| 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 | P | 60.7 | Low | 86.6 | Confident | 134 Ų | 134 | 77.1 Ų | 77.1 | 87% | 0.87 | 47% | 0.466 | S | S | * | . | 0 | 113.4 | 0 | -0.7 | 21.4 | 0 | 0 | 0 | 109.3 | T101 | P1-T101 VanDerWaalsContact CA-O 3.25Å; P1-T101 WeakPolarHBondContact CA-O 3.25Å; P1-T101 HydrophobicContact CB-CG2 4.38Å | |||
| 2 | D | 76.1 | Confident | 87.4 | Confident | 78 Ų | 78 | 71.2 Ų | 71.2 | 42% | 0.417 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 117.2 | 176.3 | -68.2 | -30.8 | 0 | 0 | 0 | 108.6 | I10 T101 L102 T103 | D2-I10 HydrophobicContact CB-CD1 3.92Å; D2-T101 PolarHBondContact N-O 3.25Å; D2-L102 HydrophobicContact CB-CD1 4.23Å; D2-T103 PolarHBondContact O-N 3.35Å |
| 3 | L | 84.1 | Confident | 88 | Confident | 130 Ų | 130 | 71.3 Ų | 71.3 | 68% | 0.681 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 121.2 | 173.1 | -177.5 | 66.2 | 0 | 0 | 0 | 108.6 | T103 | L3-T103 WeakPolarHBondContact CA-O 3.37Å; L3-T103 HydrophobicContact CD1-CG2 3.93Å |
| 4 | V | 88.1 | Confident | 88.5 | Confident | 22 Ų | 22 | 67.6 Ų | 67.6 | 13% | 0.133 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 147.9 | -176.8 | -63.7 | 0 | 0 | 0 | 0 | 111.3 | I10 L78 L102 T103 V104 S105 | V4-I10 HydrophobicContact CG1-CD1 4.06Å; V4-L78 HydrophobicContact CB-CD1 4.35Å; V4-L78 HydrophobicContact CG2-CD1 3.67Å; V4-L102 HydrophobicContact CG1-CD1 4.01Å; V4-L102 HydrophobicContact CG2-CD1 3.72Å; V4-L102 HydrophobicContact CG2-CG 4.34Å; V4-T103 PolarHBondContact N-O 2.9Å; V4-V104 HydrophobicContact CG2-CB 4.2Å; V4-V104 HydrophobicContact CG2-CG1 4.32Å; V4-V104 HydrophobicContact CG2-CG2 3.72Å; V4-V104 WeakPolarHBondContact O-CA 3.4Å; V4-S105 PolarHBondContact O-N 2.64Å |
| 5 | N | 88.4 | Confident | 88.9 | Confident | 117 Ų | 117 | 69.4 Ų | 69.4 | 63% | 0.626 | 43% | 0.425 | S | S | * | . | trans | -76.4 | 149.5 | 176.2 | -63 | -44.9 | 0 | 0 | 0 | 110.8 | A8 | N5-A8 WeakPolarHBondContact O-CB 3.38Å; N5-A8 PolarHBondContact O-N 3.38Å | ||
| 6 | P | 89.8 | Confident | 89.1 | Confident | 68 Ų | 68 | 65.8 Ų | 65.8 | 44% | 0.442 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | 142.8 | 167.4 | -29.4 | 35.7 | 0 | 0 | 0 | 112.5 | A8 L78 V104 S105 | P6-A8 PolarHBondContact O-N 3.17Å; P6-L78 CarbonylContact C-O 3.56Å; P6-L78 WeakPolarHBondContact CA-O 3.44Å; P6-V104 HydrophobicContact CG-CG1 4.3Å; P6-S105 WeakPolarHBondContact CD-O 2.92Å; P6-S105 WeakPolarHBondContact CD-OG 3.39Å; P6-S105 WeakPolarHBondContact CG-O 3.29Å |
| 7 | G | 89.4 | Confident | 89.2 | Confident | 54 Ų | 54 | 68.2 Ų | 68.2 | 56% | 0.557 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | -9.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L78 | G7-L78 PolarHBondContact N-O 2.82Š|
| 8 | A | 92.1 | Very high | 89.3 | Confident | 34 Ų | 34 | 69.4 Ų | 69.4 | 28% | 0.281 | 45% | 0.452 | S | S | . | . | trans | -67.4 | 166 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | N5 P6 S77 L78 | N5-A8 WeakPolarHBondContact O-CB 3.38Å; N5-A8 PolarHBondContact O-N 3.38Å; P6-A8 PolarHBondContact O-N 3.17Å; A8-S77 PolarHBondContact O-N 3.22Å; A8-L78 WeakPolarHBondContact O-CB 2.98Å; A8-L78 WeakPolarHBondContact O-CG 3.33Å; A8-L78 PolarHBondContact O-N 2.96Å | ||
| 9 | S | 93.9 | Very high | 89.3 | Confident | 70 Ų | 70 | 69.7 Ų | 69.7 | 49% | 0.49 | 45% | 0.446 | S | S | . | . | trans | -118 | 143.9 | 170.2 | -57.1 | 0 | 0 | 0 | 0 | 109.5 | L75 S76 | S9-L75 CarbonylContact C-O 3.54Å; S9-L75 WeakPolarHBondContact CA-O 3Å; S9-L75 WeakPolarHBondContact CB-O 3.49Å; S9-S76 WeakPolarHBondContact OG-CA 3.29Å | ||
| 10 | I | 94.3 | Very high | 89.4 | Confident | 24 Ų | 24 | 69.7 Ų | 69.7 | 12% | 0.123 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 151.4 | 175.5 | -162.7 | 171.5 | 0 | 0 | 0 | 110.3 | D2 V4 L12 Q74 L75 L78 L102 | D2-I10 HydrophobicContact CB-CD1 3.92Å; V4-I10 HydrophobicContact CG1-CD1 4.06Å; I10-L12 HydrophobicContact CD1-CD2 4.12Å; I10-L12 HydrophobicContact CG1-CD2 4.41Å; I10-Q74 CarbonylContact O-C 3.55Å; I10-Q74 VanDerWaalsContact O-CA 3.28Å; I10-Q74 WeakPolarHBondContact O-CA 3.45Å; I10-L75 HydrophobicContact CG2-CB 4.27Å; I10-L75 HydrophobicContact CG2-CD1 4.5Å; I10-L75 PolarHBondContact N-O 2.97Å; I10-L75 PolarHBondContact O-N 2.79Å; I10-L78 HydrophobicContact CB-CD1 4.15Å; I10-L78 HydrophobicContact CG2-CD1 3.85Å; I10-L102 HydrophobicContact CD1-CD1 3.63Å; I10-L102 HydrophobicContact CG2-CD1 4.24Å; I10-L102 HydrophobicContact CG2-CD2 4.07Å |
| 11 | K | 95.7 | Very high | 89.6 | Confident | 117 Ų | 117 | 66.4 Ų | 66.4 | 51% | 0.509 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 113.4 | 172.7 | -173.6 | 179 | -179.8 | -176 | 0 | 109.4 | Y72 | K11-Y72 HydrophobicContact CD-CD1 4.38Å; K11-Y72 VanDerWaalsContact CE-CB 3.46Å; K11-Y72 HydrophobicContact CG-CD1 4.39Å |
| 12 | L | 95.8 | Very high | 91.2 | Very high | 6 Ų | 6 | 64.5 Ų | 64.5 | 3% | 0.031 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 147.4 | 173.5 | -55.1 | 179.8 | 0 | 0 | 0 | 109.7 | I10 W28 Y72 L73 Y86 T100 | I10-L12 HydrophobicContact CD1-CD2 4.12Å; I10-L12 HydrophobicContact CG1-CD2 4.41Å; L12-W28 HydrophobicContact CB-CH2 4.12Å; L12-W28 HydrophobicContact CB-CZ3 4.15Å; L12-Y72 CarbonylContact O-C 3.53Å; L12-Y72 WeakPolarHBondContact O-CA 3.48Å; L12-L73 HydrophobicContact CB-CB 4.43Å; L12-L73 HydrophobicContact CD1-CD2 4.29Å; L12-L73 PolarHBondContact N-O 3.2Å; L12-L73 PolarHBondContact O-N 2.78Å; L12-Y86 VanDerWaalsContact CD1-CB 3.5Å; L12-Y86 HydrophobicContact CD1-CD1 4.2Å; L12-Y86 HydrophobicContact CD1-CD2 4.18Å; L12-Y86 HydrophobicContact CD1-CG 3.7Å; L12-T100 HydrophobicContact CD2-CG2 3.93Å |
| 13 | S | 95.8 | Very high | 92 | Very high | 73 Ų | 73 | 67 Ų | 67 | 51% | 0.51 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 149.5 | 176.5 | 58.1 | 0 | 0 | 0 | 0 | 111.5 | A71 | S13-A71 CarbonylContact C-O 3.52Å; S13-A71 WeakPolarHBondContact CA-O 3.31Å |
| 14 | C | 94.8 | Very high | 92.4 | Very high | 20 Ų | 20 | 61.8 Ų | 61.8 | 14% | 0.135 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 103.8 | 175.5 | 176.5 | 0 | 0 | 0 | 0 | 109 | W28 T70 A71 C88 | C14-W28 HydrophobicContact CB-CH2 3.69Å; C14-W28 HydrophobicContact CB-CZ2 3.77Å; C14-T70 CarbonylContact O-C 3.59Å; C14-T70 WeakPolarHBondContact O-CA 3.25Å; C14-A71 HydrophobicContact CB-CB 4.5Å; C14-A71 PolarHBondContact N-O 2.79Å; C14-A71 PolarHBondContact O-N 2.88Å; C14-C88 HydrophobicContact CB-CB 3.48Å; C14-C88 VanDerWaalsContact CB-CB 3.48Å; C14-C88 WeakPolarHBondContact CB-SG 3.41Å; C14-C88 WeakPolarHBondContact SG-CB 3.36Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 2.79Å |
| 15 | T | 95.3 | Very high | 92.8 | Very high | 94 Ų | 94 | 64.9 Ų | 64.9 | 58% | 0.577 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 121.4 | 179.8 | -56.8 | 0 | 0 | 0 | 0 | 109.7 | T70 | T15-T70 PolarHBondContact OG1-OG1 3.32Å |
| 16 | A | 91.8 | Very high | 93.1 | Very high | 11 Ų | 11 | 59.4 Ų | 59.4 | 9% | 0.091 | 37% | 0.367 | C | S | . | . | trans | -73.3 | 136.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | F19 I21 N69 | A16-F19 HydrophobicContact CB-CD1 4.38Å; A16-F19 HydrophobicContact CB-CD2 4.13Å; A16-F19 HydrophobicContact CB-CE1 3.82Å; A16-F19 HydrophobicContact CB-CE2 3.52Å; A16-F19 HydrophobicContact CB-CZ 3.35Å; A16-I21 HydrophobicContact CB-CB 4.16Å; A16-I21 HydrophobicContact CB-CD1 4.41Å; A16-I21 HydrophobicContact CB-CG1 4.22Å; A16-N69 WeakPolarHBondContact CB-ND2 3.44Å; A16-N69 PolarHBondContact N-O 2.81Å; A16-N69 PolarHBondContact O-ND2 3.1Å | ||
| 17 | S | 91.1 | Very high | 93.4 | Very high | 108 Ų | 108 | 56.9 Ų | 56.9 | 76% | 0.755 | 35% | 0.35 | S | S | * | . | trans | -129.7 | 134.6 | 176.9 | -175.8 | 0 | 0 | 0 | 0 | 109.1 | F19 | S17-F19 VanDerWaalsContact C-N 3.29Å; S17-F19 WeakPolarHBondContact O-CD1 3.48Å; S17-F19 PolarHBondContact O-N 3Å | ||
| 18 | G | 89.5 | Confident | 93.8 | Very high | 89 Ų | 89 | 54.5 Ų | 54.5 | 92% | 0.918 | 32% | 0.324 | S | S | * | . | S | Bend | trans | 81.6 | -2.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 19 | F | 89.5 | Confident | 94 | Very high | 75 Ų | 75 | 53.2 Ų | 53.2 | 33% | 0.329 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -149.6 | 160.9 | 173.4 | 66.4 | -84.3 | 0 | 0 | 0 | 111.1 | A16 S17 T24 I26 N69 P90 | A16-F19 HydrophobicContact CB-CD1 4.38Å; A16-F19 HydrophobicContact CB-CD2 4.13Å; A16-F19 HydrophobicContact CB-CE1 3.82Å; A16-F19 HydrophobicContact CB-CE2 3.52Å; A16-F19 HydrophobicContact CB-CZ 3.35Å; S17-F19 VanDerWaalsContact C-N 3.29Å; S17-F19 WeakPolarHBondContact O-CD1 3.48Å; S17-F19 PolarHBondContact O-N 3Å; F19-T24 HydrophobicContact CD2-CG2 4.03Å; F19-T24 HydrophobicContact CE2-CG2 3.67Å; F19-I26 HydrophobicContact CE2-CD1 4.27Å; F19-N69 PolarHBondContact O-ND2 2.7Å; F19-P90 HydrophobicContact CE1-CG 4.2Å; F19-P90 HydrophobicContact CE2-CB 4.06Å; F19-P90 HydrophobicContact CE2-CG 4.48Å; F19-P90 HydrophobicContact CZ-CB 3.84Å; F19-P90 HydrophobicContact CZ-CG 3.8Å |
| 20 | N | 92.6 | Very high | 94.1 | Very high | 69 Ų | 69 | 50 Ų | 50 | 37% | 0.369 | 29% | 0.289 | S | S | . | . | trans | -87 | 125.1 | 173.6 | 178.2 | -0.2 | 0 | 0 | 0 | 109.7 | K22 D23 | N20-K22 PolarHBondContact O-N 3.45Å; N20-K22 VanDerWaalsContact O-N 3.15Å; N20-K22 PolarHBondContact OD1-N 3.21Å; N20-K22 VanDerWaalsContact OD1-N 3.08Å; N20-D23 WeakPolarHBondContact CB-OD2 3.34Å; N20-D23 PolarHBondContact O-N 2.99Å | ||
| 21 | I | 93.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -62.7 | -22.9 | -176 | -152.4 | 174.5 | 0 | 0 | 0 | 112.4 | A16 D23 I26 P45 T66 N69 A71 | A16-I21 HydrophobicContact CB-CB 4.16Å; A16-I21 HydrophobicContact CB-CD1 4.41Å; A16-I21 HydrophobicContact CB-CG1 4.22Å; I21-D23 VanDerWaalsContact C-N 3.25Å; I21-D23 PolarHBondContact O-N 2.75Å; I21-I26 HydrophobicContact CD1-CD1 4.38Å; I21-I26 HydrophobicContact CD1-CG1 3.94Å; I21-I26 HydrophobicContact CG1-CD1 3.77Å; I21-I26 HydrophobicContact CG1-CG1 3.57Å; I21-P45 HydrophobicContact CG1-CG 4.19Å; I21-P45 HydrophobicContact CG2-CB 4.29Å; I21-P45 VanDerWaalsContact O-CG 3.27Å; I21-P45 WeakPolarHBondContact O-CG 3.35Å; I21-T66 HydrophobicContact CG2-CG2 4.22Å; I21-N69 VanDerWaalsContact CB-OD1 3.24Å; I21-N69 WeakPolarHBondContact CB-OD1 3.43Å; I21-N69 WeakPolarHBondContact CG2-OD1 3.46Å; I21-N69 PolarHBondContact N-OD1 2.91Å; I21-A71 HydrophobicContact CD1-CB 3.82Å |
| 22 | K | 94.1 | Very high | 93.9 | Very high | 94 Ų | 94 | 48.7 Ų | 48.7 | 41% | 0.409 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -67.7 | -22.7 | 175.2 | -69.3 | -170 | -178.4 | -172.3 | 0 | 113.8 | N20 T24 T66 | N20-K22 PolarHBondContact O-N 3.45Å; N20-K22 VanDerWaalsContact O-N 3.15Å; N20-K22 PolarHBondContact OD1-N 3.21Å; N20-K22 VanDerWaalsContact OD1-N 3.08Å; K22-T24 VanDerWaalsContact C-N 3.28Å; K22-T24 PolarHBondContact O-N 3.08Å; K22-T66 HydrophobicContact CD-CG2 4.1Å; K22-T66 VanDerWaalsContact CE-CG2 3.47Å; K22-T66 WeakPolarHBondContact CE-OG1 3.45Å; K22-T66 HydrophobicContact CG-CG2 3.49Å; K22-T66 VanDerWaalsContact CG-CG2 3.49Å |
| 23 | D | 92.9 | Very high | 93.3 | Very high | 130 Ų | 130 | 54.3 Ų | 54.3 | 70% | 0.695 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -89.7 | 3.6 | -170.7 | -58.6 | -24.8 | 0 | 0 | 0 | 112.4 | N20 I21 | N20-D23 WeakPolarHBondContact CB-OD2 3.34Å; N20-D23 PolarHBondContact O-N 2.99Å; I21-D23 VanDerWaalsContact C-N 3.25Å; I21-D23 PolarHBondContact O-N 2.75Å |
| 24 | T | 92.8 | Very high | 92.7 | Very high | 22 Ų | 22 | 57 Ų | 57 | 14% | 0.135 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -149.4 | 169.6 | -177.2 | -169.4 | 0 | 0 | 0 | 0 | 111.7 | F19 K22 I26 P45 P90 L91 | F19-T24 HydrophobicContact CD2-CG2 4.03Å; F19-T24 HydrophobicContact CE2-CG2 3.67Å; K22-T24 VanDerWaalsContact C-N 3.28Å; K22-T24 PolarHBondContact O-N 3.08Å; T24-I26 HydrophobicContact CG2-CD1 3.82Å; T24-P45 WeakPolarHBondContact O-CD 3.45Å; T24-P90 HydrophobicContact CG2-CB 3.76Å; T24-L91 PolarHBondContact OG1-N 3.24Å; T24-L91 PolarHBondContact OG1-O 2.82Å |
| 25 | Y | 94.8 | Very high | 92.1 | Very high | 86 Ų | 86 | 60.5 Ų | 60.5 | 34% | 0.337 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -91.9 | 136.1 | 170.5 | -55.2 | -71.1 | 0 | 0 | 0 | 109.9 | R42 I43 D44 P90 L91 | Y25-R42 VanDerWaalsContact CG-NH1 3.31Å; Y25-I43 WeakPolarHBondContact CA-O 3.02Å; Y25-D44 HydrophobicContact CD1-CB 3.67Å; Y25-D44 HydrophobicContact CE1-CB 3.59Å; Y25-D44 WeakPolarHBondContact CE1-OD2 3.43Å; Y25-P90 WeakPolarHBondContact O-CA 3.36Å; Y25-L91 HydrophobicContact CD2-CD1 3.45Å; Y25-L91 VanDerWaalsContact CD2-CD1 3.45Å; Y25-L91 HydrophobicContact CE2-CD1 4.32Å; Y25-L91 HydrophobicContact CG-CD1 4.16Å; Y25-L91 PolarHBondContact O-N 3.24Å; Y25-L91 VanDerWaalsContact O-N 3.16Å |
| 26 | I | 95.9 | Very high | 91.7 | Very high | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.015 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 116.7 | 175 | -53 | -58.7 | 0 | 0 | 0 | 108.8 | F19 I21 T24 R42 I43 P45 A71 C88 P90 | F19-I26 HydrophobicContact CE2-CD1 4.27Å; I21-I26 HydrophobicContact CD1-CD1 4.38Å; I21-I26 HydrophobicContact CD1-CG1 3.94Å; I21-I26 HydrophobicContact CG1-CD1 3.77Å; I21-I26 HydrophobicContact CG1-CG1 3.57Å; T24-I26 HydrophobicContact CG2-CD1 3.82Å; I26-R42 CarbonylContact O-C 3.52Å; I26-R42 WeakPolarHBondContact O-CA 2.98Å; I26-I43 HydrophobicContact CB-CG2 4.05Å; I26-I43 PolarHBondContact N-O 2.8Å; I26-I43 PolarHBondContact O-N 2.9Å; I26-P45 HydrophobicContact CG1-CG 4.32Å; I26-A71 HydrophobicContact CB-CB 4.2Å; I26-A71 HydrophobicContact CG1-CB 4.33Å; I26-A71 HydrophobicContact CG2-CB 3.79Å; I26-C88 HydrophobicContact CG2-CB 4.28Å; I26-P90 HydrophobicContact CD1-CB 4.01Å |
| 27 | H | 96.8 | Very high | 91.8 | Very high | 15 Ų | 15 | 62.7 Ų | 62.7 | 7% | 0.069 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 144 | 177.6 | -68.6 | -110 | 0 | 0 | 0 | 110.2 | W39 G41 R42 C88 A89 F93 | H27-W39 AromaticContact CG-NE1 3.88Å; H27-W39 AromaticContact ND1-CD1 3.92Å; H27-W39 AromaticContact ND1-CE2 3.89Å; H27-W39 AromaticContact ND1-NE1 3.09Å; H27-W39 PolarHBondContact ND1-NE1 3.34Å; H27-G41 WeakPolarHBondContact CA-O 3.22Å; H27-R42 VanDerWaalsContact CE1-CD 3.43Å; H27-R42 WeakPolarHBondContact CE1-CD 3.39Å; H27-C88 CarbonylContact O-C 3.56Å; H27-C88 WeakPolarHBondContact O-CA 3.35Å; H27-A89 PolarHBondContact N-O 2.86Å; H27-A89 PolarHBondContact O-N 3.47Å; H27-F93 HydrophobicContact CB-CE1 3.64Å; H27-F93 HydrophobicContact CB-CZ 4.15Å; H27-F93 AromaticContact CD2-CE1 3.97Å; H27-F93 AromaticContact CD2-CZ 3.82Å; H27-F93 AromaticContact CE1-CZ 3.68Å; H27-F93 AromaticContact CG-CE1 3.56Å; H27-F93 AromaticContact CG-CZ 3.56Å; H27-F93 AromaticContact ND1-CE1 3.9Å; H27-F93 AromaticContact ND1-CZ 3.48Å; H27-F93 WeakPolarHBondContact ND1-CZ 3.27Å; H27-F93 AromaticContact NE2-CZ 3.94Å |
| 28 | W | 97.3 | Very high | 92 | Very high | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.015 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 135.1 | 171.6 | -73.7 | 95.3 | 0 | 0 | 0 | 110.1 | L12 C14 I40 G41 A71 L73 Y87 C88 | L12-W28 HydrophobicContact CB-CH2 4.12Å; L12-W28 HydrophobicContact CB-CZ3 4.15Å; C14-W28 HydrophobicContact CB-CH2 3.69Å; C14-W28 HydrophobicContact CB-CZ2 3.77Å; W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.25Å; W28-I40 WeakPolarHBondContact O-CB 3.37Å; W28-I40 PolarHBondContact O-N 3.1Å; W28-G41 PolarHBondContact N-O 3.02Å; W28-A71 HydrophobicContact CZ2-CB 4.38Å; W28-L73 HydrophobicContact CB-CD2 4.19Å; W28-L73 HydrophobicContact CD2-CB 3.53Å; W28-L73 HydrophobicContact CD2-CD2 3.9Å; W28-L73 HydrophobicContact CD2-CG 4.26Å; W28-L73 HydrophobicContact CE3-CB 3.74Å; W28-L73 HydrophobicContact CE3-CD2 3.65Å; W28-L73 HydrophobicContact CE3-CG 4.34Å; W28-L73 HydrophobicContact CG-CB 4.06Å; W28-L73 HydrophobicContact CG-CD2 4.15Å; W28-L73 HydrophobicContact CG-CG 4.5Å; W28-L73 HydrophobicContact CH2-CB 3.96Å; W28-L73 HydrophobicContact CZ2-CB 3.77Å; W28-L73 HydrophobicContact CZ3-CB 3.95Å; W28-L73 HydrophobicContact CZ3-CD2 4.29Å; W28-Y87 WeakPolarHBondContact CA-O 3.15Å; W28-C88 HydrophobicContact CD2-CB 4.27Å; W28-C88 HydrophobicContact CE3-CB 4.12Å; W28-C88 HydrophobicContact CH2-CB 4.17Å; W28-C88 HydrophobicContact CZ2-CB 4.3Å; W28-C88 HydrophobicContact CZ3-CB 4.08Å |
| 29 | V | 96.4 | Very high | 92.3 | Very high | 7 Ų | 7 | 58.6 Ų | 58.6 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 137.7 | -174.1 | -176.2 | 0 | 0 | 0 | 0 | 109.2 | L37 E38 Y86 Y87 W96 | V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.87Å; V29-L37 HydrophobicContact CG1-CG 4.31Å; V29-E38 CarbonylContact C-O 3.55Å; V29-E38 WeakPolarHBondContact CA-O 3.28Å; V29-E38 WeakPolarHBondContact CG1-O 3.39Å; V29-Y86 CarbonylContact O-C 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 3.36Å; V29-Y87 PolarHBondContact N-O 2.78Å; V29-Y87 PolarHBondContact O-N 3.1Å; V29-W96 HydrophobicContact CB-CH2 4.25Å; V29-W96 HydrophobicContact CB-CZ3 3.9Å; V29-W96 HydrophobicContact CG1-CH2 4.22Å; V29-W96 HydrophobicContact CG1-CZ3 4.09Å; V29-W96 HydrophobicContact CG2-CH2 3.9Å; V29-W96 HydrophobicContact CG2-CZ3 3.94Å |
| 30 | K | 95.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 55 Ų | 55 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 134.8 | 174.1 | -177.3 | -178.7 | -179.1 | 179.3 | 0 | 109.3 | E38 I40 F56 E81 D82 A84 Y86 | K30-E38 HydrophobicContact CB-CB 4.36Å; K30-E38 PolarHBondContact N-O 2.8Å; K30-E38 PolarHBondContact O-N 3.28Å; K30-I40 HydrophobicContact CB-CD1 4.03Å; K30-I40 HydrophobicContact CB-CG1 4.18Å; K30-F56 HydrophobicContact CD-CE1 4.01Å; K30-F56 HydrophobicContact CD-CZ 4.03Å; K30-E81 WeakPolarHBondContact CE-O 3.2Å; K30-E81 PolarHBondContact NZ-O 2.88Å; K30-D82 IonicContact NZ-OD1 2.7Å; K30-D82 PolarHBondContact NZ-OD1 2.89Å; K30-A84 HydrophobicContact CD-CB 4.14Å; K30-A84 HydrophobicContact CG-CB 3.48Å; K30-A84 VanDerWaalsContact CG-CB 3.48Å; K30-Y86 HydrophobicContact CB-CD1 4.28Å; K30-Y86 HydrophobicContact CB-CE1 4.03Å; K30-Y86 HydrophobicContact CD-CE1 4.08Å; K30-Y86 WeakPolarHBondContact CE-OH 3.39Å; K30-Y86 HydrophobicContact CG-CD1 4.42Å; K30-Y86 HydrophobicContact CG-CE1 3.88Å |
| 31 | Q | 94.9 | Very high | 92.9 | Very high | 72 Ų | 72 | 51.7 Ų | 51.7 | 34% | 0.336 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 115.9 | 172 | -169.4 | -179.9 | 27.2 | 0 | 0 | 109.6 | L37 A84 V85 Y87 | Q31-L37 HydrophobicContact CB-CD2 3.73Å; Q31-L37 HydrophobicContact CG-CD2 3.81Å; Q31-A84 WeakPolarHBondContact O-CA 3.35Å; Q31-A84 VanDerWaalsContact O-CB 3.25Å; Q31-A84 WeakPolarHBondContact O-CB 3.36Å; Q31-V85 PolarHBondContact N-O 3.05Å; Q31-V85 PolarHBondContact O-N 3.42Å; Q31-Y87 HydrophobicContact CB-CD2 4.31Å; Q31-Y87 HydrophobicContact CB-CE2 3.8Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.32Å; Q31-Y87 PolarHBondContact OE1-OH 2.9Å |
| 32 | R | 90.7 | Very high | 93 | Very high | 42 Ų | 42 | 54.1 Ų | 54.1 | 16% | 0.158 | 28% | 0.279 | C | S | . | . | trans | -86.9 | 151.5 | 169.9 | -62 | -170.3 | 178.2 | 109.1 | -1.8 | 110.1 | D34 Q35 E38 E81 A84 | R32-D34 PolarHBondContact O-N 2.91Å; R32-D34 VanDerWaalsContact O-N 3.17Å; R32-Q35 HydrophobicContact CB-CB 4.03Å; R32-Q35 HydrophobicContact CB-CG 4.33Å; R32-Q35 PolarHBondContact O-N 2.91Å; R32-E38 IonicContact CZ-OE2 3.73Å; R32-E38 VanDerWaalsContact CZ-OE2 3.31Å; R32-E38 IonicContact NH1-OE1 3.31Å; R32-E38 IonicContact NH1-OE2 3.45Å; R32-E38 PolarHBondContact NH1-OE2 3.04Å; R32-E38 IonicContact NH2-OE2 3.34Å; R32-E81 PolarHBondContact NE-O 3.11Å; R32-E81 PolarHBondContact NH2-O 3.03Å; R32-A84 HydrophobicContact CG-CB 4.26Å | ||
| 33 | P | 82.5 | Confident | 93.1 | Very high | 125 Ų | 125 | 49.6 Ų | 49.6 | 81% | 0.812 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -28 | -179.2 | -24.9 | 34.8 | 0 | 0 | 0 | 114.6 | ||
| 34 | D | 84.6 | Confident | 93.3 | Very high | 129 Ų | 129 | 44.3 Ų | 44.3 | 69% | 0.69 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -115 | 0.5 | -173.3 | 63.2 | -32.5 | 0 | 0 | 0 | 113.4 | R32 | R32-D34 PolarHBondContact O-N 2.91Å; R32-D34 VanDerWaalsContact O-N 3.17Å |
| 35 | Q | 82.4 | Confident | 93.4 | Very high | 93 Ų | 93 | 43.6 Ų | 43.6 | 44% | 0.435 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -130 | 161.3 | -179.9 | -53.2 | -177.4 | -13.8 | 0 | 0 | 111.3 | R32 | R32-Q35 HydrophobicContact CB-CB 4.03Å; R32-Q35 HydrophobicContact CB-CG 4.33Å; R32-Q35 PolarHBondContact O-N 2.91Å |
| 36 | G | 87.1 | Confident | 93.4 | Very high | 55 Ų | 55 | 42.3 Ų | 42.3 | 57% | 0.567 | 23% | 0.234 | S | C | * | . | trans | -65.3 | -177.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E38 | G36-E38 PolarHBondContact O-N 2.78Š| ||
| 37 | L | 92.8 | Very high | 93.4 | Very high | 96 Ų | 96 | 47.8 Ų | 47.8 | 50% | 0.503 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 126.5 | 172.6 | -64.5 | 173.4 | 0 | 0 | 0 | 110.3 | V29 Q31 W96 | V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.87Å; V29-L37 HydrophobicContact CG1-CG 4.31Å; Q31-L37 HydrophobicContact CB-CD2 3.73Å; Q31-L37 HydrophobicContact CG-CD2 3.81Å; L37-W96 HydrophobicContact CD1-CH2 4.03Å |
| 38 | E | 95.1 | Very high | 93.2 | Very high | 30 Ų | 30 | 52.3 Ų | 52.3 | 14% | 0.14 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 120.2 | 172.5 | -64.7 | -169.4 | 104 | 0 | 0 | 109.6 | V29 K30 R32 G36 K55 F56 | V29-E38 CarbonylContact C-O 3.55Å; V29-E38 WeakPolarHBondContact CA-O 3.28Å; V29-E38 WeakPolarHBondContact CG1-O 3.39Å; K30-E38 HydrophobicContact CB-CB 4.36Å; K30-E38 PolarHBondContact N-O 2.8Å; K30-E38 PolarHBondContact O-N 3.28Å; R32-E38 IonicContact CZ-OE2 3.73Å; R32-E38 VanDerWaalsContact CZ-OE2 3.31Å; R32-E38 IonicContact NH1-OE1 3.31Å; R32-E38 IonicContact NH1-OE2 3.45Å; R32-E38 PolarHBondContact NH1-OE2 3.04Å; R32-E38 IonicContact NH2-OE2 3.34Å; G36-E38 PolarHBondContact O-N 2.78Å; E38-K55 IonicContact OE1-NZ 3.78Å; E38-K55 PolarHBondContact OE1-NZ 2.85Å; E38-F56 HydrophobicContact CB-CE2 4.36Å; E38-F56 HydrophobicContact CB-CZ 4.3Å |
| 39 | W | 95.6 | Very high | 93.1 | Very high | 81 Ų | 81 | 55.6 Ų | 55.6 | 31% | 0.307 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 128.1 | 174.9 | -177.9 | 69.5 | 0 | 0 | 0 | 110 | H27 G41 R42 I51 D53 | H27-W39 AromaticContact CG-NE1 3.88Å; H27-W39 AromaticContact ND1-CD1 3.92Å; H27-W39 AromaticContact ND1-CE2 3.89Å; H27-W39 AromaticContact ND1-NE1 3.09Å; H27-W39 PolarHBondContact ND1-NE1 3.34Å; W39-G41 VanDerWaalsContact CE2-C 3.45Å; W39-G41 VanDerWaalsContact CE2-CA 3.5Å; W39-G41 PolarHBondContact NE1-O 2.94Å; W39-R42 HydrophobicContact CZ2-CB 3.98Å; W39-R42 HydrophobicContact CZ2-CG 4.01Å; W39-I51 HydrophobicContact CH2-CB 4.34Å; W39-I51 HydrophobicContact CH2-CG2 3.95Å; W39-D53 HydrophobicContact CE3-CB 3.85Å; W39-D53 HydrophobicContact CZ3-CB 4.1Å; W39-D53 VanDerWaalsContact O-CB 3.25Å; W39-D53 WeakPolarHBondContact O-CB 3.47Å |
| 40 | I | 97 | Very high | 93.2 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -44.4 | -179.7 | -63.9 | 165.7 | 0 | 0 | 0 | 110.2 | W28 K30 D53 F56 A60 L73 Y86 | W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.25Å; W28-I40 WeakPolarHBondContact O-CB 3.37Å; W28-I40 PolarHBondContact O-N 3.1Å; K30-I40 HydrophobicContact CB-CD1 4.03Å; K30-I40 HydrophobicContact CB-CG1 4.18Å; I40-D53 PolarHBondContact O-N 2.86Å; I40-F56 HydrophobicContact CB-CD2 4.35Å; I40-F56 HydrophobicContact CB-CG 4.3Å; I40-F56 HydrophobicContact CG1-CD1 4.11Å; I40-F56 HydrophobicContact CG1-CD2 4.25Å; I40-F56 HydrophobicContact CG1-CE1 4.01Å; I40-F56 HydrophobicContact CG1-CE2 4.15Å; I40-F56 HydrophobicContact CG1-CG 4.22Å; I40-F56 HydrophobicContact CG1-CZ 4.03Å; I40-F56 HydrophobicContact CG2-CB 3.91Å; I40-F56 HydrophobicContact CG2-CD1 4.23Å; I40-F56 HydrophobicContact CG2-CD2 4.45Å; I40-F56 HydrophobicContact CG2-CG 3.95Å; I40-A60 HydrophobicContact CG2-CB 3.7Å; I40-L73 HydrophobicContact CD1-CD2 3.7Å; I40-L73 HydrophobicContact CG2-CD1 4.15Å; I40-Y86 HydrophobicContact CD1-CD1 3.7Å; I40-Y86 HydrophobicContact CD1-CE1 3.79Å |
| 41 | G | 97.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.2 | 179.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | H27 W28 W39 I51 | H27-G41 WeakPolarHBondContact CA-O 3.22Å; W28-G41 PolarHBondContact N-O 3.02Å; W39-G41 VanDerWaalsContact CE2-C 3.45Å; W39-G41 VanDerWaalsContact CE2-CA 3.5Å; W39-G41 PolarHBondContact NE1-O 2.94Å; G41-I51 CarbonylContact C-O 3.6Å; G41-I51 WeakPolarHBondContact CA-O 3.41Å |
| 42 | R | 96.6 | Very high | 93.4 | Very high | 51 Ų | 51 | 60 Ų | 60 | 19% | 0.192 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 158.9 | 173.3 | 73.1 | -174.6 | -176.7 | 93 | -3.5 | 111.4 | Y25 I26 H27 W39 T50 I51 | Y25-R42 VanDerWaalsContact CG-NH1 3.31Å; I26-R42 CarbonylContact O-C 3.52Å; I26-R42 WeakPolarHBondContact O-CA 2.98Å; H27-R42 VanDerWaalsContact CE1-CD 3.43Å; H27-R42 WeakPolarHBondContact CE1-CD 3.39Å; W39-R42 HydrophobicContact CZ2-CB 3.98Å; W39-R42 HydrophobicContact CZ2-CG 4.01Å; R42-T50 WeakPolarHBondContact O-CA 3.25Å; R42-I51 HydrophobicContact CG-CB 4.28Å; R42-I51 PolarHBondContact N-O 3.34Å; R42-I51 PolarHBondContact O-N 2.93Å |
| 43 | I | 97.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 141.3 | 167.5 | -173.6 | 162.2 | 0 | 0 | 0 | 110.4 | Y25 I26 P45 N49 T50 I62 A64 | Y25-I43 WeakPolarHBondContact CA-O 3.02Å; I26-I43 HydrophobicContact CB-CG2 4.05Å; I26-I43 PolarHBondContact N-O 2.8Å; I26-I43 PolarHBondContact O-N 2.9Å; I43-P45 HydrophobicContact CG2-CG 4.32Å; I43-P45 WeakPolarHBondContact O-CD 3.32Å; I43-N49 CarbonylContact C-O 3.57Å; I43-N49 WeakPolarHBondContact CA-O 3.48Å; I43-T50 HydrophobicContact CB-CG2 3.93Å; I43-T50 HydrophobicContact CD1-CG2 3.78Å; I43-T50 HydrophobicContact CG1-CG2 3.76Å; I43-I62 HydrophobicContact CB-CG2 3.63Å; I43-I62 HydrophobicContact CD1-CG2 4.36Å; I43-I62 HydrophobicContact CG2-CG2 3.6Å; I43-A64 HydrophobicContact CD1-CB 3.86Å; I43-A64 HydrophobicContact CG2-CB 4.44Å |
| 44 | D | 96.6 | Very high | 94.2 | Very high | 19 Ų | 19 | 58.9 Ų | 58.9 | 10% | 0.102 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 104.8 | 158.6 | -173.9 | -29.1 | 0 | 0 | 0 | 108.4 | Y25 A46 I47 V48 N49 | Y25-D44 HydrophobicContact CD1-CB 3.67Å; Y25-D44 HydrophobicContact CE1-CB 3.59Å; Y25-D44 WeakPolarHBondContact CE1-OD2 3.43Å; D44-A46 PolarHBondContact O-N 2.81Å; D44-A46 VanDerWaalsContact OD1-CB 3.29Å; D44-A46 WeakPolarHBondContact OD1-CB 3.25Å; D44-A46 PolarHBondContact OD1-N 2.89Å; D44-I47 HydrophobicContact CB-CG1 3.97Å; D44-I47 PolarHBondContact OD1-N 2.82Å; D44-I47 WeakPolarHBondContact OD2-CG1 3.37Å; D44-V48 VanDerWaalsContact O-CA 3.26Å; D44-V48 WeakPolarHBondContact O-CA 3.33Å; D44-V48 PolarHBondContact O-N 3.48Å; D44-N49 HydrophobicContact CB-CB 4.24Å; D44-N49 PolarHBondContact N-O 3.45Å; D44-N49 PolarHBondContact O-N 2.58Å |
| 45 | P | 95.3 | Very high | 94.6 | Very high | 6 Ų | 6 | 59.9 Ų | 59.9 | 4% | 0.039 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -16.5 | -178.1 | -21.3 | 37.7 | 0 | 0 | 0 | 113.7 | I21 T24 I26 I43 A64 T66 | I21-P45 HydrophobicContact CG1-CG 4.19Å; I21-P45 HydrophobicContact CG2-CB 4.29Å; I21-P45 VanDerWaalsContact O-CG 3.27Å; I21-P45 WeakPolarHBondContact O-CG 3.35Å; T24-P45 WeakPolarHBondContact O-CD 3.45Å; I26-P45 HydrophobicContact CG1-CG 4.32Å; I43-P45 HydrophobicContact CG2-CG 4.32Å; I43-P45 WeakPolarHBondContact O-CD 3.32Å; P45-A64 HydrophobicContact CB-CB 3.84Å; P45-A64 HydrophobicContact CG-CB 4.01Å; P45-T66 HydrophobicContact CB-CG2 3.88Å |
| 46 | A | 94.6 | Very high | 95.2 | Very high | 60 Ų | 60 | 56 Ų | 56 | 50% | 0.496 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -38.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | D44 | D44-A46 PolarHBondContact O-N 2.81Å; D44-A46 VanDerWaalsContact OD1-CB 3.29Å; D44-A46 WeakPolarHBondContact OD1-CB 3.25Å; D44-A46 PolarHBondContact OD1-N 2.89Å |
| 47 | I | 95.1 | Very high | 95.4 | Very high | 117 Ų | 117 | 60.1 Ų | 60.1 | 60% | 0.6 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.3 | 5.5 | -177.9 | 62.5 | 166 | 0 | 0 | 0 | 113.7 | D44 N49 | D44-I47 HydrophobicContact CB-CG1 3.97Å; D44-I47 PolarHBondContact OD1-N 2.82Å; D44-I47 WeakPolarHBondContact OD2-CG1 3.37Å; I47-N49 HydrophobicContact CD1-CB 3.7Å; I47-N49 HydrophobicContact CG1-CB 3.74Å; I47-N49 PolarHBondContact O-N 2.81Å |
| 48 | V | 93.3 | Very high | 95.3 | Very high | 111 Ų | 111 | 59 Ų | 59 | 67% | 0.673 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 35.4 | 179.8 | -158.6 | 0 | 0 | 0 | 0 | 112 | D44 | D44-V48 VanDerWaalsContact O-CA 3.26Å; D44-V48 WeakPolarHBondContact O-CA 3.33Å; D44-V48 PolarHBondContact O-N 3.48Å |
| 49 | N | 95.6 | Very high | 95.3 | Very high | 73 Ų | 73 | 59.7 Ų | 59.7 | 39% | 0.39 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 130.3 | 179.5 | -178.2 | 49.3 | 0 | 0 | 0 | 110.5 | I43 D44 I47 | I43-N49 CarbonylContact C-O 3.57Å; I43-N49 WeakPolarHBondContact CA-O 3.48Å; D44-N49 HydrophobicContact CB-CB 4.24Å; D44-N49 PolarHBondContact N-O 3.45Å; D44-N49 PolarHBondContact O-N 2.58Å; I47-N49 HydrophobicContact CD1-CB 3.7Å; I47-N49 HydrophobicContact CG1-CB 3.74Å; I47-N49 PolarHBondContact O-N 2.81Å |
| 50 | T | 97.1 | Very high | 95.3 | Very high | 45 Ų | 45 | 56 Ų | 56 | 28% | 0.276 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 141.3 | -178.5 | 52.5 | 0 | 0 | 0 | 0 | 111.4 | R42 I43 Y52 I62 | R42-T50 WeakPolarHBondContact O-CA 3.25Å; I43-T50 HydrophobicContact CB-CG2 3.93Å; I43-T50 HydrophobicContact CD1-CG2 3.78Å; I43-T50 HydrophobicContact CG1-CG2 3.76Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.23Å; T50-I62 HydrophobicContact CG2-CB 4.3Å |
| 51 | I | 96.8 | Very high | 95.4 | Very high | 71 Ų | 71 | 59.2 Ų | 59.2 | 36% | 0.364 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 135.2 | 172.1 | -54.5 | -176 | 0 | 0 | 0 | 107.3 | W39 G41 R42 | W39-I51 HydrophobicContact CH2-CB 4.34Å; W39-I51 HydrophobicContact CH2-CG2 3.95Å; G41-I51 CarbonylContact C-O 3.6Å; G41-I51 WeakPolarHBondContact CA-O 3.41Å; R42-I51 HydrophobicContact CG-CB 4.28Å; R42-I51 PolarHBondContact N-O 3.34Å; R42-I51 PolarHBondContact O-N 2.93Å |
| 52 | Y | 97.5 | Very high | 95.4 | Very high | 55 Ų | 55 | 59.4 Ų | 59.4 | 22% | 0.216 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 151.5 | -179.3 | -60.3 | -88.5 | 0 | 0 | 0 | 110.3 | T50 A60 I62 | T50-Y52 WeakPolarHBondContact OG1-CE2 3.23Å; Y52-A60 HydrophobicContact CD1-CB 4.34Å; Y52-A60 HydrophobicContact CE1-CB 4.31Å; Y52-I62 HydrophobicContact CD1-CD1 4.12Å; Y52-I62 HydrophobicContact CE1-CB 4.24Å; Y52-I62 HydrophobicContact CE1-CD1 3.76Å; Y52-I62 HydrophobicContact CE1-CG1 3.8Å; Y52-I62 PolarHBondContact OH-N 3Å |
| 53 | D | 96.4 | Very high | 95.4 | Very high | 43 Ų | 43 | 59.9 Ų | 59.9 | 23% | 0.23 | 34% | 0.342 | C | S | . | . | trans | -70 | 135.5 | 157.8 | -176.9 | -67.6 | 0 | 0 | 0 | 108.6 | W39 I40 K55 F56 Q57 | W39-D53 HydrophobicContact CE3-CB 3.85Å; W39-D53 HydrophobicContact CZ3-CB 4.1Å; W39-D53 VanDerWaalsContact O-CB 3.25Å; W39-D53 WeakPolarHBondContact O-CB 3.47Å; I40-D53 PolarHBondContact O-N 2.86Å; D53-K55 PolarHBondContact O-N 3Å; D53-K55 VanDerWaalsContact OD1-CB 3.25Å; D53-K55 WeakPolarHBondContact OD1-CB 3.26Å; D53-K55 VanDerWaalsContact OD1-CG 3.31Å; D53-K55 WeakPolarHBondContact OD1-CG 3.33Å; D53-K55 PolarHBondContact OD1-N 2.84Å; D53-F56 HydrophobicContact CB-CD2 4.08Å; D53-F56 PolarHBondContact O-N 2.82Å; D53-Q57 PolarHBondContact O-N 3.04Å | ||
| 54 | P | 95.3 | Very high | 95.4 | Very high | 102 Ų | 102 | 61.3 Ų | 61.3 | 66% | 0.662 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -29.9 | -178.8 | -28.9 | 35.7 | 0 | 0 | 0 | 114.6 | F56 Q57 | P54-F56 PolarHBondContact O-N 2.86Å; P54-Q57 PolarHBondContact O-N 3.41Å |
| 55 | K | 92 | Very high | 95.4 | Very high | 149 Ų | 149 | 63 Ų | 63 | 65% | 0.648 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -28.7 | 177.7 | -66.1 | 174.3 | 175.4 | 179.5 | 0 | 113.4 | E38 D53 | E38-K55 IonicContact OE1-NZ 3.78Å; E38-K55 PolarHBondContact OE1-NZ 2.85Å; D53-K55 PolarHBondContact O-N 3Å; D53-K55 VanDerWaalsContact OD1-CB 3.25Å; D53-K55 WeakPolarHBondContact OD1-CB 3.26Å; D53-K55 VanDerWaalsContact OD1-CG 3.31Å; D53-K55 WeakPolarHBondContact OD1-CG 3.33Å; D53-K55 PolarHBondContact OD1-N 2.84Å |
| 56 | F | 94.2 | Very high | 95.3 | Very high | 12 Ų | 12 | 65 Ų | 65 | 5% | 0.053 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -3.5 | -176.4 | -63.7 | -85.1 | 0 | 0 | 0 | 112.6 | K30 E38 I40 D53 P54 G58 K59 A60 | K30-F56 HydrophobicContact CD-CE1 4.01Å; K30-F56 HydrophobicContact CD-CZ 4.03Å; E38-F56 HydrophobicContact CB-CE2 4.36Å; E38-F56 HydrophobicContact CB-CZ 4.3Å; I40-F56 HydrophobicContact CB-CD2 4.35Å; I40-F56 HydrophobicContact CB-CG 4.3Å; I40-F56 HydrophobicContact CG1-CD1 4.11Å; I40-F56 HydrophobicContact CG1-CD2 4.25Å; I40-F56 HydrophobicContact CG1-CE1 4.01Å; I40-F56 HydrophobicContact CG1-CE2 4.15Å; I40-F56 HydrophobicContact CG1-CG 4.22Å; I40-F56 HydrophobicContact CG1-CZ 4.03Å; I40-F56 HydrophobicContact CG2-CB 3.91Å; I40-F56 HydrophobicContact CG2-CD1 4.23Å; I40-F56 HydrophobicContact CG2-CD2 4.45Å; I40-F56 HydrophobicContact CG2-CG 3.95Å; D53-F56 HydrophobicContact CB-CD2 4.08Å; D53-F56 PolarHBondContact O-N 2.82Å; P54-F56 PolarHBondContact O-N 2.86Å; F56-G58 PolarHBondContact O-N 2.93Å; F56-K59 PolarHBondContact O-N 2.89Å; F56-A60 HydrophobicContact CB-CB 4.1Å; F56-A60 PolarHBondContact O-N 2.88Å |
| 57 | Q | 92.6 | Very high | 95.3 | Very high | 142 Ų | 142 | 67.3 Ų | 67.3 | 66% | 0.664 | 39% | 0.387 | S | S | * | . | B | Isolated β-bridge | trans | -62 | 126.7 | 177.2 | -166.8 | 167 | -3.7 | 0 | 0 | 110.3 | D53 P54 K59 | D53-Q57 PolarHBondContact O-N 3.04Å; P54-Q57 PolarHBondContact O-N 3.41Å; Q57-K59 VanDerWaalsContact C-N 3.26Å; Q57-K59 PolarHBondContact O-N 3.09Å |
| 58 | G | 91.1 | Very high | 95.4 | Very high | 71 Ų | 71 | 64 Ų | 64 | 73% | 0.732 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.4 | -18.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | F56 | F56-G58 PolarHBondContact O-N 2.93Š|
| 59 | K | 94.2 | Very high | 95.4 | Very high | 46 Ų | 46 | 60.4 Ų | 60.4 | 20% | 0.2 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -38.4 | 174.5 | -170.1 | 169.2 | -167.3 | 173 | 0 | 112.8 | F56 Q57 L75 S76 D82 | F56-K59 PolarHBondContact O-N 2.89Å; Q57-K59 VanDerWaalsContact C-N 3.26Å; Q57-K59 PolarHBondContact O-N 3.09Å; K59-L75 WeakPolarHBondContact O-CA 3.13Å; K59-S76 WeakPolarHBondContact CG-O 2.96Å; K59-S76 PolarHBondContact O-N 2.99Å; K59-S76 PolarHBondContact O-OG 3.07Å; K59-D82 WeakPolarHBondContact CE-OD1 3.42Å; K59-D82 WeakPolarHBondContact CE-OD2 3.38Å; K59-D82 IonicContact NZ-OD1 2.81Å; K59-D82 PolarHBondContact NZ-OD1 3.43Å; K59-D82 IonicContact NZ-OD2 2.58Å; K59-D82 PolarHBondContact NZ-OD2 2.85Å |
| 60 | A | 96.6 | Very high | 95.5 | Very high | 4 Ų | 4 | 57.3 Ų | 57.3 | 3% | 0.033 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 142.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111 | I40 Y52 F56 L73 Q74 L75 | I40-A60 HydrophobicContact CG2-CB 3.7Å; Y52-A60 HydrophobicContact CD1-CB 4.34Å; Y52-A60 HydrophobicContact CE1-CB 4.31Å; F56-A60 HydrophobicContact CB-CB 4.1Å; F56-A60 PolarHBondContact O-N 2.88Å; A60-L73 HydrophobicContact CB-CD1 3.85Å; A60-Q74 CarbonylContact C-O 3.4Å; A60-Q74 WeakPolarHBondContact CA-O 3.47Å; A60-L75 HydrophobicContact CB-CD2 4.08Å |
| 61 | T | 97.4 | Very high | 95.5 | Very high | 66 Ų | 66 | 55.1 Ų | 55.1 | 41% | 0.405 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 116.4 | 167.2 | -60.4 | 0 | 0 | 0 | 0 | 108.3 | T63 Q74 | T61-T63 HydrophobicContact CG2-CG2 4.33Å; T61-Q74 PolarHBondContact N-O 3.16Å; T61-Q74 PolarHBondContact O-N 3.3Å |
| 62 | I | 97.8 | Very high | 95.5 | Very high | 5 Ų | 5 | 54.1 Ų | 54.1 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 131.2 | 179.7 | -59.6 | 165.2 | 0 | 0 | 0 | 108.6 | I43 T50 Y52 Y72 L73 | I43-I62 HydrophobicContact CB-CG2 3.63Å; I43-I62 HydrophobicContact CD1-CG2 4.36Å; I43-I62 HydrophobicContact CG2-CG2 3.6Å; T50-I62 HydrophobicContact CG2-CB 4.3Å; Y52-I62 HydrophobicContact CD1-CD1 4.12Å; Y52-I62 HydrophobicContact CE1-CB 4.24Å; Y52-I62 HydrophobicContact CE1-CD1 3.76Å; Y52-I62 HydrophobicContact CE1-CG1 3.8Å; Y52-I62 PolarHBondContact OH-N 3Å; I62-Y72 WeakPolarHBondContact CA-O 3.32Å; I62-L73 HydrophobicContact CG1-CD1 3.85Å |
| 63 | T | 97.2 | Very high | 95.5 | Very high | 60 Ų | 60 | 51.5 Ų | 51.5 | 37% | 0.368 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 165.8 | 175.8 | 54.4 | 0 | 0 | 0 | 0 | 110.1 | T61 A71 Y72 | T61-T63 HydrophobicContact CG2-CG2 4.33Å; T63-A71 CarbonylContact O-C 3.6Å; T63-Y72 PolarHBondContact N-O 2.01Å; T63-Y72 PolarHBondContact O-N 3.27Å |
| 64 | A | 96.7 | Very high | 95.5 | Very high | 30 Ų | 30 | 53.6 Ų | 53.6 | 25% | 0.248 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 140.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | I43 P45 T70 | I43-A64 HydrophobicContact CD1-CB 3.86Å; I43-A64 HydrophobicContact CG2-CB 4.44Å; P45-A64 HydrophobicContact CB-CB 3.84Å; P45-A64 HydrophobicContact CG-CB 4.01Å; A64-T70 WeakPolarHBondContact CA-O 3.48Å |
| 65 | D | 95.6 | Very high | 95.6 | Very high | 56 Ų | 56 | 48.7 Ų | 48.7 | 30% | 0.299 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 110.7 | 168.3 | 175.6 | 10.4 | 0 | 0 | 0 | 108.6 | S67 S68 N69 T70 Y72 | D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 VanDerWaalsContact CG-OG 3.32Å; D65-S67 WeakPolarHBondContact OD1-CB 3.2Å; D65-S67 PolarHBondContact OD1-N 3.31Å; D65-S67 PolarHBondContact OD1-OG 3.36Å; D65-S67 PolarHBondContact OD2-OG 3.01Å; D65-S68 WeakPolarHBondContact CB-OG 3.48Å; D65-S68 WeakPolarHBondContact OD2-CB 3.39Å; D65-S68 PolarHBondContact OD2-OG 3.17Å; D65-N69 PolarHBondContact O-N 3.18Å; D65-N69 VanDerWaalsContact O-N 3.1Å; D65-T70 PolarHBondContact N-O 3.36Å; D65-T70 PolarHBondContact O-N 2.9Å; D65-Y72 HydrophobicContact CB-CE2 3.97Å |
| 66 | T | 94.8 | Very high | 95.7 | Very high | 47 Ų | 47 | 43.3 Ų | 43.3 | 29% | 0.288 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -15.6 | -176 | 65 | 0 | 0 | 0 | 0 | 113 | I21 K22 P45 | I21-T66 HydrophobicContact CG2-CG2 4.22Å; K22-T66 HydrophobicContact CD-CG2 4.1Å; K22-T66 VanDerWaalsContact CE-CG2 3.47Å; K22-T66 WeakPolarHBondContact CE-OG1 3.45Å; K22-T66 HydrophobicContact CG-CG2 3.49Å; K22-T66 VanDerWaalsContact CG-CG2 3.49Å; P45-T66 HydrophobicContact CB-CG2 3.88Å |
| 67 | S | 94.3 | Very high | 95.7 | Very high | 108 Ų | 108 | 46.5 Ų | 46.5 | 76% | 0.755 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -37.2 | 174.2 | 72 | 0 | 0 | 0 | 0 | 111.6 | D65 | D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 VanDerWaalsContact CG-OG 3.32Å; D65-S67 WeakPolarHBondContact OD1-CB 3.2Å; D65-S67 PolarHBondContact OD1-N 3.31Å; D65-S67 PolarHBondContact OD1-OG 3.36Å; D65-S67 PolarHBondContact OD2-OG 3.01Å |
| 68 | S | 95.8 | Very high | 95.7 | Very high | 48 Ų | 48 | 39.9 Ų | 39.9 | 34% | 0.336 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 7.5 | 175.3 | 63.4 | 0 | 0 | 0 | 0 | 113.5 | D65 T70 | D65-S68 WeakPolarHBondContact CB-OG 3.48Å; D65-S68 WeakPolarHBondContact OD2-CB 3.39Å; D65-S68 PolarHBondContact OD2-OG 3.17Å; S68-T70 PolarHBondContact O-N 3.06Å; S68-T70 VanDerWaalsContact O-N 3.16Å; S68-T70 PolarHBondContact O-OG1 3.22Å |
| 69 | N | 95.3 | Very high | 95.8 | Very high | 36 Ų | 36 | 39.1 Ų | 39.1 | 19% | 0.193 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 37.7 | -179.8 | -150.1 | 41.3 | 0 | 0 | 0 | 113.2 | A16 F19 I21 D65 | A16-N69 WeakPolarHBondContact CB-ND2 3.44Å; A16-N69 PolarHBondContact N-O 2.81Å; A16-N69 PolarHBondContact O-ND2 3.1Å; F19-N69 PolarHBondContact O-ND2 2.7Å; I21-N69 VanDerWaalsContact CB-OD1 3.24Å; I21-N69 WeakPolarHBondContact CB-OD1 3.43Å; I21-N69 WeakPolarHBondContact CG2-OD1 3.46Å; I21-N69 PolarHBondContact N-OD1 2.91Å; D65-N69 PolarHBondContact O-N 3.18Å; D65-N69 VanDerWaalsContact O-N 3.1Å |
| 70 | T | 96.6 | Very high | 95.6 | Very high | 7 Ų | 7 | 40.5 Ų | 40.5 | 4% | 0.043 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 129.6 | -168.6 | -61.6 | 0 | 0 | 0 | 0 | 111.8 | C14 T15 A64 D65 S68 Y72 | C14-T70 CarbonylContact O-C 3.59Å; C14-T70 WeakPolarHBondContact O-CA 3.25Å; T15-T70 PolarHBondContact OG1-OG1 3.32Å; A64-T70 WeakPolarHBondContact CA-O 3.48Å; D65-T70 PolarHBondContact N-O 3.36Å; D65-T70 PolarHBondContact O-N 2.9Å; S68-T70 PolarHBondContact O-N 3.06Å; S68-T70 VanDerWaalsContact O-N 3.16Å; S68-T70 PolarHBondContact O-OG1 3.22Å; T70-Y72 HydrophobicContact CG2-CD1 4.15Å; T70-Y72 HydrophobicContact CG2-CE1 3.53Å; T70-Y72 HydrophobicContact CG2-CE2 3.98Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.42Å |
| 71 | A | 96.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 152.3 | 168 | 0 | 0 | 0 | 0 | 0 | 110.5 | S13 C14 I21 I26 W28 T63 | S13-A71 CarbonylContact C-O 3.52Å; S13-A71 WeakPolarHBondContact CA-O 3.31Å; C14-A71 HydrophobicContact CB-CB 4.5Å; C14-A71 PolarHBondContact N-O 2.79Å; C14-A71 PolarHBondContact O-N 2.88Å; I21-A71 HydrophobicContact CD1-CB 3.82Å; I26-A71 HydrophobicContact CB-CB 4.2Å; I26-A71 HydrophobicContact CG1-CB 4.33Å; I26-A71 HydrophobicContact CG2-CB 3.79Å; W28-A71 HydrophobicContact CZ2-CB 4.38Å; T63-A71 CarbonylContact O-C 3.6Å |
| 72 | Y | 97.2 | Very high | 95 | Very high | 50 Ų | 50 | 43.5 Ų | 43.5 | 20% | 0.196 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 144.1 | 179.1 | -54.9 | -81.3 | 0 | 0 | 0 | 111.5 | K11 L12 I62 T63 D65 T70 | K11-Y72 HydrophobicContact CD-CD1 4.38Å; K11-Y72 VanDerWaalsContact CE-CB 3.46Å; K11-Y72 HydrophobicContact CG-CD1 4.39Å; L12-Y72 CarbonylContact O-C 3.53Å; L12-Y72 WeakPolarHBondContact O-CA 3.48Å; I62-Y72 WeakPolarHBondContact CA-O 3.32Å; T63-Y72 PolarHBondContact N-O 2.01Å; T63-Y72 PolarHBondContact O-N 3.27Å; D65-Y72 HydrophobicContact CB-CE2 3.97Å; T70-Y72 HydrophobicContact CG2-CD1 4.15Å; T70-Y72 HydrophobicContact CG2-CE1 3.53Å; T70-Y72 HydrophobicContact CG2-CE2 3.98Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.42Å |
| 73 | L | 97.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 114.2 | 169.6 | 170.3 | 67 | 0 | 0 | 0 | 108.2 | L12 W28 I40 A60 I62 L75 Y86 | L12-L73 HydrophobicContact CB-CB 4.43Å; L12-L73 HydrophobicContact CD1-CD2 4.29Å; L12-L73 PolarHBondContact N-O 3.2Å; L12-L73 PolarHBondContact O-N 2.78Å; W28-L73 HydrophobicContact CB-CD2 4.19Å; W28-L73 HydrophobicContact CD2-CB 3.53Å; W28-L73 HydrophobicContact CD2-CD2 3.9Å; W28-L73 HydrophobicContact CD2-CG 4.26Å; W28-L73 HydrophobicContact CE3-CB 3.74Å; W28-L73 HydrophobicContact CE3-CD2 3.65Å; W28-L73 HydrophobicContact CE3-CG 4.34Å; W28-L73 HydrophobicContact CG-CB 4.06Å; W28-L73 HydrophobicContact CG-CD2 4.15Å; W28-L73 HydrophobicContact CG-CG 4.5Å; W28-L73 HydrophobicContact CH2-CB 3.96Å; W28-L73 HydrophobicContact CZ2-CB 3.77Å; W28-L73 HydrophobicContact CZ3-CB 3.95Å; W28-L73 HydrophobicContact CZ3-CD2 4.29Å; I40-L73 HydrophobicContact CD1-CD2 3.7Å; I40-L73 HydrophobicContact CG2-CD1 4.15Å; A60-L73 HydrophobicContact CB-CD1 3.85Å; I62-L73 HydrophobicContact CG1-CD1 3.85Å; L73-L75 HydrophobicContact CD1-CD2 4.17Å; L73-L75 HydrophobicContact CD2-CD1 4.43Å; L73-L75 HydrophobicContact CD2-CD2 4.35Å; L73-L75 HydrophobicContact CD2-CG 4.34Å; L73-L75 HydrophobicContact CG-CD2 4.28Å; L73-L75 HydrophobicContact CG-CG 4.17Å; L73-Y86 HydrophobicContact CD2-CD1 3.97Å |
| 74 | Q | 97 | Very high | 94.6 | Very high | 86 Ų | 86 | 42.8 Ų | 42.8 | 40% | 0.402 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 128.2 | 170.3 | -177.1 | 171.7 | -2.2 | 0 | 0 | 109.4 | I10 A60 T61 | I10-Q74 CarbonylContact O-C 3.55Å; I10-Q74 VanDerWaalsContact O-CA 3.28Å; I10-Q74 WeakPolarHBondContact O-CA 3.45Å; A60-Q74 CarbonylContact C-O 3.4Å; A60-Q74 WeakPolarHBondContact CA-O 3.47Å; T61-Q74 PolarHBondContact N-O 3.16Å; T61-Q74 PolarHBondContact O-N 3.3Å |
| 75 | L | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 128.6 | 173.9 | -63.3 | 167.7 | 0 | 0 | 0 | 108.2 | S9 I10 K59 A60 L73 L78 Y86 L102 | S9-L75 CarbonylContact C-O 3.54Å; S9-L75 WeakPolarHBondContact CA-O 3Å; S9-L75 WeakPolarHBondContact CB-O 3.49Å; I10-L75 HydrophobicContact CG2-CB 4.27Å; I10-L75 HydrophobicContact CG2-CD1 4.5Å; I10-L75 PolarHBondContact N-O 2.97Å; I10-L75 PolarHBondContact O-N 2.79Å; K59-L75 WeakPolarHBondContact O-CA 3.13Å; A60-L75 HydrophobicContact CB-CD2 4.08Å; L73-L75 HydrophobicContact CD1-CD2 4.17Å; L73-L75 HydrophobicContact CD2-CD1 4.43Å; L73-L75 HydrophobicContact CD2-CD2 4.35Å; L73-L75 HydrophobicContact CD2-CG 4.34Å; L73-L75 HydrophobicContact CG-CD2 4.28Å; L73-L75 HydrophobicContact CG-CG 4.17Å; L75-L78 HydrophobicContact CB-CD2 3.7Å; L75-L78 HydrophobicContact CD1-CD2 4.3Å; L75-Y86 HydrophobicContact CD1-CD1 4.1Å; L75-Y86 HydrophobicContact CD1-CE1 3.45Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.45Å; L75-Y86 HydrophobicContact CD1-CE2 4.26Å; L75-L102 HydrophobicContact CD1-CD2 4.22Å |
| 76 | S | 94.9 | Very high | 94.6 | Very high | 35 Ų | 35 | 40.4 Ų | 40.4 | 25% | 0.245 | 24% | 0.24 | C | C | . | . | trans | -107.5 | 158.9 | 178.6 | 58.9 | 0 | 0 | 0 | 0 | 111.8 | S9 K59 L78 | S9-S76 WeakPolarHBondContact OG-CA 3.29Å; K59-S76 WeakPolarHBondContact CG-O 2.96Å; K59-S76 PolarHBondContact O-N 2.99Å; K59-S76 PolarHBondContact O-OG 3.07Å; S76-L78 VanDerWaalsContact C-N 3.35Å; S76-L78 PolarHBondContact O-N 2.95Å | ||
| 77 | S | 93.5 | Very high | 94.7 | Very high | 80 Ų | 80 | 40.3 Ų | 40.3 | 56% | 0.559 | 24% | 0.235 | S | C | * | . | S | Bend | trans | 49.7 | 53.4 | 174.3 | -57.7 | 0 | 0 | 0 | 0 | 112.7 | A8 | A8-S77 PolarHBondContact O-N 3.22Š|
| 78 | L | 93.5 | Very high | 94.7 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | trans | -61.6 | 139.7 | -173.9 | -70 | 172.1 | 0 | 0 | 0 | 112 | V4 P6 G7 A8 I10 L75 S76 D82 L102 V104 | V4-L78 HydrophobicContact CB-CD1 4.35Å; V4-L78 HydrophobicContact CG2-CD1 3.67Å; P6-L78 CarbonylContact C-O 3.56Å; P6-L78 WeakPolarHBondContact CA-O 3.44Å; G7-L78 PolarHBondContact N-O 2.82Å; A8-L78 WeakPolarHBondContact O-CB 2.98Å; A8-L78 WeakPolarHBondContact O-CG 3.33Å; A8-L78 PolarHBondContact O-N 2.96Å; I10-L78 HydrophobicContact CB-CD1 4.15Å; I10-L78 HydrophobicContact CG2-CD1 3.85Å; L75-L78 HydrophobicContact CB-CD2 3.7Å; L75-L78 HydrophobicContact CD1-CD2 4.3Å; S76-L78 VanDerWaalsContact C-N 3.35Å; S76-L78 PolarHBondContact O-N 2.95Å; L78-D82 WeakPolarHBondContact CA-OD2 3.18Å; L78-D82 HydrophobicContact CD2-CB 3.77Å; L78-L102 HydrophobicContact CD1-CD2 4.26Å; L78-L102 HydrophobicContact CD2-CD2 4.04Å; L78-V104 HydrophobicContact CB-CG1 4.28Å; L78-V104 HydrophobicContact CB-CG2 4.08Å | ||
| 79 | T | 92.5 | Very high | 94.7 | Very high | 56 Ų | 56 | 33.5 Ų | 33.5 | 34% | 0.344 | 19% | 0.187 | S | C | . | . | trans | -123.8 | 166.9 | 176.2 | 63.7 | 0 | 0 | 0 | 0 | 110.2 | E81 D82 V104 | T79-E81 PolarHBondContact O-N 2.95Å; T79-E81 VanDerWaalsContact O-N 3.08Å; T79-D82 PolarHBondContact N-OD2 2.87Å; T79-D82 WeakPolarHBondContact O-CB 3.37Å; T79-D82 PolarHBondContact O-N 2.99Å; T79-D82 PolarHBondContact OG1-OD2 2.84Å; T79-V104 WeakPolarHBondContact O-CB 3.37Å; T79-V104 VanDerWaalsContact O-CG2 3.28Å; T79-V104 WeakPolarHBondContact O-CG2 3.35Å | ||
| 80 | S | 90.1 | Very high | 94.6 | Very high | 75 Ų | 75 | 32.6 Ų | 32.6 | 52% | 0.524 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -52.8 | -31.6 | 176.2 | 53 | 0 | 0 | 0 | 0 | 112.9 | D82 T83 | S80-D82 PolarHBondContact O-N 2.83Å; S80-T83 VanDerWaalsContact O-CB 3.29Å; S80-T83 WeakPolarHBondContact O-CB 3.37Å; S80-T83 PolarHBondContact O-N 2.83Å; S80-T83 VanDerWaalsContact O-N 3.1Å; S80-T83 PolarHBondContact O-OG1 2.87Å; S80-T83 VanDerWaalsContact O-OG1 3.1Å |
| 81 | E | 89.1 | Confident | 94.1 | Very high | 129 Ų | 129 | 35.5 Ų | 35.5 | 60% | 0.603 | 20% | 0.198 | S | C | * | . | G | 310 helix | trans | -66.5 | -14.8 | 176.4 | -60.3 | -176.3 | 173.5 | 0 | 0 | 114.6 | K30 R32 T79 T83 | K30-E81 WeakPolarHBondContact CE-O 3.2Å; K30-E81 PolarHBondContact NZ-O 2.88Å; R32-E81 PolarHBondContact NE-O 3.11Å; R32-E81 PolarHBondContact NH2-O 3.03Å; T79-E81 PolarHBondContact O-N 2.95Å; T79-E81 VanDerWaalsContact O-N 3.08Å; E81-T83 VanDerWaalsContact C-N 3.3Å |
| 82 | D | 92.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -84.7 | -3.7 | 173.7 | -58.8 | -47 | 0 | 0 | 0 | 113.4 | K30 K59 L78 T79 S80 A84 Y86 V104 | K30-D82 IonicContact NZ-OD1 2.7Å; K30-D82 PolarHBondContact NZ-OD1 2.89Å; K59-D82 WeakPolarHBondContact CE-OD1 3.42Å; K59-D82 WeakPolarHBondContact CE-OD2 3.38Å; K59-D82 IonicContact NZ-OD1 2.81Å; K59-D82 PolarHBondContact NZ-OD1 3.43Å; K59-D82 IonicContact NZ-OD2 2.58Å; K59-D82 PolarHBondContact NZ-OD2 2.85Å; L78-D82 WeakPolarHBondContact CA-OD2 3.18Å; L78-D82 HydrophobicContact CD2-CB 3.77Å; T79-D82 PolarHBondContact N-OD2 2.87Å; T79-D82 WeakPolarHBondContact O-CB 3.37Å; T79-D82 PolarHBondContact O-N 2.99Å; T79-D82 PolarHBondContact OG1-OD2 2.84Å; S80-D82 PolarHBondContact O-N 2.83Å; D82-A84 PolarHBondContact O-N 3.43Å; D82-Y86 WeakPolarHBondContact O-CE2 3.28Å; D82-Y86 PolarHBondContact O-OH 3.01Å; D82-V104 HydrophobicContact CB-CG2 4.05Å |
| 83 | T | 93.5 | Very high | 92.7 | Very high | 46 Ų | 46 | 40.9 Ų | 40.9 | 28% | 0.282 | 23% | 0.231 | S | C | . | . | trans | -63.8 | 110.2 | 170.3 | -62.2 | 0 | 0 | 0 | 0 | 109.5 | S80 E81 L102 T103 V104 | S80-T83 VanDerWaalsContact O-CB 3.29Å; S80-T83 WeakPolarHBondContact O-CB 3.37Å; S80-T83 PolarHBondContact O-N 2.83Å; S80-T83 VanDerWaalsContact O-N 3.1Å; S80-T83 PolarHBondContact O-OG1 2.87Å; S80-T83 VanDerWaalsContact O-OG1 3.1Å; E81-T83 VanDerWaalsContact C-N 3.3Å; T83-L102 WeakPolarHBondContact CA-O 3.24Å; T83-T103 HydrophobicContact CG2-CG2 4.36Å; T83-V104 PolarHBondContact OG1-N 2.8Å | ||
| 84 | A | 94.8 | Very high | 91.9 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 3% | 0.033 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.5 | 170.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | K30 Q31 R32 D82 Y86 L102 | K30-A84 HydrophobicContact CD-CB 4.14Å; K30-A84 HydrophobicContact CG-CB 3.48Å; K30-A84 VanDerWaalsContact CG-CB 3.48Å; Q31-A84 WeakPolarHBondContact O-CA 3.35Å; Q31-A84 VanDerWaalsContact O-CB 3.25Å; Q31-A84 WeakPolarHBondContact O-CB 3.36Å; R32-A84 HydrophobicContact CG-CB 4.26Å; D82-A84 PolarHBondContact O-N 3.43Å; A84-Y86 HydrophobicContact CB-CD2 4.35Å; A84-Y86 HydrophobicContact CB-CE2 3.8Å; A84-L102 PolarHBondContact N-O 2.91Å; A84-L102 VanDerWaalsContact N-O 3.11Å; A84-L102 PolarHBondContact O-N 3.41Å |
| 85 | V | 95.6 | Very high | 91.2 | Very high | 33 Ų | 33 | 50.5 Ų | 50.5 | 20% | 0.2 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 129.6 | 163.4 | -168.4 | 0 | 0 | 0 | 0 | 108.8 | Q31 Y87 T100 T101 | Q31-V85 PolarHBondContact N-O 3.05Å; Q31-V85 PolarHBondContact O-N 3.42Å; V85-Y87 HydrophobicContact CB-CE2 3.74Å; V85-Y87 HydrophobicContact CG1-CD2 4.28Å; V85-Y87 HydrophobicContact CG1-CE1 4.02Å; V85-Y87 HydrophobicContact CG1-CE2 3.53Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.2Å; V85-T100 WeakPolarHBondContact CA-O 3.38Å; V85-T101 HydrophobicContact CG2-CG2 4.49Å |
| 86 | Y | 96.3 | Very high | 90.9 | Very high | 3 Ų | 3 | 55.6 Ų | 55.6 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 127.9 | -179.3 | -70.9 | -96 | 0 | 0 | 0 | 110 | L12 V29 K30 I40 L73 L75 D82 A84 G99 T100 L102 | L12-Y86 VanDerWaalsContact CD1-CB 3.5Å; L12-Y86 HydrophobicContact CD1-CD1 4.2Å; L12-Y86 HydrophobicContact CD1-CD2 4.18Å; L12-Y86 HydrophobicContact CD1-CG 3.7Å; V29-Y86 CarbonylContact O-C 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 3.36Å; K30-Y86 HydrophobicContact CB-CD1 4.28Å; K30-Y86 HydrophobicContact CB-CE1 4.03Å; K30-Y86 HydrophobicContact CD-CE1 4.08Å; K30-Y86 WeakPolarHBondContact CE-OH 3.39Å; K30-Y86 HydrophobicContact CG-CD1 4.42Å; K30-Y86 HydrophobicContact CG-CE1 3.88Å; I40-Y86 HydrophobicContact CD1-CD1 3.7Å; I40-Y86 HydrophobicContact CD1-CE1 3.79Å; L73-Y86 HydrophobicContact CD2-CD1 3.97Å; L75-Y86 HydrophobicContact CD1-CD1 4.1Å; L75-Y86 HydrophobicContact CD1-CE1 3.45Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.45Å; L75-Y86 HydrophobicContact CD1-CE2 4.26Å; D82-Y86 WeakPolarHBondContact O-CE2 3.28Å; D82-Y86 PolarHBondContact O-OH 3.01Å; A84-Y86 HydrophobicContact CB-CD2 4.35Å; A84-Y86 HydrophobicContact CB-CE2 3.8Å; Y86-G99 CarbonylContact O-C 3.52Å; Y86-G99 VanDerWaalsContact O-CA 3.26Å; Y86-G99 WeakPolarHBondContact O-CA 3.26Å; Y86-T100 PolarHBondContact N-O 2.63Å; Y86-T100 PolarHBondContact O-N 3.15Å; Y86-L102 HydrophobicContact CD2-CB 3.93Å; Y86-L102 HydrophobicContact CD2-CD2 4.4Å; Y86-L102 HydrophobicContact CE2-CB 3.77Å; Y86-L102 HydrophobicContact CE2-CD2 3.73Å; Y86-L102 HydrophobicContact CE2-CG 4.38Å |
| 87 | Y | 96 | Very high | 90.7 | Very high | 45 Ų | 45 | 55.1 Ų | 55.1 | 18% | 0.176 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 150.3 | -178.4 | -61.6 | -85.9 | 0 | 0 | 0 | 111 | W28 V29 Q31 V85 W96 G97 G99 | W28-Y87 WeakPolarHBondContact CA-O 3.15Å; V29-Y87 PolarHBondContact N-O 2.78Å; V29-Y87 PolarHBondContact O-N 3.1Å; Q31-Y87 HydrophobicContact CB-CD2 4.31Å; Q31-Y87 HydrophobicContact CB-CE2 3.8Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.32Å; Q31-Y87 PolarHBondContact OE1-OH 2.9Å; V85-Y87 HydrophobicContact CB-CE2 3.74Å; V85-Y87 HydrophobicContact CG1-CD2 4.28Å; V85-Y87 HydrophobicContact CG1-CE1 4.02Å; V85-Y87 HydrophobicContact CG1-CE2 3.53Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.2Å; Y87-W96 HydrophobicContact CD1-CE3 4.3Å; Y87-W96 AromaticContact CG-CE3 3.96Å; Y87-W96 HydrophobicContact CG-CE3 3.96Å; Y87-W96 HydrophobicContact CG-CZ3 4.27Å; Y87-G97 WeakPolarHBondContact CD1-O 3.44Å; Y87-G99 VanDerWaalsContact CD1-CA 3.44Å; Y87-G99 VanDerWaalsContact CE1-CA 3.48Å |
| 88 | C | 95.6 | Very high | 90.5 | Very high | 12 Ų | 12 | 60.4 Ų | 60.4 | 8% | 0.081 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 147.6 | 162.7 | 61.6 | 0 | 0 | 0 | 0 | 109.8 | C14 I26 H27 W28 G97 | C14-C88 HydrophobicContact CB-CB 3.48Å; C14-C88 VanDerWaalsContact CB-CB 3.48Å; C14-C88 WeakPolarHBondContact CB-SG 3.41Å; C14-C88 WeakPolarHBondContact SG-CB 3.36Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 2.79Å; I26-C88 HydrophobicContact CG2-CB 4.28Å; H27-C88 CarbonylContact O-C 3.56Å; H27-C88 WeakPolarHBondContact O-CA 3.35Å; W28-C88 HydrophobicContact CD2-CB 4.27Å; W28-C88 HydrophobicContact CE3-CB 4.12Å; W28-C88 HydrophobicContact CH2-CB 4.17Å; W28-C88 HydrophobicContact CZ2-CB 4.3Å; W28-C88 HydrophobicContact CZ3-CB 4.08Å; C88-G97 PolarHBondContact O-N 2.91Å |
| 89 | A | 94.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 129.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | H27 F93 Y95 W96 | H27-A89 PolarHBondContact N-O 2.86Å; H27-A89 PolarHBondContact O-N 3.47Å; A89-F93 HydrophobicContact CB-CD1 3.69Å; A89-F93 HydrophobicContact CB-CE1 4.25Å; A89-Y95 WeakPolarHBondContact CB-O 3.16Å; A89-W96 HydrophobicContact CB-CD2 4.09Å; A89-W96 HydrophobicContact CB-CE3 4.35Å; A89-W96 HydrophobicContact CB-CG 4.41Å |
| 90 | P | 93.1 | Very high | 90.5 | Very high | 17 Ų | 17 | 61.3 Ų | 61.3 | 11% | 0.11 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 153.1 | 166.5 | 32 | -35.4 | 0 | 0 | 0 | 111 | F19 T24 Y25 I26 F93 Y95 | F19-P90 HydrophobicContact CE1-CG 4.2Å; F19-P90 HydrophobicContact CE2-CB 4.06Å; F19-P90 HydrophobicContact CE2-CG 4.48Å; F19-P90 HydrophobicContact CZ-CB 3.84Å; F19-P90 HydrophobicContact CZ-CG 3.8Å; T24-P90 HydrophobicContact CG2-CB 3.76Å; Y25-P90 WeakPolarHBondContact O-CA 3.36Å; I26-P90 HydrophobicContact CD1-CB 4.01Å; P90-F93 WeakPolarHBondContact O-CA 3.35Å; P90-F93 PolarHBondContact O-N 3.26Å; P90-Y95 WeakPolarHBondContact CD-O 3.49Å |
| 91 | L | 86.2 | Confident | 90.7 | Very high | 69 Ų | 69 | 60.7 Ų | 60.7 | 36% | 0.361 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | 139.9 | 164.9 | -88.8 | 171.7 | 0 | 0 | 0 | 110.3 | T24 Y25 F93 | T24-L91 PolarHBondContact OG1-N 3.24Å; T24-L91 PolarHBondContact OG1-O 2.82Å; Y25-L91 HydrophobicContact CD2-CD1 3.45Å; Y25-L91 VanDerWaalsContact CD2-CD1 3.45Å; Y25-L91 HydrophobicContact CE2-CD1 4.32Å; Y25-L91 HydrophobicContact CG-CD1 4.16Å; Y25-L91 PolarHBondContact O-N 3.24Å; Y25-L91 VanDerWaalsContact O-N 3.16Å; L91-F93 HydrophobicContact CD2-CD2 3.61Å; L91-F93 HydrophobicContact CD2-CE2 3.3Å; L91-F93 HydrophobicContact CD2-CZ 4.05Å; L91-F93 HydrophobicContact CG-CE2 4.25Å |
| 92 | P | 83.4 | Confident | 90.8 | Very high | 87 Ų | 87 | 54.5 Ų | 54.5 | 57% | 0.565 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -93.1 | 27.6 | 12.3 | 38.8 | -38.4 | 0 | 0 | 0 | 116.4 | D94 | P92-D94 VanDerWaalsContact C-N 3.35Å; P92-D94 VanDerWaalsContact CG-OD2 3.23Å; P92-D94 WeakPolarHBondContact CG-OD2 3.46Å |
| 93 | F | 81.8 | Confident | 90.8 | Very high | 75 Ų | 75 | 56.7 Ų | 56.7 | 33% | 0.329 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 74 | 13.9 | -175.5 | -52.7 | -82.2 | 0 | 0 | 0 | 116.1 | H27 A89 P90 L91 Y95 W96 | H27-F93 HydrophobicContact CB-CE1 3.64Å; H27-F93 HydrophobicContact CB-CZ 4.15Å; H27-F93 AromaticContact CD2-CE1 3.97Å; H27-F93 AromaticContact CD2-CZ 3.82Å; H27-F93 AromaticContact CE1-CZ 3.68Å; H27-F93 AromaticContact CG-CE1 3.56Å; H27-F93 AromaticContact CG-CZ 3.56Å; H27-F93 AromaticContact ND1-CE1 3.9Å; H27-F93 AromaticContact ND1-CZ 3.48Å; H27-F93 WeakPolarHBondContact ND1-CZ 3.27Å; H27-F93 AromaticContact NE2-CZ 3.94Å; A89-F93 HydrophobicContact CB-CD1 3.69Å; A89-F93 HydrophobicContact CB-CE1 4.25Å; P90-F93 WeakPolarHBondContact O-CA 3.35Å; P90-F93 PolarHBondContact O-N 3.26Å; L91-F93 HydrophobicContact CD2-CD2 3.61Å; L91-F93 HydrophobicContact CD2-CE2 3.3Å; L91-F93 HydrophobicContact CD2-CZ 4.05Å; L91-F93 HydrophobicContact CG-CE2 4.25Å; F93-Y95 PolarHBondContact O-N 2.79Å; F93-W96 HydrophobicContact CD1-CZ2 4.24Å; F93-W96 PolarHBondContact O-NE1 3.16Å; F93-W96 VanDerWaalsContact O-NE1 3.1Å |
| 94 | D | 80.9 | Confident | 90.5 | Very high | 119 Ų | 119 | 54.9 Ų | 54.9 | 64% | 0.636 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -65.8 | -22 | 174.1 | -64.3 | -22.3 | 0 | 0 | 0 | 112.4 | P92 | P92-D94 VanDerWaalsContact C-N 3.35Å; P92-D94 VanDerWaalsContact CG-OD2 3.23Å; P92-D94 WeakPolarHBondContact CG-OD2 3.46Å |
| 95 | Y | 82.1 | Confident | 90 | Very high | 169 Ų | 169 | 56.5 Ų | 56.5 | 66% | 0.663 | 30% | 0.299 | S | S | * | . | trans | -125.4 | 137 | -179.3 | -57.2 | -79.8 | 0 | 0 | 0 | 110.6 | A89 P90 F93 | A89-Y95 WeakPolarHBondContact CB-O 3.16Å; P90-Y95 WeakPolarHBondContact CD-O 3.49Å; F93-Y95 PolarHBondContact O-N 2.79Å | ||
| 96 | W | 89.9 | Confident | 88.8 | Confident | 107 Ų | 107 | 62.8 Ų | 62.8 | 41% | 0.405 | 34% | 0.344 | S | S | . | . | trans | -121.5 | 141.2 | 174.4 | -70.9 | 68.7 | 0 | 0 | 0 | 109 | V29 L37 Y87 A89 F93 | V29-W96 HydrophobicContact CB-CH2 4.25Å; V29-W96 HydrophobicContact CB-CZ3 3.9Å; V29-W96 HydrophobicContact CG1-CH2 4.22Å; V29-W96 HydrophobicContact CG1-CZ3 4.09Å; V29-W96 HydrophobicContact CG2-CH2 3.9Å; V29-W96 HydrophobicContact CG2-CZ3 3.94Å; L37-W96 HydrophobicContact CD1-CH2 4.03Å; Y87-W96 HydrophobicContact CD1-CE3 4.3Å; Y87-W96 AromaticContact CG-CE3 3.96Å; Y87-W96 HydrophobicContact CG-CE3 3.96Å; Y87-W96 HydrophobicContact CG-CZ3 4.27Å; A89-W96 HydrophobicContact CB-CD2 4.09Å; A89-W96 HydrophobicContact CB-CE3 4.35Å; A89-W96 HydrophobicContact CB-CG 4.41Å; F93-W96 HydrophobicContact CD1-CZ2 4.24Å; F93-W96 PolarHBondContact O-NE1 3.16Å; F93-W96 VanDerWaalsContact O-NE1 3.1Å | ||
| 97 | G | 89 | Confident | 88.4 | Confident | 26 Ų | 26 | 65.8 Ų | 65.8 | 27% | 0.268 | 36% | 0.361 | S | S | . | . | trans | -59.5 | 160.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y87 C88 G99 | Y87-G97 WeakPolarHBondContact CD1-O 3.44Å; C88-G97 PolarHBondContact O-N 2.91Å; G97-G99 PolarHBondContact O-N 3.1Å | ||
| 98 | Q | 90.5 | Very high | 88 | Confident | 191 Ų | 191 | 66.9 Ų | 66.9 | 89% | 0.893 | 37% | 0.371 | S | S | * | . | trans | -58.8 | -19.2 | 179.4 | -67.1 | -64.7 | -39 | 0 | 0 | 113.5 | ||||
| 99 | G | 91.9 | Very high | 87.6 | Confident | 26 Ų | 26 | 69.9 Ų | 69.9 | 27% | 0.268 | 39% | 0.387 | S | S | . | . | trans | 83.6 | 144.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y86 Y87 G97 | Y86-G99 CarbonylContact O-C 3.52Å; Y86-G99 VanDerWaalsContact O-CA 3.26Å; Y86-G99 WeakPolarHBondContact O-CA 3.26Å; Y87-G99 VanDerWaalsContact CD1-CA 3.44Å; Y87-G99 VanDerWaalsContact CE1-CA 3.48Å; G97-G99 PolarHBondContact O-N 3.1Å | ||
| 100 | T | 93.6 | Very high | 87.2 | Confident | 50 Ų | 50 | 74.1 Ų | 74.1 | 31% | 0.307 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 117.9 | 174.9 | -56.9 | 0 | 0 | 0 | 0 | 109.1 | L12 V85 Y86 L102 | L12-T100 HydrophobicContact CD2-CG2 3.93Å; V85-T100 WeakPolarHBondContact CA-O 3.38Å; Y86-T100 PolarHBondContact N-O 2.63Å; Y86-T100 PolarHBondContact O-N 3.15Å; T100-L102 PolarHBondContact O-N 3.08Å |
| 101 | T | 94.2 | Very high | 86.8 | Confident | 62 Ų | 62 | 77.6 Ų | 77.6 | 38% | 0.38 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 118.5 | 173.1 | -48.4 | 0 | 0 | 0 | 0 | 109.9 | P1 D2 V85 | P1-T101 VanDerWaalsContact CA-O 3.25Å; P1-T101 WeakPolarHBondContact CA-O 3.25Å; P1-T101 HydrophobicContact CB-CG2 4.38Å; D2-T101 PolarHBondContact N-O 3.25Å; V85-T101 HydrophobicContact CG2-CG2 4.49Å |
| 102 | L | 91.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 78.2 Ų | 78.2 | 0% | 0 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 130.7 | 171.6 | -175.9 | 63.7 | 0 | 0 | 0 | 108.9 | D2 V4 I10 L75 L78 T83 A84 Y86 T100 V104 | D2-L102 HydrophobicContact CB-CD1 4.23Å; V4-L102 HydrophobicContact CG1-CD1 4.01Å; V4-L102 HydrophobicContact CG2-CD1 3.72Å; V4-L102 HydrophobicContact CG2-CG 4.34Å; I10-L102 HydrophobicContact CD1-CD1 3.63Å; I10-L102 HydrophobicContact CG2-CD1 4.24Å; I10-L102 HydrophobicContact CG2-CD2 4.07Å; L75-L102 HydrophobicContact CD1-CD2 4.22Å; L78-L102 HydrophobicContact CD1-CD2 4.26Å; L78-L102 HydrophobicContact CD2-CD2 4.04Å; T83-L102 WeakPolarHBondContact CA-O 3.24Å; A84-L102 PolarHBondContact N-O 2.91Å; A84-L102 VanDerWaalsContact N-O 3.11Å; A84-L102 PolarHBondContact O-N 3.41Å; Y86-L102 HydrophobicContact CD2-CB 3.93Å; Y86-L102 HydrophobicContact CD2-CD2 4.4Å; Y86-L102 HydrophobicContact CE2-CB 3.77Å; Y86-L102 HydrophobicContact CE2-CD2 3.73Å; Y86-L102 HydrophobicContact CE2-CG 4.38Å; T100-L102 PolarHBondContact O-N 3.08Å; L102-V104 HydrophobicContact CG-CG2 4.47Å |
| 103 | T | 91.7 | Very high | 87.1 | Confident | 50 Ų | 50 | 77.6 Ų | 77.6 | 31% | 0.307 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 118.2 | 173.9 | -57.2 | 0 | 0 | 0 | 0 | 108.9 | D2 L3 V4 T83 | D2-T103 PolarHBondContact O-N 3.35Å; L3-T103 WeakPolarHBondContact CA-O 3.37Å; L3-T103 HydrophobicContact CD1-CG2 3.93Å; V4-T103 PolarHBondContact N-O 2.9Å; T83-T103 HydrophobicContact CG2-CG2 4.36Å |
| 104 | V | 88.1 | Confident | 87.5 | Confident | 8 Ų | 8 | 77.8 Ų | 77.8 | 5% | 0.048 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 121 | 174.8 | -169.5 | 0 | 0 | 0 | 0 | 107.8 | V4 P6 L78 T79 D82 T83 L102 | V4-V104 HydrophobicContact CG2-CB 4.2Å; V4-V104 HydrophobicContact CG2-CG1 4.32Å; V4-V104 HydrophobicContact CG2-CG2 3.72Å; V4-V104 WeakPolarHBondContact O-CA 3.4Å; P6-V104 HydrophobicContact CG-CG1 4.3Å; L78-V104 HydrophobicContact CB-CG1 4.28Å; L78-V104 HydrophobicContact CB-CG2 4.08Å; T79-V104 WeakPolarHBondContact O-CB 3.37Å; T79-V104 VanDerWaalsContact O-CG2 3.28Å; T79-V104 WeakPolarHBondContact O-CG2 3.35Å; D82-V104 HydrophobicContact CB-CG2 4.05Å; T83-V104 PolarHBondContact OG1-N 2.8Å; L102-V104 HydrophobicContact CG-CG2 4.47Å |
| 105 | S | 84.3 | Confident | 88.1 | Confident | 38 Ų | 38 | 74.3 Ų | 74.3 | 27% | 0.266 | 41% | 0.413 | S | S | . | . | trans | -63.3 | 146.4 | 177.8 | 62.8 | 0 | 0 | 0 | 0 | 110.4 | V4 P6 | V4-S105 PolarHBondContact O-N 2.64Å; P6-S105 WeakPolarHBondContact CD-O 2.92Å; P6-S105 WeakPolarHBondContact CD-OG 3.39Å; P6-S105 WeakPolarHBondContact CG-O 3.29Å | ||
| 106 | S | 69.5 | Low | 88.6 | Confident | 165 Ų | 165 | 65.7 Ų | 65.7 | 100% | 1.154 | 39% | 0.391 | S | S | * | . | trans | -79 | 0 | 174.5 | 57.8 | 0 | 0 | 0 | 0 | 112.5 |
Retrieved 106 of 106 residues in 21.9 ms
(Link to these results)