| 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 | 48.7 | Very low | 88.7 | Confident | 241 Ų | 241 | 104.7 Ų | 104.7 | 100% | 1.187 | 60% | 0.601 | S | S | * | * | 0 | 124.7 | 0 | -67.6 | -176.9 | -167.1 | 0 | 0 | 107.3 | |||||
| 2 | S | 81.9 | Confident | 89.3 | Confident | 122 Ų | 122 | 103.8 Ų | 103.8 | 85% | 0.853 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 128.2 | 173.3 | 52.8 | 0 | 0 | 0 | 0 | 109.4 | ||
| 3 | S | 87.1 | Confident | 89.7 | Confident | 98 Ų | 98 | 100.2 Ų | 100.2 | 69% | 0.685 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 146.1 | 172.7 | -60.1 | 0 | 0 | 0 | 0 | 110.5 | V5 | S3-V5 PolarHBondContact O-N 2.96Š|
| 4 | P | 91.8 | Very high | 90.3 | Very high | 122 Ų | 122 | 93.8 Ų | 93.8 | 79% | 0.792 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 134.6 | 175.6 | 25.7 | -33.9 | 0 | 0 | 0 | 110.2 | ||
| 5 | V | 93.4 | Very high | 90.7 | Very high | 101 Ų | 101 | 92.5 Ų | 92.5 | 61% | 0.612 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -96.8 | 117.6 | 178 | -173.6 | 0 | 0 | 0 | 0 | 108.9 | S3 P9 F10 | S3-V5 PolarHBondContact O-N 2.96Å; V5-P9 HydrophobicContact CG1-CB 4.2Å; V5-F10 HydrophobicContact CG1-CB 3.88Å |
| 6 | N | 95.1 | Very high | 91.1 | Very high | 107 Ų | 107 | 90.1 Ų | 90.1 | 57% | 0.572 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 158.1 | 175.8 | -72.8 | -38.6 | 0 | 0 | 0 | 111.4 | K8 P9 F10 | N6-K8 PolarHBondContact O-N 2.81Å; N6-P9 HydrophobicContact CB-CG 4.07Å; N6-P9 VanDerWaalsContact O-CD 3.25Å; N6-P9 WeakPolarHBondContact O-CD 3.37Å; N6-F10 WeakPolarHBondContact O-CB 3.49Å; N6-F10 PolarHBondContact O-N 3Å |
| 7 | P | 95.9 | Very high | 91.5 | Very high | 81 Ų | 81 | 90.9 Ų | 90.9 | 53% | 0.526 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57.7 | -41.1 | -177 | -28.5 | 36 | 0 | 0 | 0 | 114.8 | F10 I11 M40 | P7-F10 WeakPolarHBondContact O-CB 3.38Å; P7-F10 PolarHBondContact O-N 2.69Å; P7-I11 WeakPolarHBondContact O-CG1 3.42Å; P7-I11 PolarHBondContact O-N 3.06Å; P7-M40 HydrophobicContact CB-CE 4.16Å |
| 8 | K | 94.3 | Very high | 91.8 | Very high | 113 Ų | 113 | 86.6 Ų | 86.6 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64 | -53.1 | 178.7 | -74.6 | -173 | 178.7 | -168.6 | 0 | 112.1 | N6 F10 I11 N12 | N6-K8 PolarHBondContact O-N 2.81Å; K8-F10 VanDerWaalsContact C-N 3.26Å; K8-F10 PolarHBondContact O-N 2.89Å; K8-I11 PolarHBondContact O-N 2.7Å; K8-N12 WeakPolarHBondContact O-CB 3.25Å; K8-N12 VanDerWaalsContact O-CG 3.24Å; K8-N12 PolarHBondContact O-N 3.23Å |
| 9 | P | 95 | Very high | 92.2 | Very high | 72 Ų | 72 | 82.1 Ų | 82.1 | 47% | 0.468 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -54.5 | -39.9 | 170.7 | -29.1 | 33.8 | 0 | 0 | 0 | 114 | V5 N6 S13 | V5-P9 HydrophobicContact CG1-CB 4.2Å; N6-P9 HydrophobicContact CB-CG 4.07Å; N6-P9 VanDerWaalsContact O-CD 3.25Å; N6-P9 WeakPolarHBondContact O-CD 3.37Å; P9-S13 WeakPolarHBondContact O-CB 3.38Å; P9-S13 PolarHBondContact O-N 3.02Å |
| 10 | F | 96 | Very high | 92.4 | Very high | 83 Ų | 83 | 78.7 Ų | 78.7 | 36% | 0.364 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.5 | -54.3 | 178.7 | 176.3 | -106.5 | 0 | 0 | 0 | 111.9 | V5 N6 P7 K8 N12 S13 L14 I72 | V5-F10 HydrophobicContact CG1-CB 3.88Å; N6-F10 WeakPolarHBondContact O-CB 3.49Å; N6-F10 PolarHBondContact O-N 3Å; P7-F10 WeakPolarHBondContact O-CB 3.38Å; P7-F10 PolarHBondContact O-N 2.69Å; K8-F10 VanDerWaalsContact C-N 3.26Å; K8-F10 PolarHBondContact O-N 2.89Å; F10-N12 VanDerWaalsContact C-N 3.31Å; F10-N12 PolarHBondContact O-N 3.03Å; F10-S13 WeakPolarHBondContact O-CB 3.38Å; F10-S13 PolarHBondContact O-N 3.47Å; F10-S13 PolarHBondContact O-OG 3.28Å; F10-L14 HydrophobicContact CD1-CD1 4.42Å; F10-L14 HydrophobicContact CE1-CD1 3.85Å; F10-L14 HydrophobicContact CZ-CD1 3.98Å; F10-L14 PolarHBondContact O-N 3.18Å; F10-I72 HydrophobicContact CE1-CG2 4.26Å |
| 11 | I | 96.1 | Very high | 92.7 | Very high | 12 Ų | 12 | 74.9 Ų | 74.9 | 6% | 0.062 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -63.8 | -39.6 | -179.2 | -62.4 | 170.9 | 0 | 0 | 0 | 110.7 | P7 K8 S13 L14 L33 T36 M40 L42 I72 | P7-I11 WeakPolarHBondContact O-CG1 3.42Å; P7-I11 PolarHBondContact O-N 3.06Å; K8-I11 PolarHBondContact O-N 2.7Å; I11-S13 PolarHBondContact O-N 2.79Å; I11-L14 WeakPolarHBondContact O-CB 3.27Å; I11-L14 PolarHBondContact O-N 3.34Å; I11-L33 HydrophobicContact CG2-CD2 4.2Å; I11-T36 HydrophobicContact CG2-CG2 3.82Å; I11-M40 HydrophobicContact CD1-CB 4.39Å; I11-M40 HydrophobicContact CD1-CE 4.27Å; I11-M40 HydrophobicContact CD1-CG 3.93Å; I11-M40 HydrophobicContact CD1-SD 3.7Å; I11-L42 HydrophobicContact CG2-CD2 4.38Å; I11-I72 HydrophobicContact CG1-CG2 4.22Å |
| 12 | N | 95.9 | Very high | 95.1 | Very high | 94 Ų | 94 | 65.9 Ų | 65.9 | 50% | 0.503 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.4 | -33.1 | 175.7 | -72.2 | -8.4 | 0 | 0 | 0 | 112.3 | K8 F10 L14 I15 | K8-N12 WeakPolarHBondContact O-CB 3.25Å; K8-N12 VanDerWaalsContact O-CG 3.24Å; K8-N12 PolarHBondContact O-N 3.23Å; F10-N12 VanDerWaalsContact C-N 3.31Å; F10-N12 PolarHBondContact O-N 3.03Å; N12-L14 PolarHBondContact O-N 3.13Å; N12-I15 HydrophobicContact CB-CD1 4.49Å; N12-I15 PolarHBondContact O-N 2.65Å |
| 13 | S | 95.5 | Very high | 95.9 | Very high | 57 Ų | 57 | 60.8 Ų | 60.8 | 40% | 0.399 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -12.2 | 176.7 | 80.9 | 0 | 0 | 0 | 0 | 114.3 | P9 F10 I11 K17 | P9-S13 WeakPolarHBondContact O-CB 3.38Å; P9-S13 PolarHBondContact O-N 3.02Å; F10-S13 WeakPolarHBondContact O-CB 3.38Å; F10-S13 PolarHBondContact O-N 3.47Å; F10-S13 PolarHBondContact O-OG 3.28Å; I11-S13 PolarHBondContact O-N 2.79Å; S13-K17 WeakPolarHBondContact O-CD 3.42Å; S13-K17 VanDerWaalsContact O-CE 3.3Å; S13-K17 WeakPolarHBondContact O-CE 3.41Å; S13-K17 PolarHBondContact O-NZ 2.93Å |
| 14 | L | 97.1 | Very high | 96.4 | Very high | 10 Ų | 10 | 61.6 Ų | 61.6 | 5% | 0.052 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -8.9 | 177 | -61.2 | 179 | 0 | 0 | 0 | 112.9 | F10 I11 N12 G16 K17 I19 L33 I72 | F10-L14 HydrophobicContact CD1-CD1 4.42Å; F10-L14 HydrophobicContact CE1-CD1 3.85Å; F10-L14 HydrophobicContact CZ-CD1 3.98Å; F10-L14 PolarHBondContact O-N 3.18Å; I11-L14 WeakPolarHBondContact O-CB 3.27Å; I11-L14 PolarHBondContact O-N 3.34Å; N12-L14 PolarHBondContact O-N 3.13Å; L14-G16 PolarHBondContact O-N 2.92Å; L14-K17 WeakPolarHBondContact O-CB 3.24Å; L14-K17 PolarHBondContact O-N 2.91Å; L14-I19 HydrophobicContact CB-CG2 3.92Å; L14-I19 HydrophobicContact CD1-CG2 4.23Å; L14-I19 HydrophobicContact CG-CG2 4.46Å; L14-L33 HydrophobicContact CB-CD2 3.88Å; L14-I72 HydrophobicContact CD1-CD1 3.77Å; L14-I72 HydrophobicContact CD1-CG1 3.8Å |
| 15 | I | 97.3 | Very high | 96.5 | Very high | 75 Ų | 75 | 64.5 Ų | 64.5 | 39% | 0.385 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | 131.6 | 177.1 | -63.1 | 172.8 | 0 | 0 | 0 | 109 | N12 K17 L33 T36 | N12-I15 HydrophobicContact CB-CD1 4.49Å; N12-I15 PolarHBondContact O-N 2.65Å; I15-K17 VanDerWaalsContact C-N 3.29Å; I15-K17 PolarHBondContact O-N 2.91Å; I15-L33 HydrophobicContact CG1-CD2 4.14Å; I15-L33 HydrophobicContact CG1-CG 4.42Å; I15-T36 HydrophobicContact CD1-CG2 4.45Å |
| 16 | G | 96.7 | Very high | 96.6 | Very high | 54 Ų | 54 | 61.4 Ų | 61.4 | 56% | 0.557 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | -4.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L14 L33 | L14-G16 PolarHBondContact O-N 2.92Å; G16-L33 PolarHBondContact N-O 3.42Å |
| 17 | K | 97.5 | Very high | 96.7 | Very high | 103 Ų | 103 | 58.6 Ų | 58.6 | 45% | 0.448 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -102.6 | 155.5 | -176.7 | -61.6 | -177.3 | -177.7 | 163.6 | 0 | 111.9 | S13 L14 I15 I19 L33 | S13-K17 WeakPolarHBondContact O-CD 3.42Å; S13-K17 VanDerWaalsContact O-CE 3.3Å; S13-K17 WeakPolarHBondContact O-CE 3.41Å; S13-K17 PolarHBondContact O-NZ 2.93Å; L14-K17 WeakPolarHBondContact O-CB 3.24Å; L14-K17 PolarHBondContact O-N 2.91Å; I15-K17 VanDerWaalsContact C-N 3.29Å; I15-K17 PolarHBondContact O-N 2.91Å; K17-I19 PolarHBondContact O-N 2.78Å; K17-L33 PolarHBondContact O-N 3.45Å; K17-L33 VanDerWaalsContact O-N 3.12Å |
| 18 | P | 97.6 | Very high | 96.8 | Very high | 14 Ų | 14 | 56.9 Ų | 56.9 | 9% | 0.091 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 131.9 | 168 | 28.9 | -34.1 | 0 | 0 | 0 | 109.7 | G31 Y32 L75 E77 | P18-G31 WeakPolarHBondContact CA-O 3.28Å; P18-Y32 HydrophobicContact CB-CD1 4.48Å; P18-Y32 HydrophobicContact CB-CE1 4.22Å; P18-Y32 HydrophobicContact CG-CE1 4.44Å; P18-L75 HydrophobicContact CB-CB 4.02Å; P18-L75 HydrophobicContact CB-CD1 4.16Å; P18-L75 HydrophobicContact CG-CB 4.09Å; P18-L75 PolarHBondContact O-N 2.97Å; P18-E77 WeakPolarHBondContact CD-OE1 3.13Å; P18-E77 HydrophobicContact CG-CG 3.71Å |
| 19 | I | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 162.3 | -180 | 66.1 | 155.6 | 0 | 0 | 0 | 111.2 | L14 K17 V21 K30 G31 L33 L44 I72 R73 | L14-I19 HydrophobicContact CB-CG2 3.92Å; L14-I19 HydrophobicContact CD1-CG2 4.23Å; L14-I19 HydrophobicContact CG-CG2 4.46Å; K17-I19 PolarHBondContact O-N 2.78Å; I19-V21 HydrophobicContact CD1-CG2 3.4Å; I19-V21 HydrophobicContact CG1-CG2 4.32Å; I19-K30 WeakPolarHBondContact O-CA 3.41Å; I19-G31 WeakPolarHBondContact CG1-O 3.46Å; I19-G31 PolarHBondContact N-O 2.86Å; I19-G31 PolarHBondContact O-N 2.83Å; I19-G31 VanDerWaalsContact O-N 3.13Å; I19-L33 HydrophobicContact CD1-CB 3.98Å; I19-L33 HydrophobicContact CD1-CD1 4.24Å; I19-L33 HydrophobicContact CD1-CG 4.48Å; I19-L33 HydrophobicContact CG1-CB 4.17Å; I19-L33 HydrophobicContact CG2-CB 4.15Å; I19-L44 HydrophobicContact CD1-CD2 3.55Å; I19-L44 HydrophobicContact CG1-CD2 4.02Å; I19-I72 HydrophobicContact CB-CG1 4.43Å; I19-I72 HydrophobicContact CD1-CD1 3.45Å; I19-I72 VanDerWaalsContact CD1-CD1 3.45Å; I19-I72 HydrophobicContact CD1-CG1 3.89Å; I19-I72 HydrophobicContact CG2-CD1 4.48Å; I19-R73 CarbonylContact C-O 3.57Å; I19-R73 VanDerWaalsContact CA-O 3.28Å; I19-R73 WeakPolarHBondContact CA-O 3.34Å; I19-R73 WeakPolarHBondContact CB-O 3.44Å |
| 20 | I | 98 | Very high | 97.1 | Very high | 14 Ų | 14 | 52.5 Ų | 52.5 | 7% | 0.072 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 129.7 | 162.7 | -72.5 | 166.9 | 0 | 0 | 0 | 109.2 | E28 Y29 K30 I72 R73 L75 | I20-E28 HydrophobicContact CG2-CB 4.37Å; I20-Y29 CarbonylContact C-O 3.58Å; I20-Y29 WeakPolarHBondContact CA-O 3.44Å; I20-K30 HydrophobicContact CD1-CD 4.47Å; I20-K30 HydrophobicContact CG1-CB 3.96Å; I20-K30 HydrophobicContact CG1-CD 4.5Å; I20-K30 HydrophobicContact CG1-CG 4.05Å; I20-I72 WeakPolarHBondContact O-CA 3.3Å; I20-R73 HydrophobicContact CB-CG 4.02Å; I20-R73 VanDerWaalsContact CD1-CZ 3.47Å; I20-R73 PolarHBondContact N-O 3.45Å; I20-R73 PolarHBondContact O-N 3.42Å; I20-L75 HydrophobicContact CD1-CD1 3.78Å; I20-L75 HydrophobicContact CD1-CD2 3.69Å; I20-L75 HydrophobicContact CD1-CG 3.82Å; I20-L75 HydrophobicContact CG1-CD1 3.7Å; I20-L75 HydrophobicContact CG1-CD2 4.44Å; I20-L75 HydrophobicContact CG1-CG 4.02Å |
| 21 | V | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 119.5 | 174.7 | -174.4 | 0 | 0 | 0 | 0 | 108.2 | I19 L23 E28 Y29 L42 L44 I64 V69 Y71 I72 | I19-V21 HydrophobicContact CD1-CG2 3.4Å; I19-V21 HydrophobicContact CG1-CG2 4.32Å; V21-L23 HydrophobicContact CG1-CD2 4.25Å; V21-E28 CarbonylContact O-C 3.56Å; V21-E28 WeakPolarHBondContact O-CA 3.47Å; V21-Y29 PolarHBondContact N-O 2.88Å; V21-Y29 PolarHBondContact O-N 2.72Å; V21-L42 HydrophobicContact CB-CD1 4.46Å; V21-L42 HydrophobicContact CG1-CD1 3.93Å; V21-L42 HydrophobicContact CG2-CD1 3.63Å; V21-L44 HydrophobicContact CG2-CD1 4.22Å; V21-I64 HydrophobicContact CB-CD1 4.05Å; V21-I64 HydrophobicContact CG1-CD1 4.02Å; V21-I64 HydrophobicContact CG2-CD1 4.25Å; V21-V69 HydrophobicContact CG1-CG1 4Å; V21-V69 HydrophobicContact CG1-CG2 3.97Å; V21-Y71 WeakPolarHBondContact CA-O 3.21Å; V21-I72 HydrophobicContact CG2-CG1 4.34Å |
| 22 | K | 98.1 | Very high | 97.3 | Very high | 52 Ų | 52 | 53.2 Ų | 53.2 | 23% | 0.226 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 130.9 | 170.7 | -172 | 159.8 | -163 | 140.6 | 0 | 109.9 | E28 L70 Y71 | K22-E28 HydrophobicContact CB-CG 4.03Å; K22-E28 HydrophobicContact CD-CG 4.04Å; K22-E28 WeakPolarHBondContact CD-OE1 3.44Å; K22-E28 WeakPolarHBondContact CE-OE1 3.38Å; K22-E28 HydrophobicContact CG-CG 3.87Å; K22-E28 IonicContact NZ-OE1 2.72Å; K22-E28 PolarHBondContact NZ-OE1 2.88Å; K22-L70 HydrophobicContact CD-CD2 4.33Å; K22-L70 HydrophobicContact CG-CD2 4.31Å; K22-L70 WeakPolarHBondContact O-CB 3.36Å; K22-L70 PolarHBondContact O-N 3.3Å; K22-Y71 HydrophobicContact CB-CD1 3.98Å; K22-Y71 HydrophobicContact CB-CD2 4.18Å; K22-Y71 HydrophobicContact CB-CE1 3.59Å; K22-Y71 HydrophobicContact CB-CE2 3.76Å; K22-Y71 HydrophobicContact CB-CG 4.25Å; K22-Y71 VanDerWaalsContact CB-CZ 3.45Å; K22-Y71 HydrophobicContact CD-CD1 4.46Å; K22-Y71 HydrophobicContact CD-CE1 3.52Å; K22-Y71 WeakPolarHBondContact CD-OH 2.87Å; K22-Y71 HydrophobicContact CG-CE1 4.07Å; K22-Y71 PolarHBondContact N-O 3.08Å; K22-Y71 PolarHBondContact O-N 3.09Å |
| 23 | L | 98.2 | Very high | 97.4 | Very high | 15 Ų | 15 | 48.8 Ų | 48.8 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 156.2 | 171.9 | -56.8 | -165 | 0 | 0 | 0 | 111.2 | V21 W25 G26 M27 Y29 I64 N68 | V21-L23 HydrophobicContact CG1-CD2 4.25Å; L23-W25 PolarHBondContact O-N 2.84Å; L23-G26 PolarHBondContact O-N 3.26Å; L23-M27 PolarHBondContact N-O 3.45Å; L23-Y29 HydrophobicContact CD1-CD2 4.09Å; L23-Y29 HydrophobicContact CD1-CE2 3.31Å; L23-Y29 HydrophobicContact CD2-CD2 4.23Å; L23-Y29 HydrophobicContact CD2-CE2 4.27Å; L23-Y29 HydrophobicContact CG-CD2 3.85Å; L23-Y29 HydrophobicContact CG-CE2 3.52Å; L23-I64 HydrophobicContact CD2-CG2 3.81Å; L23-N68 CarbonylContact C-O 3.59Å; L23-N68 VanDerWaalsContact CA-O 3.25Å; L23-N68 WeakPolarHBondContact CA-O 3.4Å; L23-N68 HydrophobicContact CD1-CB 4.42Å; L23-N68 HydrophobicContact CD2-CB 4.13Å |
| 24 | K | 97.6 | Very high | 97.5 | Very high | 114 Ų | 114 | 49.8 Ų | 49.8 | 50% | 0.496 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -24.3 | 175.7 | -71.1 | 173.8 | -180 | 177.8 | 0 | 113.8 | N67 N68 V69 L70 | K24-N67 WeakPolarHBondContact CD-O 3.44Å; K24-N67 WeakPolarHBondContact CE-O 3.36Å; K24-N67 PolarHBondContact NZ-O 2.75Å; K24-N68 WeakPolarHBondContact CG-O 3.43Å; K24-N68 PolarHBondContact N-O 3.39Å; K24-V69 WeakPolarHBondContact CE-O 3.21Å; K24-L70 HydrophobicContact CG-CB 4.38Å |
| 25 | W | 94.8 | Very high | 97.6 | Very high | 183 Ų | 183 | 51.6 Ų | 51.6 | 69% | 0.693 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | 6.6 | -175.4 | -42 | 120.1 | 0 | 0 | 0 | 113.3 | L23 M27 N68 | L23-W25 PolarHBondContact O-N 2.84Å; W25-M27 HydrophobicContact CB-CE 3.36Å; W25-M27 HydrophobicContact CG-CE 4.18Å; W25-N68 PolarHBondContact NE1-OD1 3.09Å |
| 26 | G | 95.1 | Very high | 97.6 | Very high | 37 Ų | 37 | 49.6 Ų | 49.6 | 38% | 0.381 | 25% | 0.253 | S | S | . | . | S | Bend | trans | 100.1 | -23.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | L23 | L23-G26 PolarHBondContact O-N 3.26Š|
| 27 | M | 97.4 | Very high | 97.6 | Very high | 48 Ų | 48 | 50.3 Ų | 50.3 | 24% | 0.236 | 24% | 0.243 | C | C | . | . | trans | -61.4 | 143.5 | 173.6 | -69.1 | 145.9 | -71.4 | 0 | 0 | 111.3 | L23 W25 Y29 I51 | L23-M27 PolarHBondContact N-O 3.45Å; W25-M27 HydrophobicContact CB-CE 3.36Å; W25-M27 HydrophobicContact CG-CE 4.18Å; M27-Y29 HydrophobicContact CB-CE2 3.84Å; M27-I51 HydrophobicContact CG-CG1 4.05Å | ||
| 28 | E | 98 | Very high | 97.5 | Very high | 44 Ų | 44 | 51.6 Ų | 51.6 | 21% | 0.206 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 138.4 | 174.6 | -69.8 | 179.9 | -166.5 | 0 | 0 | 109.9 | I20 V21 K22 Y50 | I20-E28 HydrophobicContact CG2-CB 4.37Å; V21-E28 CarbonylContact O-C 3.56Å; V21-E28 WeakPolarHBondContact O-CA 3.47Å; K22-E28 HydrophobicContact CB-CG 4.03Å; K22-E28 HydrophobicContact CD-CG 4.04Å; K22-E28 WeakPolarHBondContact CD-OE1 3.44Å; K22-E28 WeakPolarHBondContact CE-OE1 3.38Å; K22-E28 HydrophobicContact CG-CG 3.87Å; K22-E28 IonicContact NZ-OE1 2.72Å; K22-E28 PolarHBondContact NZ-OE1 2.88Å; E28-Y50 PolarHBondContact N-O 3.03Å; E28-Y50 PolarHBondContact O-N 2.88Å |
| 29 | Y | 98.2 | Very high | 97.5 | Very high | 24 Ų | 24 | 59.3 Ų | 59.3 | 9% | 0.094 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 122.6 | 177.7 | -64.7 | -93.2 | 0 | 0 | 0 | 108.3 | I20 V21 L23 M27 T47 E48 E49 L59 I64 | I20-Y29 CarbonylContact C-O 3.58Å; I20-Y29 WeakPolarHBondContact CA-O 3.44Å; V21-Y29 PolarHBondContact N-O 2.88Å; V21-Y29 PolarHBondContact O-N 2.72Å; L23-Y29 HydrophobicContact CD1-CD2 4.09Å; L23-Y29 HydrophobicContact CD1-CE2 3.31Å; L23-Y29 HydrophobicContact CD2-CD2 4.23Å; L23-Y29 HydrophobicContact CD2-CE2 4.27Å; L23-Y29 HydrophobicContact CG-CD2 3.85Å; L23-Y29 HydrophobicContact CG-CE2 3.52Å; M27-Y29 HydrophobicContact CB-CE2 3.84Å; Y29-T47 HydrophobicContact CD1-CG2 3.78Å; Y29-T47 HydrophobicContact CG-CG2 4.38Å; Y29-E48 WeakPolarHBondContact CA-O 3.37Å; Y29-E49 HydrophobicContact CD1-CB 4.38Å; Y29-E49 HydrophobicContact CE1-CB 4.09Å; Y29-E49 HydrophobicContact CE1-CG 3.9Å; Y29-E49 WeakPolarHBondContact CE1-OE1 3.41Å; Y29-E49 PolarHBondContact OH-OE1 3.49Å; Y29-L59 HydrophobicContact CD1-CD1 3.93Å; Y29-L59 HydrophobicContact CE1-CD1 3.48Å; Y29-L59 VanDerWaalsContact CE1-CD1 3.48Å; Y29-I64 HydrophobicContact CD2-CD1 4.16Å; Y29-I64 HydrophobicContact CG-CD1 3.96Å |
| 30 | K | 98 | Very high | 97.4 | Very high | 70 Ų | 70 | 62.8 Ų | 62.8 | 30% | 0.304 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 132.8 | 176.4 | 176.8 | 176.9 | 162.4 | -143.6 | 0 | 108.7 | I19 I20 T47 E48 Y50 L75 | I19-K30 WeakPolarHBondContact O-CA 3.41Å; I20-K30 HydrophobicContact CD1-CD 4.47Å; I20-K30 HydrophobicContact CG1-CB 3.96Å; I20-K30 HydrophobicContact CG1-CD 4.5Å; I20-K30 HydrophobicContact CG1-CG 4.05Å; K30-T47 CarbonylContact O-C 3.49Å; K30-T47 VanDerWaalsContact O-CA 3.27Å; K30-T47 WeakPolarHBondContact O-CA 3.37Å; K30-E48 HydrophobicContact CB-CB 4.34Å; K30-E48 WeakPolarHBondContact CD-OE2 3.26Å; K30-E48 PolarHBondContact N-O 3.3Å; K30-E48 IonicContact NZ-OE2 3.23Å; K30-E48 PolarHBondContact NZ-OE2 3.03Å; K30-E48 PolarHBondContact O-N 3.41Å; K30-Y50 HydrophobicContact CB-CD2 4.28Å; K30-Y50 HydrophobicContact CB-CE2 3.82Å; K30-Y50 HydrophobicContact CD-CE2 4.16Å; K30-L75 HydrophobicContact CD-CD1 3.92Å; K30-L75 HydrophobicContact CG-CD1 3.74Å |
| 31 | G | 97.8 | Very high | 97.5 | Very high | 6 Ų | 6 | 63.8 Ų | 63.8 | 6% | 0.062 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.9 | -177.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | P18 I19 A45 | P18-G31 WeakPolarHBondContact CA-O 3.28Å; I19-G31 WeakPolarHBondContact CG1-O 3.46Å; I19-G31 PolarHBondContact N-O 2.86Å; I19-G31 PolarHBondContact O-N 2.83Å; I19-G31 VanDerWaalsContact O-N 3.13Å; G31-A45 WeakPolarHBondContact CA-O 3.47Å |
| 32 | Y | 98 | Very high | 97.5 | Very high | 104 Ų | 104 | 63.9 Ų | 63.9 | 41% | 0.408 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 127.7 | 175.6 | -70.2 | -91.5 | 0 | 0 | 0 | 110.5 | P18 L34 L44 A45 H46 | P18-Y32 HydrophobicContact CB-CD1 4.48Å; P18-Y32 HydrophobicContact CB-CE1 4.22Å; P18-Y32 HydrophobicContact CG-CE1 4.44Å; Y32-L34 PolarHBondContact O-N 3.13Å; Y32-L44 CarbonylContact O-C 3.54Å; Y32-L44 VanDerWaalsContact O-CA 3.26Å; Y32-L44 WeakPolarHBondContact O-CA 3.35Å; Y32-A45 PolarHBondContact N-O 3.36Å; Y32-A45 PolarHBondContact O-N 2.82Å; Y32-H46 HydrophobicContact CD2-CB 4.44Å |
| 33 | L | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 106.9 | 176.5 | -177.8 | 61 | 0 | 0 | 0 | 110.5 | I11 L14 I15 G16 K17 I19 S35 L42 L44 I72 | I11-L33 HydrophobicContact CG2-CD2 4.2Å; L14-L33 HydrophobicContact CB-CD2 3.88Å; I15-L33 HydrophobicContact CG1-CD2 4.14Å; I15-L33 HydrophobicContact CG1-CG 4.42Å; G16-L33 PolarHBondContact N-O 3.42Å; K17-L33 PolarHBondContact O-N 3.45Å; K17-L33 VanDerWaalsContact O-N 3.12Å; I19-L33 HydrophobicContact CD1-CB 3.98Å; I19-L33 HydrophobicContact CD1-CD1 4.24Å; I19-L33 HydrophobicContact CD1-CG 4.48Å; I19-L33 HydrophobicContact CG1-CB 4.17Å; I19-L33 HydrophobicContact CG2-CB 4.15Å; L33-S35 WeakPolarHBondContact CD1-O 3.21Å; L33-L42 HydrophobicContact CD1-CB 4.12Å; L33-L42 HydrophobicContact CD1-CD2 4.01Å; L33-L44 HydrophobicContact CB-CD2 4.33Å; L33-L44 HydrophobicContact CD1-CD2 3.8Å; L33-I72 HydrophobicContact CD2-CD1 4.27Å |
| 34 | L | 98.1 | Very high | 97.5 | Very high | 79 Ų | 79 | 63.6 Ų | 63.6 | 41% | 0.414 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | -46.9 | 178.3 | -65.6 | -173 | 0 | 0 | 0 | 112.2 | Y32 Q43 A45 | Y32-L34 PolarHBondContact O-N 3.13Å; L34-Q43 HydrophobicContact CB-CB 4.34Å; L34-Q43 HydrophobicContact CB-CG 4.13Å; L34-Q43 HydrophobicContact CD1-CG 4.16Å; L34-Q43 PolarHBondContact N-O 2.83Å; L34-A45 HydrophobicContact CD1-CB 3.85Å; L34-A45 HydrophobicContact CD2-CB 3.76Å; L34-A45 HydrophobicContact CG-CB 3.76Å |
| 35 | S | 97.9 | Very high | 97.5 | Very high | 47 Ų | 47 | 58.9 Ų | 58.9 | 33% | 0.329 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 162.6 | -176.5 | 76.5 | 0 | 0 | 0 | 0 | 112.1 | L33 Q43 | L33-S35 WeakPolarHBondContact CD1-O 3.21Å; S35-Q43 PolarHBondContact O-N 2.82Å; S35-Q43 WeakPolarHBondContact OG-CB 3.49Å; S35-Q43 PolarHBondContact OG-OE1 2.76Å |
| 36 | T | 97.9 | Very high | 97.6 | Very high | 34 Ų | 34 | 57 Ų | 57 | 21% | 0.209 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 156.5 | 170.1 | -167.9 | 0 | 0 | 0 | 0 | 110.4 | I11 I15 N41 | I11-T36 HydrophobicContact CG2-CG2 3.82Å; I15-T36 HydrophobicContact CD1-CG2 4.45Å; T36-N41 VanDerWaalsContact CA-O 3.22Å; T36-N41 WeakPolarHBondContact CA-O 3.41Å; T36-N41 WeakPolarHBondContact CB-O 3.4Å; T36-N41 PolarHBondContact OG1-O 2.84Å |
| 37 | D | 96.7 | Very high | 97.8 | Very high | 68 Ų | 68 | 55.3 Ų | 55.3 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | trans | -109.1 | -177.5 | 175.6 | 73.1 | 6.3 | 0 | 0 | 0 | 112.5 | Y39 M40 N41 | D37-Y39 PolarHBondContact O-N 2.77Å; D37-Y39 WeakPolarHBondContact OD1-CA 3.5Å; D37-Y39 WeakPolarHBondContact OD1-CB 3.25Å; D37-Y39 PolarHBondContact OD1-N 3.19Å; D37-M40 PolarHBondContact O-N 3.12Å; D37-M40 VanDerWaalsContact O-N 3.07Å; D37-M40 PolarHBondContact OD1-N 2.65Å; D37-N41 PolarHBondContact N-O 3.5Å; D37-N41 PolarHBondContact OD1-N 2.82Å; D37-N41 PolarHBondContact OD1-ND2 2.83Å; D37-N41 PolarHBondContact OD2-ND2 2.92Å | ||
| 38 | N | 96 | Very high | 97.8 | Very high | 131 Ų | 131 | 55.2 Ų | 55.2 | 70% | 0.701 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -17.3 | 178.8 | -79.1 | -48.6 | 0 | 0 | 0 | 114.4 | ||
| 39 | Y | 97.2 | Very high | 97.8 | Very high | 176 Ų | 176 | 54.9 Ų | 54.9 | 69% | 0.69 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -2 | 176.6 | -62.9 | -73.2 | 0 | 0 | 0 | 112.4 | D37 N41 C66 | D37-Y39 PolarHBondContact O-N 2.77Å; D37-Y39 WeakPolarHBondContact OD1-CA 3.5Å; D37-Y39 WeakPolarHBondContact OD1-CB 3.25Å; D37-Y39 PolarHBondContact OD1-N 3.19Å; Y39-N41 VanDerWaalsContact C-N 3.32Å; Y39-C66 WeakPolarHBondContact O-CB 3.45Å; Y39-C66 PolarHBondContact O-SG 2.87Å; Y39-C66 VanDerWaalsContact O-SG 3.38Å |
| 40 | M | 97 | Very high | 97.8 | Very high | 73 Ų | 73 | 56.3 Ų | 56.3 | 36% | 0.36 | 27% | 0.272 | S | S | . | . | trans | 64.4 | 33.8 | -173 | -50.1 | 176.1 | -176.4 | 0 | 0 | 112.8 | P7 I11 D37 C66 | P7-M40 HydrophobicContact CB-CE 4.16Å; I11-M40 HydrophobicContact CD1-CB 4.39Å; I11-M40 HydrophobicContact CD1-CE 4.27Å; I11-M40 HydrophobicContact CD1-CG 3.93Å; I11-M40 HydrophobicContact CD1-SD 3.7Å; D37-M40 PolarHBondContact O-N 3.12Å; D37-M40 VanDerWaalsContact O-N 3.07Å; D37-M40 PolarHBondContact OD1-N 2.65Å; M40-C66 HydrophobicContact CB-CB 4.41Å; M40-C66 WeakPolarHBondContact O-CB 3.41Å | ||
| 41 | N | 98.2 | Very high | 97.8 | Very high | 34 Ų | 34 | 56.3 Ų | 56.3 | 18% | 0.182 | 28% | 0.275 | C | S | . | . | trans | -67.5 | 143.8 | 159.1 | -62 | -52.9 | 0 | 0 | 0 | 108.2 | T36 D37 Y39 L63 I64 R65 C66 | T36-N41 VanDerWaalsContact CA-O 3.22Å; T36-N41 WeakPolarHBondContact CA-O 3.41Å; T36-N41 WeakPolarHBondContact CB-O 3.4Å; T36-N41 PolarHBondContact OG1-O 2.84Å; D37-N41 PolarHBondContact N-O 3.5Å; D37-N41 PolarHBondContact OD1-N 2.82Å; D37-N41 PolarHBondContact OD1-ND2 2.83Å; D37-N41 PolarHBondContact OD2-ND2 2.92Å; Y39-N41 VanDerWaalsContact C-N 3.32Å; N41-L63 HydrophobicContact CB-CD1 4.42Å; N41-I64 WeakPolarHBondContact CA-O 3.45Å; N41-R65 WeakPolarHBondContact OD1-CA 3.41Å; N41-C66 PolarHBondContact OD1-N 2.9Å | ||
| 42 | L | 98.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.016 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 127.2 | -173.2 | -51.8 | 173.4 | 0 | 0 | 0 | 109.8 | I11 V21 L33 L44 L63 I64 V69 I72 | I11-L42 HydrophobicContact CG2-CD2 4.38Å; V21-L42 HydrophobicContact CB-CD1 4.46Å; V21-L42 HydrophobicContact CG1-CD1 3.93Å; V21-L42 HydrophobicContact CG2-CD1 3.63Å; L33-L42 HydrophobicContact CD1-CB 4.12Å; L33-L42 HydrophobicContact CD1-CD2 4.01Å; L42-L44 HydrophobicContact CB-CD2 4.4Å; L42-L63 CarbonylContact O-C 3.52Å; L42-L63 WeakPolarHBondContact O-CA 3.44Å; L42-I64 HydrophobicContact CB-CB 4.29Å; L42-I64 PolarHBondContact N-O 3.48Å; L42-I64 PolarHBondContact O-N 2.72Å; L42-V69 HydrophobicContact CD1-CG2 4.15Å; L42-I72 HydrophobicContact CD1-CD1 4.28Å; L42-I72 HydrophobicContact CD2-CD1 4.43Å |
| 43 | Q | 98.5 | Very high | 97.4 | Very high | 60 Ų | 60 | 61.5 Ų | 61.5 | 28% | 0.28 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 120.5 | 169.5 | -173.8 | -174.3 | 13 | 0 | 0 | 108.7 | L34 S35 E61 | L34-Q43 HydrophobicContact CB-CB 4.34Å; L34-Q43 HydrophobicContact CB-CG 4.13Å; L34-Q43 HydrophobicContact CD1-CG 4.16Å; L34-Q43 PolarHBondContact N-O 2.83Å; S35-Q43 PolarHBondContact O-N 2.82Å; S35-Q43 WeakPolarHBondContact OG-CB 3.49Å; S35-Q43 PolarHBondContact OG-OE1 2.76Å; Q43-E61 PolarHBondContact NE2-OE1 3.32Å |
| 44 | L | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 142.1 | -179.7 | -54.7 | -171.7 | 0 | 0 | 0 | 111.5 | I19 V21 Y32 L33 L42 T47 E61 T62 I64 | I19-L44 HydrophobicContact CD1-CD2 3.55Å; I19-L44 HydrophobicContact CG1-CD2 4.02Å; V21-L44 HydrophobicContact CG2-CD1 4.22Å; Y32-L44 CarbonylContact O-C 3.54Å; Y32-L44 VanDerWaalsContact O-CA 3.26Å; Y32-L44 WeakPolarHBondContact O-CA 3.35Å; L33-L44 HydrophobicContact CB-CD2 4.33Å; L33-L44 HydrophobicContact CD1-CD2 3.8Å; L42-L44 HydrophobicContact CB-CD2 4.4Å; L44-T47 HydrophobicContact CB-CG2 4.45Å; L44-T47 WeakPolarHBondContact CB-OG1 3.5Å; L44-T47 HydrophobicContact CD1-CG2 4.15Å; L44-E61 WeakPolarHBondContact O-CA 3.25Å; L44-T62 PolarHBondContact N-O 3.29Å; L44-T62 PolarHBondContact O-N 2.96Å; L44-I64 HydrophobicContact CD1-CD1 3.65Å; L44-I64 HydrophobicContact CG-CD1 4.36Å |
| 45 | A | 98.1 | Very high | 97.3 | Very high | 16 Ų | 16 | 69.2 Ų | 69.2 | 13% | 0.132 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 153.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | G31 Y32 L34 T47 | G31-A45 WeakPolarHBondContact CA-O 3.47Å; Y32-A45 PolarHBondContact N-O 3.36Å; Y32-A45 PolarHBondContact O-N 2.82Å; L34-A45 HydrophobicContact CD1-CB 3.85Å; L34-A45 HydrophobicContact CD2-CB 3.76Å; L34-A45 HydrophobicContact CG-CB 3.76Å; A45-T47 PolarHBondContact O-N 2.93Å |
| 46 | H | 97.1 | Very high | 97.3 | Very high | 144 Ų | 144 | 69.6 Ų | 69.6 | 67% | 0.667 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 49.9 | 44.3 | 179.5 | -54.8 | -67.4 | 0 | 0 | 0 | 112.6 | Y32 E48 G60 | Y32-H46 HydrophobicContact CD2-CB 4.44Å; H46-E48 PolarHBondContact O-N 2.62Å; H46-G60 PolarHBondContact N-O 3.01Å |
| 47 | T | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 124.1 | -171.8 | -47.6 | 0 | 0 | 0 | 0 | 110.9 | Y29 K30 L44 A45 L59 G60 T62 | Y29-T47 HydrophobicContact CD1-CG2 3.78Å; Y29-T47 HydrophobicContact CG-CG2 4.38Å; K30-T47 CarbonylContact O-C 3.49Å; K30-T47 VanDerWaalsContact O-CA 3.27Å; K30-T47 WeakPolarHBondContact O-CA 3.37Å; L44-T47 HydrophobicContact CB-CG2 4.45Å; L44-T47 WeakPolarHBondContact CB-OG1 3.5Å; L44-T47 HydrophobicContact CD1-CG2 4.15Å; A45-T47 PolarHBondContact O-N 2.93Å; T47-L59 PolarHBondContact O-N 3.01Å; T47-G60 VanDerWaalsContact CB-O 3.24Å; T47-G60 WeakPolarHBondContact CB-O 3.45Å; T47-G60 PolarHBondContact N-O 2.82Å; T47-G60 PolarHBondContact O-N 2.69Å; T47-G60 PolarHBondContact OG1-O 3.39Å; T47-T62 HydrophobicContact CG2-CG2 4.48Å; T47-T62 PolarHBondContact OG1-OG1 3.02Å |
| 48 | E | 98.2 | Very high | 97.2 | Very high | 47 Ų | 47 | 71.7 Ų | 71.7 | 22% | 0.22 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 130.1 | 169.8 | -65.9 | 173.1 | 167.9 | 0 | 0 | 108.7 | Y29 K30 H46 Y50 L55 | Y29-E48 WeakPolarHBondContact CA-O 3.37Å; K30-E48 HydrophobicContact CB-CB 4.34Å; K30-E48 WeakPolarHBondContact CD-OE2 3.26Å; K30-E48 PolarHBondContact N-O 3.3Å; K30-E48 IonicContact NZ-OE2 3.23Å; K30-E48 PolarHBondContact NZ-OE2 3.03Å; K30-E48 PolarHBondContact O-N 3.41Å; H46-E48 PolarHBondContact O-N 2.62Å; E48-Y50 HydrophobicContact CB-CD2 4.21Å; E48-Y50 HydrophobicContact CB-CE2 3.52Å; E48-Y50 HydrophobicContact CG-CE2 4.49Å; E48-Y50 WeakPolarHBondContact OE2-CE2 3.4Å; E48-Y50 PolarHBondContact OE2-OH 3.26Å; E48-L55 HydrophobicContact CB-CD1 3.85Å; E48-L55 HydrophobicContact CG-CD1 4.18Å |
| 49 | E | 98.3 | Very high | 97.3 | Very high | 37 Ų | 37 | 69.2 Ų | 69.2 | 17% | 0.173 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 131.6 | 172.8 | -176.2 | 176.8 | -108.2 | 0 | 0 | 110.3 | Y29 I51 A56 G57 L59 | Y29-E49 HydrophobicContact CD1-CB 4.38Å; Y29-E49 HydrophobicContact CE1-CB 4.09Å; Y29-E49 HydrophobicContact CE1-CG 3.9Å; Y29-E49 WeakPolarHBondContact CE1-OE1 3.41Å; Y29-E49 PolarHBondContact OH-OE1 3.49Å; E49-I51 HydrophobicContact CG-CG1 4.29Å; E49-A56 HydrophobicContact CB-CB 4.47Å; E49-A56 HydrophobicContact CG-CB 4.27Å; E49-A56 PolarHBondContact O-N 2.85Å; E49-G57 PolarHBondContact N-O 3Å; E49-G57 PolarHBondContact O-N 3.03Å; E49-L59 HydrophobicContact CB-CD1 3.98Å; E49-L59 HydrophobicContact CB-CG 4.27Å |
| 50 | Y | 98.3 | Very high | 97.3 | Very high | 53 Ų | 53 | 62.3 Ų | 62.3 | 21% | 0.208 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 125.3 | 176 | -69.8 | -102.5 | 0 | 0 | 0 | 110.2 | E28 K30 E48 Q54 L55 | E28-Y50 PolarHBondContact N-O 3.03Å; E28-Y50 PolarHBondContact O-N 2.88Å; K30-Y50 HydrophobicContact CB-CD2 4.28Å; K30-Y50 HydrophobicContact CB-CE2 3.82Å; K30-Y50 HydrophobicContact CD-CE2 4.16Å; E48-Y50 HydrophobicContact CB-CD2 4.21Å; E48-Y50 HydrophobicContact CB-CE2 3.52Å; E48-Y50 HydrophobicContact CG-CE2 4.49Å; E48-Y50 WeakPolarHBondContact OE2-CE2 3.4Å; E48-Y50 PolarHBondContact OE2-OH 3.26Å; Y50-Q54 CarbonylContact C-O 3.56Å; Y50-Q54 VanDerWaalsContact CA-O 3.25Å; Y50-Q54 WeakPolarHBondContact CA-O 3.44Å; Y50-L55 HydrophobicContact CE1-CB 4.26Å; Y50-L55 HydrophobicContact CE2-CD1 4.22Å |
| 51 | I | 97.1 | Very high | 97.3 | Very high | 70 Ų | 70 | 65.3 Ų | 65.3 | 36% | 0.359 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 123.6 | 175.6 | -58.7 | 177.6 | 0 | 0 | 0 | 107.3 | M27 E49 G53 Q54 A56 | M27-I51 HydrophobicContact CG-CG1 4.05Å; E49-I51 HydrophobicContact CG-CG1 4.29Å; I51-G53 PolarHBondContact O-N 3.31Å; I51-Q54 PolarHBondContact N-O 2.97Å; I51-Q54 PolarHBondContact O-N 3.39Å; I51-A56 HydrophobicContact CB-CB 4.25Å; I51-A56 HydrophobicContact CD1-CB 3.71Å; I51-A56 HydrophobicContact CG1-CB 3.75Å |
| 52 | N | 94.6 | Very high | 97.3 | Very high | 156 Ų | 156 | 65 Ų | 65 | 83% | 0.834 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 35.1 | -175.8 | -57.2 | -37.9 | 0 | 0 | 0 | 113.5 | Q54 | N52-Q54 PolarHBondContact O-N 3.07Š|
| 53 | G | 93.1 | Very high | 97.3 | Very high | 64 Ų | 64 | 71 Ų | 71 | 66% | 0.66 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 2.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115 | I51 | I51-G53 PolarHBondContact O-N 3.31Š|
| 54 | Q | 97 | Very high | 97.2 | Very high | 146 Ų | 146 | 68.7 Ų | 68.7 | 68% | 0.682 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 141 | 176.6 | -63.9 | -176.3 | -21.4 | 0 | 0 | 110.5 | Y50 I51 N52 A56 | Y50-Q54 CarbonylContact C-O 3.56Å; Y50-Q54 VanDerWaalsContact CA-O 3.25Å; Y50-Q54 WeakPolarHBondContact CA-O 3.44Å; I51-Q54 PolarHBondContact N-O 2.97Å; I51-Q54 PolarHBondContact O-N 3.39Å; N52-Q54 PolarHBondContact O-N 3.07Å; Q54-A56 PolarHBondContact O-N 2.8Å; Q54-A56 VanDerWaalsContact O-N 3.13Å |
| 55 | L | 97.3 | Very high | 97.2 | Very high | 95 Ų | 95 | 76.8 Ų | 76.8 | 50% | 0.497 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 114 | 173.6 | -179.8 | 67.1 | 0 | 0 | 0 | 109.2 | E48 Y50 | E48-L55 HydrophobicContact CB-CD1 3.85Å; E48-L55 HydrophobicContact CG-CD1 4.18Å; Y50-L55 HydrophobicContact CE1-CB 4.26Å; Y50-L55 HydrophobicContact CE2-CD1 4.22Å |
| 56 | A | 97.1 | Very high | 97.2 | Very high | 55 Ų | 55 | 77.9 Ų | 77.9 | 46% | 0.455 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -31.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E49 I51 Q54 | E49-A56 HydrophobicContact CB-CB 4.47Å; E49-A56 HydrophobicContact CG-CB 4.27Å; E49-A56 PolarHBondContact O-N 2.85Å; I51-A56 HydrophobicContact CB-CB 4.25Å; I51-A56 HydrophobicContact CD1-CB 3.71Å; I51-A56 HydrophobicContact CG1-CB 3.75Å; Q54-A56 PolarHBondContact O-N 2.8Å; Q54-A56 VanDerWaalsContact O-N 3.13Å |
| 57 | G | 96.9 | Very high | 97.3 | Very high | 24 Ų | 24 | 74.6 Ų | 74.6 | 25% | 0.247 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.2 | 173.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | E49 | E49-G57 PolarHBondContact N-O 3Å; E49-G57 PolarHBondContact O-N 3.03Å |
| 58 | N | 97.2 | Very high | 97.3 | Very high | 121 Ų | 121 | 76.7 Ų | 76.7 | 65% | 0.647 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 120.3 | 174.1 | -65.2 | -65.5 | 0 | 0 | 0 | 109.2 | ||
| 59 | L | 97.1 | Very high | 97.3 | Very high | 80 Ų | 80 | 76 Ų | 76 | 42% | 0.419 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | -15.8 | -177.9 | -57.8 | -178.7 | 0 | 0 | 0 | 113.2 | Y29 T47 E49 E61 T62 | Y29-L59 HydrophobicContact CD1-CD1 3.93Å; Y29-L59 HydrophobicContact CE1-CD1 3.48Å; Y29-L59 VanDerWaalsContact CE1-CD1 3.48Å; T47-L59 PolarHBondContact O-N 3.01Å; E49-L59 HydrophobicContact CB-CD1 3.98Å; E49-L59 HydrophobicContact CB-CG 4.27Å; L59-E61 PolarHBondContact O-N 3.34Å; L59-T62 WeakPolarHBondContact CB-OG1 3.44Å |
| 60 | G | 96.7 | Very high | 97.3 | Very high | 31 Ų | 31 | 79.2 Ų | 79.2 | 32% | 0.32 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 72.1 | -124 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | H46 T47 | H46-G60 PolarHBondContact N-O 3.01Å; T47-G60 VanDerWaalsContact CB-O 3.24Å; T47-G60 WeakPolarHBondContact CB-O 3.45Å; T47-G60 PolarHBondContact N-O 2.82Å; T47-G60 PolarHBondContact O-N 2.69Å; T47-G60 PolarHBondContact OG1-O 3.39Å |
| 61 | E | 97.4 | Very high | 97.2 | Very high | 136 Ų | 136 | 81 Ų | 81 | 64% | 0.636 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 125.6 | 176.7 | -169.2 | 173.6 | 174.8 | 0 | 0 | 110.4 | Q43 L44 L59 | Q43-E61 PolarHBondContact NE2-OE1 3.32Å; L44-E61 WeakPolarHBondContact O-CA 3.25Å; L59-E61 PolarHBondContact O-N 3.34Å |
| 62 | T | 97.8 | Very high | 97.3 | Very high | 27 Ų | 27 | 78.9 Ų | 78.9 | 17% | 0.166 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 135.1 | -172.1 | -61.3 | 0 | 0 | 0 | 0 | 111.4 | L44 T47 L59 I64 | L44-T62 PolarHBondContact N-O 3.29Å; L44-T62 PolarHBondContact O-N 2.96Å; T47-T62 HydrophobicContact CG2-CG2 4.48Å; T47-T62 PolarHBondContact OG1-OG1 3.02Å; L59-T62 WeakPolarHBondContact CB-OG1 3.44Å; T62-I64 HydrophobicContact CG2-CG1 4.25Å |
| 63 | L | 98.1 | Very high | 97.4 | Very high | 130 Ų | 130 | 76.4 Ų | 76.4 | 68% | 0.681 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 119.3 | 170.4 | 178 | 68.9 | 0 | 0 | 0 | 109.9 | N41 L42 | N41-L63 HydrophobicContact CB-CD1 4.42Å; L42-L63 CarbonylContact O-C 3.52Å; L42-L63 WeakPolarHBondContact O-CA 3.44Å |
| 64 | I | 98.1 | Very high | 97.6 | Very high | 10 Ų | 10 | 74.8 Ų | 74.8 | 5% | 0.051 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 119.9 | 173.7 | -57 | 178.3 | 0 | 0 | 0 | 109.3 | V21 L23 Y29 N41 L42 L44 T62 V69 | V21-I64 HydrophobicContact CB-CD1 4.05Å; V21-I64 HydrophobicContact CG1-CD1 4.02Å; V21-I64 HydrophobicContact CG2-CD1 4.25Å; L23-I64 HydrophobicContact CD2-CG2 3.81Å; Y29-I64 HydrophobicContact CD2-CD1 4.16Å; Y29-I64 HydrophobicContact CG-CD1 3.96Å; N41-I64 WeakPolarHBondContact CA-O 3.45Å; L42-I64 HydrophobicContact CB-CB 4.29Å; L42-I64 PolarHBondContact N-O 3.48Å; L42-I64 PolarHBondContact O-N 2.72Å; L44-I64 HydrophobicContact CD1-CD1 3.65Å; L44-I64 HydrophobicContact CG-CD1 4.36Å; T62-I64 HydrophobicContact CG2-CG1 4.25Å; I64-V69 HydrophobicContact CG2-CG2 3.84Å |
| 65 | R | 98.3 | Very high | 97.4 | Very high | 170 Ų | 170 | 70 Ų | 70 | 64% | 0.642 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -72.6 | 131.8 | 174.1 | -166.8 | -177.8 | 174.7 | -178.2 | 0.6 | 110.9 | N41 N67 N68 | N41-R65 WeakPolarHBondContact OD1-CA 3.41Å; R65-N67 VanDerWaalsContact C-N 3.27Å; R65-N67 WeakPolarHBondContact CD-OD1 3.22Å; R65-N67 WeakPolarHBondContact CG-OD1 3.34Å; R65-N67 PolarHBondContact NE-OD1 2.76Å; R65-N67 PolarHBondContact O-N 3.42Å; R65-N67 VanDerWaalsContact O-N 3.09Å; R65-N68 PolarHBondContact O-N 2.95Å; R65-N68 VanDerWaalsContact O-N 3.08Å |
| 66 | C | 97.5 | Very high | 96.6 | Very high | 39 Ų | 39 | 74.5 Ų | 74.5 | 26% | 0.264 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -50.8 | -39.8 | -171.1 | 60.4 | 0 | 0 | 0 | 0 | 114.9 | Y39 M40 N41 N68 V69 | Y39-C66 WeakPolarHBondContact O-CB 3.45Å; Y39-C66 PolarHBondContact O-SG 2.87Å; Y39-C66 VanDerWaalsContact O-SG 3.38Å; M40-C66 HydrophobicContact CB-CB 4.41Å; M40-C66 WeakPolarHBondContact O-CB 3.41Å; N41-C66 PolarHBondContact OD1-N 2.9Å; C66-N68 PolarHBondContact O-N 3.08Å; C66-N68 VanDerWaalsContact O-N 3.09Å; C66-V69 PolarHBondContact O-N 2.88Å; C66-V69 VanDerWaalsContact O-N 3.08Å |
| 67 | N | 98.2 | Very high | 95 | Very high | 76 Ų | 76 | 78.1 Ų | 78.1 | 41% | 0.406 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -68.8 | -11.3 | -174.3 | 73.1 | -65.1 | 0 | 0 | 0 | 113.7 | K24 R65 | K24-N67 WeakPolarHBondContact CD-O 3.44Å; K24-N67 WeakPolarHBondContact CE-O 3.36Å; K24-N67 PolarHBondContact NZ-O 2.75Å; R65-N67 VanDerWaalsContact C-N 3.27Å; R65-N67 WeakPolarHBondContact CD-OD1 3.22Å; R65-N67 WeakPolarHBondContact CG-OD1 3.34Å; R65-N67 PolarHBondContact NE-OD1 2.76Å; R65-N67 PolarHBondContact O-N 3.42Å; R65-N67 VanDerWaalsContact O-N 3.09Å |
| 68 | N | 98.2 | Very high | 92.8 | Very high | 44 Ų | 44 | 81.1 Ų | 81.1 | 24% | 0.235 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -91 | -16.3 | 175.4 | -64.8 | -63.8 | 0 | 0 | 0 | 113.2 | L23 K24 W25 R65 C66 | L23-N68 CarbonylContact C-O 3.59Å; L23-N68 VanDerWaalsContact CA-O 3.25Å; L23-N68 WeakPolarHBondContact CA-O 3.4Å; L23-N68 HydrophobicContact CD1-CB 4.42Å; L23-N68 HydrophobicContact CD2-CB 4.13Å; K24-N68 WeakPolarHBondContact CG-O 3.43Å; K24-N68 PolarHBondContact N-O 3.39Å; W25-N68 PolarHBondContact NE1-OD1 3.09Å; R65-N68 PolarHBondContact O-N 2.95Å; R65-N68 VanDerWaalsContact O-N 3.08Å; C66-N68 PolarHBondContact O-N 3.08Å; C66-N68 VanDerWaalsContact O-N 3.09Å |
| 69 | V | 98.2 | Very high | 90.2 | Very high | 32 Ų | 32 | 84.2 Ų | 84.2 | 19% | 0.194 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 132 | -175.1 | -179.7 | 0 | 0 | 0 | 0 | 110.2 | V21 K24 L42 I64 C66 | V21-V69 HydrophobicContact CG1-CG1 4Å; V21-V69 HydrophobicContact CG1-CG2 3.97Å; K24-V69 WeakPolarHBondContact CE-O 3.21Å; L42-V69 HydrophobicContact CD1-CG2 4.15Å; I64-V69 HydrophobicContact CG2-CG2 3.84Å; C66-V69 PolarHBondContact O-N 2.88Å; C66-V69 VanDerWaalsContact O-N 3.08Å |
| 70 | L | 98.3 | Very high | 87.8 | Confident | 105 Ų | 105 | 89.6 Ų | 89.6 | 55% | 0.55 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | -52.1 | 168 | -179.7 | 64.4 | 0 | 0 | 0 | 110.2 | K22 K24 | K22-L70 HydrophobicContact CD-CD2 4.33Å; K22-L70 HydrophobicContact CG-CD2 4.31Å; K22-L70 WeakPolarHBondContact O-CB 3.36Å; K22-L70 PolarHBondContact O-N 3.3Å; K24-L70 HydrophobicContact CG-CB 4.38Å |
| 71 | Y | 98 | Very high | 85.1 | Confident | 90 Ų | 90 | 90.9 Ų | 90.9 | 35% | 0.353 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 164.1 | 171.5 | 66.5 | -107.3 | 0 | 0 | 0 | 111.6 | V21 K22 R73 | V21-Y71 WeakPolarHBondContact CA-O 3.21Å; K22-Y71 HydrophobicContact CB-CD1 3.98Å; K22-Y71 HydrophobicContact CB-CD2 4.18Å; K22-Y71 HydrophobicContact CB-CE1 3.59Å; K22-Y71 HydrophobicContact CB-CE2 3.76Å; K22-Y71 HydrophobicContact CB-CG 4.25Å; K22-Y71 VanDerWaalsContact CB-CZ 3.45Å; K22-Y71 HydrophobicContact CD-CD1 4.46Å; K22-Y71 HydrophobicContact CD-CE1 3.52Å; K22-Y71 WeakPolarHBondContact CD-OH 2.87Å; K22-Y71 HydrophobicContact CG-CE1 4.07Å; K22-Y71 PolarHBondContact N-O 3.08Å; K22-Y71 PolarHBondContact O-N 3.09Å; Y71-R73 HydrophobicContact CE2-CG 4.31Å |
| 72 | I | 97.9 | Very high | 82.3 | Confident | 25 Ų | 25 | 92.3 Ų | 92.3 | 13% | 0.128 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 139.3 | 169.5 | 178.5 | 172 | 0 | 0 | 0 | 108.5 | F10 I11 L14 I19 I20 V21 L33 L42 | F10-I72 HydrophobicContact CE1-CG2 4.26Å; I11-I72 HydrophobicContact CG1-CG2 4.22Å; L14-I72 HydrophobicContact CD1-CD1 3.77Å; L14-I72 HydrophobicContact CD1-CG1 3.8Å; I19-I72 HydrophobicContact CB-CG1 4.43Å; I19-I72 HydrophobicContact CD1-CD1 3.45Å; I19-I72 VanDerWaalsContact CD1-CD1 3.45Å; I19-I72 HydrophobicContact CD1-CG1 3.89Å; I19-I72 HydrophobicContact CG2-CD1 4.48Å; I20-I72 WeakPolarHBondContact O-CA 3.3Å; V21-I72 HydrophobicContact CG2-CG1 4.34Å; L33-I72 HydrophobicContact CD2-CD1 4.27Å; L42-I72 HydrophobicContact CD1-CD1 4.28Å; L42-I72 HydrophobicContact CD2-CD1 4.43Å |
| 73 | R | 97.1 | Very high | 79.6 | Confident | 104 Ų | 104 | 99.7 Ų | 99.7 | 39% | 0.392 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 147.3 | 172.1 | 65.6 | 178.7 | -176.7 | 87.7 | -11.1 | 110.9 | I19 I20 Y71 | I19-R73 CarbonylContact C-O 3.57Å; I19-R73 VanDerWaalsContact CA-O 3.28Å; I19-R73 WeakPolarHBondContact CA-O 3.34Å; I19-R73 WeakPolarHBondContact CB-O 3.44Å; I20-R73 HydrophobicContact CB-CG 4.02Å; I20-R73 VanDerWaalsContact CD1-CZ 3.47Å; I20-R73 PolarHBondContact N-O 3.45Å; I20-R73 PolarHBondContact O-N 3.42Å; Y71-R73 HydrophobicContact CE2-CG 4.31Å |
| 74 | G | 96.5 | Very high | 77 | Confident | 31 Ų | 31 | 101.1 Ų | 101.1 | 32% | 0.32 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 145.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 75 | L | 93.5 | Very high | 75 | Confident | 45 Ų | 45 | 109.2 Ų | 109.2 | 24% | 0.236 | 55% | 0.55 | C | S | . | * | P | Polyproline II helix | trans | -89 | 127.8 | 156.6 | -81.3 | 156 | 0 | 0 | 0 | 106.5 | P18 I20 K30 E77 | P18-L75 HydrophobicContact CB-CB 4.02Å; P18-L75 HydrophobicContact CB-CD1 4.16Å; P18-L75 HydrophobicContact CG-CB 4.09Å; P18-L75 PolarHBondContact O-N 2.97Å; I20-L75 HydrophobicContact CD1-CD1 3.78Å; I20-L75 HydrophobicContact CD1-CD2 3.69Å; I20-L75 HydrophobicContact CD1-CG 3.82Å; I20-L75 HydrophobicContact CG1-CD1 3.7Å; I20-L75 HydrophobicContact CG1-CD2 4.44Å; I20-L75 HydrophobicContact CG1-CG 4.02Å; K30-L75 HydrophobicContact CD-CD1 3.92Å; K30-L75 HydrophobicContact CG-CD1 3.74Å; L75-E77 PolarHBondContact O-N 2.74Å |
| 76 | E | 81.1 | Confident | 73.1 | Confident | 189 Ų | 189 | 115.9 Ų | 115.9 | 88% | 0.883 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 121.9 | 161 | -70.8 | 173.2 | 179.6 | 0 | 0 | 105.8 | A78 | E76-A78 PolarHBondContact O-N 3.07Š|
| 77 | E | 62.5 | Low | 71.9 | Confident | 131 Ų | 131 | 119.7 Ų | 119.7 | 61% | 0.612 | 59% | 0.593 | S | S | * | * | trans | -58 | 114.9 | 162.5 | -72.6 | 172.5 | -174.9 | 0 | 0 | 104.8 | P18 L75 E79 | P18-E77 WeakPolarHBondContact CD-OE1 3.13Å; P18-E77 HydrophobicContact CG-CG 3.71Å; L75-E77 PolarHBondContact O-N 2.74Å; E77-E79 PolarHBondContact O-N 3.19Å | ||
| 78 | A | 50.6 | Low | 70.5 | Confident | 88 Ų | 88 | 122 Ų | 122 | 73% | 0.727 | 60% | 0.603 | S | S | * | * | trans | -56.5 | 118.5 | 164 | 0 | 0 | 0 | 0 | 0 | 104.2 | E76 E80 | E76-A78 PolarHBondContact O-N 3.07Å; A78-E80 PolarHBondContact O-N 2.99Å | ||
| 79 | E | 43.4 | Very low | 69 | Low | 186 Ų | 186 | 126.3 Ų | 126.3 | 87% | 0.869 | 62% | 0.624 | S | S | * | * | trans | -42.6 | 115.2 | 170.5 | -68.9 | 177.1 | 158.4 | 0 | 0 | 105.6 | E77 G81 | E77-E79 PolarHBondContact O-N 3.19Å; E79-G81 PolarHBondContact O-N 3.38Å | ||
| 80 | E | 46 | Very low | 67.3 | Low | 193 Ų | 193 | 131.9 Ų | 131.9 | 90% | 0.902 | 65% | 0.649 | S | S | * | * | trans | -56.9 | 97.1 | 170.2 | -80.5 | -176.4 | 160.5 | 0 | 0 | 104.2 | A78 E82 | A78-E80 PolarHBondContact O-N 2.99Å; E80-E82 PolarHBondContact O-N 2.87Å | ||
| 81 | G | 40.5 | Very low | 65.3 | Low | 57 Ų | 57 | 133.6 Ų | 133.6 | 59% | 0.588 | 66% | 0.655 | S | S | * | * | trans | -52.1 | 121 | -177.5 | 0 | 0 | 0 | 0 | 0 | 105.8 | E79 M83 | E79-G81 PolarHBondContact O-N 3.38Å; G81-M83 VanDerWaalsContact C-N 3.26Å; G81-M83 PolarHBondContact O-N 2.73Å | ||
| 82 | E | 38.9 | Very low | 63.2 | Low | 167 Ų | 167 | 136.5 Ų | 136.5 | 78% | 0.78 | 68% | 0.675 | S | S | * | * | trans | -41.8 | 98.4 | 170.2 | -67.7 | 177.9 | 153.7 | 0 | 0 | 107.2 | E80 H84 | E80-E82 PolarHBondContact O-N 2.87Å; E82-H84 PolarHBondContact O-N 3.44Å | ||
| 83 | M | 41.5 | Very low | 60.7 | Low | 181 Ų | 181 | 144.4 Ų | 144.4 | 89% | 0.892 | 71% | 0.714 | S | S | * | * | trans | -72.6 | 79.3 | 164.2 | -72.1 | -170.7 | -174.4 | 0 | 0 | 104.3 | G81 E85 | G81-M83 VanDerWaalsContact C-N 3.26Å; G81-M83 PolarHBondContact O-N 2.73Å; M83-E85 VanDerWaalsContact C-N 3.25Å; M83-E85 PolarHBondContact O-N 3.35Å | ||
| 84 | H | 43.5 | Very low | 57.9 | Low | 161 Ų | 161 | 147.5 Ų | 147.5 | 75% | 0.745 | 74% | 0.739 | S | S | * | * | trans | -59.3 | 95.6 | 158.8 | -107.6 | -82.3 | 0 | 0 | 0 | 106.3 | E82 | E82-H84 PolarHBondContact O-N 3.44Š| ||
| 85 | E | 56.1 | Low | 54.7 | Low | 179 Ų | 179 | 157.3 Ų | 157.3 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | trans | -63 | 139.1 | 160.4 | -83.5 | -175.2 | 148 | 0 | 0 | 108.8 | M83 | M83-E85 VanDerWaalsContact C-N 3.25Å; M83-E85 PolarHBondContact O-N 3.35Å | ||
| 86 | Y | 58.4 | Low | 51.1 | Low | 310 Ų | 310 | 167.5 Ų | 167.5 | 100% | 1.216 | 82% | 0.823 | S | S | * | * | trans | -53.8 | 0 | -177.3 | -71.3 | -92.8 | 0 | 0 | 0 | 114.6 |
Retrieved 86 of 86 residues in 128.1 ms
(Link to these results)