| 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 | R | 86.4 | Confident | 94.5 | Very high | 259 Ų | 259 | 93 Ų | 93 | 98% | 0.977 | 50% | 0.495 | S | S | * | . | 0 | 134.5 | 0 | -73.3 | -176.4 | -176.7 | -88.7 | 0 | 105.7 | T50 | R1-T50 WeakPolarHBondContact O-CB 3.31Å; R1-T50 VanDerWaalsContact O-CG2 3.26Å; R1-T50 WeakPolarHBondContact O-CG2 3.31Å; R1-T50 PolarHBondContact O-OG1 3.35Å | |||
| 2 | E | 92.1 | Very high | 94.6 | Very high | 136 Ų | 136 | 86.8 Ų | 86.8 | 64% | 0.636 | 47% | 0.47 | S | S | * | . | trans | -98.5 | 145.6 | -170.1 | -58.9 | 86.4 | 156.2 | 0 | 0 | 110.6 | ||||
| 3 | C | 94.8 | Very high | 94.6 | Very high | 59 Ų | 59 | 80.2 Ų | 80.2 | 40% | 0.399 | 43% | 0.434 | S | S | . | . | trans | -120.2 | 139.4 | 173.3 | -70.3 | 0 | 0 | 0 | 0 | 109.4 | T50 F51 R63 | C3-T50 HydrophobicContact CB-CG2 3.94Å; C3-T50 PolarHBondContact N-O 3.35Å; C3-F51 HydrophobicContact CB-CD1 4.11Å; C3-F51 HydrophobicContact CB-CE1 3.84Å; C3-R63 VanDerWaalsContact O-CB 3.3Å; C3-R63 WeakPolarHBondContact O-CB 3.35Å | ||
| 4 | I | 96.1 | Very high | 94.5 | Very high | 125 Ų | 125 | 81.9 Ų | 81.9 | 64% | 0.641 | 44% | 0.438 | S | S | * | . | trans | -112.9 | 120.4 | 172.9 | -59 | 176.5 | 0 | 0 | 0 | 107.6 | V6 R63 V65 | I4-V6 HydrophobicContact CG2-CG2 4.21Å; I4-R63 WeakPolarHBondContact CA-O 3.48Å; I4-V65 HydrophobicContact CG2-CG2 4.44Å | ||
| 5 | S | 97.5 | Very high | 94.6 | Very high | 30 Ų | 30 | 84.9 Ų | 84.9 | 21% | 0.21 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 125.8 | 173.8 | -60.6 | 0 | 0 | 0 | 0 | 109.7 | R63 A64 V65 | S5-R63 PolarHBondContact N-O 3.02Å; S5-A64 CarbonylContact O-C 3.54Å; S5-A64 VanDerWaalsContact O-CA 3.26Å; S5-A64 WeakPolarHBondContact O-CA 3.45Å; S5-V65 PolarHBondContact O-N 3.15Å |
| 6 | V | 97.6 | Very high | 94.7 | Very high | 90 Ų | 90 | 79.6 Ų | 79.6 | 55% | 0.545 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 118.5 | 176.5 | -174.4 | 0 | 0 | 0 | 0 | 108.8 | I4 V8 V65 | I4-V6 HydrophobicContact CG2-CG2 4.21Å; V6-V8 HydrophobicContact CG1-CG2 3.87Å; V6-V65 WeakPolarHBondContact CA-O 3.39Å |
| 7 | H | 96.9 | Very high | 94.7 | Very high | 33 Ų | 33 | 78.7 Ų | 78.7 | 15% | 0.153 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 116.7 | -176.6 | -62.9 | -67.8 | 0 | 0 | 0 | 109 | G16 W20 V65 F66 V67 | H7-G16 VanDerWaalsContact CE1-CA 3.41Å; H7-G16 WeakPolarHBondContact CE1-CA 3.49Å; H7-W20 AromaticContact CD2-NE1 3.95Å; H7-W20 AromaticContact NE2-CD1 3.84Å; H7-W20 AromaticContact NE2-NE1 3.38Å; H7-W20 PolarHBondContact NE2-NE1 2.9Å; H7-V65 PolarHBondContact N-O 3.47Å; H7-F66 HydrophobicContact CB-CD1 3.68Å; H7-F66 HydrophobicContact CB-CE1 3.98Å; H7-F66 HydrophobicContact CB-CG 4.36Å; H7-F66 AromaticContact CD2-CE1 3.62Å; H7-F66 AromaticContact CD2-CZ 3.75Å; H7-F66 AromaticContact CG-CE1 3.98Å; H7-F66 WeakPolarHBondContact O-CA 3.34Å; H7-V67 PolarHBondContact O-N 3.07Å |
| 8 | V | 96.1 | Very high | 94.8 | Very high | 97 Ų | 97 | 77.6 Ų | 77.6 | 59% | 0.588 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 132.5 | -170.9 | -173 | 0 | 0 | 0 | 0 | 111.7 | V6 V67 | V6-V8 HydrophobicContact CG1-CG2 3.87Å; V8-V67 CarbonylContact C-O 3.52Å; V8-V67 WeakPolarHBondContact CA-O 3.3Å; V8-V67 HydrophobicContact CG2-CB 4.46Å |
| 9 | G | 95.1 | Very high | 94.9 | Very high | 25 Ų | 25 | 76.6 Ų | 76.6 | 26% | 0.258 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | 72.6 | 165.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A11 G12 V13 V67 | G9-A11 VanDerWaalsContact C-N 3.32Å; G9-A11 PolarHBondContact O-N 3.21Å; G9-A11 VanDerWaalsContact O-N 3.15Å; G9-G12 PolarHBondContact O-N 3.45Å; G9-V13 WeakPolarHBondContact O-CG2 3.46Å; G9-V13 PolarHBondContact O-N 2.87Å; G9-V67 PolarHBondContact N-O 3.49Å |
| 10 | Q | 92.4 | Very high | 94.9 | Very high | 100 Ų | 100 | 73.6 Ų | 73.6 | 47% | 0.467 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -45.2 | -50.6 | -174.9 | 172.3 | 168.8 | -11.7 | 0 | 0 | 114.3 | V13 Q14 D68 V73 | Q10-V13 PolarHBondContact O-N 2.84Å; Q10-Q14 WeakPolarHBondContact O-CG 3.43Å; Q10-Q14 PolarHBondContact O-N 3.17Å; Q10-D68 WeakPolarHBondContact CA-OD2 3.44Å; Q10-D68 PolarHBondContact N-OD2 3.01Å; Q10-V73 HydrophobicContact CB-CG2 3.95Å; Q10-V73 HydrophobicContact CG-CG1 4.25Å; Q10-V73 HydrophobicContact CG-CG2 3.66Å |
| 11 | A | 94.1 | Very high | 94.9 | Very high | 69 Ų | 69 | 77.3 Ų | 77.3 | 57% | 0.57 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -65.4 | -43.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G9 Q14 M15 | G9-A11 VanDerWaalsContact C-N 3.32Å; G9-A11 PolarHBondContact O-N 3.21Å; G9-A11 VanDerWaalsContact O-N 3.15Å; A11-Q14 PolarHBondContact O-N 3.31Å; A11-M15 WeakPolarHBondContact O-CB 3.46Å; A11-M15 VanDerWaalsContact O-CG 3.3Å; A11-M15 WeakPolarHBondContact O-CG 3.39Å; A11-M15 PolarHBondContact O-N 2.93Å |
| 12 | G | 95.7 | Very high | 95.3 | Very high | 19 Ų | 19 | 69 Ų | 69 | 20% | 0.196 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G9 M15 G16 | G9-G12 PolarHBondContact O-N 3.45Å; G12-M15 PolarHBondContact O-N 2.93Å; G12-G16 PolarHBondContact O-N 2.72Å |
| 13 | V | 95.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.8 | -46.7 | 178 | 174.3 | 0 | 0 | 0 | 0 | 111.5 | G9 Q10 M15 G16 N17 F66 D68 V73 | G9-V13 WeakPolarHBondContact O-CG2 3.46Å; G9-V13 PolarHBondContact O-N 2.87Å; Q10-V13 PolarHBondContact O-N 2.84Å; V13-M15 PolarHBondContact O-N 3.33Å; V13-G16 PolarHBondContact O-N 3.45Å; V13-N17 PolarHBondContact O-N 3.29Å; V13-F66 HydrophobicContact CB-CD1 4.17Å; V13-F66 HydrophobicContact CG1-CD1 3.86Å; V13-F66 HydrophobicContact CG1-CE1 4.47Å; V13-F66 HydrophobicContact CG2-CB 4.34Å; V13-F66 HydrophobicContact CG2-CD1 4.11Å; V13-D68 HydrophobicContact CG2-CB 4.4Å; V13-V73 HydrophobicContact CB-CG1 3.93Å; V13-V73 HydrophobicContact CG1-CG1 3.76Å |
| 14 | Q | 93.8 | Very high | 95.2 | Very high | 104 Ų | 104 | 64.7 Ų | 64.7 | 49% | 0.486 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 179.1 | -70.4 | -177.3 | 34.6 | 0 | 0 | 112.2 | Q10 A11 N17 A18 V73 | Q10-Q14 WeakPolarHBondContact O-CG 3.43Å; Q10-Q14 PolarHBondContact O-N 3.17Å; A11-Q14 PolarHBondContact O-N 3.31Å; Q14-N17 PolarHBondContact O-N 3.43Å; Q14-A18 PolarHBondContact O-N 2.79Å; Q14-V73 HydrophobicContact CG-CG1 3.7Å |
| 15 | M | 95.9 | Very high | 94.9 | Very high | 128 Ų | 128 | 65.2 Ų | 65.2 | 63% | 0.631 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.5 | -43.5 | 174 | -72.4 | -178.1 | 65 | 0 | 0 | 111.3 | A11 G12 V13 N17 A18 C19 | A11-M15 WeakPolarHBondContact O-CB 3.46Å; A11-M15 VanDerWaalsContact O-CG 3.3Å; A11-M15 WeakPolarHBondContact O-CG 3.39Å; A11-M15 PolarHBondContact O-N 2.93Å; G12-M15 PolarHBondContact O-N 2.93Å; V13-M15 PolarHBondContact O-N 3.33Å; M15-N17 VanDerWaalsContact C-N 3.33Å; M15-N17 PolarHBondContact O-N 3.17Å; M15-A18 PolarHBondContact O-N 2.83Å; M15-C19 WeakPolarHBondContact O-CB 3.4Å; M15-C19 PolarHBondContact O-N 2.63Å; M15-C19 PolarHBondContact O-SG 2.93Å |
| 16 | G | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -58.2 | -43.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | H7 G12 V13 C19 W20 | H7-G16 VanDerWaalsContact CE1-CA 3.41Å; H7-G16 WeakPolarHBondContact CE1-CA 3.49Å; G12-G16 PolarHBondContact O-N 2.72Å; V13-G16 PolarHBondContact O-N 3.45Å; G16-C19 PolarHBondContact O-N 3.01Å; G16-W20 PolarHBondContact O-N 2.59Å |
| 17 | N | 94.8 | Very high | 94.1 | Very high | 64 Ų | 64 | 68.4 Ų | 68.4 | 34% | 0.342 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.4 | -48.9 | 176.1 | -77.1 | -5 | 0 | 0 | 0 | 111.8 | V13 Q14 M15 C19 W20 E21 F66 | V13-N17 PolarHBondContact O-N 3.29Å; Q14-N17 PolarHBondContact O-N 3.43Å; M15-N17 VanDerWaalsContact C-N 3.33Å; M15-N17 PolarHBondContact O-N 3.17Å; N17-C19 PolarHBondContact O-N 3.24Å; N17-W20 PolarHBondContact O-N 3.44Å; N17-E21 WeakPolarHBondContact O-CB 3.49Å; N17-E21 PolarHBondContact O-N 3.26Å; N17-F66 WeakPolarHBondContact OD1-CE1 3.37Å |
| 18 | A | 95.7 | Very high | 93.7 | Very high | 58 Ų | 58 | 68.4 Ų | 68.4 | 48% | 0.479 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.1 | -40.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q14 M15 L22 | Q14-A18 PolarHBondContact O-N 2.79Å; M15-A18 PolarHBondContact O-N 2.83Å; A18-L22 PolarHBondContact O-N 3.08Å; A18-L22 VanDerWaalsContact O-N 3.11Å |
| 19 | C | 96 | Very high | 93.5 | Very high | 60 Ų | 60 | 64.3 Ų | 64.3 | 41% | 0.405 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 176.4 | -71.3 | 0 | 0 | 0 | 0 | 112.2 | M15 G16 N17 L22 Y23 | M15-C19 WeakPolarHBondContact O-CB 3.4Å; M15-C19 PolarHBondContact O-N 2.63Å; M15-C19 PolarHBondContact O-SG 2.93Å; G16-C19 PolarHBondContact O-N 3.01Å; N17-C19 PolarHBondContact O-N 3.24Å; C19-L22 PolarHBondContact O-N 3.3Å; C19-Y23 PolarHBondContact O-N 3.33Å |
| 20 | W | 95.9 | Very high | 93.4 | Very high | 16 Ų | 16 | 67.3 Ų | 67.3 | 6% | 0.061 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -73.5 | -31.9 | -179.3 | -76.8 | 112.6 | 0 | 0 | 0 | 112.9 | H7 G16 N17 L22 Y23 C24 F51 F52 P62 A64 F66 | H7-W20 AromaticContact CD2-NE1 3.95Å; H7-W20 AromaticContact NE2-CD1 3.84Å; H7-W20 AromaticContact NE2-NE1 3.38Å; H7-W20 PolarHBondContact NE2-NE1 2.9Å; G16-W20 PolarHBondContact O-N 2.59Å; N17-W20 PolarHBondContact O-N 3.44Å; W20-L22 VanDerWaalsContact C-N 3.32Å; W20-Y23 HydrophobicContact CD2-CD2 4.36Å; W20-Y23 AromaticContact CE3-CD2 3.77Å; W20-Y23 HydrophobicContact CE3-CD2 3.77Å; W20-Y23 HydrophobicContact CE3-CG 4.43Å; W20-Y23 HydrophobicContact CH2-CD2 4.36Å; W20-Y23 AromaticContact CZ3-CD2 3.77Å; W20-Y23 HydrophobicContact CZ3-CD2 3.77Å; W20-Y23 PolarHBondContact O-N 2.81Å; W20-C24 WeakPolarHBondContact O-CB 3.23Å; W20-C24 PolarHBondContact O-N 2.94Å; W20-C24 PolarHBondContact O-SG 3.15Å; W20-F51 HydrophobicContact CH2-CB 3.95Å; W20-F51 WeakPolarHBondContact CH2-O 3.42Å; W20-F51 HydrophobicContact CZ3-CB 4.21Å; W20-F52 HydrophobicContact CE3-CE1 4.03Å; W20-F52 HydrophobicContact CE3-CE2 4.46Å; W20-F52 AromaticContact CE3-CZ 3.76Å; W20-F52 HydrophobicContact CE3-CZ 3.76Å; W20-F52 HydrophobicContact CZ3-CD1 4.33Å; W20-F52 HydrophobicContact CZ3-CD2 4.38Å; W20-F52 AromaticContact CZ3-CE1 3.79Å; W20-F52 HydrophobicContact CZ3-CE1 3.79Å; W20-F52 AromaticContact CZ3-CE2 3.85Å; W20-F52 HydrophobicContact CZ3-CE2 3.85Å; W20-F52 AromaticContact CZ3-CZ 3.53Å; W20-F52 HydrophobicContact CZ3-CZ 3.53Å; W20-P62 HydrophobicContact CD2-CB 3.85Å; W20-P62 HydrophobicContact CD2-CG 4.24Å; W20-P62 HydrophobicContact CE3-CB 3.7Å; W20-P62 HydrophobicContact CE3-CG 3.92Å; W20-P62 HydrophobicContact CH2-CB 3.79Å; W20-P62 HydrophobicContact CZ2-CB 3.94Å; W20-P62 HydrophobicContact CZ3-CB 3.66Å; W20-P62 HydrophobicContact CZ3-CG 4.2Å; W20-A64 HydrophobicContact CZ2-CB 3.7Å; W20-A64 VanDerWaalsContact NE1-CB 3.34Å; W20-F66 AromaticContact CD1-CZ 3.7Å |
| 21 | E | 94.9 | Very high | 93.4 | Very high | 151 Ų | 151 | 69.4 Ų | 69.4 | 71% | 0.706 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -59.2 | -46.1 | 169.2 | -177 | 176.3 | -159.2 | 0 | 0 | 110.9 | N17 C24 L25 | N17-E21 WeakPolarHBondContact O-CB 3.49Å; N17-E21 PolarHBondContact O-N 3.26Å; E21-C24 PolarHBondContact O-N 2.87Å; E21-L25 PolarHBondContact O-N 3.08Å |
| 22 | L | 94.1 | Very high | 93.4 | Very high | 85 Ų | 85 | 70.1 Ų | 70.1 | 45% | 0.445 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 176.4 | -176.6 | 63.8 | 0 | 0 | 0 | 112.2 | A18 C19 W20 C24 L25 E26 | A18-L22 PolarHBondContact O-N 3.08Å; A18-L22 VanDerWaalsContact O-N 3.11Å; C19-L22 PolarHBondContact O-N 3.3Å; W20-L22 VanDerWaalsContact C-N 3.32Å; L22-C24 VanDerWaalsContact C-N 3.33Å; L22-C24 PolarHBondContact O-N 3.49Å; L22-L25 WeakPolarHBondContact O-CB 3.42Å; L22-L25 PolarHBondContact O-N 2.88Å; L22-L25 VanDerWaalsContact O-N 3.14Å; L22-E26 HydrophobicContact CD1-CG 4.22Å; L22-E26 HydrophobicContact CG-CG 4.29Å; L22-E26 WeakPolarHBondContact O-CB 3.26Å; L22-E26 WeakPolarHBondContact O-CG 3.5Å; L22-E26 PolarHBondContact O-N 2.78Å |
| 23 | Y | 92.1 | Very high | 93.2 | Very high | 78 Ų | 78 | 69.4 Ų | 69.4 | 31% | 0.306 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.5 | -42 | 176.7 | -76.7 | 2.7 | 0 | 0 | 0 | 112 | C19 W20 L25 E26 H27 F51 | C19-Y23 PolarHBondContact O-N 3.33Å; W20-Y23 HydrophobicContact CD2-CD2 4.36Å; W20-Y23 AromaticContact CE3-CD2 3.77Å; W20-Y23 HydrophobicContact CE3-CD2 3.77Å; W20-Y23 HydrophobicContact CE3-CG 4.43Å; W20-Y23 HydrophobicContact CH2-CD2 4.36Å; W20-Y23 AromaticContact CZ3-CD2 3.77Å; W20-Y23 HydrophobicContact CZ3-CD2 3.77Å; W20-Y23 PolarHBondContact O-N 2.81Å; Y23-L25 VanDerWaalsContact C-N 3.32Å; Y23-L25 PolarHBondContact O-N 2.97Å; Y23-E26 PolarHBondContact O-N 2.81Å; Y23-H27 WeakPolarHBondContact O-CB 3.07Å; Y23-H27 PolarHBondContact O-CD2 2.93Å; Y23-H27 PolarHBondContact O-N 3.48Å; Y23-H27 VanDerWaalsContact O-N 3.07Å; Y23-F51 HydrophobicContact CE2-CD1 4.44Å |
| 24 | C | 92.4 | Very high | 93.1 | Very high | 27 Ų | 27 | 73 Ų | 73 | 18% | 0.182 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 174.9 | -73.2 | 0 | 0 | 0 | 0 | 111.2 | W20 E21 L22 H27 G28 I29 | W20-C24 WeakPolarHBondContact O-CB 3.23Å; W20-C24 PolarHBondContact O-N 2.94Å; W20-C24 PolarHBondContact O-SG 3.15Å; E21-C24 PolarHBondContact O-N 2.87Å; L22-C24 VanDerWaalsContact C-N 3.33Å; L22-C24 PolarHBondContact O-N 3.49Å; C24-H27 PolarHBondContact O-N 2.79Å; C24-G28 PolarHBondContact O-N 3.45Å; C24-I29 HydrophobicContact CB-CB 4.12Å; C24-I29 WeakPolarHBondContact CB-O 3.28Å; C24-I29 PolarHBondContact O-N 2.81Å |
| 25 | L | 90.8 | Very high | 92.8 | Very high | 136 Ų | 136 | 69.3 Ų | 69.3 | 71% | 0.712 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -63.2 | -47.1 | 177.6 | -175.6 | 67.5 | 0 | 0 | 0 | 112.5 | E21 L22 Y23 H27 G28 | E21-L25 PolarHBondContact O-N 3.08Å; L22-L25 WeakPolarHBondContact O-CB 3.42Å; L22-L25 PolarHBondContact O-N 2.88Å; L22-L25 VanDerWaalsContact O-N 3.14Å; Y23-L25 VanDerWaalsContact C-N 3.32Å; Y23-L25 PolarHBondContact O-N 2.97Å; L25-H27 VanDerWaalsContact C-N 3.25Å; L25-H27 PolarHBondContact O-N 3.35Å; L25-G28 PolarHBondContact O-N 2.86Å |
| 26 | E | 89.9 | Confident | 91.9 | Very high | 122 Ų | 122 | 67.5 Ų | 67.5 | 57% | 0.57 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.7 | -34.3 | -180 | -73.9 | 176.9 | 164.8 | 0 | 0 | 112.2 | L22 Y23 | L22-E26 HydrophobicContact CD1-CG 4.22Å; L22-E26 HydrophobicContact CG-CG 4.29Å; L22-E26 WeakPolarHBondContact O-CB 3.26Å; L22-E26 WeakPolarHBondContact O-CG 3.5Å; L22-E26 PolarHBondContact O-N 2.78Å; Y23-E26 PolarHBondContact O-N 2.81Å |
| 27 | H | 87.6 | Confident | 90.5 | Very high | 65 Ų | 65 | 71.7 Ų | 71.7 | 30% | 0.301 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -96.3 | 1.3 | 179.8 | -66.9 | -65.7 | 0 | 0 | 0 | 114.1 | Y23 C24 L25 I29 M35 | Y23-H27 WeakPolarHBondContact O-CB 3.07Å; Y23-H27 PolarHBondContact O-CD2 2.93Å; Y23-H27 PolarHBondContact O-N 3.48Å; Y23-H27 VanDerWaalsContact O-N 3.07Å; C24-H27 PolarHBondContact O-N 2.79Å; L25-H27 VanDerWaalsContact C-N 3.25Å; L25-H27 PolarHBondContact O-N 3.35Å; H27-I29 HydrophobicContact CB-CD1 4.07Å; H27-I29 HydrophobicContact CB-CG1 4.09Å; H27-I29 PolarHBondContact O-N 3.28Å; H27-M35 HydrophobicContact CB-CE 4.3Å; H27-M35 VanDerWaalsContact O-CE 3.24Å; H27-M35 WeakPolarHBondContact O-CE 3.32Å |
| 28 | G | 89.7 | Confident | 88.7 | Confident | 33 Ų | 33 | 71.4 Ų | 71.4 | 34% | 0.34 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 24.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | C24 L25 | C24-G28 PolarHBondContact O-N 3.45Å; L25-G28 PolarHBondContact O-N 2.86Å |
| 29 | I | 91.2 | Very high | 86.6 | Confident | 10 Ų | 10 | 78.5 Ų | 78.5 | 5% | 0.051 | 42% | 0.42 | C | S | . | . | trans | -82.6 | 123.1 | 174.2 | -57 | 171.2 | 0 | 0 | 0 | 108 | C24 H27 M35 F52 H60 | C24-I29 HydrophobicContact CB-CB 4.12Å; C24-I29 WeakPolarHBondContact CB-O 3.28Å; C24-I29 PolarHBondContact O-N 2.81Å; H27-I29 HydrophobicContact CB-CD1 4.07Å; H27-I29 HydrophobicContact CB-CG1 4.09Å; H27-I29 PolarHBondContact O-N 3.28Å; I29-M35 HydrophobicContact CD1-CE 3.97Å; I29-M35 HydrophobicContact CG1-CE 3.41Å; I29-M35 VanDerWaalsContact CG1-CE 3.41Å; I29-F52 HydrophobicContact CD1-CD1 3.82Å; I29-F52 HydrophobicContact CD1-CD2 4.1Å; I29-F52 HydrophobicContact CD1-CE1 3.56Å; I29-F52 HydrophobicContact CD1-CE2 3.88Å; I29-F52 HydrophobicContact CD1-CG 4.08Å; I29-F52 HydrophobicContact CD1-CZ 3.59Å; I29-H60 HydrophobicContact CD1-CB 3.83Å; I29-H60 HydrophobicContact CG1-CB 4.3Å; I29-H60 HydrophobicContact CG2-CB 4.11Å | ||
| 30 | Q | 93.3 | Very high | 84.3 | Confident | 89 Ų | 89 | 78.9 Ų | 78.9 | 42% | 0.416 | 42% | 0.421 | S | S | . | . | trans | -71.4 | 161.2 | 175.6 | -67.2 | -168 | 2 | 0 | 0 | 111.5 | D32 G33 Q34 P36 | Q30-D32 VanDerWaalsContact CB-OD1 3.23Å; Q30-D32 WeakPolarHBondContact CB-OD1 3.3Å; Q30-D32 PolarHBondContact O-N 3.35Å; Q30-D32 VanDerWaalsContact O-N 3.08Å; Q30-G33 WeakPolarHBondContact O-CA 3.37Å; Q30-G33 PolarHBondContact O-N 2.88Å; Q30-Q34 WeakPolarHBondContact CB-O 3.35Å; Q30-Q34 PolarHBondContact N-O 2.84Å; Q30-P36 HydrophobicContact CG-CG 4.19Å | ||
| 31 | P | 92.8 | Very high | 82.1 | Confident | 144 Ų | 144 | 86.6 Ų | 86.6 | 94% | 0.935 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -23.9 | 178.3 | -26.6 | 35.7 | 0 | 0 | 0 | 114.7 | G33 | P31-G33 VanDerWaalsContact C-N 3.25Š|
| 32 | D | 93.7 | Very high | 80 | Confident | 83 Ų | 83 | 83.2 Ų | 83.2 | 44% | 0.444 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -6 | 174.4 | 69.6 | -8.5 | 0 | 0 | 0 | 113.5 | Q30 Q34 K59 | Q30-D32 VanDerWaalsContact CB-OD1 3.23Å; Q30-D32 WeakPolarHBondContact CB-OD1 3.3Å; Q30-D32 PolarHBondContact O-N 3.35Å; Q30-D32 VanDerWaalsContact O-N 3.08Å; D32-Q34 VanDerWaalsContact OD1-CB 3.28Å; D32-Q34 WeakPolarHBondContact OD1-CB 3.24Å; D32-Q34 WeakPolarHBondContact OD1-CG 3.41Å; D32-Q34 PolarHBondContact OD1-N 2.82Å; D32-Q34 WeakPolarHBondContact OD2-CG 3.3Å; D32-K59 WeakPolarHBondContact O-CD 3.47Å; D32-K59 WeakPolarHBondContact O-CE 3.45Å; D32-K59 PolarHBondContact O-NZ 2.92Å |
| 33 | G | 91.9 | Very high | 77.9 | Confident | 5 Ų | 5 | 82.1 Ų | 82.1 | 5% | 0.052 | 48% | 0.476 | C | S | . | . | S | Bend | trans | 87.9 | 7.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q30 P31 H60 | Q30-G33 WeakPolarHBondContact O-CA 3.37Å; Q30-G33 PolarHBondContact O-N 2.88Å; P31-G33 VanDerWaalsContact C-N 3.25Å; G33-H60 PolarHBondContact O-N 3.35Å |
| 34 | Q | 91.9 | Very high | 75.6 | Confident | 76 Ų | 76 | 80.4 Ų | 80.4 | 36% | 0.355 | 48% | 0.482 | S | S | . | . | trans | -80.2 | 145.8 | 175.7 | -66.8 | -66.4 | -22.3 | 0 | 0 | 111.3 | Q30 D32 | Q30-Q34 WeakPolarHBondContact CB-O 3.35Å; Q30-Q34 PolarHBondContact N-O 2.84Å; D32-Q34 VanDerWaalsContact OD1-CB 3.28Å; D32-Q34 WeakPolarHBondContact OD1-CB 3.24Å; D32-Q34 WeakPolarHBondContact OD1-CG 3.41Å; D32-Q34 PolarHBondContact OD1-N 2.82Å; D32-Q34 WeakPolarHBondContact OD2-CG 3.3Å | ||
| 35 | M | 88 | Confident | 74 | Confident | 25 Ų | 25 | 84.9 Ų | 84.9 | 12% | 0.123 | 50% | 0.504 | C | S | . | . | trans | -121.7 | 87.9 | 173.9 | -169.9 | -171.3 | -68.6 | 0 | 0 | 109.1 | H27 I29 S37 D38 F48 | H27-M35 HydrophobicContact CB-CE 4.3Å; H27-M35 VanDerWaalsContact O-CE 3.24Å; H27-M35 WeakPolarHBondContact O-CE 3.32Å; I29-M35 HydrophobicContact CD1-CE 3.97Å; I29-M35 HydrophobicContact CG1-CE 3.41Å; I29-M35 VanDerWaalsContact CG1-CE 3.41Å; M35-S37 PolarHBondContact O-N 2.87Å; M35-S37 VanDerWaalsContact O-N 3.17Å; M35-D38 HydrophobicContact CG-CB 4.42Å; M35-D38 PolarHBondContact O-N 3.38Å; M35-D38 HydrophobicContact SD-CB 4.12Å; M35-F48 HydrophobicContact CE-CE2 4.29Å; M35-F48 HydrophobicContact CE-CZ 4.36Å | ||
| 36 | P | 77.6 | Confident | 72.7 | Confident | 91 Ų | 91 | 84.1 Ų | 84.1 | 59% | 0.591 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -18.4 | -172.1 | -11.8 | 21.3 | 0 | 0 | 0 | 114.4 | Q30 D38 | Q30-P36 HydrophobicContact CG-CG 4.19Å; P36-D38 VanDerWaalsContact C-N 3.31Å |
| 37 | S | 66.4 | Low | 71.7 | Confident | 87 Ų | 87 | 81.3 Ų | 81.3 | 61% | 0.608 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -8.6 | -178.4 | 45.8 | 0 | 0 | 0 | 0 | 113.7 | M35 K39 | M35-S37 PolarHBondContact O-N 2.87Å; M35-S37 VanDerWaalsContact O-N 3.17Å; S37-K39 PolarHBondContact O-N 3.41Å |
| 38 | D | 57.2 | Low | 71.2 | Confident | 59 Ų | 59 | 79.7 Ų | 79.7 | 32% | 0.316 | 49% | 0.487 | S | S | . | . | trans | -82.2 | 87.8 | -176.5 | -152.9 | -5 | 0 | 0 | 0 | 111.6 | M35 P36 T40 | M35-D38 HydrophobicContact CG-CB 4.42Å; M35-D38 PolarHBondContact O-N 3.38Å; M35-D38 HydrophobicContact SD-CB 4.12Å; P36-D38 VanDerWaalsContact C-N 3.31Å; D38-T40 PolarHBondContact O-N 2.93Å; D38-T40 VanDerWaalsContact OD1-C 3.3Å; D38-T40 VanDerWaalsContact OD1-CA 3.31Å; D38-T40 WeakPolarHBondContact OD1-CA 3.5Å; D38-T40 WeakPolarHBondContact OD1-CB 3.35Å; D38-T40 PolarHBondContact OD1-N 3.47Å; D38-T40 PolarHBondContact OD1-OG1 3.42Å | ||
| 39 | K | 50.3 | Low | 70.9 | Confident | 207 Ų | 207 | 81 Ų | 81 | 90% | 0.9 | 49% | 0.488 | S | S | * | . | trans | -77.4 | 4.6 | 163.4 | -75.9 | -170.7 | 178.3 | 179.2 | 0 | 112.4 | S37 | S37-K39 PolarHBondContact O-N 3.41Š| ||
| 40 | T | 49 | Very low | 70.9 | Confident | 68 Ų | 68 | 81.9 Ų | 81.9 | 42% | 0.417 | 49% | 0.494 | S | S | . | . | trans | -114.4 | 73.4 | 179.1 | 31.3 | 0 | 0 | 0 | 0 | 109.5 | D38 G42 | D38-T40 PolarHBondContact O-N 2.93Å; D38-T40 VanDerWaalsContact OD1-C 3.3Å; D38-T40 VanDerWaalsContact OD1-CA 3.31Å; D38-T40 WeakPolarHBondContact OD1-CA 3.5Å; D38-T40 WeakPolarHBondContact OD1-CB 3.35Å; D38-T40 PolarHBondContact OD1-N 3.47Å; D38-T40 PolarHBondContact OD1-OG1 3.42Å; T40-G42 PolarHBondContact O-N 3.15Å | ||
| 41 | I | 48.9 | Very low | 70.9 | Confident | 177 Ų | 177 | 80.6 Ų | 80.6 | 91% | 0.908 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 94.4 | 152.4 | -59.6 | 175.6 | 0 | 0 | 0 | 106.4 | ||
| 42 | G | 50.3 | Low | 71 | Confident | 81 Ų | 81 | 73.8 Ų | 73.8 | 84% | 0.835 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | 43.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | T40 | T40-G42 PolarHBondContact O-N 3.15Š|
| 43 | G | 50.2 | Low | 70.9 | Confident | 61 Ų | 61 | 71.9 Ų | 71.9 | 63% | 0.629 | 44% | 0.436 | S | S | * | . | trans | -163.7 | 14.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 44 | G | 45.3 | Very low | 70.8 | Confident | 42 Ų | 42 | 78.2 Ų | 78.2 | 43% | 0.433 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -143 | 99.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 45 | D | 57.3 | Low | 70.7 | Confident | 122 Ų | 122 | 77.2 Ų | 77.2 | 65% | 0.652 | 46% | 0.463 | S | S | * | . | trans | 54.6 | 79 | 173.1 | -151.3 | -16.9 | 0 | 0 | 0 | 116 | S47 F48 | D45-S47 PolarHBondContact O-N 3.07Å; D45-S47 WeakPolarHBondContact OD1-CB 3.3Å; D45-S47 PolarHBondContact OD1-N 2.96Å; D45-S47 PolarHBondContact OD1-OG 3.24Å; D45-F48 VanDerWaalsContact O-CD1 3.3Å; D45-F48 WeakPolarHBondContact O-CD1 3.12Å; D45-F48 WeakPolarHBondContact O-CE1 3.33Å | ||
| 46 | D | 63.8 | Low | 70.5 | Confident | 119 Ų | 119 | 80.7 Ų | 80.7 | 64% | 0.636 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -58.5 | 0.6 | 176.9 | -66.8 | -34.3 | 0 | 0 | 0 | 115 | F48 T49 | D46-F48 VanDerWaalsContact C-N 3.3Å; D46-F48 PolarHBondContact O-N 3.45Å; D46-T49 HydrophobicContact CB-CG2 4.49Å; D46-T49 WeakPolarHBondContact O-CB 3.4Å; D46-T49 PolarHBondContact O-N 3.35Å; D46-T49 VanDerWaalsContact O-N 3.15Å; D46-T49 PolarHBondContact O-OG1 3.24Å |
| 47 | S | 69.1 | Low | 71.1 | Confident | 64 Ų | 64 | 80 Ų | 80 | 45% | 0.448 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -61.7 | -33.6 | -174.9 | 55.3 | 0 | 0 | 0 | 0 | 113.2 | D45 T49 T50 | D45-S47 PolarHBondContact O-N 3.07Å; D45-S47 WeakPolarHBondContact OD1-CB 3.3Å; D45-S47 PolarHBondContact OD1-N 2.96Å; D45-S47 PolarHBondContact OD1-OG 3.24Å; S47-T49 PolarHBondContact O-N 3.16Å; S47-T50 WeakPolarHBondContact O-CB 3.49Å; S47-T50 PolarHBondContact O-N 2.93Å; S47-T50 PolarHBondContact O-OG1 3.34Å |
| 48 | F | 77.3 | Confident | 72 | Confident | 30 Ų | 30 | 76.9 Ų | 76.9 | 13% | 0.132 | 49% | 0.489 | C | S | . | . | G | 310 helix | trans | -75.3 | -19.9 | 177.8 | 72.9 | -91 | 0 | 0 | 0 | 113.7 | M35 D45 D46 T50 F51 F52 H60 | M35-F48 HydrophobicContact CE-CE2 4.29Å; M35-F48 HydrophobicContact CE-CZ 4.36Å; D45-F48 VanDerWaalsContact O-CD1 3.3Å; D45-F48 WeakPolarHBondContact O-CD1 3.12Å; D45-F48 WeakPolarHBondContact O-CE1 3.33Å; D46-F48 VanDerWaalsContact C-N 3.3Å; D46-F48 PolarHBondContact O-N 3.45Å; F48-T50 PolarHBondContact O-N 3.43Å; F48-T50 VanDerWaalsContact O-N 3.08Å; F48-F51 PolarHBondContact O-N 3.45Å; F48-F52 HydrophobicContact CB-CD2 4.47Å; F48-F52 HydrophobicContact CD2-CB 4.43Å; F48-F52 HydrophobicContact CD2-CD2 4.35Å; F48-F52 PolarHBondContact O-N 2.8Å; F48-H60 AromaticContact CE2-CD2 3.6Å; F48-H60 AromaticContact CE2-NE2 3.64Å |
| 49 | T | 83.9 | Confident | 73.6 | Confident | 60 Ų | 60 | 78.4 Ų | 78.4 | 37% | 0.368 | 49% | 0.492 | S | S | . | . | G | 310 helix | trans | -62.2 | -16.9 | 173.1 | 72.4 | 0 | 0 | 0 | 0 | 112.4 | D46 S47 F51 F52 R63 | D46-T49 HydrophobicContact CB-CG2 4.49Å; D46-T49 WeakPolarHBondContact O-CB 3.4Å; D46-T49 PolarHBondContact O-N 3.35Å; D46-T49 VanDerWaalsContact O-N 3.15Å; D46-T49 PolarHBondContact O-OG1 3.24Å; S47-T49 PolarHBondContact O-N 3.16Å; T49-F51 VanDerWaalsContact C-N 3.26Å; T49-F51 PolarHBondContact O-N 3.34Å; T49-F52 CarbonylContact C-O 3.45Å; T49-F52 WeakPolarHBondContact CA-O 3.43Å; T49-R63 PolarHBondContact O-NE 2.85Å; T49-R63 PolarHBondContact O-NH2 3.21Å |
| 50 | T | 91 | Very high | 75.6 | Confident | 30 Ų | 30 | 69 Ų | 69 | 18% | 0.184 | 45% | 0.452 | C | S | . | . | G | 310 helix | trans | -56.1 | -40.9 | 167.3 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | R1 C3 S47 F48 R63 | R1-T50 WeakPolarHBondContact O-CB 3.31Å; R1-T50 VanDerWaalsContact O-CG2 3.26Å; R1-T50 WeakPolarHBondContact O-CG2 3.31Å; R1-T50 PolarHBondContact O-OG1 3.35Å; C3-T50 HydrophobicContact CB-CG2 3.94Å; C3-T50 PolarHBondContact N-O 3.35Å; S47-T50 WeakPolarHBondContact O-CB 3.49Å; S47-T50 PolarHBondContact O-N 2.93Å; S47-T50 PolarHBondContact O-OG1 3.34Å; F48-T50 PolarHBondContact O-N 3.43Å; F48-T50 VanDerWaalsContact O-N 3.08Å; T50-R63 WeakPolarHBondContact O-CD 3.49Å |
| 51 | F | 93.6 | Very high | 77.8 | Confident | 61 Ų | 61 | 68.1 Ų | 68.1 | 27% | 0.268 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | -24.4 | -172.3 | -64.8 | -73 | 0 | 0 | 0 | 113.4 | C3 W20 Y23 F48 T49 R63 | C3-F51 HydrophobicContact CB-CD1 4.11Å; C3-F51 HydrophobicContact CB-CE1 3.84Å; W20-F51 HydrophobicContact CH2-CB 3.95Å; W20-F51 WeakPolarHBondContact CH2-O 3.42Å; W20-F51 HydrophobicContact CZ3-CB 4.21Å; Y23-F51 HydrophobicContact CE2-CD1 4.44Å; F48-F51 PolarHBondContact O-N 3.45Å; T49-F51 VanDerWaalsContact C-N 3.26Å; T49-F51 PolarHBondContact O-N 3.34Å; F51-R63 VanDerWaalsContact O-CB 3.32Å; F51-R63 WeakPolarHBondContact O-CB 3.41Å; F51-R63 WeakPolarHBondContact O-CG 3.36Å; F51-R63 PolarHBondContact O-N 2.9Å |
| 52 | F | 93.4 | Very high | 80.1 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.009 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 149.1 | 177.5 | -64.1 | -92.5 | 0 | 0 | 0 | 111.4 | W20 I29 F48 T49 H60 V61 P62 R63 | W20-F52 HydrophobicContact CE3-CE1 4.03Å; W20-F52 HydrophobicContact CE3-CE2 4.46Å; W20-F52 AromaticContact CE3-CZ 3.76Å; W20-F52 HydrophobicContact CE3-CZ 3.76Å; W20-F52 HydrophobicContact CZ3-CD1 4.33Å; W20-F52 HydrophobicContact CZ3-CD2 4.38Å; W20-F52 AromaticContact CZ3-CE1 3.79Å; W20-F52 HydrophobicContact CZ3-CE1 3.79Å; W20-F52 AromaticContact CZ3-CE2 3.85Å; W20-F52 HydrophobicContact CZ3-CE2 3.85Å; W20-F52 AromaticContact CZ3-CZ 3.53Å; W20-F52 HydrophobicContact CZ3-CZ 3.53Å; I29-F52 HydrophobicContact CD1-CD1 3.82Å; I29-F52 HydrophobicContact CD1-CD2 4.1Å; I29-F52 HydrophobicContact CD1-CE1 3.56Å; I29-F52 HydrophobicContact CD1-CE2 3.88Å; I29-F52 HydrophobicContact CD1-CG 4.08Å; I29-F52 HydrophobicContact CD1-CZ 3.59Å; F48-F52 HydrophobicContact CB-CD2 4.47Å; F48-F52 HydrophobicContact CD2-CB 4.43Å; F48-F52 HydrophobicContact CD2-CD2 4.35Å; F48-F52 PolarHBondContact O-N 2.8Å; T49-F52 CarbonylContact C-O 3.45Å; T49-F52 WeakPolarHBondContact CA-O 3.43Å; F52-H60 HydrophobicContact CD1-CB 4.23Å; F52-V61 CarbonylContact C-O 3.53Å; F52-V61 VanDerWaalsContact CA-O 3.3Å; F52-V61 WeakPolarHBondContact CA-O 3.43Å; F52-P62 HydrophobicContact CD1-CG 4.25Å; F52-P62 HydrophobicContact CE1-CB 4.5Å; F52-P62 HydrophobicContact CE1-CG 3.91Å; F52-R63 PolarHBondContact O-NE 3.11Å; F52-R63 VanDerWaalsContact O-NE 3.17Å; F52-R63 PolarHBondContact O-NH2 2.9Å |
| 53 | C | 92.2 | Very high | 82.3 | Confident | 43 Ų | 43 | 61.6 Ų | 61.6 | 29% | 0.291 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 144.1 | 160.5 | 62 | 0 | 0 | 0 | 0 | 110.1 | H60 V61 | C53-H60 WeakPolarHBondContact O-CA 3.45Å; C53-V61 PolarHBondContact N-O 3.48Å; C53-V61 PolarHBondContact O-N 2.82Å |
| 54 | E | 90.6 | Very high | 84.5 | Confident | 138 Ų | 138 | 60 Ų | 60 | 65% | 0.645 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 133.8 | 174.8 | -161.7 | -168.1 | 159 | 0 | 0 | 109.6 | K59 | E54-K59 WeakPolarHBondContact CA-O 3.45Å |
| 55 | T | 89.2 | Confident | 86.9 | Confident | 54 Ų | 54 | 61.4 Ų | 61.4 | 33% | 0.331 | 37% | 0.372 | S | S | . | . | trans | -88.1 | 161.1 | 171 | 67.8 | 0 | 0 | 0 | 0 | 110.3 | A57 G58 K59 V61 | T55-A57 PolarHBondContact O-N 3.33Å; T55-A57 PolarHBondContact OG1-N 3.41Å; T55-G58 PolarHBondContact O-N 3.46Å; T55-K59 HydrophobicContact CG2-CB 4.34Å; T55-K59 PolarHBondContact N-O 2.91Å; T55-K59 VanDerWaalsContact OG1-CB 3.31Å; T55-K59 WeakPolarHBondContact OG1-CB 3.26Å; T55-K59 PolarHBondContact OG1-N 3.44Å; T55-K59 PolarHBondContact OG1-O 2.92Å; T55-V61 HydrophobicContact CG2-CG2 3.94Å | ||
| 56 | G | 84.6 | Confident | 88.7 | Confident | 98 Ų | 98 | 58.5 Ų | 58.5 | 100% | 1.01 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -8.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 57 | A | 88.6 | Confident | 90.2 | Very high | 78 Ų | 78 | 55.9 Ų | 55.9 | 65% | 0.645 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | 10.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T55 K59 | T55-A57 PolarHBondContact O-N 3.33Å; T55-A57 PolarHBondContact OG1-N 3.41Å; A57-K59 PolarHBondContact O-N 3.21Å |
| 58 | G | 86.5 | Confident | 91.3 | Very high | 20 Ų | 20 | 54.4 Ų | 54.4 | 21% | 0.206 | 33% | 0.329 | C | S | . | . | S | Bend | trans | 75.9 | 6.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | T55 H60 | T55-G58 PolarHBondContact O-N 3.46Å; G58-H60 PolarHBondContact O-ND1 3.4Å |
| 59 | K | 91.3 | Very high | 92 | Very high | 91 Ų | 91 | 61.1 Ų | 61.1 | 40% | 0.396 | 37% | 0.365 | S | S | . | . | trans | -77.4 | 128.3 | 177.2 | -172 | 177.6 | 177.4 | 160.8 | 0 | 110.8 | D32 E54 T55 A57 V61 | D32-K59 WeakPolarHBondContact O-CD 3.47Å; D32-K59 WeakPolarHBondContact O-CE 3.45Å; D32-K59 PolarHBondContact O-NZ 2.92Å; E54-K59 WeakPolarHBondContact CA-O 3.45Å; T55-K59 HydrophobicContact CG2-CB 4.34Å; T55-K59 PolarHBondContact N-O 2.91Å; T55-K59 VanDerWaalsContact OG1-CB 3.31Å; T55-K59 WeakPolarHBondContact OG1-CB 3.26Å; T55-K59 PolarHBondContact OG1-N 3.44Å; T55-K59 PolarHBondContact OG1-O 2.92Å; A57-K59 PolarHBondContact O-N 3.21Å; K59-V61 HydrophobicContact CD-CG2 4.19Å; K59-V61 HydrophobicContact CG-CG2 4.09Å | ||
| 60 | H | 92.4 | Very high | 92.1 | Very high | 10 Ų | 10 | 63.5 Ų | 63.5 | 5% | 0.046 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 121.1 | 170.7 | -64.4 | 78.2 | 0 | 0 | 0 | 110 | I29 G33 F48 F52 C53 G58 | I29-H60 HydrophobicContact CD1-CB 3.83Å; I29-H60 HydrophobicContact CG1-CB 4.3Å; I29-H60 HydrophobicContact CG2-CB 4.11Å; G33-H60 PolarHBondContact O-N 3.35Å; F48-H60 AromaticContact CE2-CD2 3.6Å; F48-H60 AromaticContact CE2-NE2 3.64Å; F52-H60 HydrophobicContact CD1-CB 4.23Å; C53-H60 WeakPolarHBondContact O-CA 3.45Å; G58-H60 PolarHBondContact O-ND1 3.4Å |
| 61 | V | 94.9 | Very high | 91.5 | Very high | 50 Ų | 50 | 67.9 Ų | 67.9 | 30% | 0.303 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 124.5 | -175.3 | 178.1 | 0 | 0 | 0 | 0 | 109.4 | F52 C53 T55 K59 R63 | F52-V61 CarbonylContact C-O 3.53Å; F52-V61 VanDerWaalsContact CA-O 3.3Å; F52-V61 WeakPolarHBondContact CA-O 3.43Å; C53-V61 PolarHBondContact N-O 3.48Å; C53-V61 PolarHBondContact O-N 2.82Å; T55-V61 HydrophobicContact CG2-CG2 3.94Å; K59-V61 HydrophobicContact CD-CG2 4.19Å; K59-V61 HydrophobicContact CG-CG2 4.09Å; V61-R63 PolarHBondContact O-N 3.14Å |
| 62 | P | 96.2 | Very high | 90.6 | Very high | 48 Ų | 48 | 69.9 Ų | 69.9 | 31% | 0.312 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 135.9 | 174.9 | -28 | 35.9 | 0 | 0 | 0 | 112.7 | W20 F52 A64 | W20-P62 HydrophobicContact CD2-CB 3.85Å; W20-P62 HydrophobicContact CD2-CG 4.24Å; W20-P62 HydrophobicContact CE3-CB 3.7Å; W20-P62 HydrophobicContact CE3-CG 3.92Å; W20-P62 HydrophobicContact CH2-CB 3.79Å; W20-P62 HydrophobicContact CZ2-CB 3.94Å; W20-P62 HydrophobicContact CZ3-CB 3.66Å; W20-P62 HydrophobicContact CZ3-CG 4.2Å; F52-P62 HydrophobicContact CD1-CG 4.25Å; F52-P62 HydrophobicContact CE1-CB 4.5Å; F52-P62 HydrophobicContact CE1-CG 3.91Å; P62-A64 HydrophobicContact CB-CB 4.06Å; P62-A64 PolarHBondContact O-N 2.98Å |
| 63 | R | 96.2 | Very high | 89.3 | Confident | 73 Ų | 73 | 70.4 Ų | 70.4 | 28% | 0.275 | 42% | 0.422 | S | S | . | . | trans | -80.5 | 66.6 | 166.9 | -62.1 | 174.8 | -171.1 | -82.3 | 2.4 | 109.1 | C3 I4 S5 T49 T50 F51 F52 V61 | C3-R63 VanDerWaalsContact O-CB 3.3Å; C3-R63 WeakPolarHBondContact O-CB 3.35Å; I4-R63 WeakPolarHBondContact CA-O 3.48Å; S5-R63 PolarHBondContact N-O 3.02Å; T49-R63 PolarHBondContact O-NE 2.85Å; T49-R63 PolarHBondContact O-NH2 3.21Å; T50-R63 WeakPolarHBondContact O-CD 3.49Å; F51-R63 VanDerWaalsContact O-CB 3.32Å; F51-R63 WeakPolarHBondContact O-CB 3.41Å; F51-R63 WeakPolarHBondContact O-CG 3.36Å; F51-R63 PolarHBondContact O-N 2.9Å; F52-R63 PolarHBondContact O-NE 3.11Å; F52-R63 VanDerWaalsContact O-NE 3.17Å; F52-R63 PolarHBondContact O-NH2 2.9Å; V61-R63 PolarHBondContact O-N 3.14Å | ||
| 64 | A | 96.8 | Very high | 88.2 | Confident | 27 Ų | 27 | 72.4 Ų | 72.4 | 22% | 0.223 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 144.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S5 W20 P62 F66 | S5-A64 CarbonylContact O-C 3.54Å; S5-A64 VanDerWaalsContact O-CA 3.26Å; S5-A64 WeakPolarHBondContact O-CA 3.45Å; W20-A64 HydrophobicContact CZ2-CB 3.7Å; W20-A64 VanDerWaalsContact NE1-CB 3.34Å; P62-A64 HydrophobicContact CB-CB 4.06Å; P62-A64 PolarHBondContact O-N 2.98Å; A64-F66 HydrophobicContact CB-CD2 4.33Å; A64-F66 HydrophobicContact CB-CE2 3.76Å |
| 65 | V | 96.3 | Very high | 86.8 | Confident | 71 Ų | 71 | 74.6 Ų | 74.6 | 43% | 0.43 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 127.4 | 170 | -177.5 | 0 | 0 | 0 | 0 | 108.2 | I4 S5 V6 H7 V67 | I4-V65 HydrophobicContact CG2-CG2 4.44Å; S5-V65 PolarHBondContact O-N 3.15Å; V6-V65 WeakPolarHBondContact CA-O 3.39Å; H7-V65 PolarHBondContact N-O 3.47Å; V65-V67 HydrophobicContact CG1-CG2 3.89Å |
| 66 | F | 95.3 | Very high | 86.7 | Confident | 62 Ų | 62 | 75.6 Ų | 75.6 | 27% | 0.272 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 128.3 | 175.5 | -66.7 | -97.2 | 0 | 0 | 0 | 108.9 | H7 V13 N17 W20 A64 | H7-F66 HydrophobicContact CB-CD1 3.68Å; H7-F66 HydrophobicContact CB-CE1 3.98Å; H7-F66 HydrophobicContact CB-CG 4.36Å; H7-F66 AromaticContact CD2-CE1 3.62Å; H7-F66 AromaticContact CD2-CZ 3.75Å; H7-F66 AromaticContact CG-CE1 3.98Å; H7-F66 WeakPolarHBondContact O-CA 3.34Å; V13-F66 HydrophobicContact CB-CD1 4.17Å; V13-F66 HydrophobicContact CG1-CD1 3.86Å; V13-F66 HydrophobicContact CG1-CE1 4.47Å; V13-F66 HydrophobicContact CG2-CB 4.34Å; V13-F66 HydrophobicContact CG2-CD1 4.11Å; N17-F66 WeakPolarHBondContact OD1-CE1 3.37Å; W20-F66 AromaticContact CD1-CZ 3.7Å; A64-F66 HydrophobicContact CB-CD2 4.33Å; A64-F66 HydrophobicContact CB-CE2 3.76Å |
| 67 | V | 94.5 | Very high | 86.8 | Confident | 63 Ų | 63 | 74.4 Ų | 74.4 | 38% | 0.382 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 121.6 | -178 | -174 | 0 | 0 | 0 | 0 | 108.9 | H7 V8 G9 V65 | H7-V67 PolarHBondContact O-N 3.07Å; V8-V67 CarbonylContact C-O 3.52Å; V8-V67 WeakPolarHBondContact CA-O 3.3Å; V8-V67 HydrophobicContact CG2-CB 4.46Å; G9-V67 PolarHBondContact N-O 3.49Å; V65-V67 HydrophobicContact CG1-CG2 3.89Å |
| 68 | D | 92.8 | Very high | 86.7 | Confident | 34 Ų | 34 | 74.2 Ų | 74.2 | 18% | 0.182 | 42% | 0.416 | C | S | . | . | trans | -138 | 147.7 | 170.3 | -155.1 | -19 | 0 | 0 | 0 | 108.7 | Q10 V13 E70 I74 | Q10-D68 WeakPolarHBondContact CA-OD2 3.44Å; Q10-D68 PolarHBondContact N-OD2 3.01Å; V13-D68 HydrophobicContact CG2-CB 4.4Å; D68-E70 VanDerWaalsContact C-N 3.34Å; D68-E70 PolarHBondContact OD1-N 3.28Å; D68-I74 HydrophobicContact CB-CD1 3.87Å; D68-I74 HydrophobicContact CB-CG1 3.98Å | ||
| 69 | L | 91.6 | Very high | 86.7 | Confident | 170 Ų | 170 | 77.4 Ų | 77.4 | 89% | 0.89 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -90.1 | -8.2 | 174.4 | -60.9 | -178.2 | 0 | 0 | 0 | 111.6 | ||
| 70 | E | 86.4 | Confident | 86.4 | Confident | 111 Ų | 111 | 76.6 Ų | 76.6 | 52% | 0.519 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -113.7 | 132.5 | 174 | -62 | -174.8 | -179.8 | 0 | 0 | 110.4 | D68 T72 | D68-E70 VanDerWaalsContact C-N 3.34Å; D68-E70 PolarHBondContact OD1-N 3.28Å; E70-T72 PolarHBondContact O-N 3.27Å; E70-T72 VanDerWaalsContact O-N 3.16Å |
| 71 | P | 77.9 | Confident | 86 | Confident | 121 Ų | 121 | 81 Ų | 81 | 79% | 0.786 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | 1.6 | -172.9 | 32.3 | -37 | 0 | 0 | 0 | 114 | ||
| 72 | T | 74.4 | Confident | 85.3 | Confident | 103 Ų | 103 | 83.2 Ų | 83.2 | 63% | 0.632 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -16.8 | -169.6 | 45.5 | 0 | 0 | 0 | 0 | 113.8 | E70 | E70-T72 PolarHBondContact O-N 3.27Å; E70-T72 VanDerWaalsContact O-N 3.16Å |
| 73 | V | 67.4 | Low | 84.5 | Confident | 13 Ų | 13 | 85.9 Ų | 85.9 | 8% | 0.079 | 48% | 0.478 | C | S | . | . | S | Bend | trans | -115 | -22.5 | -167.5 | -170.2 | 0 | 0 | 0 | 0 | 113.3 | Q10 V13 Q14 V75 | Q10-V73 HydrophobicContact CB-CG2 3.95Å; Q10-V73 HydrophobicContact CG-CG1 4.25Å; Q10-V73 HydrophobicContact CG-CG2 3.66Å; V13-V73 HydrophobicContact CB-CG1 3.93Å; V13-V73 HydrophobicContact CG1-CG1 3.76Å; Q14-V73 HydrophobicContact CG-CG1 3.7Å; V73-V75 PolarHBondContact O-N 3.22Å |
| 74 | I | 68.9 | Low | 83.5 | Confident | 86 Ų | 86 | 87 Ų | 87 | 44% | 0.441 | 50% | 0.495 | S | S | . | . | trans | -83.3 | 106.7 | 176.7 | -54.5 | 175.7 | 0 | 0 | 0 | 108.3 | D68 | D68-I74 HydrophobicContact CB-CD1 3.87Å; D68-I74 HydrophobicContact CB-CG1 3.98Å | ||
| 75 | V | 60.3 | Low | 82.3 | Confident | 183 Ų | 183 | 92.5 Ų | 92.5 | 100% | 1.109 | 52% | 0.52 | S | S | * | . | trans | -129.6 | 0 | 177.5 | -136.2 | 0 | 0 | 0 | 0 | 110.5 | V73 | V73-V75 PolarHBondContact O-N 3.22Š|
Retrieved 75 of 75 residues in 33 ms
(Link to these results)