| 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 | 76.9 | Confident | 94.3 | Very high | 244 Ų | 244 | 119.5 Ų | 119.5 | 100% | 1.202 | 60% | 0.604 | S | S | * | * | 0 | 120.4 | 0 | -147.5 | 170.3 | -171.6 | 0 | 0 | 106.1 | |||||
| 2 | E | 92.4 | Very high | 94.4 | Very high | 178 Ų | 178 | 121 Ų | 121 | 83% | 0.832 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 137.3 | -179.9 | -172.6 | 176.1 | 177.5 | 0 | 0 | 109.4 | ||
| 3 | V | 95.8 | Very high | 94.6 | Very high | 113 Ų | 113 | 115.1 Ų | 115.1 | 69% | 0.685 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 119 | 179.3 | 178.5 | 0 | 0 | 0 | 0 | 108.3 | ||
| 4 | L | 96.7 | Very high | 94.8 | Very high | 79 Ų | 79 | 112.8 Ų | 112.8 | 41% | 0.414 | 56% | 0.559 | S | S | . | * | P | Polyproline II helix | trans | -68 | 132.1 | 170.9 | -61.2 | -174.6 | 0 | 0 | 0 | 109.8 | V9 | L4-V9 HydrophobicContact CB-CG2 3.83Š|
| 5 | M | 97.9 | Very high | 95 | Very high | 135 Ų | 135 | 106.1 Ų | 106.1 | 67% | 0.665 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 152 | -179.7 | -65.5 | -64.7 | 170.8 | 0 | 0 | 110.8 | Q7 E8 V9 | M5-Q7 VanDerWaalsContact C-N 3.26Å; M5-Q7 PolarHBondContact O-N 3.24Å; M5-Q7 VanDerWaalsContact O-N 3.17Å; M5-E8 WeakPolarHBondContact O-CB 3.11Å; M5-E8 PolarHBondContact O-N 3.31Å; M5-V9 PolarHBondContact O-N 3.16Å |
| 6 | F | 96.3 | Very high | 95.2 | Very high | 138 Ų | 138 | 106.3 Ų | 106.3 | 61% | 0.605 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -50.7 | -45.2 | -178.4 | 168.9 | -97.3 | 0 | 0 | 0 | 113 | E8 V9 W10 | F6-E8 PolarHBondContact O-N 3.07Å; F6-V9 PolarHBondContact O-N 2.82Å; F6-W10 HydrophobicContact CE1-CB 4.38Å; F6-W10 HydrophobicContact CE2-CE3 4.43Å; F6-W10 HydrophobicContact CZ-CB 4.31Å; F6-W10 HydrophobicContact CZ-CD2 4.37Å; F6-W10 HydrophobicContact CZ-CE3 4.01Å; F6-W10 VanDerWaalsContact O-CB 3.31Å; F6-W10 WeakPolarHBondContact O-CB 3.36Å; F6-W10 PolarHBondContact O-N 2.91Å |
| 7 | Q | 96.7 | Very high | 95.4 | Very high | 139 Ų | 139 | 103.3 Ų | 103.3 | 65% | 0.65 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.3 | -34.7 | -179.5 | -67.8 | -61.7 | -31.9 | 0 | 0 | 112.5 | M5 G11 | M5-Q7 VanDerWaalsContact C-N 3.26Å; M5-Q7 PolarHBondContact O-N 3.24Å; M5-Q7 VanDerWaalsContact O-N 3.17Å; Q7-G11 PolarHBondContact O-N 3.01Å |
| 8 | E | 96.8 | Very high | 95.5 | Very high | 69 Ų | 69 | 100.7 Ų | 100.7 | 32% | 0.322 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -73.6 | -43.9 | 177.9 | -179.8 | 173 | -167.5 | 0 | 0 | 111.3 | M5 F6 G11 R12 | M5-E8 WeakPolarHBondContact O-CB 3.11Å; M5-E8 PolarHBondContact O-N 3.31Å; F6-E8 PolarHBondContact O-N 3.07Å; E8-G11 PolarHBondContact O-N 3.17Å; E8-R12 HydrophobicContact CG-CG 4.5Å; E8-R12 WeakPolarHBondContact O-CB 3.42Å; E8-R12 WeakPolarHBondContact O-CG 3.41Å; E8-R12 PolarHBondContact O-N 2.7Å; E8-R12 IonicContact OE1-CZ 4Å; E8-R12 IonicContact OE1-NE 3.37Å; E8-R12 PolarHBondContact OE1-NE 3.33Å; E8-R12 IonicContact OE1-NH2 2.61Å; E8-R12 PolarHBondContact OE1-NH2 3.03Å |
| 9 | V | 97.1 | Very high | 95.7 | Very high | 72 Ų | 72 | 103.5 Ų | 103.5 | 44% | 0.436 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.4 | -47.5 | 174.6 | 177.3 | 0 | 0 | 0 | 0 | 110.4 | L4 M5 F6 R12 S13 | L4-V9 HydrophobicContact CB-CG2 3.83Å; M5-V9 PolarHBondContact O-N 3.16Å; F6-V9 PolarHBondContact O-N 2.82Å; V9-R12 PolarHBondContact O-N 2.98Å; V9-S13 WeakPolarHBondContact O-CB 3.15Å; V9-S13 PolarHBondContact O-N 3.28Å; V9-S13 PolarHBondContact O-OG 3.47Å |
| 10 | W | 95.6 | Very high | 95.7 | Very high | 107 Ų | 107 | 104.8 Ų | 104.8 | 41% | 0.405 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.9 | -52.8 | 176.2 | -178.5 | -92.5 | 0 | 0 | 0 | 111.8 | F6 R12 S13 F14 | F6-W10 HydrophobicContact CE1-CB 4.38Å; F6-W10 HydrophobicContact CE2-CE3 4.43Å; F6-W10 HydrophobicContact CZ-CB 4.31Å; F6-W10 HydrophobicContact CZ-CD2 4.37Å; F6-W10 HydrophobicContact CZ-CE3 4.01Å; F6-W10 VanDerWaalsContact O-CB 3.31Å; F6-W10 WeakPolarHBondContact O-CB 3.36Å; F6-W10 PolarHBondContact O-N 2.91Å; W10-R12 VanDerWaalsContact C-N 3.32Å; W10-R12 PolarHBondContact O-N 3.3Å; W10-S13 PolarHBondContact O-N 2.76Å; W10-S13 PolarHBondContact O-OG 2.91Å; W10-S13 VanDerWaalsContact O-OG 3.14Å; W10-F14 HydrophobicContact CZ2-CD2 4.25Å; W10-F14 WeakPolarHBondContact O-CB 3.47Å; W10-F14 PolarHBondContact O-N 3.46Å |
| 11 | G | 94.9 | Very high | 95.9 | Very high | 41 Ų | 41 | 105 Ų | 105 | 42% | 0.423 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.6 | -35.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q7 E8 | Q7-G11 PolarHBondContact O-N 3.01Å; E8-G11 PolarHBondContact O-N 3.17Å |
| 12 | R | 96 | Very high | 96.8 | Very high | 137 Ų | 137 | 93.8 Ų | 93.8 | 52% | 0.517 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -74.4 | -28.5 | 177.4 | -71.2 | 175.4 | -178.7 | -142.3 | 2.8 | 113 | E8 V9 W10 R16 | E8-R12 HydrophobicContact CG-CG 4.5Å; E8-R12 WeakPolarHBondContact O-CB 3.42Å; E8-R12 WeakPolarHBondContact O-CG 3.41Å; E8-R12 PolarHBondContact O-N 2.7Å; E8-R12 IonicContact OE1-CZ 4Å; E8-R12 IonicContact OE1-NE 3.37Å; E8-R12 PolarHBondContact OE1-NE 3.33Å; E8-R12 IonicContact OE1-NH2 2.61Å; E8-R12 PolarHBondContact OE1-NH2 3.03Å; V9-R12 PolarHBondContact O-N 2.98Å; W10-R12 VanDerWaalsContact C-N 3.32Å; W10-R12 PolarHBondContact O-N 3.3Å; R12-R16 PolarHBondContact O-NE 2.88Å; R12-R16 PolarHBondContact O-NH2 3.13Å |
| 13 | S | 96.6 | Very high | 97 | Very high | 44 Ų | 44 | 90 Ų | 90 | 31% | 0.308 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -94.9 | -17.9 | -177.1 | 56.6 | 0 | 0 | 0 | 0 | 113.9 | V9 W10 G48 C49 | V9-S13 WeakPolarHBondContact O-CB 3.15Å; V9-S13 PolarHBondContact O-N 3.28Å; V9-S13 PolarHBondContact O-OG 3.47Å; W10-S13 PolarHBondContact O-N 2.76Å; W10-S13 PolarHBondContact O-OG 2.91Å; W10-S13 VanDerWaalsContact O-OG 3.14Å; S13-G48 CarbonylContact O-C 3.44Å; S13-G48 WeakPolarHBondContact O-CA 3.49Å; S13-C49 PolarHBondContact O-N 2.8Å; S13-C49 PolarHBondContact O-SG 2.89Å |
| 14 | F | 97.7 | Very high | 97 | Very high | 83 Ų | 83 | 84.7 Ų | 84.7 | 36% | 0.364 | 41% | 0.409 | S | S | . | . | B | Isolated β-bridge | trans | -65.9 | 148.9 | 179.4 | -168.3 | -102.8 | 0 | 0 | 0 | 112.4 | W10 R16 C49 | W10-F14 HydrophobicContact CZ2-CD2 4.25Å; W10-F14 WeakPolarHBondContact O-CB 3.47Å; W10-F14 PolarHBondContact O-N 3.46Å; F14-R16 WeakPolarHBondContact O-CG 3.31Å; F14-R16 PolarHBondContact O-N 2.91Å; F14-R16 VanDerWaalsContact O-N 3.12Å; F14-C49 WeakPolarHBondContact CA-O 3.02Å |
| 15 | C | 98.3 | Very high | 96.8 | Very high | 12 Ų | 12 | 84.6 Ų | 84.6 | 8% | 0.081 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -46.7 | 113.6 | -178.9 | 177 | 0 | 0 | 0 | 0 | 112.9 | A47 C49 C57 C94 | C15-A47 WeakPolarHBondContact CA-O 3.43Å; C15-C49 PolarHBondContact N-O 3.35Å; C15-C57 WeakPolarHBondContact CA-SG 3.48Å; C15-C57 HydrophobicContact CB-CB 3.73Å; C15-C57 WeakPolarHBondContact CB-SG 3.33Å; C15-C57 VanDerWaalsContact SG-CA 3.51Å; C15-C57 WeakPolarHBondContact SG-CB 3.34Å; C15-C57 CovalentContact SG-SG 2.03Å; C15-C57 PolarHBondContact SG-SG 2.84Å; C15-C94 VanDerWaalsContact CB-SG 3.5Å |
| 16 | R | 97.7 | Very high | 96.6 | Very high | 110 Ų | 110 | 84 Ų | 84 | 42% | 0.415 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 173.2 | 179.5 | 68.8 | -173.8 | -178.9 | 161.3 | 3.3 | 111.5 | R12 F14 M18 C46 A47 C92 | R12-R16 PolarHBondContact O-NE 2.88Å; R12-R16 PolarHBondContact O-NH2 3.13Å; F14-R16 WeakPolarHBondContact O-CG 3.31Å; F14-R16 PolarHBondContact O-N 2.91Å; F14-R16 VanDerWaalsContact O-N 3.12Å; R16-M18 HydrophobicContact CG-CG 3.85Å; R16-M18 HydrophobicContact CG-SD 4.26Å; R16-C46 WeakPolarHBondContact O-CA 3.39Å; R16-A47 PolarHBondContact N-O 2.85Å; R16-A47 PolarHBondContact O-N 2.63Å; R16-A47 VanDerWaalsContact O-O 3.04Å; R16-C92 VanDerWaalsContact C-SG 3.52Å |
| 17 | T | 98.3 | Very high | 96.5 | Very high | 55 Ų | 55 | 80.6 Ų | 80.6 | 34% | 0.337 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 129.1 | 169.8 | 48.1 | 0 | 0 | 0 | 0 | 110.6 | V44 R45 H89 K90 C92 | T17-V44 HydrophobicContact CG2-CG1 3.98Å; T17-R45 WeakPolarHBondContact CA-O 3.37Å; T17-H89 HydrophobicContact CG2-CB 4.44Å; T17-H89 VanDerWaalsContact CG2-O 3.22Å; T17-H89 WeakPolarHBondContact CG2-O 3.3Å; T17-K90 WeakPolarHBondContact CG2-O 2.97Å; T17-C92 VanDerWaalsContact CG2-SG 3.53Å |
| 18 | M | 98.1 | Very high | 96.3 | Very high | 57 Ų | 57 | 77.1 Ų | 77.1 | 28% | 0.281 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 145 | 175.8 | -64.7 | -170.7 | -73.7 | 0 | 0 | 109.7 | R16 K20 R45 A47 | R16-M18 HydrophobicContact CG-CG 3.85Å; R16-M18 HydrophobicContact CG-SD 4.26Å; M18-K20 PolarHBondContact O-N 3.24Å; M18-R45 PolarHBondContact N-O 2.78Å; M18-R45 PolarHBondContact O-N 2.93Å; M18-A47 VanDerWaalsContact CE-C 3.45Å; M18-A47 HydrophobicContact CE-CB 3.31Å |
| 19 | E | 97.9 | Very high | 95.9 | Very high | 154 Ų | 154 | 78.2 Ų | 78.2 | 72% | 0.72 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 130.9 | 171.7 | -170.6 | 179.6 | 101.5 | 0 | 0 | 109.6 | P42 L43 | E19-P42 HydrophobicContact CG-CB 3.98Å; E19-L43 WeakPolarHBondContact CA-O 3.35Å |
| 20 | K | 97.4 | Very high | 95.1 | Very high | 129 Ų | 129 | 80.3 Ų | 80.3 | 56% | 0.561 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 142.1 | 176.6 | -174.5 | -177.2 | 174.8 | -172.9 | 0 | 109.4 | M18 V22 L43 | M18-K20 PolarHBondContact O-N 3.24Å; K20-V22 PolarHBondContact O-N 3.23Å; K20-L43 PolarHBondContact N-O 3.12Å; K20-L43 PolarHBondContact O-N 3.02Å |
| 21 | L | 98.3 | Very high | 94 | Very high | 109 Ų | 109 | 78.1 Ų | 78.1 | 57% | 0.571 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 122.8 | 168.1 | -62.8 | 178.6 | 0 | 0 | 0 | 110 | C40 V41 P42 | L21-C40 HydrophobicContact CB-CB 4.47Å; L21-V41 WeakPolarHBondContact CA-O 3.35Å; L21-P42 HydrophobicContact CD2-CB 4.17Å |
| 22 | V | 97.3 | Very high | 92.9 | Very high | 8 Ų | 8 | 82.1 Ų | 82.1 | 5% | 0.048 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 130.6 | 178.2 | -176.7 | 0 | 0 | 0 | 0 | 108.6 | K20 E27 C40 V41 L43 R45 | K20-V22 PolarHBondContact O-N 3.23Å; V22-E27 HydrophobicContact CG1-CG 3.68Å; V22-E27 WeakPolarHBondContact CG1-OE1 3.29Å; V22-C40 CarbonylContact O-C 3.59Å; V22-C40 WeakPolarHBondContact O-CA 3.38Å; V22-C40 WeakPolarHBondContact O-CB 3.41Å; V22-V41 PolarHBondContact N-O 3.11Å; V22-V41 PolarHBondContact O-N 3.1Å; V22-L43 HydrophobicContact CB-CD1 4.03Å; V22-L43 HydrophobicContact CG2-CB 4.29Å; V22-L43 HydrophobicContact CG2-CD1 4.11Å; V22-R45 HydrophobicContact CG2-CG 4.34Å |
| 23 | E | 96.5 | Very high | 92.1 | Very high | 100 Ų | 100 | 82.6 Ų | 82.6 | 47% | 0.467 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 132.2 | 176.7 | -68.4 | -178.7 | 172.1 | 0 | 0 | 110.6 | V25 Q26 | E23-V25 VanDerWaalsContact C-N 3.25Å; E23-V25 HydrophobicContact CB-CG2 4.2Å; E23-V25 PolarHBondContact O-N 3.11Å; E23-Q26 HydrophobicContact CB-CB 4.41Å; E23-Q26 HydrophobicContact CB-CG 3.92Å; E23-Q26 WeakPolarHBondContact O-CB 3.33Å; E23-Q26 PolarHBondContact O-N 2.64Å; E23-Q26 VanDerWaalsContact O-N 3.09Å; E23-Q26 PolarHBondContact OE2-NE2 2.77Å |
| 24 | V | 95.7 | Very high | 91.6 | Very high | 1 Ų | 1 | 82.1 Ų | 82.1 | 1% | 0.006 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.3 | -38.7 | -177.1 | 177 | 0 | 0 | 0 | 0 | 111.2 | Q26 E27 Y28 Y36 S39 V41 L69 M84 F86 | V24-Q26 VanDerWaalsContact C-N 3.27Å; V24-Q26 PolarHBondContact O-N 2.92Å; V24-E27 PolarHBondContact O-N 3.1Å; V24-Y28 HydrophobicContact CG1-CD2 4.49Å; V24-Y28 PolarHBondContact O-N 2.85Å; V24-Y36 HydrophobicContact CB-CD2 4.33Å; V24-Y36 HydrophobicContact CB-CG 4.47Å; V24-Y36 HydrophobicContact CG1-CD1 4.37Å; V24-Y36 HydrophobicContact CG1-CD2 3.6Å; V24-Y36 HydrophobicContact CG1-CE2 4.09Å; V24-Y36 HydrophobicContact CG1-CG 3.76Å; V24-S39 WeakPolarHBondContact CG2-O 3.41Å; V24-S39 PolarHBondContact N-O 2.75Å; V24-V41 HydrophobicContact CG2-CG1 4.16Å; V24-L69 HydrophobicContact CB-CD2 4.47Å; V24-L69 HydrophobicContact CG1-CD2 4.16Å; V24-L69 HydrophobicContact CG2-CD2 3.5Å; V24-L69 VanDerWaalsContact CG2-CD2 3.5Å; V24-M84 HydrophobicContact CG1-CE 3.32Å; V24-F86 HydrophobicContact CG1-CE1 4.46Å; V24-F86 HydrophobicContact CG1-CZ 4.34Å; V24-F86 HydrophobicContact CG2-CE1 4.48Å; V24-F86 HydrophobicContact CG2-CZ 4.27Å |
| 25 | V | 92.7 | Very high | 91.3 | Very high | 76 Ų | 76 | 82.8 Ų | 82.8 | 46% | 0.461 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -67.5 | -23.2 | 179.5 | -62.7 | 0 | 0 | 0 | 0 | 113.8 | E23 Y28 P29 | E23-V25 VanDerWaalsContact C-N 3.25Å; E23-V25 HydrophobicContact CB-CG2 4.2Å; E23-V25 PolarHBondContact O-N 3.11Å; V25-Y28 CarbonylContact O-C 3.57Å; V25-P29 VanDerWaalsContact O-CA 3.31Å; V25-P29 WeakPolarHBondContact O-CA 3.18Å |
| 26 | Q | 93.1 | Very high | 91.2 | Very high | 124 Ų | 124 | 82.7 Ų | 82.7 | 58% | 0.579 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -75 | -34.5 | 175.4 | -67.9 | 178.2 | 14.6 | 0 | 0 | 111.2 | E23 V24 | E23-Q26 HydrophobicContact CB-CB 4.41Å; E23-Q26 HydrophobicContact CB-CG 3.92Å; E23-Q26 WeakPolarHBondContact O-CB 3.33Å; E23-Q26 PolarHBondContact O-N 2.64Å; E23-Q26 VanDerWaalsContact O-N 3.09Å; E23-Q26 PolarHBondContact OE2-NE2 2.77Å; V24-Q26 VanDerWaalsContact C-N 3.27Å; V24-Q26 PolarHBondContact O-N 2.92Å |
| 27 | E | 94.5 | Very high | 91.1 | Very high | 66 Ų | 66 | 80.4 Ų | 80.4 | 31% | 0.308 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -78.9 | -29.8 | 176.5 | -60.9 | -73.2 | 138.4 | 0 | 0 | 111.5 | V22 V24 P29 R45 F86 | V22-E27 HydrophobicContact CG1-CG 3.68Å; V22-E27 WeakPolarHBondContact CG1-OE1 3.29Å; V24-E27 PolarHBondContact O-N 3.1Å; E27-P29 VanDerWaalsContact C-CD 3.45Å; E27-P29 WeakPolarHBondContact O-CD 3.4Å; E27-R45 IonicContact OE1-CZ 3.97Å; E27-R45 IonicContact OE1-NH1 2.63Å; E27-R45 PolarHBondContact OE1-NH1 2.91Å; E27-R45 IonicContact OE1-NH2 2.78Å; E27-R45 PolarHBondContact OE1-NH2 2.66Å; E27-R45 IonicContact OE2-CZ 2.78Å; E27-R45 IonicContact OE2-NH1 3.15Å; E27-R45 IonicContact OE2-NH2 3.46Å; E27-R45 PolarHBondContact OE2-NH2 3.25Å; E27-F86 HydrophobicContact CB-CD1 4.26Å; E27-F86 HydrophobicContact CB-CE1 4.32Å; E27-F86 HydrophobicContact CG-CD1 4.16Å; E27-F86 HydrophobicContact CG-CE1 4.46Å |
| 28 | Y | 92.8 | Very high | 91 | Very high | 66 Ų | 66 | 81.1 Ų | 81.1 | 26% | 0.259 | 42% | 0.423 | S | S | . | . | trans | -125 | 65 | -178.3 | -68.6 | -88.1 | 0 | 0 | 0 | 112.5 | V24 V25 T30 E31 M84 T85 F86 | V24-Y28 HydrophobicContact CG1-CD2 4.49Å; V24-Y28 PolarHBondContact O-N 2.85Å; V25-Y28 CarbonylContact O-C 3.57Å; Y28-T30 PolarHBondContact O-N 2.51Å; Y28-T30 VanDerWaalsContact O-N 3.13Å; Y28-E31 PolarHBondContact O-N 2.89Å; Y28-M84 HydrophobicContact CD2-CE 3.63Å; Y28-M84 HydrophobicContact CE2-CE 3.83Å; Y28-M84 HydrophobicContact CG-CE 4.03Å; Y28-T85 PolarHBondContact OH-N 2.9Å; Y28-T85 PolarHBondContact OH-O 3.46Å; Y28-F86 HydrophobicContact CD2-CE1 4.15Å; Y28-F86 HydrophobicContact CE2-CD1 4.08Å; Y28-F86 AromaticContact CE2-CE1 3.74Å; Y28-F86 HydrophobicContact CE2-CE1 3.74Å; Y28-F86 HydrophobicContact CE2-CZ 4.23Å | ||
| 29 | P | 86.8 | Confident | 90.9 | Very high | 91 Ų | 91 | 82.4 Ų | 82.4 | 59% | 0.591 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -14.4 | -173.4 | 27.9 | -36.2 | 0 | 0 | 0 | 114.3 | V25 E27 E31 V32 | V25-P29 VanDerWaalsContact O-CA 3.31Å; V25-P29 WeakPolarHBondContact O-CA 3.18Å; E27-P29 VanDerWaalsContact C-CD 3.45Å; E27-P29 WeakPolarHBondContact O-CD 3.4Å; P29-E31 VanDerWaalsContact C-N 3.34Å; P29-V32 WeakPolarHBondContact O-CG1 3.47Å |
| 30 | T | 81.8 | Confident | 90.9 | Very high | 117 Ų | 117 | 77 Ų | 77 | 72% | 0.718 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -15 | 178.6 | 49.9 | 0 | 0 | 0 | 0 | 113.4 | Y28 V32 | Y28-T30 PolarHBondContact O-N 2.51Å; Y28-T30 VanDerWaalsContact O-N 3.13Å; T30-V32 VanDerWaalsContact C-N 3.31Å; T30-V32 PolarHBondContact O-N 2.84Å; T30-V32 VanDerWaalsContact O-N 3.17Å |
| 31 | E | 72.7 | Confident | 90.9 | Very high | 61 Ų | 61 | 71 Ų | 71 | 29% | 0.285 | 39% | 0.391 | S | S | . | . | trans | -90.7 | 53.2 | -175.1 | -65.8 | -68.4 | 144.1 | 0 | 0 | 112.1 | Y28 P29 E33 H34 Y36 K71 | Y28-E31 PolarHBondContact O-N 2.89Å; P29-E31 VanDerWaalsContact C-N 3.34Å; E31-E33 VanDerWaalsContact C-N 3.26Å; E31-E33 PolarHBondContact O-N 2.92Å; E31-H34 IonicContact OE2-CE1 3.35Å; E31-H34 PolarHBondContact OE2-CE1 2.79Å; E31-H34 IonicContact OE2-ND1 3.03Å; E31-H34 PolarHBondContact OE2-ND1 2.82Å; E31-Y36 HydrophobicContact CB-CE2 4.18Å; E31-Y36 PolarHBondContact OE2-OH 3.21Å; E31-K71 IonicContact OE2-NZ 3.28Å; E31-K71 PolarHBondContact OE2-NZ 2.88Å | ||
| 32 | V | 71.1 | Confident | 90.9 | Very high | 124 Ų | 124 | 68.6 Ų | 68.6 | 75% | 0.752 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -13.9 | -170 | -65.4 | 0 | 0 | 0 | 0 | 115.3 | P29 T30 | P29-V32 WeakPolarHBondContact O-CG1 3.47Å; T30-V32 VanDerWaalsContact C-N 3.31Å; T30-V32 PolarHBondContact O-N 2.84Å; T30-V32 VanDerWaalsContact O-N 3.17Å |
| 33 | E | 79.6 | Confident | 91 | Very high | 147 Ų | 147 | 68.2 Ų | 68.2 | 69% | 0.687 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 1 | -176 | -61.7 | -175.7 | 171.2 | 0 | 0 | 113.4 | E31 P74 | E31-E33 VanDerWaalsContact C-N 3.26Å; E31-E33 PolarHBondContact O-N 2.92Å; E33-P74 WeakPolarHBondContact O-CD 3.24Å |
| 34 | H | 85.9 | Confident | 91.1 | Very high | 34 Ų | 34 | 65.5 Ų | 65.5 | 16% | 0.157 | 37% | 0.369 | C | S | . | . | trans | -120.5 | 141.3 | -167.8 | -57.5 | 113.8 | 0 | 0 | 0 | 112.8 | E31 Y36 K71 R73 | E31-H34 IonicContact OE2-CE1 3.35Å; E31-H34 PolarHBondContact OE2-CE1 2.79Å; E31-H34 IonicContact OE2-ND1 3.03Å; E31-H34 PolarHBondContact OE2-ND1 2.82Å; H34-Y36 HydrophobicContact CB-CE2 4Å; H34-K71 HydrophobicContact CB-CG 4.28Å; H34-K71 WeakPolarHBondContact CD2-CE 3.29Å; H34-K71 VanDerWaalsContact CE1-CE 3.41Å; H34-K71 WeakPolarHBondContact CE1-CE 3.45Å; H34-K71 PolarHBondContact CE1-NZ 2.03Å; H34-K71 VanDerWaalsContact CE1-NZ 3.33Å; H34-K71 WeakPolarHBondContact ND1-CE 3.22Å; H34-K71 PolarHBondContact ND1-NZ 3.33Å; H34-K71 WeakPolarHBondContact NE2-CE 3.07Å; H34-R73 VanDerWaalsContact CD2-CG 3.43Å; H34-R73 WeakPolarHBondContact CD2-CG 3.49Å | ||
| 35 | I | 91.7 | Very high | 91.2 | Very high | 97 Ų | 97 | 67 Ų | 67 | 50% | 0.497 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 130.5 | 167.4 | -59.3 | 172.1 | 0 | 0 | 0 | 107.5 | I72 P74 | I35-I72 HydrophobicContact CB-CB 4.27Å; I35-I72 PolarHBondContact N-O 2.98Å; I35-I72 PolarHBondContact O-N 2.87Å; I35-P74 HydrophobicContact CD1-CG 3.94Å; I35-P74 HydrophobicContact CG1-CG 4.28Å |
| 36 | Y | 94.8 | Very high | 91.5 | Very high | 10 Ų | 10 | 64.4 Ų | 64.4 | 4% | 0.039 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 136.8 | 176.1 | -65.3 | -77.9 | 0 | 0 | 0 | 110.6 | V24 E31 H34 P38 S39 L70 K71 V82 M84 | V24-Y36 HydrophobicContact CB-CD2 4.33Å; V24-Y36 HydrophobicContact CB-CG 4.47Å; V24-Y36 HydrophobicContact CG1-CD1 4.37Å; V24-Y36 HydrophobicContact CG1-CD2 3.6Å; V24-Y36 HydrophobicContact CG1-CE2 4.09Å; V24-Y36 HydrophobicContact CG1-CG 3.76Å; E31-Y36 HydrophobicContact CB-CE2 4.18Å; E31-Y36 PolarHBondContact OE2-OH 3.21Å; H34-Y36 HydrophobicContact CB-CE2 4Å; Y36-P38 CarbonylContact C-O 3.55Å; Y36-P38 CarbonylContact O-C 3.58Å; Y36-P38 VanDerWaalsContact O-C 3.27Å; Y36-S39 WeakPolarHBondContact O-CA 3.14Å; Y36-S39 PolarHBondContact O-N 3.33Å; Y36-L70 CarbonylContact C-O 3.51Å; Y36-L70 WeakPolarHBondContact CA-O 3.37Å; Y36-K71 HydrophobicContact CD1-CB 4.3Å; Y36-K71 HydrophobicContact CD1-CG 4.47Å; Y36-K71 HydrophobicContact CE1-CB 4.09Å; Y36-K71 HydrophobicContact CE1-CD 4.08Å; Y36-K71 HydrophobicContact CE1-CG 3.93Å; Y36-V82 HydrophobicContact CE1-CG2 4.25Å; Y36-M84 HydrophobicContact CD1-CE 4.2Å; Y36-M84 HydrophobicContact CE1-CE 3.79Å; Y36-M84 HydrophobicContact CE1-SD 4.02Å; Y36-M84 HydrophobicContact CE2-CE 4.32Å |
| 37 | S | 95.5 | Very high | 91.7 | Very high | 62 Ų | 62 | 60 Ų | 60 | 43% | 0.434 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 118.6 | 172.1 | -175.3 | 0 | 0 | 0 | 0 | 110.2 | L70 | S37-L70 PolarHBondContact N-O 3.22Å; S37-L70 WeakPolarHBondContact O-CB 3Å; S37-L70 PolarHBondContact O-N 3.23Å |
| 38 | P | 97.4 | Very high | 91.8 | Very high | 71 Ų | 71 | 58.7 Ų | 58.7 | 46% | 0.461 | 35% | 0.349 | S | S | . | . | S | Bend | cis | -65.4 | 157.4 | -6.2 | 31.4 | -37.7 | 0 | 0 | 0 | 112.7 | Y36 C40 | Y36-P38 CarbonylContact C-O 3.55Å; Y36-P38 CarbonylContact O-C 3.58Å; Y36-P38 VanDerWaalsContact O-C 3.27Å; P38-C40 VanDerWaalsContact C-N 3.32Å; P38-C40 WeakPolarHBondContact CB-O 3.39Å; P38-C40 WeakPolarHBondContact CG-O 3.31Å |
| 39 | S | 96 | Very high | 91.9 | Very high | 84 Ų | 84 | 58.5 Ų | 58.5 | 59% | 0.587 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -80.3 | -13.5 | 178.4 | 59.6 | 0 | 0 | 0 | 0 | 113.7 | V24 Y36 | V24-S39 WeakPolarHBondContact CG2-O 3.41Å; V24-S39 PolarHBondContact N-O 2.75Å; Y36-S39 WeakPolarHBondContact O-CA 3.14Å; Y36-S39 PolarHBondContact O-N 3.33Å |
| 40 | C | 97.4 | Very high | 92.4 | Very high | 40 Ų | 40 | 54.9 Ų | 54.9 | 27% | 0.27 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 153 | 173 | 64.9 | 0 | 0 | 0 | 0 | 110.6 | L21 V22 P38 | L21-C40 HydrophobicContact CB-CB 4.47Å; V22-C40 CarbonylContact O-C 3.59Å; V22-C40 WeakPolarHBondContact O-CA 3.38Å; V22-C40 WeakPolarHBondContact O-CB 3.41Å; P38-C40 VanDerWaalsContact C-N 3.32Å; P38-C40 WeakPolarHBondContact CB-O 3.39Å; P38-C40 WeakPolarHBondContact CG-O 3.31Å |
| 41 | V | 98.1 | Very high | 92.9 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.024 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 145.3 | -179.6 | -69.5 | 0 | 0 | 0 | 0 | 110.8 | L21 V22 V24 L43 M67 L69 F86 | L21-V41 WeakPolarHBondContact CA-O 3.35Å; V22-V41 PolarHBondContact N-O 3.11Å; V22-V41 PolarHBondContact O-N 3.1Å; V24-V41 HydrophobicContact CG2-CG1 4.16Å; V41-L43 HydrophobicContact CG2-CD1 3.94Å; V41-L43 HydrophobicContact CG2-CD2 4.47Å; V41-L43 HydrophobicContact CG2-CG 3.98Å; V41-L43 PolarHBondContact O-N 2.85Å; V41-M67 HydrophobicContact CB-SD 3.79Å; V41-M67 HydrophobicContact CG1-SD 3.99Å; V41-M67 HydrophobicContact CG2-SD 4.35Å; V41-L69 HydrophobicContact CG1-CD1 4.04Å; V41-L69 HydrophobicContact CG1-CD2 4.07Å; V41-L69 HydrophobicContact CG1-CG 4.39Å; V41-F86 HydrophobicContact CG1-CE2 4.3Å; V41-F86 HydrophobicContact CG1-CZ 4.21Å; V41-F86 HydrophobicContact CG2-CD1 3.95Å; V41-F86 HydrophobicContact CG2-CD2 4.34Å; V41-F86 HydrophobicContact CG2-CE1 3.76Å; V41-F86 HydrophobicContact CG2-CE2 4.17Å; V41-F86 HydrophobicContact CG2-CG 4.23Å; V41-F86 HydrophobicContact CG2-CZ 3.88Å |
| 42 | P | 98.2 | Very high | 93.9 | Very high | 57 Ų | 57 | 52.9 Ų | 52.9 | 37% | 0.37 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 121.4 | 172.9 | 30.4 | -31.9 | 0 | 0 | 0 | 109.6 | E19 L21 M67 | E19-P42 HydrophobicContact CG-CB 3.98Å; L21-P42 HydrophobicContact CD2-CB 4.17Å; P42-M67 WeakPolarHBondContact O-CE 3.36Å |
| 43 | L | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 141.6 | 176.7 | -66.3 | 172 | 0 | 0 | 0 | 110.8 | E19 K20 V22 V41 R45 V65 M67 F86 E88 | E19-L43 WeakPolarHBondContact CA-O 3.35Å; K20-L43 PolarHBondContact N-O 3.12Å; K20-L43 PolarHBondContact O-N 3.02Å; V22-L43 HydrophobicContact CB-CD1 4.03Å; V22-L43 HydrophobicContact CG2-CB 4.29Å; V22-L43 HydrophobicContact CG2-CD1 4.11Å; V41-L43 HydrophobicContact CG2-CD1 3.94Å; V41-L43 HydrophobicContact CG2-CD2 4.47Å; V41-L43 HydrophobicContact CG2-CG 3.98Å; V41-L43 PolarHBondContact O-N 2.85Å; L43-R45 HydrophobicContact CB-CG 4.24Å; L43-R45 VanDerWaalsContact CD1-NH2 3.28Å; L43-R45 PolarHBondContact O-N 2.83Å; L43-V65 HydrophobicContact CD2-CG1 3.74Å; L43-M67 HydrophobicContact CD2-CE 3.76Å; L43-M67 HydrophobicContact CD2-SD 4.46Å; L43-F86 HydrophobicContact CD1-CB 3.73Å; L43-F86 HydrophobicContact CD1-CD1 4Å; L43-F86 HydrophobicContact CD1-CG 4.08Å; L43-F86 HydrophobicContact CD2-CB 3.49Å; L43-F86 VanDerWaalsContact CD2-CB 3.49Å; L43-F86 HydrophobicContact CD2-CG 4.13Å; L43-F86 HydrophobicContact CG-CB 4.27Å; L43-E88 HydrophobicContact CD2-CG 3.88Å |
| 44 | V | 98.5 | Very high | 95.6 | Very high | 44 Ų | 44 | 53.2 Ų | 53.2 | 27% | 0.267 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 115.6 | 168.5 | -177.8 | 0 | 0 | 0 | 0 | 109.4 | T17 E88 H89 | T17-V44 HydrophobicContact CG2-CG1 3.98Å; V44-E88 HydrophobicContact CB-CB 4.38Å; V44-E88 HydrophobicContact CB-CG 4.46Å; V44-E88 PolarHBondContact N-OE1 3.13Å; V44-E88 WeakPolarHBondContact O-CA 3.46Å; V44-H89 VanDerWaalsContact CG1-O 3.29Å; V44-H89 WeakPolarHBondContact CG1-O 2.93Å; V44-H89 PolarHBondContact O-N 2.03Å |
| 45 | R | 98.4 | Very high | 96.1 | Very high | 33 Ų | 33 | 53.8 Ų | 53.8 | 13% | 0.125 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 154.5 | 180 | -64.5 | -68.1 | 174.3 | 91.5 | -14.7 | 111 | T17 M18 V22 E27 L43 A47 V87 | T17-R45 WeakPolarHBondContact CA-O 3.37Å; M18-R45 PolarHBondContact N-O 2.78Å; M18-R45 PolarHBondContact O-N 2.93Å; V22-R45 HydrophobicContact CG2-CG 4.34Å; E27-R45 IonicContact OE1-CZ 3.97Å; E27-R45 IonicContact OE1-NH1 2.63Å; E27-R45 PolarHBondContact OE1-NH1 2.91Å; E27-R45 IonicContact OE1-NH2 2.78Å; E27-R45 PolarHBondContact OE1-NH2 2.66Å; E27-R45 IonicContact OE2-CZ 2.78Å; E27-R45 IonicContact OE2-NH1 3.15Å; E27-R45 IonicContact OE2-NH2 3.46Å; E27-R45 PolarHBondContact OE2-NH2 3.25Å; L43-R45 HydrophobicContact CB-CG 4.24Å; L43-R45 VanDerWaalsContact CD1-NH2 3.28Å; L43-R45 PolarHBondContact O-N 2.83Å; R45-A47 PolarHBondContact O-N 2.9Å; R45-V87 PolarHBondContact NE-O 3.47Å; R45-V87 PolarHBondContact NH2-O 2.96Å |
| 46 | C | 98.3 | Very high | 96.3 | Very high | 20 Ų | 20 | 53.4 Ų | 53.4 | 14% | 0.135 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 127.1 | 171.9 | -67.8 | 0 | 0 | 0 | 0 | 109 | R16 P59 H89 C92 | R16-C46 WeakPolarHBondContact O-CA 3.39Å; C46-P59 VanDerWaalsContact SG-CA 3.51Å; C46-H89 WeakPolarHBondContact CB-ND1 3.45Å; C46-H89 PolarHBondContact N-ND1 3.05Å; C46-H89 PolarHBondContact SG-ND1 3.01Å; C46-C92 WeakPolarHBondContact CA-SG 3.48Å; C46-C92 HydrophobicContact CB-CB 3.85Å; C46-C92 WeakPolarHBondContact CB-SG 3.06Å; C46-C92 VanDerWaalsContact SG-CA 3.58Å; C46-C92 WeakPolarHBondContact SG-CB 3.23Å; C46-C92 CovalentContact SG-SG 2.03Å; C46-C92 PolarHBondContact SG-SG 3.12Å |
| 47 | A | 97.3 | Very high | 96.4 | Very high | 31 Ų | 31 | 54 Ų | 54 | 26% | 0.256 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 164.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110 | C15 R16 M18 R45 | C15-A47 WeakPolarHBondContact CA-O 3.43Å; R16-A47 PolarHBondContact N-O 2.85Å; R16-A47 PolarHBondContact O-N 2.63Å; R16-A47 VanDerWaalsContact O-O 3.04Å; M18-A47 VanDerWaalsContact CE-C 3.45Å; M18-A47 HydrophobicContact CE-CB 3.31Å; R45-A47 PolarHBondContact O-N 2.9Å |
| 48 | G | 96.4 | Very high | 96.5 | Very high | 40 Ų | 40 | 54 Ų | 54 | 41% | 0.412 | 33% | 0.329 | S | S | . | . | S | Bend | trans | 113 | 177.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S13 | S13-G48 CarbonylContact O-C 3.44Å; S13-G48 WeakPolarHBondContact O-CA 3.49Å |
| 49 | C | 95.9 | Very high | 96.6 | Very high | 61 Ų | 61 | 52.5 Ų | 52.5 | 41% | 0.412 | 32% | 0.319 | S | S | . | . | B | Isolated β-bridge | trans | -103.5 | 157 | 178.7 | 61.6 | 0 | 0 | 0 | 0 | 111.3 | S13 F14 C15 | S13-C49 PolarHBondContact O-N 2.8Å; S13-C49 PolarHBondContact O-SG 2.89Å; F14-C49 WeakPolarHBondContact CA-O 3.02Å; C15-C49 PolarHBondContact N-O 3.35Å |
| 50 | C | 96.9 | Very high | 96.7 | Very high | 16 Ų | 16 | 51.4 Ų | 51.4 | 11% | 0.108 | 31% | 0.309 | C | S | . | . | trans | -104.3 | 6 | -178 | -74.4 | 0 | 0 | 0 | 0 | 113.5 | D52 L55 C94 | C50-D52 PolarHBondContact O-N 3.36Å; C50-L55 HydrophobicContact CB-CB 3.48Å; C50-L55 VanDerWaalsContact CB-CB 3.48Å; C50-L55 HydrophobicContact CB-CD1 4.17Å; C50-L55 HydrophobicContact CB-CG 4.47Å; C50-C94 WeakPolarHBondContact CA-SG 3.34Å; C50-C94 HydrophobicContact CB-CB 3.67Å; C50-C94 WeakPolarHBondContact CB-SG 3.21Å; C50-C94 VanDerWaalsContact SG-CA 3.54Å; C50-C94 WeakPolarHBondContact SG-CB 3.32Å; C50-C94 CovalentContact SG-SG 2.03Å; C50-C94 PolarHBondContact SG-SG 2.91Å | ||
| 51 | G | 93 | Very high | 96.7 | Very high | 58 Ų | 58 | 54.1 Ų | 54.1 | 60% | 0.598 | 32% | 0.318 | S | S | * | . | S | Bend | trans | 73.1 | -16 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 52 | D | 94 | Very high | 96.7 | Very high | 78 Ų | 78 | 57.3 Ų | 57.3 | 42% | 0.417 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -125.5 | 131.7 | 175.8 | -171.6 | -42.4 | 0 | 0 | 0 | 109.8 | C50 N54 L55 | C50-D52 PolarHBondContact O-N 3.36Å; D52-N54 PolarHBondContact O-N 2.91Å; D52-N54 WeakPolarHBondContact OD1-CA 3.43Å; D52-N54 VanDerWaalsContact OD1-CB 3.23Å; D52-N54 WeakPolarHBondContact OD1-CB 3.16Å; D52-N54 PolarHBondContact OD1-N 2.9Å; D52-N54 PolarHBondContact OD1-ND2 3.03Å; D52-L55 HydrophobicContact CB-CB 4.39Å; D52-L55 HydrophobicContact CB-CD1 3.9Å; D52-L55 HydrophobicContact CB-CG 3.91Å; D52-L55 PolarHBondContact O-N 2.82Å |
| 53 | E | 91.6 | Very high | 96.8 | Very high | 169 Ų | 169 | 56.3 Ų | 56.3 | 79% | 0.79 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -18.9 | -178.6 | -60.6 | -170.9 | 150.9 | 0 | 0 | 113.6 | L55 R97 | E53-L55 VanDerWaalsContact C-N 3.28Å; E53-R97 VanDerWaalsContact O-CD 3.3Å; E53-R97 WeakPolarHBondContact O-CD 3.35Å; E53-R97 PolarHBondContact O-NE 3.37Å; E53-R97 VanDerWaalsContact O-NE 3.13Å; E53-R97 PolarHBondContact O-NH1 3.49Å; E53-R97 VanDerWaalsContact O-NH1 3.15Å |
| 54 | N | 93.7 | Very high | 96.8 | Very high | 109 Ų | 109 | 61.8 Ų | 61.8 | 58% | 0.583 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -7.1 | 174.3 | -55.3 | -67 | 0 | 0 | 0 | 112.4 | D52 R97 | D52-N54 PolarHBondContact O-N 2.91Å; D52-N54 WeakPolarHBondContact OD1-CA 3.43Å; D52-N54 VanDerWaalsContact OD1-CB 3.23Å; D52-N54 WeakPolarHBondContact OD1-CB 3.16Å; D52-N54 PolarHBondContact OD1-N 2.9Å; D52-N54 PolarHBondContact OD1-ND2 3.03Å; N54-R97 WeakPolarHBondContact O-CB 3.34Å; N54-R97 WeakPolarHBondContact O-CG 3.42Å; N54-R97 PolarHBondContact O-N 2.9Å |
| 55 | L | 96.3 | Very high | 96.7 | Very high | 46 Ų | 46 | 61.5 Ų | 61.5 | 24% | 0.241 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 156.1 | 176.4 | -60.5 | 180 | 0 | 0 | 0 | 111.4 | C50 D52 E53 C94 R95 V96 R97 | C50-L55 HydrophobicContact CB-CB 3.48Å; C50-L55 VanDerWaalsContact CB-CB 3.48Å; C50-L55 HydrophobicContact CB-CD1 4.17Å; C50-L55 HydrophobicContact CB-CG 4.47Å; D52-L55 HydrophobicContact CB-CB 4.39Å; D52-L55 HydrophobicContact CB-CD1 3.9Å; D52-L55 HydrophobicContact CB-CG 3.91Å; D52-L55 PolarHBondContact O-N 2.82Å; E53-L55 VanDerWaalsContact C-N 3.28Å; L55-C94 HydrophobicContact CB-CB 4.36Å; L55-C94 HydrophobicContact CD1-CB 4.12Å; L55-R95 CarbonylContact C-O 3.51Å; L55-R95 VanDerWaalsContact CA-O 3.31Å; L55-R95 WeakPolarHBondContact CA-O 3.31Å; L55-V96 HydrophobicContact CD2-CB 4.48Å; L55-V96 HydrophobicContact CD2-CG2 3.9Å; L55-R97 PolarHBondContact O-NE 3.41Å |
| 56 | E | 96.4 | Very high | 96.7 | Very high | 89 Ų | 89 | 63.6 Ų | 63.6 | 42% | 0.416 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 143.5 | 175.2 | -173.2 | 177.6 | -160.3 | 0 | 0 | 109.7 | H58 C94 R95 R97 | E56-H58 VanDerWaalsContact CG-NE2 3.35Å; E56-H58 WeakPolarHBondContact CG-NE2 3.29Å; E56-H58 PolarHBondContact O-CD2 3.46Å; E56-H58 PolarHBondContact O-N 3.4Å; E56-H58 IonicContact OE2-CD2 3.85Å; E56-H58 IonicContact OE2-CE1 2.66Å; E56-H58 PolarHBondContact OE2-CE1 2.78Å; E56-H58 IonicContact OE2-NE2 3.04Å; E56-H58 PolarHBondContact OE2-NE2 3.09Å; E56-C94 WeakPolarHBondContact O-CA 3.45Å; E56-R95 PolarHBondContact N-O 3.05Å; E56-R95 PolarHBondContact O-N 2.78Å; E56-R97 HydrophobicContact CB-CG 3.8Å |
| 57 | C | 97.8 | Very high | 96.7 | Very high | 23 Ų | 23 | 64.6 Ų | 64.6 | 16% | 0.155 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 114.5 | -178.7 | -173.9 | 0 | 0 | 0 | 0 | 109.7 | C15 | C15-C57 WeakPolarHBondContact CA-SG 3.48Å; C15-C57 HydrophobicContact CB-CB 3.73Å; C15-C57 WeakPolarHBondContact CB-SG 3.33Å; C15-C57 VanDerWaalsContact SG-CA 3.51Å; C15-C57 WeakPolarHBondContact SG-CB 3.34Å; C15-C57 CovalentContact SG-SG 2.03Å; C15-C57 PolarHBondContact SG-SG 2.84Å |
| 58 | H | 97.6 | Very high | 96.8 | Very high | 61 Ų | 61 | 69.2 Ų | 69.2 | 28% | 0.282 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 148.1 | -176 | -77.8 | -78.5 | 0 | 0 | 0 | 111.4 | E56 C92 E93 | E56-H58 VanDerWaalsContact CG-NE2 3.35Å; E56-H58 WeakPolarHBondContact CG-NE2 3.29Å; E56-H58 PolarHBondContact O-CD2 3.46Å; E56-H58 PolarHBondContact O-N 3.4Å; E56-H58 IonicContact OE2-CD2 3.85Å; E56-H58 IonicContact OE2-CE1 2.66Å; E56-H58 PolarHBondContact OE2-CE1 2.78Å; E56-H58 IonicContact OE2-NE2 3.04Å; E56-H58 PolarHBondContact OE2-NE2 3.09Å; H58-C92 CarbonylContact O-C 3.52Å; H58-C92 WeakPolarHBondContact O-CA 3.46Å; H58-E93 PolarHBondContact N-O 3.47Å; H58-E93 PolarHBondContact O-N 2.85Å |
| 59 | P | 98.1 | Very high | 96.8 | Very high | 40 Ų | 40 | 67.4 Ų | 67.4 | 26% | 0.26 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 144.4 | 171.8 | 27.7 | -32.9 | 0 | 0 | 0 | 112 | C46 T62 H89 T91 | C46-P59 VanDerWaalsContact SG-CA 3.51Å; P59-T62 HydrophobicContact CB-CG2 4.04Å; P59-H89 HydrophobicContact CB-CB 4.07Å; P59-T91 WeakPolarHBondContact CA-O 3.47Å |
| 60 | T | 97.8 | Very high | 96.9 | Very high | 61 Ų | 61 | 65.5 Ų | 65.5 | 37% | 0.374 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | -34 | 170.9 | 53.8 | 0 | 0 | 0 | 0 | 112.4 | T91 E93 | T60-T91 PolarHBondContact N-O 3.28Å; T60-T91 VanDerWaalsContact OG1-CB 3.29Å; T60-T91 WeakPolarHBondContact OG1-CB 3.47Å; T60-T91 PolarHBondContact OG1-O 2.93Å; T60-T91 PolarHBondContact OG1-OG1 2.95Å; T60-E93 HydrophobicContact CG2-CB 3.72Å; T60-E93 HydrophobicContact CG2-CG 3.3Å; T60-E93 WeakPolarHBondContact CG2-OE1 3.46Å; T60-E93 WeakPolarHBondContact CG2-OE2 3.4Å |
| 61 | E | 98.4 | Very high | 96.7 | Very high | 97 Ų | 97 | 66.1 Ų | 66.1 | 45% | 0.453 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 142.3 | 172.7 | -169 | -172.8 | 163 | 0 | 0 | 109.7 | K90 T91 | E61-K90 HydrophobicContact CB-CB 4.27Å; E61-K90 HydrophobicContact CG-CB 4.43Å; E61-K90 HydrophobicContact CG-CD 4.2Å; E61-K90 PolarHBondContact O-N 2.92Å; E61-K90 WeakPolarHBondContact OE1-CD 3.02Å; E61-K90 IonicContact OE1-NZ 3.24Å; E61-K90 PolarHBondContact OE1-NZ 2.86Å; E61-T91 VanDerWaalsContact CB-OG1 3.29Å; E61-T91 WeakPolarHBondContact CB-OG1 3.45Å; E61-T91 PolarHBondContact N-OG1 3.44Å |
| 62 | T | 98.6 | Very high | 96.7 | Very high | 70 Ų | 70 | 65.8 Ų | 65.8 | 43% | 0.429 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 160.9 | 177.6 | 58.4 | 0 | 0 | 0 | 0 | 111.8 | P59 V87 E88 | P59-T62 HydrophobicContact CB-CG2 4.04Å; T62-V87 HydrophobicContact CG2-CG1 3.89Å; T62-E88 CarbonylContact C-O 3.27Å; T62-E88 WeakPolarHBondContact CA-O 3.46Å; T62-E88 VanDerWaalsContact CB-O 3.24Å; T62-E88 WeakPolarHBondContact CB-O 3.43Å |
| 63 | S | 98.4 | Very high | 96.6 | Very high | 36 Ų | 36 | 65.9 Ų | 65.9 | 25% | 0.252 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 161.8 | 167.8 | 35.8 | 0 | 0 | 0 | 0 | 110.5 | E88 K90 | S63-E88 PolarHBondContact N-O 2.77Å; S63-E88 PolarHBondContact O-N 3.15Å; S63-K90 WeakPolarHBondContact OG-CE 3.04Å |
| 64 | N | 98.6 | Very high | 96.4 | Very high | 116 Ų | 116 | 62.3 Ų | 62.3 | 62% | 0.62 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 141.7 | 170.6 | -68.9 | -14.6 | 0 | 0 | 0 | 109.8 | T85 F86 | N64-T85 HydrophobicContact CB-CG2 3.64Å; N64-F86 CarbonylContact C-O 3.58Å; N64-F86 VanDerWaalsContact CA-O 3.31Å; N64-F86 WeakPolarHBondContact CA-O 3.31Å |
| 65 | V | 98.3 | Very high | 96.1 | Very high | 38 Ų | 38 | 62 Ų | 62 | 23% | 0.23 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 135.8 | 168.8 | 63.9 | 0 | 0 | 0 | 0 | 108.3 | L43 M67 T85 F86 E88 | L43-V65 HydrophobicContact CD2-CG1 3.74Å; V65-M67 HydrophobicContact CG1-CE 3.75Å; V65-M67 HydrophobicContact CG2-CE 4.07Å; V65-M67 HydrophobicContact CG2-CG 4.45Å; V65-T85 CarbonylContact O-C 3.53Å; V65-T85 WeakPolarHBondContact O-CA 3.45Å; V65-F86 HydrophobicContact CG1-CB 4.1Å; V65-F86 PolarHBondContact N-O 3.03Å; V65-F86 PolarHBondContact O-N 2.83Å; V65-E88 HydrophobicContact CB-CG 4.41Å; V65-E88 HydrophobicContact CG1-CG 3.7Å |
| 66 | T | 98.4 | Very high | 95.6 | Very high | 77 Ų | 77 | 64.7 Ų | 64.7 | 47% | 0.472 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 129.2 | 177.5 | -55.2 | 0 | 0 | 0 | 0 | 108.8 | E83 M84 T85 | T66-E83 HydrophobicContact CG2-CB 3.79Å; T66-E83 HydrophobicContact CG2-CG 4.39Å; T66-M84 CarbonylContact C-O 3.38Å; T66-M84 WeakPolarHBondContact CA-O 3.44Å; T66-T85 PolarHBondContact OG1-OG1 3.07Å; T66-T85 VanDerWaalsContact OG1-OG1 3.1Å |
| 67 | M | 98.3 | Very high | 94.9 | Very high | 40 Ų | 40 | 67.2 Ų | 67.2 | 20% | 0.197 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 144.8 | -179 | -63.7 | 175.3 | 179.2 | 0 | 0 | 109.6 | V41 P42 L43 V65 L69 M84 F86 | V41-M67 HydrophobicContact CB-SD 3.79Å; V41-M67 HydrophobicContact CG1-SD 3.99Å; V41-M67 HydrophobicContact CG2-SD 4.35Å; P42-M67 WeakPolarHBondContact O-CE 3.36Å; L43-M67 HydrophobicContact CD2-CE 3.76Å; L43-M67 HydrophobicContact CD2-SD 4.46Å; V65-M67 HydrophobicContact CG1-CE 3.75Å; V65-M67 HydrophobicContact CG2-CE 4.07Å; V65-M67 HydrophobicContact CG2-CG 4.45Å; M67-L69 HydrophobicContact CB-CD1 3.78Å; M67-M84 PolarHBondContact N-O 2.87Å; M67-M84 PolarHBondContact O-N 3.32Å; M67-F86 HydrophobicContact CB-CD2 4.34Å; M67-F86 HydrophobicContact CB-CE2 4.15Å; M67-F86 HydrophobicContact CG-CD2 4.33Å; M67-F86 HydrophobicContact SD-CD2 4.08Å; M67-F86 HydrophobicContact SD-CE2 4.34Å |
| 68 | Q | 98.1 | Very high | 94.3 | Very high | 128 Ų | 128 | 68.8 Ų | 68.8 | 60% | 0.598 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89 | 124 | 174.5 | -172.8 | 176.8 | 67 | 0 | 0 | 109.7 | Y81 V82 | Q68-Y81 HydrophobicContact CG-CD1 3.83Å; Q68-Y81 HydrophobicContact CG-CG 4.32Å; Q68-V82 WeakPolarHBondContact CA-O 3.33Å |
| 69 | L | 97.3 | Very high | 93.9 | Very high | 3 Ų | 3 | 72.2 Ų | 72.2 | 2% | 0.016 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 159.9 | 175.5 | -77.4 | 70.7 | 0 | 0 | 0 | 109.3 | V24 V41 M67 Y81 V82 M84 F86 | V24-L69 HydrophobicContact CB-CD2 4.47Å; V24-L69 HydrophobicContact CG1-CD2 4.16Å; V24-L69 HydrophobicContact CG2-CD2 3.5Å; V24-L69 VanDerWaalsContact CG2-CD2 3.5Å; V41-L69 HydrophobicContact CG1-CD1 4.04Å; V41-L69 HydrophobicContact CG1-CD2 4.07Å; V41-L69 HydrophobicContact CG1-CG 4.39Å; M67-L69 HydrophobicContact CB-CD1 3.78Å; L69-Y81 CarbonylContact O-C 3.42Å; L69-Y81 WeakPolarHBondContact O-CA 3.5Å; L69-V82 HydrophobicContact CB-CG2 4.39Å; L69-V82 PolarHBondContact N-O 2.9Å; L69-V82 PolarHBondContact O-N 2.91Å; L69-M84 HydrophobicContact CD1-CB 4.45Å; L69-F86 HydrophobicContact CD1-CE2 4.14Å; L69-F86 HydrophobicContact CD1-CZ 4.46Å; L69-F86 HydrophobicContact CD2-CZ 4.38Å |
| 70 | L | 96.4 | Very high | 93.7 | Very high | 21 Ų | 21 | 74.2 Ų | 74.2 | 11% | 0.11 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 126 | 169.3 | -169.3 | 70.7 | 0 | 0 | 0 | 109.2 | Y36 S37 I72 E79 Y81 | Y36-L70 CarbonylContact C-O 3.51Å; Y36-L70 WeakPolarHBondContact CA-O 3.37Å; S37-L70 PolarHBondContact N-O 3.22Å; S37-L70 WeakPolarHBondContact O-CB 3Å; S37-L70 PolarHBondContact O-N 3.23Å; L70-I72 HydrophobicContact CD2-CD1 4.13Å; L70-I72 HydrophobicContact CD2-CG1 4.22Å; L70-I72 HydrophobicContact CG-CG1 4.25Å; L70-E79 HydrophobicContact CD1-CB 3.64Å; L70-E79 HydrophobicContact CD1-CG 3.76Å; L70-E79 HydrophobicContact CD2-CB 3.97Å; L70-E79 VanDerWaalsContact CD2-CD 3.49Å; L70-E79 HydrophobicContact CD2-CG 4.16Å; L70-E79 WeakPolarHBondContact CD2-OE2 3.49Å; L70-E79 HydrophobicContact CG-CB 3.82Å; L70-E79 HydrophobicContact CG-CG 4.29Å; L70-Y81 HydrophobicContact CD1-CD1 4.25Å; L70-Y81 HydrophobicContact CD1-CE1 4.21Å |
| 71 | K | 94.3 | Very high | 93.6 | Very high | 28 Ų | 28 | 79 Ų | 79 | 12% | 0.122 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 124.3 | 175.4 | -177 | 173.9 | -176.6 | 168 | 0 | 109.1 | E31 H34 Y36 E80 V82 | E31-K71 IonicContact OE2-NZ 3.28Å; E31-K71 PolarHBondContact OE2-NZ 2.88Å; H34-K71 HydrophobicContact CB-CG 4.28Å; H34-K71 WeakPolarHBondContact CD2-CE 3.29Å; H34-K71 VanDerWaalsContact CE1-CE 3.41Å; H34-K71 WeakPolarHBondContact CE1-CE 3.45Å; H34-K71 PolarHBondContact CE1-NZ 2.03Å; H34-K71 VanDerWaalsContact CE1-NZ 3.33Å; H34-K71 WeakPolarHBondContact ND1-CE 3.22Å; H34-K71 PolarHBondContact ND1-NZ 3.33Å; H34-K71 WeakPolarHBondContact NE2-CE 3.07Å; Y36-K71 HydrophobicContact CD1-CB 4.3Å; Y36-K71 HydrophobicContact CD1-CG 4.47Å; Y36-K71 HydrophobicContact CE1-CB 4.09Å; Y36-K71 HydrophobicContact CE1-CD 4.08Å; Y36-K71 HydrophobicContact CE1-CG 3.93Å; K71-E80 HydrophobicContact CB-CG 3.95Å; K71-E80 PolarHBondContact N-O 3.29Å; K71-E80 PolarHBondContact O-N 2.63Å; K71-V82 HydrophobicContact CB-CB 4.49Å; K71-V82 HydrophobicContact CB-CG1 3.76Å; K71-V82 HydrophobicContact CB-CG2 3.85Å; K71-V82 HydrophobicContact CD-CG1 3.91Å; K71-V82 HydrophobicContact CG-CG1 4.5Å |
| 72 | I | 92.9 | Very high | 93.5 | Very high | 51 Ų | 51 | 75.7 Ų | 75.7 | 26% | 0.262 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 124.6 | -176.8 | -57.1 | 164.7 | 0 | 0 | 0 | 107.8 | I35 L70 E79 | I35-I72 HydrophobicContact CB-CB 4.27Å; I35-I72 PolarHBondContact N-O 2.98Å; I35-I72 PolarHBondContact O-N 2.87Å; L70-I72 HydrophobicContact CD2-CD1 4.13Å; L70-I72 HydrophobicContact CD2-CG1 4.22Å; L70-I72 HydrophobicContact CG-CG1 4.25Å; I72-E79 HydrophobicContact CG1-CB 4.11Å |
| 73 | R | 90.7 | Very high | 93.4 | Very high | 80 Ų | 80 | 79.8 Ų | 79.8 | 30% | 0.302 | 43% | 0.43 | S | S | . | . | trans | -100.5 | 112.8 | 174.9 | -74.5 | 172.7 | -162.1 | -178.2 | 9.6 | 108.9 | H34 S75 E76 E80 | H34-R73 VanDerWaalsContact CD2-CG 3.43Å; H34-R73 WeakPolarHBondContact CD2-CG 3.49Å; R73-S75 PolarHBondContact O-N 2.89Å; R73-S75 VanDerWaalsContact O-N 3.11Å; R73-E76 HydrophobicContact CB-CB 4.11Å; R73-E76 WeakPolarHBondContact CD-OE2 3.43Å; R73-E76 IonicContact CZ-OE2 3.83Å; R73-E76 IonicContact NE-OE2 2.91Å; R73-E76 IonicContact NH1-OE2 3.01Å; R73-E76 PolarHBondContact NH1-OE2 2.9Å; R73-E76 PolarHBondContact O-N 2.9Å; R73-E76 VanDerWaalsContact O-N 3.1Å; R73-E80 IonicContact CZ-OE1 3.69Å; R73-E80 IonicContact NE-OE1 2.84Å; R73-E80 IonicContact NH2-OE1 2.91Å; R73-E80 PolarHBondContact NH2-OE1 3.49Å | ||
| 74 | P | 87.6 | Confident | 93.3 | Very high | 95 Ų | 95 | 78.9 Ų | 78.9 | 62% | 0.617 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -25.4 | -178.2 | -24.9 | 35.1 | 0 | 0 | 0 | 114.1 | E33 I35 | E33-P74 WeakPolarHBondContact O-CD 3.24Å; I35-P74 HydrophobicContact CD1-CG 3.94Å; I35-P74 HydrophobicContact CG1-CG 4.28Å |
| 75 | S | 87.6 | Confident | 93.3 | Very high | 101 Ų | 101 | 76.1 Ų | 76.1 | 71% | 0.706 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -18.3 | 179.2 | 47.8 | 0 | 0 | 0 | 0 | 114.3 | R73 | R73-S75 PolarHBondContact O-N 2.89Å; R73-S75 VanDerWaalsContact O-N 3.11Å |
| 76 | E | 85.8 | Confident | 93.3 | Very high | 104 Ų | 104 | 74.3 Ų | 74.3 | 49% | 0.486 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -125.4 | 132.5 | -173.2 | -66.2 | 178.2 | 167.6 | 0 | 0 | 110.1 | R73 G78 | R73-E76 HydrophobicContact CB-CB 4.11Å; R73-E76 WeakPolarHBondContact CD-OE2 3.43Å; R73-E76 IonicContact CZ-OE2 3.83Å; R73-E76 IonicContact NE-OE2 2.91Å; R73-E76 IonicContact NH1-OE2 3.01Å; R73-E76 PolarHBondContact NH1-OE2 2.9Å; R73-E76 PolarHBondContact O-N 2.9Å; R73-E76 VanDerWaalsContact O-N 3.1Å; E76-G78 PolarHBondContact O-N 2.03Å; E76-G78 VanDerWaalsContact O-N 3.11Å |
| 77 | P | 82.5 | Confident | 93.3 | Very high | 142 Ų | 142 | 73.2 Ų | 73.2 | 92% | 0.922 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -69.5 | 110.8 | 173.7 | 25.7 | -29.6 | 0 | 0 | 0 | 109.9 | ||
| 78 | G | 83.6 | Confident | 93.3 | Very high | 56 Ų | 56 | 73.2 Ų | 73.2 | 58% | 0.577 | 39% | 0.39 | S | S | * | . | trans | 152.9 | 164 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E76 | E76-G78 PolarHBondContact O-N 2.03Å; E76-G78 VanDerWaalsContact O-N 3.11Å | ||
| 79 | E | 90.2 | Very high | 93.4 | Very high | 132 Ų | 132 | 68.7 Ų | 68.7 | 62% | 0.617 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 137.8 | 172.7 | 61.4 | -176.4 | -140.3 | 0 | 0 | 108.4 | L70 I72 | L70-E79 HydrophobicContact CD1-CB 3.64Å; L70-E79 HydrophobicContact CD1-CG 3.76Å; L70-E79 HydrophobicContact CD2-CB 3.97Å; L70-E79 VanDerWaalsContact CD2-CD 3.49Å; L70-E79 HydrophobicContact CD2-CG 4.16Å; L70-E79 WeakPolarHBondContact CD2-OE2 3.49Å; L70-E79 HydrophobicContact CG-CB 3.82Å; L70-E79 HydrophobicContact CG-CG 4.29Å; I72-E79 HydrophobicContact CG1-CB 4.11Å |
| 80 | E | 93.4 | Very high | 93.4 | Very high | 82 Ų | 82 | 73.4 Ų | 73.4 | 38% | 0.383 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 137.7 | -179 | 64.3 | 179.8 | 165 | 0 | 0 | 110.7 | K71 R73 V82 | K71-E80 HydrophobicContact CB-CG 3.95Å; K71-E80 PolarHBondContact N-O 3.29Å; K71-E80 PolarHBondContact O-N 2.63Å; R73-E80 IonicContact CZ-OE1 3.69Å; R73-E80 IonicContact NE-OE1 2.84Å; R73-E80 IonicContact NH2-OE1 2.91Å; R73-E80 PolarHBondContact NH2-OE1 3.49Å; E80-V82 HydrophobicContact CG-CG1 3.92Å |
| 81 | Y | 96.7 | Very high | 93.5 | Very high | 163 Ų | 163 | 75.2 Ų | 75.2 | 64% | 0.639 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 126.9 | 169.2 | -72 | -72.7 | 0 | 0 | 0 | 109.4 | Q68 L69 L70 | Q68-Y81 HydrophobicContact CG-CD1 3.83Å; Q68-Y81 HydrophobicContact CG-CG 4.32Å; L69-Y81 CarbonylContact O-C 3.42Å; L69-Y81 WeakPolarHBondContact O-CA 3.5Å; L70-Y81 HydrophobicContact CD1-CD1 4.25Å; L70-Y81 HydrophobicContact CD1-CE1 4.21Å |
| 82 | V | 95.4 | Very high | 93.7 | Very high | 27 Ų | 27 | 75.3 Ų | 75.3 | 16% | 0.164 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 142.6 | 178.1 | -62.3 | 0 | 0 | 0 | 0 | 110.5 | Y36 Q68 L69 K71 E80 M84 | Y36-V82 HydrophobicContact CE1-CG2 4.25Å; Q68-V82 WeakPolarHBondContact CA-O 3.33Å; L69-V82 HydrophobicContact CB-CG2 4.39Å; L69-V82 PolarHBondContact N-O 2.9Å; L69-V82 PolarHBondContact O-N 2.91Å; K71-V82 HydrophobicContact CB-CB 4.49Å; K71-V82 HydrophobicContact CB-CG1 3.76Å; K71-V82 HydrophobicContact CB-CG2 3.85Å; K71-V82 HydrophobicContact CD-CG1 3.91Å; K71-V82 HydrophobicContact CG-CG1 4.5Å; E80-V82 HydrophobicContact CG-CG1 3.92Å; V82-M84 HydrophobicContact CG2-CG 3.84Å |
| 83 | E | 97.8 | Very high | 93.9 | Very high | 156 Ų | 156 | 76.8 Ų | 76.8 | 73% | 0.729 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 118.2 | 170.6 | -69.3 | -177.6 | 170.5 | 0 | 0 | 109.1 | T66 | T66-E83 HydrophobicContact CG2-CB 3.79Å; T66-E83 HydrophobicContact CG2-CG 4.39Å |
| 84 | M | 96.4 | Very high | 94.3 | Very high | 17 Ų | 17 | 74.9 Ų | 74.9 | 8% | 0.084 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 136.7 | -177.9 | -66.5 | -97.9 | -73.6 | 0 | 0 | 108.7 | V24 Y28 Y36 T66 M67 L69 V82 F86 | V24-M84 HydrophobicContact CG1-CE 3.32Å; Y28-M84 HydrophobicContact CD2-CE 3.63Å; Y28-M84 HydrophobicContact CE2-CE 3.83Å; Y28-M84 HydrophobicContact CG-CE 4.03Å; Y36-M84 HydrophobicContact CD1-CE 4.2Å; Y36-M84 HydrophobicContact CE1-CE 3.79Å; Y36-M84 HydrophobicContact CE1-SD 4.02Å; Y36-M84 HydrophobicContact CE2-CE 4.32Å; T66-M84 CarbonylContact C-O 3.38Å; T66-M84 WeakPolarHBondContact CA-O 3.44Å; M67-M84 PolarHBondContact N-O 2.87Å; M67-M84 PolarHBondContact O-N 3.32Å; L69-M84 HydrophobicContact CD1-CB 4.45Å; V82-M84 HydrophobicContact CG2-CG 3.84Å; M84-F86 HydrophobicContact CB-CE2 3.61Å; M84-F86 HydrophobicContact CB-CZ 3.85Å; M84-F86 HydrophobicContact CE-CZ 4.29Å |
| 85 | T | 98.1 | Very high | 94.7 | Very high | 57 Ų | 57 | 75.9 Ų | 75.9 | 35% | 0.35 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 122.5 | -174.9 | -60.7 | 0 | 0 | 0 | 0 | 111.2 | Y28 N64 V65 T66 | Y28-T85 PolarHBondContact OH-N 2.9Å; Y28-T85 PolarHBondContact OH-O 3.46Å; N64-T85 HydrophobicContact CB-CG2 3.64Å; V65-T85 CarbonylContact O-C 3.53Å; V65-T85 WeakPolarHBondContact O-CA 3.45Å; T66-T85 PolarHBondContact OG1-OG1 3.07Å; T66-T85 VanDerWaalsContact OG1-OG1 3.1Å |
| 86 | F | 98.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 76.5 Ų | 76.5 | 0% | 0.004 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 153.7 | -177.7 | -60 | -88 | 0 | 0 | 0 | 110.7 | V24 E27 Y28 V41 L43 N64 V65 M67 L69 M84 | V24-F86 HydrophobicContact CG1-CE1 4.46Å; V24-F86 HydrophobicContact CG1-CZ 4.34Å; V24-F86 HydrophobicContact CG2-CE1 4.48Å; V24-F86 HydrophobicContact CG2-CZ 4.27Å; E27-F86 HydrophobicContact CB-CD1 4.26Å; E27-F86 HydrophobicContact CB-CE1 4.32Å; E27-F86 HydrophobicContact CG-CD1 4.16Å; E27-F86 HydrophobicContact CG-CE1 4.46Å; Y28-F86 HydrophobicContact CD2-CE1 4.15Å; Y28-F86 HydrophobicContact CE2-CD1 4.08Å; Y28-F86 AromaticContact CE2-CE1 3.74Å; Y28-F86 HydrophobicContact CE2-CE1 3.74Å; Y28-F86 HydrophobicContact CE2-CZ 4.23Å; V41-F86 HydrophobicContact CG1-CE2 4.3Å; V41-F86 HydrophobicContact CG1-CZ 4.21Å; V41-F86 HydrophobicContact CG2-CD1 3.95Å; V41-F86 HydrophobicContact CG2-CD2 4.34Å; V41-F86 HydrophobicContact CG2-CE1 3.76Å; V41-F86 HydrophobicContact CG2-CE2 4.17Å; V41-F86 HydrophobicContact CG2-CG 4.23Å; V41-F86 HydrophobicContact CG2-CZ 3.88Å; L43-F86 HydrophobicContact CD1-CB 3.73Å; L43-F86 HydrophobicContact CD1-CD1 4Å; L43-F86 HydrophobicContact CD1-CG 4.08Å; L43-F86 HydrophobicContact CD2-CB 3.49Å; L43-F86 VanDerWaalsContact CD2-CB 3.49Å; L43-F86 HydrophobicContact CD2-CG 4.13Å; L43-F86 HydrophobicContact CG-CB 4.27Å; N64-F86 CarbonylContact C-O 3.58Å; N64-F86 VanDerWaalsContact CA-O 3.31Å; N64-F86 WeakPolarHBondContact CA-O 3.31Å; V65-F86 HydrophobicContact CG1-CB 4.1Å; V65-F86 PolarHBondContact N-O 3.03Å; V65-F86 PolarHBondContact O-N 2.83Å; M67-F86 HydrophobicContact CB-CD2 4.34Å; M67-F86 HydrophobicContact CB-CE2 4.15Å; M67-F86 HydrophobicContact CG-CD2 4.33Å; M67-F86 HydrophobicContact SD-CD2 4.08Å; M67-F86 HydrophobicContact SD-CE2 4.34Å; L69-F86 HydrophobicContact CD1-CE2 4.14Å; L69-F86 HydrophobicContact CD1-CZ 4.46Å; L69-F86 HydrophobicContact CD2-CZ 4.38Å; M84-F86 HydrophobicContact CB-CE2 3.61Å; M84-F86 HydrophobicContact CB-CZ 3.85Å; M84-F86 HydrophobicContact CE-CZ 4.29Å |
| 87 | V | 98.4 | Very high | 95.3 | Very high | 53 Ų | 53 | 77.9 Ų | 77.9 | 32% | 0.321 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 127.2 | 173.9 | -179.3 | 0 | 0 | 0 | 0 | 109.7 | R45 T62 | R45-V87 PolarHBondContact NE-O 3.47Å; R45-V87 PolarHBondContact NH2-O 2.96Å; T62-V87 HydrophobicContact CG2-CG1 3.89Å |
| 88 | E | 98.6 | Very high | 95.2 | Very high | 41 Ų | 41 | 80 Ų | 80 | 19% | 0.192 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 151.4 | 167.6 | -67.6 | -160.7 | 127 | 0 | 0 | 111.1 | L43 V44 T62 S63 V65 | L43-E88 HydrophobicContact CD2-CG 3.88Å; V44-E88 HydrophobicContact CB-CB 4.38Å; V44-E88 HydrophobicContact CB-CG 4.46Å; V44-E88 PolarHBondContact N-OE1 3.13Å; V44-E88 WeakPolarHBondContact O-CA 3.46Å; T62-E88 CarbonylContact C-O 3.27Å; T62-E88 WeakPolarHBondContact CA-O 3.46Å; T62-E88 VanDerWaalsContact CB-O 3.24Å; T62-E88 WeakPolarHBondContact CB-O 3.43Å; S63-E88 PolarHBondContact N-O 2.77Å; S63-E88 PolarHBondContact O-N 3.15Å; V65-E88 HydrophobicContact CB-CG 4.41Å; V65-E88 HydrophobicContact CG1-CG 3.7Å |
| 89 | H | 98.6 | Very high | 94.7 | Very high | 33 Ų | 33 | 82.2 Ų | 82.2 | 15% | 0.153 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 129.7 | 176.8 | -56.1 | -179 | 0 | 0 | 0 | 108.9 | T17 V44 C46 P59 | T17-H89 HydrophobicContact CG2-CB 4.44Å; T17-H89 VanDerWaalsContact CG2-O 3.22Å; T17-H89 WeakPolarHBondContact CG2-O 3.3Å; V44-H89 VanDerWaalsContact CG1-O 3.29Å; V44-H89 WeakPolarHBondContact CG1-O 2.93Å; V44-H89 PolarHBondContact O-N 2.03Å; C46-H89 WeakPolarHBondContact CB-ND1 3.45Å; C46-H89 PolarHBondContact N-ND1 3.05Å; C46-H89 PolarHBondContact SG-ND1 3.01Å; P59-H89 HydrophobicContact CB-CB 4.07Å |
| 90 | K | 98.3 | Very high | 93.8 | Very high | 101 Ų | 101 | 83.8 Ų | 83.8 | 44% | 0.439 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -36.3 | 177.5 | -60.3 | -166.5 | -161.5 | 162.7 | 0 | 112.8 | T17 E61 S63 | T17-K90 WeakPolarHBondContact CG2-O 2.97Å; E61-K90 HydrophobicContact CB-CB 4.27Å; E61-K90 HydrophobicContact CG-CB 4.43Å; E61-K90 HydrophobicContact CG-CD 4.2Å; E61-K90 PolarHBondContact O-N 2.92Å; E61-K90 WeakPolarHBondContact OE1-CD 3.02Å; E61-K90 IonicContact OE1-NZ 3.24Å; E61-K90 PolarHBondContact OE1-NZ 2.86Å; S63-K90 WeakPolarHBondContact OG-CE 3.04Å |
| 91 | T | 98.4 | Very high | 92.4 | Very high | 60 Ų | 60 | 87.8 Ų | 87.8 | 37% | 0.368 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 148.4 | -177.5 | 52.2 | 0 | 0 | 0 | 0 | 110.1 | P59 T60 E61 | P59-T91 WeakPolarHBondContact CA-O 3.47Å; T60-T91 PolarHBondContact N-O 3.28Å; T60-T91 VanDerWaalsContact OG1-CB 3.29Å; T60-T91 WeakPolarHBondContact OG1-CB 3.47Å; T60-T91 PolarHBondContact OG1-O 2.93Å; T60-T91 PolarHBondContact OG1-OG1 2.95Å; E61-T91 VanDerWaalsContact CB-OG1 3.29Å; E61-T91 WeakPolarHBondContact CB-OG1 3.45Å; E61-T91 PolarHBondContact N-OG1 3.44Å |
| 92 | C | 98.3 | Very high | 90.6 | Very high | 30 Ų | 30 | 89.4 Ų | 89.4 | 20% | 0.203 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 147.8 | -174.1 | -53.2 | 0 | 0 | 0 | 0 | 111 | R16 T17 C46 H58 | R16-C92 VanDerWaalsContact C-SG 3.52Å; T17-C92 VanDerWaalsContact CG2-SG 3.53Å; C46-C92 WeakPolarHBondContact CA-SG 3.48Å; C46-C92 HydrophobicContact CB-CB 3.85Å; C46-C92 WeakPolarHBondContact CB-SG 3.06Å; C46-C92 VanDerWaalsContact SG-CA 3.58Å; C46-C92 WeakPolarHBondContact SG-CB 3.23Å; C46-C92 CovalentContact SG-SG 2.03Å; C46-C92 PolarHBondContact SG-SG 3.12Å; H58-C92 CarbonylContact O-C 3.52Å; H58-C92 WeakPolarHBondContact O-CA 3.46Å |
| 93 | E | 97.8 | Very high | 88.8 | Confident | 82 Ų | 82 | 92.9 Ų | 92.9 | 38% | 0.383 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 155.8 | 171.9 | 81.4 | -173.6 | 175.8 | 0 | 0 | 112.5 | H58 T60 R95 | H58-E93 PolarHBondContact N-O 3.47Å; H58-E93 PolarHBondContact O-N 2.85Å; T60-E93 HydrophobicContact CG2-CB 3.72Å; T60-E93 HydrophobicContact CG2-CG 3.3Å; T60-E93 WeakPolarHBondContact CG2-OE1 3.46Å; T60-E93 WeakPolarHBondContact CG2-OE2 3.4Å; E93-R95 HydrophobicContact CG-CG 3.8Å; E93-R95 IonicContact OE1-CZ 3.79Å; E93-R95 IonicContact OE1-NE 2.84Å; E93-R95 PolarHBondContact OE1-NE 3.3Å; E93-R95 IonicContact OE1-NH2 3.9Å; E93-R95 PolarHBondContact OE1-NH2 2.84Å |
| 94 | C | 97.9 | Very high | 86.7 | Confident | 40 Ų | 40 | 88.4 Ų | 88.4 | 27% | 0.27 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 116.7 | 176.2 | -70.6 | 0 | 0 | 0 | 0 | 110.7 | C15 C50 L55 E56 | C15-C94 VanDerWaalsContact CB-SG 3.5Å; C50-C94 WeakPolarHBondContact CA-SG 3.34Å; C50-C94 HydrophobicContact CB-CB 3.67Å; C50-C94 WeakPolarHBondContact CB-SG 3.21Å; C50-C94 VanDerWaalsContact SG-CA 3.54Å; C50-C94 WeakPolarHBondContact SG-CB 3.32Å; C50-C94 CovalentContact SG-SG 2.03Å; C50-C94 PolarHBondContact SG-SG 2.91Å; L55-C94 HydrophobicContact CB-CB 4.36Å; L55-C94 HydrophobicContact CD1-CB 4.12Å; E56-C94 WeakPolarHBondContact O-CA 3.45Å |
| 95 | R | 96.5 | Very high | 84.7 | Confident | 116 Ų | 116 | 99 Ų | 99 | 44% | 0.438 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 152.5 | 178.9 | -62.9 | -174.7 | 171.2 | 164.2 | 0.7 | 111.1 | L55 E56 E93 R97 | L55-R95 CarbonylContact C-O 3.51Å; L55-R95 VanDerWaalsContact CA-O 3.31Å; L55-R95 WeakPolarHBondContact CA-O 3.31Å; E56-R95 PolarHBondContact N-O 3.05Å; E56-R95 PolarHBondContact O-N 2.78Å; E93-R95 HydrophobicContact CG-CG 3.8Å; E93-R95 IonicContact OE1-CZ 3.79Å; E93-R95 IonicContact OE1-NE 2.84Å; E93-R95 PolarHBondContact OE1-NE 3.3Å; E93-R95 IonicContact OE1-NH2 3.9Å; E93-R95 PolarHBondContact OE1-NH2 2.84Å; R95-R97 PolarHBondContact O-N 3.24Å |
| 96 | V | 95.1 | Very high | 82.6 | Confident | 113 Ų | 113 | 105.8 Ų | 105.8 | 69% | 0.685 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 130.5 | 175.8 | -179.1 | 0 | 0 | 0 | 0 | 110.3 | L55 K98 | L55-V96 HydrophobicContact CD2-CB 4.48Å; L55-V96 HydrophobicContact CD2-CG2 3.9Å; V96-K98 PolarHBondContact O-N 2.67Å |
| 97 | R | 90.1 | Very high | 80.5 | Confident | 133 Ų | 133 | 116.8 Ų | 116.8 | 50% | 0.502 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -60.5 | 129.1 | 174.4 | -72.8 | 177.3 | 179.3 | -163.4 | -6.8 | 109.8 | E53 N54 L55 E56 R95 | E53-R97 VanDerWaalsContact O-CD 3.3Å; E53-R97 WeakPolarHBondContact O-CD 3.35Å; E53-R97 PolarHBondContact O-NE 3.37Å; E53-R97 VanDerWaalsContact O-NE 3.13Å; E53-R97 PolarHBondContact O-NH1 3.49Å; E53-R97 VanDerWaalsContact O-NH1 3.15Å; N54-R97 WeakPolarHBondContact O-CB 3.34Å; N54-R97 WeakPolarHBondContact O-CG 3.42Å; N54-R97 PolarHBondContact O-N 2.9Å; L55-R97 PolarHBondContact O-NE 3.41Å; E56-R97 HydrophobicContact CB-CG 3.8Å; R95-R97 PolarHBondContact O-N 3.24Å |
| 98 | K | 81.1 | Confident | 78.6 | Confident | 187 Ų | 187 | 123.4 Ų | 123.4 | 81% | 0.813 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 127.8 | 171.1 | -64.8 | -177.1 | -176 | 175.1 | 0 | 108 | V96 L100 | V96-K98 PolarHBondContact O-N 2.67Å; K98-L100 PolarHBondContact O-N 3.07Å; K98-L100 VanDerWaalsContact O-N 3.12Å |
| 99 | P | 73.9 | Confident | 76.4 | Confident | 102 Ų | 102 | 133 Ų | 133 | 66% | 0.662 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 122.1 | 175.4 | 23.1 | -30.2 | 0 | 0 | 0 | 108.5 | M101 | P99-M101 VanDerWaalsContact C-N 3.35Å; P99-M101 PolarHBondContact O-N 3.33Å |
| 100 | L | 70.9 | Confident | 73.9 | Confident | 165 Ų | 165 | 134.8 Ų | 134.8 | 86% | 0.864 | 66% | 0.664 | S | S | * | * | trans | -59.8 | 103.2 | 166.6 | -72.7 | 163.6 | 0 | 0 | 0 | 106.3 | K98 K102 | K98-L100 PolarHBondContact O-N 3.07Å; K98-L100 VanDerWaalsContact O-N 3.12Å; L100-K102 PolarHBondContact O-N 2.96Å | ||
| 101 | M | 63.7 | Low | 71.4 | Confident | 167 Ų | 167 | 142 Ų | 142 | 82% | 0.823 | 69% | 0.689 | S | S | * | * | trans | -58 | 96.1 | 168 | -76.4 | -78.7 | 137.4 | 0 | 0 | 106 | P99 A103 | P99-M101 VanDerWaalsContact C-N 3.35Å; P99-M101 PolarHBondContact O-N 3.33Å; M101-A103 PolarHBondContact O-N 3.45Å | ||
| 102 | K | 59.9 | Low | 68.9 | Low | 196 Ų | 196 | 142.8 Ų | 142.8 | 85% | 0.852 | 71% | 0.709 | S | S | * | * | trans | -51.3 | 114.7 | 170.1 | -69.2 | -176.5 | 179.7 | 178.4 | 0 | 104.7 | L100 G104 | L100-K102 PolarHBondContact O-N 2.96Å; K102-G104 PolarHBondContact O-N 3.47Å | ||
| 103 | A | 57.3 | Low | 66.4 | Low | 100 Ų | 100 | 153 Ų | 153 | 83% | 0.826 | 74% | 0.743 | S | S | * | * | trans | -57.1 | 91.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | M101 R105 | M101-A103 PolarHBondContact O-N 3.45Å; A103-R105 PolarHBondContact O-N 2.89Å | ||
| 104 | G | 53 | Low | 64.2 | Low | 62 Ų | 62 | 161.1 Ų | 161.1 | 64% | 0.639 | 77% | 0.77 | S | S | * | * | trans | -62.7 | 112.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 105.7 | K102 K106 | K102-G104 PolarHBondContact O-N 3.47Å; G104-K106 PolarHBondContact O-N 3.14Å | ||
| 105 | R | 55 | Low | 62 | Low | 239 Ų | 239 | 170.6 Ų | 170.6 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -52.8 | 92.5 | 161.9 | -75.3 | 177.5 | 163 | 179.2 | -6.4 | 106.5 | A103 R107 | A103-R105 PolarHBondContact O-N 2.89Å; R105-R107 PolarHBondContact O-N 3.18Å | ||
| 106 | K | 53.7 | Low | 59.5 | Low | 201 Ų | 201 | 174.4 Ų | 174.4 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | trans | -61.3 | 88.9 | 167.8 | -93.6 | -177.4 | 176.1 | 174.1 | 0 | 105.8 | G104 Q108 | G104-K106 PolarHBondContact O-N 3.14Å; K106-Q108 VanDerWaalsContact C-N 3.3Å; K106-Q108 PolarHBondContact O-N 2.83Å | ||
| 107 | R | 54.6 | Low | 57.3 | Low | 232 Ų | 232 | 178 Ų | 178 | 88% | 0.875 | 83% | 0.829 | S | S | * | * | trans | -60 | 100.2 | 161.7 | -85.3 | -178.8 | 153.4 | -176.7 | -6.2 | 105.6 | R105 R109 | R105-R107 PolarHBondContact O-N 3.18Å; R107-R109 PolarHBondContact O-N 3.3Å | ||
| 108 | Q | 57.4 | Low | 55.1 | Low | 191 Ų | 191 | 182 Ų | 182 | 89% | 0.893 | 84% | 0.844 | S | S | * | * | trans | -57.9 | 94.7 | 164.7 | -82.2 | -177.9 | -23.3 | 0 | 0 | 107.1 | K106 G110 | K106-Q108 VanDerWaalsContact C-N 3.3Å; K106-Q108 PolarHBondContact O-N 2.83Å; Q108-G110 PolarHBondContact O-N 3.17Å; Q108-G110 VanDerWaalsContact O-N 3.16Å | ||
| 109 | R | 52.6 | Low | 53.3 | Low | 244 Ų | 244 | 180.5 Ų | 180.5 | 92% | 0.921 | 84% | 0.84 | S | S | * | * | trans | -69.3 | 110.5 | 166 | -89.4 | -175.7 | 161.9 | -177.5 | -4.5 | 106.6 | R107 | R107-R109 PolarHBondContact O-N 3.3Š| ||
| 110 | G | 46 | Very low | 51.5 | Low | 70 Ų | 70 | 185.1 Ų | 185.1 | 72% | 0.722 | 85% | 0.85 | S | S | * | * | trans | -51.1 | 142.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q108 G112 | Q108-G110 PolarHBondContact O-N 3.17Å; Q108-G110 VanDerWaalsContact O-N 3.16Å; G110-G112 PolarHBondContact O-N 2.95Å | ||
| 111 | R | 45.5 | Very low | 50 | Low | 253 Ų | 253 | 181.3 Ų | 181.3 | 96% | 0.955 | 84% | 0.842 | S | S | * | * | trans | -50.1 | 106.7 | 167.3 | -81.4 | 173.3 | 163 | 176.1 | -5.9 | 109.8 | R113 | R111-R113 PolarHBondContact O-N 3.24Š| ||
| 112 | G | 45.5 | Very low | 48.9 | Very low | 76 Ų | 76 | 182.9 Ų | 182.9 | 78% | 0.784 | 85% | 0.845 | S | S | * | * | trans | -61.5 | 106.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | G110 R114 | G110-G112 PolarHBondContact O-N 2.95Å; G112-R114 PolarHBondContact O-N 3.24Å | ||
| 113 | R | 47.1 | Very low | 47.9 | Very low | 244 Ų | 244 | 180.6 Ų | 180.6 | 92% | 0.921 | 84% | 0.842 | S | S | * | * | trans | -67.5 | 110.9 | 167.4 | -89.2 | 179 | 162.3 | -177.4 | -4.5 | 108.5 | R111 R115 | R111-R113 PolarHBondContact O-N 3.24Å; R113-R115 PolarHBondContact O-N 2.61Å | ||
| 114 | R | 51.1 | Low | 47.3 | Very low | 252 Ų | 252 | 182 Ų | 182 | 95% | 0.951 | 84% | 0.844 | S | S | * | * | trans | -50.8 | 123 | 161.8 | -79.7 | 179.2 | 167.7 | -175.5 | -4.2 | 109.2 | G112 | G112-R114 PolarHBondContact O-N 3.24Š| ||
| 115 | R | 51.3 | Low | 47 | Very low | 240 Ų | 240 | 186.2 Ų | 186.2 | 91% | 0.906 | 85% | 0.852 | S | S | * | * | trans | -133.9 | 93.7 | 166.1 | -159.6 | 175.7 | -177.5 | -176.4 | -0.1 | 111.3 | R113 | R113-R115 PolarHBondContact O-N 2.61Š| ||
| 116 | K | 44.8 | Very low | 46.5 | Very low | 196 Ų | 196 | 184.5 Ų | 184.5 | 85% | 0.852 | 85% | 0.845 | S | S | * | * | trans | 48.1 | 102.5 | 132.8 | -131.4 | 172.5 | -175.5 | 177.9 | 0 | 118.1 | ||||
| 117 | E | 48.8 | Very low | 46 | Very low | 188 Ų | 188 | 181.2 Ų | 181.2 | 88% | 0.879 | 85% | 0.846 | S | S | * | * | trans | -42.2 | 133.2 | 152.3 | -128.3 | 176.9 | 145.6 | 0 | 0 | 113.4 | ||||
| 118 | R | 43.4 | Very low | 45.5 | Very low | 216 Ų | 216 | 177.2 Ų | 177.2 | 82% | 0.815 | 84% | 0.837 | S | S | * | * | trans | -173.5 | 113.6 | 142.2 | -107.4 | 169.4 | 177.6 | -102.9 | 0.3 | 112 | ||||
| 119 | Q | 43 | Very low | 45.2 | Very low | 157 Ų | 157 | 175.5 Ų | 175.5 | 73% | 0.734 | 83% | 0.833 | S | S | * | * | trans | 38.2 | 134.9 | 134.1 | -68.1 | 164.4 | 0.6 | 0 | 0 | 118.2 | ||||
| 120 | K | 37.2 | Very low | 44.9 | Very low | 198 Ų | 198 | 169.8 Ų | 169.8 | 86% | 0.861 | 83% | 0.827 | S | S | * | * | cis | -174.7 | 158.6 | 44 | -134.2 | 172.4 | -175.6 | -176.4 | 0 | 110.5 | ||||
| 121 | A | 39.8 | Very low | 44.8 | Very low | 85 Ų | 85 | 177.9 Ų | 177.9 | 70% | 0.702 | 84% | 0.836 | S | S | * | * | trans | -32.7 | 146.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 122 | K | 39.2 | Very low | 44.5 | Very low | 201 Ų | 201 | 181.2 Ų | 181.2 | 87% | 0.874 | 85% | 0.848 | S | S | * | * | 174.9 | 127.4 | 103 | -90 | -178.4 | -178.6 | -170.9 | 0 | 111.9 | |||||
| 123 | D | 39.3 | Very low | 44.4 | Very low | 148 Ų | 148 | 186.5 Ų | 186.5 | 79% | 0.791 | 85% | 0.852 | S | S | * | * | trans | 46.7 | 115.6 | 133.6 | -144.1 | 18.1 | 0 | 0 | 0 | 120.7 | ||||
| 124 | C | 45.3 | Very low | 44.3 | Very low | 130 Ų | 130 | 183.5 Ų | 183.5 | 88% | 0.878 | 85% | 0.848 | S | S | * | * | trans | -162.6 | 109.9 | 136.3 | -148.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 125 | D | 47.5 | Very low | 43.9 | Very low | 149 Ų | 149 | 179.7 Ų | 179.7 | 80% | 0.797 | 84% | 0.842 | S | S | * | * | trans | -51 | 158.4 | 163.2 | -106.1 | -54.7 | 0 | 0 | 0 | 112.7 | ||||
| 126 | R | 43.1 | Very low | 43.5 | Very low | 204 Ų | 204 | 176.1 Ų | 176.1 | 77% | 0.77 | 84% | 0.839 | S | S | * | * | trans | 100.8 | 67.9 | 165.2 | -151 | 172.1 | 177.7 | -176.5 | -1.2 | 116.4 | Q128 | R126-Q128 HydrophobicContact CG-CG 4.48Å; R126-Q128 PolarHBondContact O-N 3.05Å | ||
| 127 | C | 44.3 | Very low | 43.4 | Very low | 131 Ų | 131 | 174.9 Ų | 174.9 | 89% | 0.885 | 84% | 0.838 | S | S | * | * | trans | -67.1 | 109 | 146.6 | -67.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 128 | Q | 42.8 | Very low | 43 | Very low | 149 Ų | 149 | 174 Ų | 174 | 70% | 0.696 | 84% | 0.835 | S | S | * | * | trans | -128 | 115.2 | 155.5 | -78.1 | -176.9 | -9 | 0 | 0 | 108.6 | R126 | R126-Q128 HydrophobicContact CG-CG 4.48Å; R126-Q128 PolarHBondContact O-N 3.05Å | ||
| 129 | I | 51.3 | Low | 43 | Very low | 155 Ų | 155 | 171 Ų | 171 | 80% | 0.795 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 124.5 | 175.1 | -57.7 | 165.9 | 0 | 0 | 0 | 107.6 | ||
| 130 | P | 46.8 | Very low | 43 | Very low | 123 Ų | 123 | 172.1 Ų | 172.1 | 80% | 0.799 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -88 | 118.9 | 162.8 | 3.4 | 15.7 | 0 | 0 | 0 | 109.2 | ||
| 131 | R | 42.7 | Very low | 43.5 | Very low | 241 Ų | 241 | 169.9 Ų | 169.9 | 91% | 0.909 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -76 | 132.2 | 162 | -70.7 | -178.5 | 174.7 | -173.6 | -1.5 | 109 | ||
| 132 | R | 39.6 | Very low | 43.8 | Very low | 323 Ų | 323 | 177.6 Ų | 177.6 | 100% | 1.219 | 86% | 0.856 | S | S | * | * | trans | -151.8 | 0 | 141.5 | -142.8 | 178.5 | -167.1 | -171.8 | 3.2 | 109.9 |
Retrieved 132 of 132 residues in 142.3 ms
(Link to these results)