 HydrophobicContact CG2-CE 3.45Å; I53-M84 VanDerWaalsContact CG2-CE 3.45Å; I53-F86 HydrophobicContact CD1-CB 4.01Å; I53-F86 HydrophobicContact CD1-CD2 3.68Å; I53-F86 HydrophobicContact CD1-CG 4.34Å |
| 54 | L | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 134.6 | 177.6 | -58.5 | -177.4 | 0 | 0 | 0 | 110.5 | I29 V31 L39 R42 L43 M52 V57 M84 L85 V87 | I29-L54 HydrophobicContact CD1-CD2 3.96Å; I29-L54 HydrophobicContact CG1-CD2 4.25Å; V31-L54 HydrophobicContact CG2-CD1 4.45Å; L39-L54 HydrophobicContact CB-CD1 4.23Å; L39-L54 HydrophobicContact CD1-CD1 4.18Å; R42-L54 CarbonylContact O-C 3.56Å; R42-L54 VanDerWaalsContact O-CA 3.26Å; R42-L54 WeakPolarHBondContact O-CA 3.46Å; L43-L54 HydrophobicContact CB-CD2 4.29Å; L43-L54 HydrophobicContact CD1-CD2 3.73Å; M52-L54 HydrophobicContact CB-CD2 4.28Å; M52-L54 HydrophobicContact CB-CG 4.36Å; L54-V57 HydrophobicContact CB-CG2 3.39Å; L54-V57 WeakPolarHBondContact O-CG2 3.38Å; L54-M84 CarbonylContact O-C 3.57Å; L54-M84 WeakPolarHBondContact O-CA 3.25Å; L54-L85 PolarHBondContact N-O 2.92Å; L54-L85 PolarHBondContact O-N 2.81Å; L54-V87 HydrophobicContact CD1-CG2 4.08Å; L54-V87 HydrophobicContact CG-CG2 4.37Å |
| 55 | G | 97.8 | Very high | 95 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 156.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G41 R42 V57 P83 | G41-G55 CarbonylContact C-O 3.58Å; G41-G55 WeakPolarHBondContact CA-O 3.39Å; R42-G55 PolarHBondContact N-O 2.87Å; R42-G55 PolarHBondContact O-N 3.2Å; G55-V57 VanDerWaalsContact C-N 3.3Å; G55-V57 PolarHBondContact O-N 3.27Å; G55-P83 CarbonylContact C-O 3.58Å; G55-P83 WeakPolarHBondContact CA-O 3.47Å |
| 56 | D | 97.1 | Very high | 94.7 | Very high | 85 Ų | 85 | 52.2 Ų | 52.2 | 46% | 0.455 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 49.8 | 49.5 | 174.8 | -57.7 | -48.8 | 0 | 0 | 0 | 112.7 | R42 P83 | R42-D56 IonicContact CZ-OD2 2.75Å; R42-D56 IonicContact NH1-OD2 3.17Å; R42-D56 PolarHBondContact NH1-OD2 3.17Å; D56-P83 PolarHBondContact N-O 2.89Å |
| 57 | V | 97.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 136 | -166.2 | -168.3 | 0 | 0 | 0 | 0 | 111.2 | L39 R40 L54 G55 N81 I82 L85 | L39-V57 HydrophobicContact CB-CG1 4.26Å; L39-V57 HydrophobicContact CD2-CG1 4.08Å; R40-V57 CarbonylContact O-C 3.57Å; R40-V57 WeakPolarHBondContact O-CA 3.44Å; L54-V57 HydrophobicContact CB-CG2 3.39Å; L54-V57 WeakPolarHBondContact O-CG2 3.38Å; G55-V57 VanDerWaalsContact C-N 3.3Å; G55-V57 PolarHBondContact O-N 3.27Å; V57-N81 CarbonylContact O-C 3.6Å; V57-N81 VanDerWaalsContact O-CA 3.23Å; V57-N81 WeakPolarHBondContact O-CA 3.44Å; V57-I82 HydrophobicContact CB-CB 4.45Å; V57-I82 PolarHBondContact N-O 3.18Å; V57-I82 PolarHBondContact O-N 3.16Å; V57-L85 HydrophobicContact CG1-CD2 4.15Å; V57-L85 HydrophobicContact CG2-CB 3.98Å |
| 58 | E | 97.4 | Very high | 94 | Very high | 54 Ų | 54 | 57.8 Ų | 57.8 | 25% | 0.252 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 114 | 163.6 | -176.8 | 176.9 | 125.6 | 0 | 0 | 108.6 | L39 R40 K79 R80 | L39-E58 WeakPolarHBondContact CA-O 3.5Å; R40-E58 PolarHBondContact N-O 2.83Å; R40-E58 PolarHBondContact O-N 2.93Å; E58-K79 WeakPolarHBondContact OE1-CE 3.41Å; E58-K79 IonicContact OE1-NZ 3.8Å; E58-K79 PolarHBondContact OE1-NZ 2.89Å; E58-R80 CarbonylContact C-O 3.53Å; E58-R80 WeakPolarHBondContact CA-O 3.5Å |
| 59 | E | 96.6 | Very high | 93.9 | Very high | 21 Ų | 21 | 58.9 Ų | 58.9 | 10% | 0.098 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 131.9 | 169.8 | -179.8 | -177.4 | -139.3 | 0 | 0 | 109.4 | R37 E38 L39 V61 K79 R80 | R37-E59 IonicContact CZ-OE1 2.75Å; R37-E59 IonicContact NH1-OE1 2.76Å; R37-E59 PolarHBondContact NH1-OE1 2.88Å; R37-E59 IonicContact NH1-OE2 2.92Å; E38-E59 CarbonylContact O-C 3.59Å; E38-E59 WeakPolarHBondContact O-CA 3.28Å; L39-E59 HydrophobicContact CD2-CB 3.61Å; L39-E59 HydrophobicContact CD2-CG 3.72Å; E59-V61 HydrophobicContact CG-CG2 4.03Å; E59-K79 CarbonylContact O-C 3.54Å; E59-K79 VanDerWaalsContact O-CA 3.24Å; E59-K79 WeakPolarHBondContact O-CA 3.44Å; E59-R80 PolarHBondContact N-O 2.99Å; E59-R80 PolarHBondContact O-N 3.18Å |
| 60 | T | 96.3 | Very high | 93.8 | Very high | 14 Ų | 14 | 57.2 Ų | 57.2 | 9% | 0.086 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 125.5 | 168.6 | -57.1 | 0 | 0 | 0 | 0 | 108.8 | R37 E38 T78 K79 | R37-T60 WeakPolarHBondContact CA-O 3.46Å; E38-T60 PolarHBondContact N-O 3.24Å; E38-T60 PolarHBondContact O-N 3.18Å; T60-T78 WeakPolarHBondContact CA-O 3.16Å; T60-K79 HydrophobicContact CG2-CG 4.27Å |
| 61 | V | 95.2 | Very high | 93.5 | Very high | 26 Ų | 26 | 63.1 Ų | 63.1 | 16% | 0.158 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 121.6 | 174.3 | -173.4 | 0 | 0 | 0 | 0 | 108 | R37 E59 T63 S77 T78 | R37-V61 HydrophobicContact CG-CB 4.46Å; R37-V61 HydrophobicContact CG-CG1 4.13Å; R37-V61 HydrophobicContact CG-CG2 4.07Å; E59-V61 HydrophobicContact CG-CG2 4.03Å; V61-T63 HydrophobicContact CG1-CG2 4.46Å; V61-S77 WeakPolarHBondContact O-CA 3.2Å; V61-T78 PolarHBondContact N-O 3.07Å; V61-T78 PolarHBondContact O-N 3.41Å |
| 62 | T | 92.8 | Very high | 93.2 | Very high | 43 Ų | 43 | 67.9 Ų | 67.9 | 26% | 0.264 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 128.9 | 176.6 | -57.2 | 0 | 0 | 0 | 0 | 109.5 | D36 Y75 K76 | D36-T62 PolarHBondContact O-N 2.88Å; T62-Y75 HydrophobicContact CG2-CD1 4.39Å; T62-K76 CarbonylContact C-O 3.5Å; T62-K76 WeakPolarHBondContact CA-O 3.48Å |
| 63 | T | 91 | Very high | 92.9 | Very high | 64 Ų | 64 | 73.1 Ų | 73.1 | 39% | 0.393 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 136.8 | 176.3 | 54.2 | 0 | 0 | 0 | 0 | 109.4 | V61 K76 | V61-T63 HydrophobicContact CG1-CG2 4.46Å; T63-K76 PolarHBondContact N-O 3.44Å; T63-K76 PolarHBondContact O-N 3.11Å |
| 64 | V | 89.9 | Confident | 92.5 | Very high | 70 Ų | 70 | 74 Ų | 74 | 42% | 0.424 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 117.5 | 173.3 | -174.6 | 0 | 0 | 0 | 0 | 107.8 | E73 Y75 | V64-E73 HydrophobicContact CG1-CB 4Å; V64-E73 HydrophobicContact CG1-CG 4.08Å; V64-Y75 HydrophobicContact CG2-CD1 3.9Å; V64-Y75 HydrophobicContact CG2-CE1 3.7Å |
| 65 | E | 87.5 | Confident | 92.1 | Very high | 87 Ų | 87 | 81 Ų | 81 | 41% | 0.407 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 136.3 | 167.6 | -69.1 | -179.4 | -164.3 | 0 | 0 | 108.1 | I74 K76 | E65-I74 HydrophobicContact CB-CB 4.5Å; E65-I74 PolarHBondContact N-O 3.26Å; E65-I74 PolarHBondContact O-N 2.75Å; E65-K76 WeakPolarHBondContact OE1-CD 3.32Å; E65-K76 WeakPolarHBondContact OE1-CE 3.48Å; E65-K76 IonicContact OE1-NZ 2.89Å; E65-K76 PolarHBondContact OE1-NZ 3.33Å; E65-K76 WeakPolarHBondContact OE2-CE 3.11Å; E65-K76 IonicContact OE2-NZ 2.61Å; E65-K76 PolarHBondContact OE2-NZ 3.25Å |
| 66 | I | 88.9 | Confident | 91.9 | Very high | 105 Ų | 105 | 85.4 Ų | 85.4 | 54% | 0.538 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 126.1 | 177.2 | -58.1 | 173.9 | 0 | 0 | 0 | 106.9 | E68 | I66-E68 PolarHBondContact O-N 2.81Å |
| 67 | D | 87.3 | Confident | 91.7 | Very high | 57 Ų | 57 | 85.2 Ų | 85.2 | 31% | 0.305 | 42% | 0.419 | S | S | . | . | trans | -67.4 | 125.4 | 172.3 | -172 | -68.3 | 0 | 0 | 0 | 109.8 | E69 T70 Y71 E72 | D67-E69 VanDerWaalsContact C-N 3.25Å; D67-E69 PolarHBondContact O-N 3.45Å; D67-E69 WeakPolarHBondContact OD1-CA 3.2Å; D67-E69 PolarHBondContact OD1-N 3.42Å; D67-T70 VanDerWaalsContact CB-OG1 3.28Å; D67-T70 WeakPolarHBondContact CB-OG1 3.3Å; D67-T70 VanDerWaalsContact CG-OG1 3.31Å; D67-T70 PolarHBondContact OD1-N 2.84Å; D67-T70 PolarHBondContact OD1-OG1 2.96Å; D67-Y71 WeakPolarHBondContact O-CA 3.48Å; D67-Y71 PolarHBondContact O-N 3.46Å; D67-E72 PolarHBondContact N-O 3.11Å | ||
| 68 | E | 89.1 | Confident | 91.5 | Very high | 179 Ų | 179 | 89.4 Ų | 89.4 | 84% | 0.836 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -21.8 | -174.6 | -63.7 | -175.7 | 174.1 | 0 | 0 | 113.2 | I66 | I66-E68 PolarHBondContact O-N 2.81Š|
| 69 | E | 90.4 | Very high | 91.4 | Very high | 175 Ų | 175 | 92.4 Ų | 92.4 | 82% | 0.818 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -43.7 | -178.7 | -63.1 | -171.9 | 170.8 | 0 | 0 | 111.7 | D67 | D67-E69 VanDerWaalsContact C-N 3.25Å; D67-E69 PolarHBondContact O-N 3.45Å; D67-E69 WeakPolarHBondContact OD1-CA 3.2Å; D67-E69 PolarHBondContact OD1-N 3.42Å |
| 70 | T | 91.1 | Very high | 91.4 | Very high | 76 Ų | 76 | 98.4 Ų | 98.4 | 47% | 0.466 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -13.5 | -174.9 | 68.1 | 0 | 0 | 0 | 0 | 113.8 | D67 E72 | D67-T70 VanDerWaalsContact CB-OG1 3.28Å; D67-T70 WeakPolarHBondContact CB-OG1 3.3Å; D67-T70 VanDerWaalsContact CG-OG1 3.31Å; D67-T70 PolarHBondContact OD1-N 2.84Å; D67-T70 PolarHBondContact OD1-OG1 2.96Å; T70-E72 PolarHBondContact O-N 2.94Å; T70-E72 WeakPolarHBondContact OG1-CB 3.31Å; T70-E72 WeakPolarHBondContact OG1-CG 3.45Å; T70-E72 PolarHBondContact OG1-N 3.05Å |
| 71 | Y | 88.4 | Confident | 91.4 | Very high | 182 Ų | 182 | 103.5 Ų | 103.5 | 71% | 0.714 | 51% | 0.506 | S | S | * | . | trans | 56.6 | 19.9 | -171.3 | -59 | -86.8 | 0 | 0 | 0 | 113.9 | D67 | D67-Y71 WeakPolarHBondContact O-CA 3.48Å; D67-Y71 PolarHBondContact O-N 3.46Å | ||
| 72 | E | 91.1 | Very high | 91.5 | Very high | 129 Ų | 129 | 104 Ų | 104 | 60% | 0.603 | 51% | 0.507 | S | S | * | . | trans | -77.3 | 138.7 | 176.4 | -69.2 | -177.1 | 166.8 | 0 | 0 | 111 | D67 T70 | D67-E72 PolarHBondContact N-O 3.11Å; T70-E72 PolarHBondContact O-N 2.94Å; T70-E72 WeakPolarHBondContact OG1-CB 3.31Å; T70-E72 WeakPolarHBondContact OG1-CG 3.45Å; T70-E72 PolarHBondContact OG1-N 3.05Å | ||
| 73 | E | 90.3 | Very high | 91.7 | Very high | 111 Ų | 111 | 106.8 Ų | 106.8 | 52% | 0.519 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 115.5 | 176.3 | -68.3 | -176.3 | 172 | 0 | 0 | 111 | V64 Y75 | V64-E73 HydrophobicContact CG1-CB 4Å; V64-E73 HydrophobicContact CG1-CG 4.08Å; E73-Y75 HydrophobicContact CB-CE2 3.87Å; E73-Y75 PolarHBondContact OE2-OH 3.02Å |
| 74 | I | 88.6 | Confident | 92 | Very high | 74 Ų | 74 | 109 Ų | 109 | 38% | 0.379 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 112.4 | 176.7 | -55.5 | 175.1 | 0 | 0 | 0 | 108.9 | E65 K76 | E65-I74 HydrophobicContact CB-CB 4.5Å; E65-I74 PolarHBondContact N-O 3.26Å; E65-I74 PolarHBondContact O-N 2.75Å; I74-K76 HydrophobicContact CG2-CG 4.39Å |
| 75 | Y | 90.4 | Very high | 92.3 | Very high | 148 Ų | 148 | 107.7 Ų | 107.7 | 58% | 0.58 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 115.4 | 177.5 | -65.8 | -97 | 0 | 0 | 0 | 110.3 | T62 V64 E73 | T62-Y75 HydrophobicContact CG2-CD1 4.39Å; V64-Y75 HydrophobicContact CG2-CD1 3.9Å; V64-Y75 HydrophobicContact CG2-CE1 3.7Å; E73-Y75 HydrophobicContact CB-CE2 3.87Å; E73-Y75 PolarHBondContact OE2-OH 3.02Å |
| 76 | K | 92.3 | Very high | 92.8 | Very high | 94 Ų | 94 | 109.7 Ų | 109.7 | 41% | 0.409 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 138.5 | 172.7 | -69.7 | -176.5 | -173.9 | 168.5 | 0 | 110.3 | T62 T63 E65 I74 | T62-K76 CarbonylContact C-O 3.5Å; T62-K76 WeakPolarHBondContact CA-O 3.48Å; T63-K76 PolarHBondContact N-O 3.44Å; T63-K76 PolarHBondContact O-N 3.11Å; E65-K76 WeakPolarHBondContact OE1-CD 3.32Å; E65-K76 WeakPolarHBondContact OE1-CE 3.48Å; E65-K76 IonicContact OE1-NZ 2.89Å; E65-K76 PolarHBondContact OE1-NZ 3.33Å; E65-K76 WeakPolarHBondContact OE2-CE 3.11Å; E65-K76 IonicContact OE2-NZ 2.61Å; E65-K76 PolarHBondContact OE2-NZ 3.25Å; I74-K76 HydrophobicContact CG2-CG 4.39Å |
| 77 | S | 92.6 | Very high | 93.2 | Very high | 80 Ų | 80 | 105.1 Ų | 105.1 | 56% | 0.559 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 129.9 | 173.9 | 59 | 0 | 0 | 0 | 0 | 110.2 | V61 | V61-S77 WeakPolarHBondContact O-CA 3.2Å |
| 78 | T | 94.5 | Very high | 93.7 | Very high | 89 Ų | 89 | 109.8 Ų | 109.8 | 55% | 0.546 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 134.2 | 173 | -59.5 | 0 | 0 | 0 | 0 | 109 | T60 V61 | T60-T78 WeakPolarHBondContact CA-O 3.16Å; V61-T78 PolarHBondContact N-O 3.07Å; V61-T78 PolarHBondContact O-N 3.41Å |
| 79 | K | 95.5 | Very high | 94.1 | Very high | 117 Ų | 117 | 101.6 Ų | 101.6 | 51% | 0.509 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 143.7 | -179.7 | -66.4 | -170.2 | 170.6 | -157.3 | 0 | 112.5 | E58 E59 T60 | E58-K79 WeakPolarHBondContact OE1-CE 3.41Å; E58-K79 IonicContact OE1-NZ 3.8Å; E58-K79 PolarHBondContact OE1-NZ 2.89Å; E59-K79 CarbonylContact O-C 3.54Å; E59-K79 VanDerWaalsContact O-CA 3.24Å; E59-K79 WeakPolarHBondContact O-CA 3.44Å; T60-K79 HydrophobicContact CG2-CG 4.27Å |
| 80 | R | 95.3 | Very high | 94.4 | Very high | 147 Ų | 147 | 97.7 Ų | 97.7 | 56% | 0.555 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 140.7 | 176.1 | -66.2 | 176.9 | 58.1 | -174.2 | -5.1 | 110.6 | E58 E59 | E58-R80 CarbonylContact C-O 3.53Å; E58-R80 WeakPolarHBondContact CA-O 3.5Å; E59-R80 PolarHBondContact N-O 2.99Å; E59-R80 PolarHBondContact O-N 3.18Å |
| 81 | N | 96.7 | Very high | 94.5 | Very high | 121 Ų | 121 | 94.8 Ų | 94.8 | 65% | 0.647 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 134.3 | 174.5 | -62.8 | 84.2 | 0 | 0 | 0 | 110.4 | V57 | V57-N81 CarbonylContact O-C 3.6Å; V57-N81 VanDerWaalsContact O-CA 3.23Å; V57-N81 WeakPolarHBondContact O-CA 3.44Å |
| 82 | I | 97.2 | Very high | 94.9 | Very high | 36 Ų | 36 | 87.1 Ų | 87.1 | 19% | 0.185 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 121.7 | -175.5 | -58.1 | 166.8 | 0 | 0 | 0 | 107.8 | V57 M84 L85 | V57-I82 HydrophobicContact CB-CB 4.45Å; V57-I82 PolarHBondContact N-O 3.18Å; V57-I82 PolarHBondContact O-N 3.16Å; I82-M84 VanDerWaalsContact C-N 3.34Å; I82-M84 VanDerWaalsContact CG2-O 3.31Å; I82-M84 WeakPolarHBondContact CG2-O 3.29Å; I82-M84 PolarHBondContact O-N 3.24Å; I82-L85 HydrophobicContact CD1-CD1 4.26Å; I82-L85 HydrophobicContact CD1-CD2 4.29Å; I82-L85 HydrophobicContact CG2-CB 4.15Å |
| 83 | P | 97.2 | Very high | 95.1 | Very high | 101 Ų | 101 | 85.4 Ų | 85.4 | 66% | 0.656 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.3 | -41 | -177 | -26.2 | 34.6 | 0 | 0 | 0 | 113.6 | G55 D56 | G55-P83 CarbonylContact C-O 3.58Å; G55-P83 WeakPolarHBondContact CA-O 3.47Å; D56-P83 PolarHBondContact N-O 2.89Å |
| 84 | M | 97.1 | Very high | 95.3 | Very high | 111 Ų | 111 | 84.2 Ų | 84.2 | 55% | 0.547 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 131.5 | 179 | -77.7 | -69.4 | -73.7 | 0 | 0 | 109.5 | N44 I53 L54 I82 | N44-M84 PolarHBondContact ND2-SD 3.42Å; N44-M84 VanDerWaalsContact ND2-SD 3.45Å; I53-M84 HydrophobicContact CG2-CE 3.45Å; I53-M84 VanDerWaalsContact CG2-CE 3.45Å; L54-M84 CarbonylContact O-C 3.57Å; L54-M84 WeakPolarHBondContact O-CA 3.25Å; I82-M84 VanDerWaalsContact C-N 3.34Å; I82-M84 VanDerWaalsContact CG2-O 3.31Å; I82-M84 WeakPolarHBondContact CG2-O 3.29Å; I82-M84 PolarHBondContact O-N 3.24Å |
| 85 | L | 97.3 | Very high | 95.6 | Very high | 43 Ų | 43 | 82.8 Ų | 82.8 | 23% | 0.225 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 129.9 | -176.8 | -176.2 | 64.1 | 0 | 0 | 0 | 110.7 | L39 L54 V57 I82 V87 | L39-L85 HydrophobicContact CD1-CD2 4.16Å; L39-L85 HydrophobicContact CD2-CD2 4.09Å; L54-L85 PolarHBondContact N-O 2.92Å; L54-L85 PolarHBondContact O-N 2.81Å; V57-L85 HydrophobicContact CG1-CD2 4.15Å; V57-L85 HydrophobicContact CG2-CB 3.98Å; I82-L85 HydrophobicContact CD1-CD1 4.26Å; I82-L85 HydrophobicContact CD1-CD2 4.29Å; I82-L85 HydrophobicContact CG2-CB 4.15Å; L85-V87 HydrophobicContact CD2-CG2 3.98Å; L85-V87 HydrophobicContact CG-CG2 4.05Å |
| 86 | F | 97.8 | Very high | 95.7 | Very high | 129 Ų | 129 | 77 Ų | 77 | 57% | 0.566 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 131.4 | 163.1 | 170.6 | -98.4 | 0 | 0 | 0 | 109.6 | N51 M52 I53 R88 | N51-F86 HydrophobicContact CB-CE2 4.07Å; N51-F86 HydrophobicContact CB-CZ 4.26Å; M52-F86 WeakPolarHBondContact O-CA 3.42Å; I53-F86 HydrophobicContact CD1-CB 4.01Å; I53-F86 HydrophobicContact CD1-CD2 3.68Å; I53-F86 HydrophobicContact CD1-CG 4.34Å; F86-R88 HydrophobicContact CE1-CB 4.43Å |
| 87 | V | 97.3 | Very high | 95.2 | Very high | 8 Ų | 8 | 76.6 Ų | 76.6 | 5% | 0.048 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 131.8 | 179.4 | -176.9 | 0 | 0 | 0 | 0 | 108.9 | M33 L39 N51 M52 L54 L85 V92 | M33-V87 HydrophobicContact CE-CG1 4.36Å; M33-V87 HydrophobicContact SD-CG1 3.65Å; L39-V87 HydrophobicContact CD1-CG1 4.25Å; L39-V87 HydrophobicContact CD1-CG2 3.61Å; N51-V87 CarbonylContact C-O 3.54Å; N51-V87 VanDerWaalsContact CA-O 3.28Å; N51-V87 WeakPolarHBondContact CA-O 3.5Å; M52-V87 HydrophobicContact CB-CB 4.32Å; M52-V87 PolarHBondContact N-O 2.75Å; M52-V87 PolarHBondContact O-N 3.16Å; L54-V87 HydrophobicContact CD1-CG2 4.08Å; L54-V87 HydrophobicContact CG-CG2 4.37Å; L85-V87 HydrophobicContact CD2-CG2 3.98Å; L85-V87 HydrophobicContact CG-CG2 4.05Å; V87-V92 HydrophobicContact CG1-CG2 4.15Å |
| 88 | R | 97.5 | Very high | 94.3 | Very high | 155 Ų | 155 | 74.7 Ų | 74.7 | 59% | 0.585 | 39% | 0.392 | S | S | * | . | trans | -86.4 | 133.2 | 175.2 | -174.4 | 179.2 | 173.8 | 87.4 | 7.8 | 110.6 | N51 F86 D90 G91 | N51-R88 WeakPolarHBondContact OD1-CA 3.41Å; F86-R88 HydrophobicContact CE1-CB 4.43Å; R88-D90 IonicContact CZ-OD2 2.85Å; R88-D90 IonicContact NE-OD2 3.89Å; R88-D90 PolarHBondContact NE-OD2 3.33Å; R88-D90 IonicContact NH2-OD2 3.97Å; R88-D90 PolarHBondContact NH2-OD2 2.93Å; R88-D90 PolarHBondContact O-N 3.49Å; R88-G91 PolarHBondContact O-N 3.12Å | ||
| 89 | G | 96.4 | Very high | 93.1 | Very high | 7 Ų | 7 | 77.8 Ų | 77.8 | 7% | 0.072 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -66.1 | -28.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116 | H49 L50 N51 G91 V92 | H49-G89 VanDerWaalsContact O-CA 3.29Å; H49-G89 WeakPolarHBondContact O-CA 3.38Å; L50-G89 VanDerWaalsContact C-CA 3.46Å; L50-G89 WeakPolarHBondContact O-CA 3.33Å; N51-G89 PolarHBondContact OD1-N 3.01Å; G89-G91 PolarHBondContact O-N 3.11Å; G89-V92 WeakPolarHBondContact O-CB 3.22Å; G89-V92 PolarHBondContact O-N 3Å |
| 90 | D | 96.8 | Very high | 91.6 | Very high | 93 Ų | 93 | 83.5 Ų | 83.5 | 50% | 0.497 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -56.6 | -28.1 | 177.5 | -58.7 | -15.3 | 0 | 0 | 0 | 113.2 | R34 R88 | R34-D90 PolarHBondContact NE-O 2.87Å; R34-D90 VanDerWaalsContact NE-O 3.11Å; R34-D90 PolarHBondContact NH2-O 2.76Å; R88-D90 IonicContact CZ-OD2 2.85Å; R88-D90 IonicContact NE-OD2 3.89Å; R88-D90 PolarHBondContact NE-OD2 3.33Å; R88-D90 IonicContact NH2-OD2 3.97Å; R88-D90 PolarHBondContact NH2-OD2 2.93Å; R88-D90 PolarHBondContact O-N 3.49Å |
| 91 | G | 94.8 | Very high | 89.7 | Confident | 16 Ų | 16 | 83.2 Ų | 83.2 | 17% | 0.165 | 44% | 0.437 | C | S | . | . | G | 310 helix | trans | -87.5 | -11.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | M33 R34 R88 G89 | M33-G91 CarbonylContact C-O 3.54Å; M33-G91 VanDerWaalsContact CA-O 3.25Å; M33-G91 WeakPolarHBondContact CA-O 3.16Å; R34-G91 PolarHBondContact N-O 3.19Å; R88-G91 PolarHBondContact O-N 3.12Å; G89-G91 PolarHBondContact O-N 3.11Å |
| 92 | V | 96.3 | Very high | 87.1 | Confident | 20 Ų | 20 | 84.2 Ų | 84.2 | 12% | 0.121 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 130.4 | -178.4 | 178.6 | 0 | 0 | 0 | 0 | 109.3 | V31 M33 M52 V87 G89 V95 | V31-V92 HydrophobicContact CG1-CG1 3.92Å; V31-V92 HydrophobicContact CG1-CG2 4.18Å; M33-V92 HydrophobicContact SD-CG2 4.14Å; M52-V92 HydrophobicContact CE-CG1 4.06Å; M52-V92 HydrophobicContact CE-CG2 4.06Å; V87-V92 HydrophobicContact CG1-CG2 4.15Å; G89-V92 WeakPolarHBondContact O-CB 3.22Å; G89-V92 PolarHBondContact O-N 3Å; V92-V95 HydrophobicContact CG1-CG2 3.89Å |
| 93 | V | 95.9 | Very high | 86.6 | Confident | 93 Ų | 93 | 86.7 Ų | 86.7 | 56% | 0.564 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.9 | -41 | 177.2 | -179.7 | 0 | 0 | 0 | 0 | 110.7 | K32 R34 | K32-V93 WeakPolarHBondContact O-CB 3.39Å; K32-V93 PolarHBondContact O-N 3.03Å; R34-V93 HydrophobicContact CG-CG2 3.65Å |
| 94 | L | 94.7 | Very high | 86.1 | Confident | 86 Ų | 86 | 85.9 Ų | 85.9 | 45% | 0.45 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 140.6 | -177 | 162.3 | 112.8 | 0 | 0 | 0 | 109.5 | Y30 V31 K32 | Y30-L94 HydrophobicContact CD1-CD2 4.15Å; Y30-L94 HydrophobicContact CE1-CD2 3.8Å; V31-L94 WeakPolarHBondContact CA-O 3.46Å; K32-L94 HydrophobicContact CB-CB 4.24Å; K32-L94 HydrophobicContact CB-CD2 4.06Å; K32-L94 PolarHBondContact N-O 2.84Å; K32-L94 PolarHBondContact O-N 2.85Å |
| 95 | V | 93.9 | Very high | 85.5 | Confident | 44 Ų | 44 | 84.5 Ų | 84.5 | 27% | 0.267 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 135 | 164.3 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | I21 I29 Y30 V31 M52 V92 | I21-V95 HydrophobicContact CD1-CB 4.26Å; I21-V95 HydrophobicContact CD1-CG1 3.85Å; I21-V95 HydrophobicContact CD1-CG2 4.09Å; I21-V95 HydrophobicContact CG1-CG1 4.26Å; I29-V95 HydrophobicContact CB-CG1 4.5Å; I29-V95 HydrophobicContact CD1-CG1 3.94Å; Y30-V95 WeakPolarHBondContact O-CA 3.37Å; V31-V95 HydrophobicContact CG1-CG2 4.46Å; V31-V95 HydrophobicContact CG2-CG2 4.45Å; M52-V95 HydrophobicContact CE-CG2 3.47Å; M52-V95 VanDerWaalsContact CE-CG2 3.47Å; V92-V95 HydrophobicContact CG1-CG2 3.89Å |
| 96 | A | 91.6 | Very high | 84.8 | Confident | 28 Ų | 28 | 86.9 Ų | 86.9 | 23% | 0.231 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 141.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y30 | Y30-A96 HydrophobicContact CD1-CB 4.12Å; Y30-A96 PolarHBondContact N-O 2.83Å; Y30-A96 PolarHBondContact O-N 3.48Å |
| 97 | P | 82 | Confident | 84 | Confident | 85 Ų | 85 | 84.3 Ų | 84.3 | 55% | 0.552 | 49% | 0.49 | S | S | * | . | trans | -64.4 | 171.2 | 175.8 | 29.6 | -35.7 | 0 | 0 | 0 | 111.2 | L99 | P97-L99 PolarHBondContact O-N 3.16Š| ||
| 98 | P | 74.2 | Confident | 83.1 | Confident | 39 Ų | 39 | 89.4 Ų | 89.4 | 25% | 0.253 | 52% | 0.519 | S | S | . | . | trans | -54.8 | 141.9 | 174.7 | -13.9 | 21.8 | 0 | 0 | 0 | 110.5 | E27 R28 R100 | E27-P98 HydrophobicContact CB-CG 3.74Å; E27-P98 HydrophobicContact CG-CG 4.48Å; E27-P98 WeakPolarHBondContact OE2-CD 3.24Å; E27-P98 WeakPolarHBondContact OE2-CG 3.41Å; R28-P98 VanDerWaalsContact O-CA 3.31Å; R28-P98 WeakPolarHBondContact O-CA 3.44Å; R28-P98 VanDerWaalsContact O-CB 3.3Å; R28-P98 WeakPolarHBondContact O-CB 3.24Å; R28-P98 WeakPolarHBondContact O-CG 3.34Å; P98-R100 PolarHBondContact O-N 3.17Å | ||
| 99 | L | 69.1 | Low | 82 | Confident | 154 Ų | 154 | 84.7 Ų | 84.7 | 81% | 0.806 | 51% | 0.514 | S | S | * | . | trans | -61.1 | 104.7 | 166.6 | -70 | 166.9 | 0 | 0 | 0 | 107.3 | P97 V101 | P97-L99 PolarHBondContact O-N 3.16Å; L99-V101 PolarHBondContact O-N 3.13Å | ||
| 100 | R | 63.6 | Low | 80.9 | Confident | 238 Ų | 238 | 90.7 Ų | 90.7 | 90% | 0.898 | 55% | 0.548 | S | S | * | . | trans | -68.3 | 90.7 | 166.5 | -74.4 | -177.4 | 179.3 | 147.5 | 2.2 | 106.8 | P98 G102 | P98-R100 PolarHBondContact O-N 3.17Å; R100-G102 PolarHBondContact O-N 3.16Å; R100-G102 VanDerWaalsContact O-N 3.16Å | ||
| 101 | V | 55.8 | Low | 79.6 | Confident | 140 Ų | 140 | 90.5 Ų | 90.5 | 85% | 0.848 | 55% | 0.553 | S | S | * | * | trans | -70.6 | 106.4 | 166.9 | -156.6 | 0 | 0 | 0 | 0 | 105.1 | L99 | L99-V101 PolarHBondContact O-N 3.13Š| ||
| 102 | G | 43.5 | Very low | 78.2 | Confident | 143 Ų | 143 | 97.3 Ų | 97.3 | 100% | 1.474 | 59% | 0.588 | S | S | * | * | trans | -71.3 | 0 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R100 | R100-G102 PolarHBondContact O-N 3.16Å; R100-G102 VanDerWaalsContact O-N 3.16Å |
Retrieved 102 of 102 residues in 159.1 ms
(Link to these results)