| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 50.2 | Low | 77.8 | Confident | 241 Ų | 241 | 124.7 Ų | 124.7 | 100% | 1.187 | 63% | 0.63 | S | S | * | * | 0 | 120.6 | 0 | -63.7 | 174.9 | -168.4 | 0 | 0 | 107 | H3 | M1-H3 PolarHBondContact O-N 3.26Å; M1-H3 VanDerWaalsContact O-N 3.16Å | |||
| 2 | A | 65.3 | Low | 78.6 | Confident | 102 Ų | 102 | 125.8 Ų | 125.8 | 84% | 0.843 | 63% | 0.627 | S | S | * | * | trans | -60.8 | 120.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | K4 | A2-K4 PolarHBondContact O-N 2.82Š| ||
| 3 | H | 67.4 | Low | 79.4 | Confident | 162 Ų | 162 | 123 Ų | 123 | 75% | 0.75 | 62% | 0.615 | S | S | * | * | trans | -59.9 | 109.8 | 175.3 | -173.4 | 37 | 0 | 0 | 0 | 107.2 | M1 Q5 | M1-H3 PolarHBondContact O-N 3.26Å; M1-H3 VanDerWaalsContact O-N 3.16Å; H3-Q5 PolarHBondContact O-N 2.88Å | ||
| 4 | K | 76.9 | Confident | 80.3 | Confident | 188 Ų | 188 | 114.4 Ų | 114.4 | 82% | 0.817 | 57% | 0.573 | S | S | * | * | trans | -66.4 | 101.7 | -177.3 | -167.1 | 176.3 | -175.7 | 179.4 | 0 | 107.1 | A2 T6 | A2-K4 PolarHBondContact O-N 2.82Å; K4-T6 PolarHBondContact O-N 2.93Å; K4-T6 VanDerWaalsContact O-N 3.13Å | ||
| 5 | Q | 80.6 | Confident | 81.3 | Confident | 141 Ų | 141 | 111.4 Ų | 111.4 | 66% | 0.659 | 56% | 0.562 | S | S | * | * | trans | -57.3 | 120.2 | 176.7 | -73.5 | -176.5 | -35.7 | 0 | 0 | 108.3 | H3 | H3-Q5 PolarHBondContact O-N 2.88Š| ||
| 6 | T | 86.8 | Confident | 82.2 | Confident | 64 Ų | 64 | 107.7 Ų | 107.7 | 39% | 0.393 | 56% | 0.561 | S | S | . | * | trans | -80.5 | 158.8 | 174.3 | 70.6 | 0 | 0 | 0 | 0 | 109.4 | K4 R8 D9 F10 | K4-T6 PolarHBondContact O-N 2.93Å; K4-T6 VanDerWaalsContact O-N 3.13Å; T6-R8 PolarHBondContact O-N 3.38Å; T6-R8 PolarHBondContact OG1-N 2.86Å; T6-D9 WeakPolarHBondContact CB-OD2 3.44Å; T6-D9 WeakPolarHBondContact CG2-OD2 3.34Å; T6-D9 PolarHBondContact N-OD2 2.85Å; T6-D9 PolarHBondContact O-N 3.3Å; T6-D9 PolarHBondContact OG1-N 2.93Å; T6-D9 VanDerWaalsContact OG1-N 3.17Å; T6-D9 PolarHBondContact OG1-OD2 2.84Å; T6-F10 PolarHBondContact O-N 3.1Å; T6-F10 VanDerWaalsContact O-N 3.12Å | ||
| 7 | P | 82.8 | Confident | 83 | Confident | 110 Ų | 110 | 110 Ų | 110 | 71% | 0.714 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -52 | -37.6 | 170.3 | -28.3 | 36 | 0 | 0 | 0 | 112.1 | D9 F10 L11 | P7-D9 VanDerWaalsContact C-N 3.34Å; P7-D9 PolarHBondContact O-N 2.8Å; P7-F10 WeakPolarHBondContact O-CB 3.18Å; P7-F10 PolarHBondContact O-N 3.26Å; P7-L11 WeakPolarHBondContact O-CG 3.46Å; P7-L11 PolarHBondContact O-N 3.26Å |
| 8 | R | 84.4 | Confident | 83.7 | Confident | 183 Ų | 183 | 108.2 Ų | 108.2 | 69% | 0.691 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.2 | -36.5 | 177.4 | -169.2 | 177 | -174.8 | 173.7 | 1.7 | 112.9 | T6 L11 K12 | T6-R8 PolarHBondContact O-N 3.38Å; T6-R8 PolarHBondContact OG1-N 2.86Å; R8-L11 PolarHBondContact O-N 2.85Å; R8-K12 WeakPolarHBondContact O-CG 3.44Å; R8-K12 PolarHBondContact O-N 2.7Å; R8-K12 VanDerWaalsContact O-N 3.17Å |
| 9 | D | 88.5 | Confident | 84.4 | Confident | 41 Ų | 41 | 102.5 Ų | 102.5 | 22% | 0.219 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -68.3 | -39.5 | 175.8 | -57.7 | -44.8 | 0 | 0 | 0 | 110.7 | T6 P7 L11 K12 L13 | T6-D9 WeakPolarHBondContact CB-OD2 3.44Å; T6-D9 WeakPolarHBondContact CG2-OD2 3.34Å; T6-D9 PolarHBondContact N-OD2 2.85Å; T6-D9 PolarHBondContact O-N 3.3Å; T6-D9 PolarHBondContact OG1-N 2.93Å; T6-D9 VanDerWaalsContact OG1-N 3.17Å; T6-D9 PolarHBondContact OG1-OD2 2.84Å; P7-D9 VanDerWaalsContact C-N 3.34Å; P7-D9 PolarHBondContact O-N 2.8Å; D9-L11 VanDerWaalsContact C-N 3.34Å; D9-L11 PolarHBondContact O-N 2.94Å; D9-K12 PolarHBondContact O-N 2.91Å; D9-L13 WeakPolarHBondContact O-CG 3.15Å; D9-L13 PolarHBondContact O-N 2.87Å |
| 10 | F | 85.5 | Confident | 85.1 | Confident | 86 Ų | 86 | 98.3 Ų | 98.3 | 38% | 0.377 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59 | -44.6 | 171.6 | 173.5 | -104.2 | 0 | 0 | 0 | 111.9 | T6 P7 K12 L13 I14 | T6-F10 PolarHBondContact O-N 3.1Å; T6-F10 VanDerWaalsContact O-N 3.12Å; P7-F10 WeakPolarHBondContact O-CB 3.18Å; P7-F10 PolarHBondContact O-N 3.26Å; F10-K12 VanDerWaalsContact C-N 3.3Å; F10-K12 PolarHBondContact O-N 3.42Å; F10-L13 WeakPolarHBondContact O-CB 3.48Å; F10-L13 PolarHBondContact O-N 2.89Å; F10-I14 HydrophobicContact CD2-CG2 4.43Å; F10-I14 HydrophobicContact CE1-CD1 3.94Å; F10-I14 HydrophobicContact CE1-CG2 4.33Å; F10-I14 HydrophobicContact CE2-CG2 3.84Å; F10-I14 HydrophobicContact CZ-CD1 4.34Å; F10-I14 HydrophobicContact CZ-CG2 3.78Å; F10-I14 PolarHBondContact O-N 3.04Å |
| 11 | L | 87.1 | Confident | 85.7 | Confident | 54 Ų | 54 | 93.6 Ų | 93.6 | 28% | 0.283 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.3 | -42.8 | 177.8 | -60.6 | -170.1 | 0 | 0 | 0 | 111.9 | P7 R8 D9 L13 I14 V15 L36 | P7-L11 WeakPolarHBondContact O-CG 3.46Å; P7-L11 PolarHBondContact O-N 3.26Å; R8-L11 PolarHBondContact O-N 2.85Å; D9-L11 VanDerWaalsContact C-N 3.34Å; D9-L11 PolarHBondContact O-N 2.94Å; L11-L13 VanDerWaalsContact C-N 3.25Å; L11-L13 PolarHBondContact O-N 2.97Å; L11-I14 HydrophobicContact CD2-CD1 4.27Å; L11-I14 WeakPolarHBondContact O-CG1 3.3Å; L11-I14 PolarHBondContact O-N 2.8Å; L11-V15 WeakPolarHBondContact O-CG2 3.4Å; L11-V15 PolarHBondContact O-N 3.1Å; L11-L36 HydrophobicContact CB-CD2 4.25Å; L11-L36 HydrophobicContact CD1-CD2 3.64Å; L11-L36 HydrophobicContact CD1-CG 4.11Å; L11-L36 HydrophobicContact CD2-CD2 3.34Å; L11-L36 HydrophobicContact CG-CD2 3.88Å |
| 12 | K | 87.3 | Confident | 87.9 | Confident | 137 Ų | 137 | 84.3 Ų | 84.3 | 60% | 0.596 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -61.8 | -32.6 | 176.3 | -69.1 | 174.5 | -178.3 | 173.4 | 0 | 112.9 | R8 D9 F10 I14 | R8-K12 WeakPolarHBondContact O-CG 3.44Å; R8-K12 PolarHBondContact O-N 2.7Å; R8-K12 VanDerWaalsContact O-N 3.17Å; D9-K12 PolarHBondContact O-N 2.91Å; F10-K12 VanDerWaalsContact C-N 3.3Å; F10-K12 PolarHBondContact O-N 3.42Å; K12-I14 VanDerWaalsContact C-N 3.31Å |
| 13 | L | 89.4 | Confident | 89.5 | Confident | 90 Ų | 90 | 80.6 Ų | 80.6 | 47% | 0.471 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -70.9 | -27.2 | 179.6 | -68.6 | 172.8 | 0 | 0 | 0 | 113 | D9 F10 L11 R17 | D9-L13 WeakPolarHBondContact O-CG 3.15Å; D9-L13 PolarHBondContact O-N 2.87Å; F10-L13 WeakPolarHBondContact O-CB 3.48Å; F10-L13 PolarHBondContact O-N 2.89Å; L11-L13 VanDerWaalsContact C-N 3.25Å; L11-L13 PolarHBondContact O-N 2.97Å; L13-R17 VanDerWaalsContact O-CD 3.32Å; L13-R17 WeakPolarHBondContact O-CD 3.41Å; L13-R17 PolarHBondContact O-NE 2.69Å |
| 14 | I | 92.2 | Very high | 91 | Very high | 3 Ų | 3 | 77.6 Ų | 77.6 | 2% | 0.015 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -97.3 | -13.8 | -174.9 | 61.8 | 165.1 | 0 | 0 | 0 | 114 | F10 L11 K12 R17 V19 L33 I72 T74 | F10-I14 HydrophobicContact CD2-CG2 4.43Å; F10-I14 HydrophobicContact CE1-CD1 3.94Å; F10-I14 HydrophobicContact CE1-CG2 4.33Å; F10-I14 HydrophobicContact CE2-CG2 3.84Å; F10-I14 HydrophobicContact CZ-CD1 4.34Å; F10-I14 HydrophobicContact CZ-CG2 3.78Å; F10-I14 PolarHBondContact O-N 3.04Å; L11-I14 HydrophobicContact CD2-CD1 4.27Å; L11-I14 WeakPolarHBondContact O-CG1 3.3Å; L11-I14 PolarHBondContact O-N 2.8Å; K12-I14 VanDerWaalsContact C-N 3.31Å; I14-R17 WeakPolarHBondContact O-CB 3.35Å; I14-R17 PolarHBondContact O-N 3.09Å; I14-R17 VanDerWaalsContact O-N 3.09Å; I14-V19 HydrophobicContact CB-CG1 4.39Å; I14-L33 HydrophobicContact CB-CD2 4.36Å; I14-L33 HydrophobicContact CD1-CD2 3.75Å; I14-L33 HydrophobicContact CG1-CD2 3.69Å; I14-I72 HydrophobicContact CD1-CG2 4.11Å; I14-T74 HydrophobicContact CG2-CG2 3.56Å |
| 15 | V | 94.8 | Very high | 91.9 | Very high | 69 Ų | 69 | 73.3 Ų | 73.3 | 42% | 0.418 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 137.2 | 170.6 | 173.3 | 0 | 0 | 0 | 0 | 109.9 | L11 R17 L33 | L11-V15 WeakPolarHBondContact O-CG2 3.4Å; L11-V15 PolarHBondContact O-N 3.1Å; V15-R17 VanDerWaalsContact C-N 3.26Å; V15-R17 PolarHBondContact O-N 2.72Å; V15-L33 HydrophobicContact CG2-CD2 4.18Å; V15-L33 HydrophobicContact CG2-CG 4.43Å |
| 16 | G | 95.8 | Very high | 92.6 | Very high | 52 Ų | 52 | 68.1 Ų | 68.1 | 54% | 0.536 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L33 | G16-L33 WeakPolarHBondContact CA-O 3.26Å; G16-L33 PolarHBondContact N-O 3.47Å |
| 17 | R | 95.9 | Very high | 93.2 | Very high | 147 Ų | 147 | 65.3 Ų | 65.3 | 56% | 0.555 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -109.4 | 154.4 | -179.1 | -56.9 | -168.9 | -177.3 | -122.4 | -5.4 | 112.2 | L13 I14 V15 V19 L33 | L13-R17 VanDerWaalsContact O-CD 3.32Å; L13-R17 WeakPolarHBondContact O-CD 3.41Å; L13-R17 PolarHBondContact O-NE 2.69Å; I14-R17 WeakPolarHBondContact O-CB 3.35Å; I14-R17 PolarHBondContact O-N 3.09Å; I14-R17 VanDerWaalsContact O-N 3.09Å; V15-R17 VanDerWaalsContact C-N 3.26Å; V15-R17 PolarHBondContact O-N 2.72Å; R17-V19 PolarHBondContact O-N 3.28Å; R17-L33 PolarHBondContact O-N 2.86Å |
| 18 | P | 96.6 | Very high | 93.9 | Very high | 77 Ų | 77 | 61.2 Ų | 61.2 | 50% | 0.5 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 126 | 167.1 | -22.5 | 34.2 | 0 | 0 | 0 | 111.4 | G31 Q75 | P18-G31 WeakPolarHBondContact CA-O 3.29Å; P18-Q75 HydrophobicContact CB-CB 4.07Å; P18-Q75 HydrophobicContact CB-CG 3.99Å; P18-Q75 PolarHBondContact O-N 2.93Å; P18-Q75 VanDerWaalsContact O-N 3.16Å |
| 19 | V | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 165.7 | 178.6 | -62.5 | 0 | 0 | 0 | 0 | 111.2 | I14 R17 V21 R30 G31 L33 L44 I72 S73 | I14-V19 HydrophobicContact CB-CG1 4.39Å; R17-V19 PolarHBondContact O-N 3.28Å; V19-V21 HydrophobicContact CG2-CG2 4.22Å; V19-R30 WeakPolarHBondContact O-CA 3.44Å; V19-G31 PolarHBondContact N-O 2.97Å; V19-G31 PolarHBondContact O-N 2.93Å; V19-L33 HydrophobicContact CG1-CB 3.96Å; V19-L33 HydrophobicContact CG1-CD2 4.38Å; V19-L33 HydrophobicContact CG2-CB 3.86Å; V19-L44 HydrophobicContact CG2-CD2 3.65Å; V19-I72 HydrophobicContact CB-CG2 4.28Å; V19-I72 HydrophobicContact CG1-CG2 4.5Å; V19-S73 CarbonylContact C-O 3.55Å; V19-S73 VanDerWaalsContact CA-O 3.29Å; V19-S73 WeakPolarHBondContact CA-O 3.4Å; V19-S73 WeakPolarHBondContact CB-O 3.39Å |
| 20 | V | 97.2 | Very high | 95 | Very high | 18 Ų | 18 | 55 Ų | 55 | 11% | 0.109 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 127.9 | 163.4 | -171.9 | 0 | 0 | 0 | 0 | 108.1 | D28 Y29 R30 I72 S73 Q75 | V20-D28 HydrophobicContact CG1-CB 3.99Å; V20-Y29 CarbonylContact C-O 3.58Å; V20-Y29 WeakPolarHBondContact CA-O 3.22Å; V20-R30 HydrophobicContact CG1-CG 4.33Å; V20-R30 HydrophobicContact CG2-CG 4.2Å; V20-I72 WeakPolarHBondContact O-CA 3.4Å; V20-S73 PolarHBondContact N-O 3.35Å; V20-S73 PolarHBondContact O-N 3.3Å; V20-Q75 HydrophobicContact CG2-CG 3.86Å |
| 21 | V | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 108.6 | 172.3 | -176.7 | 0 | 0 | 0 | 0 | 107.4 | V19 L23 Y29 V42 L44 I64 V69 I72 | V19-V21 HydrophobicContact CG2-CG2 4.22Å; V21-L23 HydrophobicContact CG1-CD2 4.32Å; V21-Y29 PolarHBondContact N-O 3.32Å; V21-Y29 PolarHBondContact O-N 3.26Å; V21-V42 HydrophobicContact CG1-CG2 4.38Å; V21-V42 HydrophobicContact CG2-CG1 4.18Å; V21-V42 HydrophobicContact CG2-CG2 4.47Å; V21-L44 HydrophobicContact CG2-CD1 3.96Å; V21-L44 HydrophobicContact CG2-CD2 4.3Å; V21-I64 HydrophobicContact CB-CD1 4.09Å; V21-I64 HydrophobicContact CG1-CD1 3.89Å; V21-I64 HydrophobicContact CG2-CD1 4.48Å; V21-V69 HydrophobicContact CG1-CB 4.44Å; V21-V69 HydrophobicContact CG1-CG1 3.8Å; V21-V69 HydrophobicContact CG1-CG2 3.87Å; V21-I72 HydrophobicContact CG1-CG1 4.47Å; V21-I72 HydrophobicContact CG2-CG1 4.33Å; V21-I72 HydrophobicContact CG2-CG2 4.44Å |
| 22 | K | 97.9 | Very high | 96 | Very high | 47 Ų | 47 | 50.2 Ų | 50.2 | 20% | 0.204 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 127.5 | 175.4 | -174.3 | 68.6 | 166.5 | -176 | 0 | 108.6 | G26 D28 F70 Y71 | K22-G26 WeakPolarHBondContact CE-O 3.38Å; K22-G26 PolarHBondContact NZ-O 3.43Å; K22-D28 WeakPolarHBondContact CD-OD1 3.41Å; K22-D28 WeakPolarHBondContact CE-OD1 3.45Å; K22-D28 IonicContact NZ-OD1 2.68Å; K22-D28 PolarHBondContact NZ-OD1 2.86Å; K22-F70 HydrophobicContact CB-CB 4.33Å; K22-F70 HydrophobicContact CB-CD1 4.48Å; K22-F70 HydrophobicContact CG-CB 4.16Å; K22-F70 HydrophobicContact CG-CD1 3.94Å; K22-F70 WeakPolarHBondContact O-CB 3.48Å; K22-F70 PolarHBondContact O-N 3.17Å; K22-Y71 HydrophobicContact CB-CD1 3.76Å; K22-Y71 HydrophobicContact CB-CD2 4.03Å; K22-Y71 HydrophobicContact CB-CE1 3.48Å; K22-Y71 VanDerWaalsContact CB-CE1 3.48Å; K22-Y71 HydrophobicContact CB-CE2 3.77Å; K22-Y71 HydrophobicContact CB-CG 4Å; K22-Y71 VanDerWaalsContact CB-CZ 3.48Å; K22-Y71 HydrophobicContact CD-CE1 4.43Å; K22-Y71 HydrophobicContact CG-CD1 4.12Å; K22-Y71 HydrophobicContact CG-CE1 3.6Å; K22-Y71 PolarHBondContact N-O 3.22Å; K22-Y71 PolarHBondContact O-N 3.12Å |
| 23 | L | 98.1 | Very high | 96.5 | Very high | 24 Ų | 24 | 43.7 Ų | 43.7 | 13% | 0.126 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 155.8 | 171.3 | -57.6 | -168.8 | 0 | 0 | 0 | 111.3 | V21 S25 G26 A27 Y29 I64 N68 | V21-L23 HydrophobicContact CG1-CD2 4.32Å; L23-S25 PolarHBondContact O-N 3.36Å; L23-S25 VanDerWaalsContact O-N 3.11Å; L23-G26 PolarHBondContact O-N 3.07Å; L23-A27 HydrophobicContact CD1-CB 4.48Å; L23-A27 PolarHBondContact N-O 2.9Å; L23-Y29 HydrophobicContact CD1-CD2 3.81Å; L23-Y29 HydrophobicContact CD1-CE2 3.47Å; L23-Y29 VanDerWaalsContact CD1-CE2 3.47Å; L23-Y29 HydrophobicContact CG-CD2 3.92Å; L23-Y29 HydrophobicContact CG-CE2 4.09Å; L23-I64 HydrophobicContact CD2-CG2 3.66Å; L23-N68 CarbonylContact C-O 3.52Å; L23-N68 VanDerWaalsContact CA-O 3.26Å; L23-N68 WeakPolarHBondContact CA-O 3.35Å; L23-N68 HydrophobicContact CD2-CB 4.49Å |
| 24 | N | 97.9 | Very high | 96.9 | Very high | 98 Ų | 98 | 42.5 Ų | 42.5 | 52% | 0.524 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -24.1 | 173.3 | -67.7 | -33.2 | 0 | 0 | 0 | 112.9 | G26 N67 N68 F70 | N24-G26 VanDerWaalsContact C-N 3.25Å; N24-G26 PolarHBondContact O-N 2.86Å; N24-N67 PolarHBondContact ND2-O 3.17Å; N24-N67 VanDerWaalsContact ND2-O 3.15Å; N24-N68 PolarHBondContact N-O 3.45Å; N24-N68 PolarHBondContact ND2-O 3.13Å; N24-F70 WeakPolarHBondContact OD1-CB 3.36Å |
| 25 | S | 96.5 | Very high | 97 | Very high | 98 Ų | 98 | 45.4 Ų | 45.4 | 69% | 0.685 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -10.8 | 175.7 | 59.3 | 0 | 0 | 0 | 0 | 114.3 | L23 | L23-S25 PolarHBondContact O-N 3.36Å; L23-S25 VanDerWaalsContact O-N 3.11Å |
| 26 | G | 96.5 | Very high | 97 | Very high | 32 Ų | 32 | 43.5 Ų | 43.5 | 33% | 0.33 | 25% | 0.252 | S | S | . | . | S | Bend | trans | 93 | -4.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | K22 L23 N24 | K22-G26 WeakPolarHBondContact CE-O 3.38Å; K22-G26 PolarHBondContact NZ-O 3.43Å; L23-G26 PolarHBondContact O-N 3.07Å; N24-G26 VanDerWaalsContact C-N 3.25Å; N24-G26 PolarHBondContact O-N 2.86Å |
| 27 | A | 97.9 | Very high | 96.8 | Very high | 5 Ų | 5 | 44 Ų | 44 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -74.6 | 141.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L23 Y29 I51 | L23-A27 HydrophobicContact CD1-CB 4.48Å; L23-A27 PolarHBondContact N-O 2.9Å; A27-Y29 HydrophobicContact CB-CD2 4.44Å; A27-Y29 HydrophobicContact CB-CE2 4Å; A27-I51 HydrophobicContact CB-CG1 4.32Å |
| 28 | D | 97.7 | Very high | 96.6 | Very high | 25 Ų | 25 | 40.9 Ų | 40.9 | 13% | 0.134 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 125.4 | 172.8 | -57.4 | -18.5 | 0 | 0 | 0 | 109.5 | V20 K22 R30 E49 Y50 | V20-D28 HydrophobicContact CG1-CB 3.99Å; K22-D28 WeakPolarHBondContact CD-OD1 3.41Å; K22-D28 WeakPolarHBondContact CE-OD1 3.45Å; K22-D28 IonicContact NZ-OD1 2.68Å; K22-D28 PolarHBondContact NZ-OD1 2.86Å; D28-R30 IonicContact OD2-NH2 3.97Å; D28-E49 WeakPolarHBondContact O-CA 2.97Å; D28-Y50 PolarHBondContact N-O 2.85Å; D28-Y50 PolarHBondContact O-N 3.06Å |
| 29 | Y | 98.1 | Very high | 96.4 | Very high | 30 Ų | 30 | 46.3 Ų | 46.3 | 12% | 0.118 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 122.2 | 170.4 | -78.4 | -111.8 | 0 | 0 | 0 | 108.4 | V20 V21 L23 A27 T47 E48 E49 Y59 T62 I64 | V20-Y29 CarbonylContact C-O 3.58Å; V20-Y29 WeakPolarHBondContact CA-O 3.22Å; V21-Y29 PolarHBondContact N-O 3.32Å; V21-Y29 PolarHBondContact O-N 3.26Å; L23-Y29 HydrophobicContact CD1-CD2 3.81Å; L23-Y29 HydrophobicContact CD1-CE2 3.47Å; L23-Y29 VanDerWaalsContact CD1-CE2 3.47Å; L23-Y29 HydrophobicContact CG-CD2 3.92Å; L23-Y29 HydrophobicContact CG-CE2 4.09Å; A27-Y29 HydrophobicContact CB-CD2 4.44Å; A27-Y29 HydrophobicContact CB-CE2 4Å; Y29-T47 HydrophobicContact CD1-CG2 3.71Å; Y29-T47 HydrophobicContact CG-CG2 4.49Å; Y29-E48 WeakPolarHBondContact CA-O 3.11Å; Y29-E49 HydrophobicContact CE1-CB 4.25Å; Y29-E49 HydrophobicContact CE2-CB 4.39Å; Y29-E49 HydrophobicContact CE2-CG 3.99Å; Y29-E49 VanDerWaalsContact OH-CD 3.28Å; Y29-E49 PolarHBondContact OH-OE1 3.24Å; Y29-Y59 HydrophobicContact CE1-CD2 4.03Å; Y29-Y59 AromaticContact CE1-CE2 3.95Å; Y29-Y59 HydrophobicContact CE1-CE2 3.95Å; Y29-T62 HydrophobicContact CD1-CG2 4.27Å; Y29-T62 HydrophobicContact CE1-CG2 4.33Å; Y29-I64 HydrophobicContact CD1-CD1 4Å; Y29-I64 HydrophobicContact CG-CD1 3.86Å |
| 30 | R | 97.5 | Very high | 96.2 | Very high | 64 Ų | 64 | 49.8 Ų | 49.8 | 24% | 0.242 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 126.9 | -178.5 | -59.2 | -173.7 | -168.9 | 174.1 | -2.8 | 108.3 | V19 V20 D28 T47 E48 Y50 Q75 | V19-R30 WeakPolarHBondContact O-CA 3.44Å; V20-R30 HydrophobicContact CG1-CG 4.33Å; V20-R30 HydrophobicContact CG2-CG 4.2Å; D28-R30 IonicContact OD2-NH2 3.97Å; R30-T47 CarbonylContact O-C 3.59Å; R30-T47 VanDerWaalsContact O-CA 3.29Å; R30-T47 WeakPolarHBondContact O-CA 3.26Å; R30-E48 PolarHBondContact N-O 3.17Å; R30-E48 PolarHBondContact O-N 2.8Å; R30-Y50 HydrophobicContact CB-CD2 4.45Å; R30-Y50 HydrophobicContact CB-CE2 4.16Å; R30-Y50 HydrophobicContact CG-CD2 3.88Å; R30-Y50 HydrophobicContact CG-CE2 3.91Å; R30-Q75 VanDerWaalsContact CD-NE2 3.31Å |
| 31 | G | 97.6 | Very high | 96.2 | Very high | 8 Ų | 8 | 50.7 Ų | 50.7 | 8% | 0.082 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.7 | 176.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112 | P18 V19 E45 | P18-G31 WeakPolarHBondContact CA-O 3.29Å; V19-G31 PolarHBondContact N-O 2.97Å; V19-G31 PolarHBondContact O-N 2.93Å; G31-E45 CarbonylContact C-O 3.58Å; G31-E45 WeakPolarHBondContact CA-O 3.11Å |
| 32 | V | 97.4 | Very high | 96.2 | Very high | 31 Ų | 31 | 50.7 Ų | 50.7 | 19% | 0.188 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 122.5 | 173.7 | -178.3 | 0 | 0 | 0 | 0 | 108.6 | I34 L44 E45 | V32-I34 HydrophobicContact CG1-CD1 4.11Å; V32-I34 PolarHBondContact O-N 2.83Å; V32-L44 CarbonylContact O-C 3.45Å; V32-L44 VanDerWaalsContact O-CA 3.3Å; V32-L44 WeakPolarHBondContact O-CA 3.49Å; V32-E45 HydrophobicContact CB-CB 4.39Å; V32-E45 PolarHBondContact N-O 3.42Å; V32-E45 PolarHBondContact O-N 2.77Å |
| 33 | L | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 116.1 | 179 | -179.6 | 62.2 | 0 | 0 | 0 | 111.1 | I14 V15 G16 R17 V19 S35 L36 V42 L44 | I14-L33 HydrophobicContact CB-CD2 4.36Å; I14-L33 HydrophobicContact CD1-CD2 3.75Å; I14-L33 HydrophobicContact CG1-CD2 3.69Å; V15-L33 HydrophobicContact CG2-CD2 4.18Å; V15-L33 HydrophobicContact CG2-CG 4.43Å; G16-L33 WeakPolarHBondContact CA-O 3.26Å; G16-L33 PolarHBondContact N-O 3.47Å; R17-L33 PolarHBondContact O-N 2.86Å; V19-L33 HydrophobicContact CG1-CB 3.96Å; V19-L33 HydrophobicContact CG1-CD2 4.38Å; V19-L33 HydrophobicContact CG2-CB 3.86Å; L33-S35 WeakPolarHBondContact CD1-O 3.45Å; L33-L36 HydrophobicContact CD1-CB 4.31Å; L33-L36 HydrophobicContact CD2-CB 4.49Å; L33-V42 HydrophobicContact CD1-CG1 3.34Å; L33-L44 HydrophobicContact CB-CD2 4.38Å; L33-L44 HydrophobicContact CD1-CD2 4.1Å |
| 34 | I | 97.4 | Very high | 96.2 | Very high | 64 Ų | 64 | 49.9 Ų | 49.9 | 33% | 0.328 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | -45.6 | 177.5 | -56.3 | -51.8 | 0 | 0 | 0 | 111.4 | V32 V43 E45 | V32-I34 HydrophobicContact CG1-CD1 4.11Å; V32-I34 PolarHBondContact O-N 2.83Å; I34-V43 HydrophobicContact CB-CB 4.25Å; I34-V43 HydrophobicContact CB-CG1 4.02Å; I34-V43 HydrophobicContact CG2-CG1 4.41Å; I34-V43 PolarHBondContact N-O 2.8Å; I34-E45 HydrophobicContact CD1-CB 4.06Å; I34-E45 HydrophobicContact CD1-CG 3.85Å; I34-E45 HydrophobicContact CG1-CB 4Å; I34-E45 HydrophobicContact CG1-CG 3.57Å |
| 35 | S | 95.3 | Very high | 96.2 | Very high | 64 Ų | 64 | 48.8 Ų | 48.8 | 45% | 0.448 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 148.9 | -178.6 | -171 | 0 | 0 | 0 | 0 | 111.5 | L33 V43 | L33-S35 WeakPolarHBondContact CD1-O 3.45Å; S35-V43 PolarHBondContact N-O 3Å; S35-V43 PolarHBondContact O-N 3.11Å |
| 36 | L | 94.1 | Very high | 96.2 | Very high | 29 Ų | 29 | 51.1 Ų | 51.1 | 15% | 0.152 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 133.2 | 177.5 | 178.2 | 63.5 | 0 | 0 | 0 | 109.4 | L11 L33 M40 N41 V42 I72 | L11-L36 HydrophobicContact CB-CD2 4.25Å; L11-L36 HydrophobicContact CD1-CD2 3.64Å; L11-L36 HydrophobicContact CD1-CG 4.11Å; L11-L36 HydrophobicContact CD2-CD2 3.34Å; L11-L36 HydrophobicContact CG-CD2 3.88Å; L33-L36 HydrophobicContact CD1-CB 4.31Å; L33-L36 HydrophobicContact CD2-CB 4.49Å; L36-M40 HydrophobicContact CD1-CB 4.48Å; L36-N41 WeakPolarHBondContact CA-O 3.42Å; L36-V42 HydrophobicContact CD1-CG2 4Å; L36-I72 HydrophobicContact CD1-CD1 3.64Å; L36-I72 HydrophobicContact CD2-CD1 3.86Å; L36-I72 HydrophobicContact CG-CD1 4.44Å |
| 37 | D | 92 | Very high | 96.3 | Very high | 62 Ų | 62 | 49.6 Ų | 49.6 | 33% | 0.332 | 27% | 0.266 | S | S | . | . | trans | -112.2 | 178.9 | 177.4 | 74 | 15.2 | 0 | 0 | 0 | 113.5 | Y39 M40 N41 | D37-Y39 PolarHBondContact O-N 3.06Å; D37-Y39 WeakPolarHBondContact OD1-CA 3.48Å; D37-Y39 WeakPolarHBondContact OD1-CB 3.4Å; D37-Y39 PolarHBondContact OD1-N 3.22Å; D37-M40 PolarHBondContact O-N 3.15Å; D37-M40 PolarHBondContact OD1-N 2.9Å; D37-M40 VanDerWaalsContact OD1-N 3.07Å; D37-N41 PolarHBondContact N-O 2.81Å; D37-N41 PolarHBondContact OD1-N 3.49Å; D37-N41 PolarHBondContact OD1-ND2 3.03Å; D37-N41 WeakPolarHBondContact OD2-CB 3.45Å; D37-N41 PolarHBondContact OD2-ND2 2.86Å | ||
| 38 | G | 90.1 | Very high | 96.3 | Very high | 83 Ų | 83 | 51.7 Ų | 51.7 | 86% | 0.856 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -9.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 39 | Y | 92.9 | Very high | 96.4 | Very high | 190 Ų | 190 | 51.6 Ų | 51.6 | 75% | 0.745 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | 5.5 | 172.1 | -62.5 | -72.5 | 0 | 0 | 0 | 112 | D37 N41 G66 | D37-Y39 PolarHBondContact O-N 3.06Å; D37-Y39 WeakPolarHBondContact OD1-CA 3.48Å; D37-Y39 WeakPolarHBondContact OD1-CB 3.4Å; D37-Y39 PolarHBondContact OD1-N 3.22Å; Y39-N41 VanDerWaalsContact C-N 3.25Å; Y39-N41 PolarHBondContact O-N 3.33Å; Y39-G66 VanDerWaalsContact O-CA 3.32Å; Y39-G66 WeakPolarHBondContact O-CA 3.34Å |
| 40 | M | 93.3 | Very high | 96.4 | Very high | 74 Ų | 74 | 51.8 Ų | 51.8 | 37% | 0.365 | 27% | 0.274 | S | S | . | . | trans | 64.2 | 22.5 | -174.8 | -56.1 | 180 | 60.2 | 0 | 0 | 114.3 | L36 D37 V42 G66 V69 I72 | L36-M40 HydrophobicContact CD1-CB 4.48Å; D37-M40 PolarHBondContact O-N 3.15Å; D37-M40 PolarHBondContact OD1-N 2.9Å; D37-M40 VanDerWaalsContact OD1-N 3.07Å; M40-V42 VanDerWaalsContact O-CG2 3.26Å; M40-V42 WeakPolarHBondContact O-CG2 3.35Å; M40-V42 PolarHBondContact O-N 3.32Å; M40-G66 WeakPolarHBondContact O-CA 3.41Å; M40-V69 HydrophobicContact CE-CB 4.06Å; M40-V69 HydrophobicContact CE-CG1 3.52Å; M40-I72 HydrophobicContact CE-CD1 4.42Å; M40-I72 HydrophobicContact CE-CG1 4.4Å | ||
| 41 | N | 96.5 | Very high | 96.4 | Very high | 37 Ų | 37 | 51.9 Ų | 51.9 | 20% | 0.198 | 28% | 0.279 | C | S | . | . | trans | -66.9 | 131.9 | 168.6 | -60.6 | -54 | 0 | 0 | 0 | 109 | L36 D37 Y39 F63 I64 G66 | L36-N41 WeakPolarHBondContact CA-O 3.42Å; D37-N41 PolarHBondContact N-O 2.81Å; D37-N41 PolarHBondContact OD1-N 3.49Å; D37-N41 PolarHBondContact OD1-ND2 3.03Å; D37-N41 WeakPolarHBondContact OD2-CB 3.45Å; D37-N41 PolarHBondContact OD2-ND2 2.86Å; Y39-N41 VanDerWaalsContact C-N 3.25Å; Y39-N41 PolarHBondContact O-N 3.33Å; N41-F63 HydrophobicContact CB-CE2 3.89Å; N41-F63 HydrophobicContact CB-CZ 4.01Å; N41-I64 WeakPolarHBondContact CA-O 3.29Å; N41-G66 PolarHBondContact OD1-N 3.19Å | ||
| 42 | V | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 132.9 | -172.8 | -162.2 | 0 | 0 | 0 | 0 | 110 | V21 L33 L36 M40 L44 F63 I64 V69 I72 | V21-V42 HydrophobicContact CG1-CG2 4.38Å; V21-V42 HydrophobicContact CG2-CG1 4.18Å; V21-V42 HydrophobicContact CG2-CG2 4.47Å; L33-V42 HydrophobicContact CD1-CG1 3.34Å; L36-V42 HydrophobicContact CD1-CG2 4Å; M40-V42 VanDerWaalsContact O-CG2 3.26Å; M40-V42 WeakPolarHBondContact O-CG2 3.35Å; M40-V42 PolarHBondContact O-N 3.32Å; V42-L44 HydrophobicContact CG1-CD2 3.66Å; V42-L44 HydrophobicContact CG1-CG 3.88Å; V42-F63 CarbonylContact O-C 3.58Å; V42-F63 WeakPolarHBondContact O-CA 3.32Å; V42-I64 HydrophobicContact CB-CB 4.21Å; V42-I64 PolarHBondContact N-O 3.43Å; V42-I64 PolarHBondContact O-N 3.03Å; V42-V69 HydrophobicContact CG2-CG2 4.15Å; V42-I72 HydrophobicContact CG2-CD1 3.93Å |
| 43 | V | 98.1 | Very high | 96 | Very high | 53 Ų | 53 | 59.8 Ų | 59.8 | 32% | 0.321 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 120.7 | 163.2 | -177.4 | 0 | 0 | 0 | 0 | 107.6 | I34 S35 T62 F63 | I34-V43 HydrophobicContact CB-CB 4.25Å; I34-V43 HydrophobicContact CB-CG1 4.02Å; I34-V43 HydrophobicContact CG2-CG1 4.41Å; I34-V43 PolarHBondContact N-O 2.8Å; S35-V43 PolarHBondContact N-O 3Å; S35-V43 PolarHBondContact O-N 3.11Å; V43-T62 WeakPolarHBondContact CA-O 3.36Å; V43-F63 HydrophobicContact CG2-CD2 4.13Å |
| 44 | L | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 148.3 | 175 | -62.4 | -178.5 | 0 | 0 | 0 | 110.3 | V19 V21 V32 L33 V42 T47 D61 T62 I64 | V19-L44 HydrophobicContact CG2-CD2 3.65Å; V21-L44 HydrophobicContact CG2-CD1 3.96Å; V21-L44 HydrophobicContact CG2-CD2 4.3Å; V32-L44 CarbonylContact O-C 3.45Å; V32-L44 VanDerWaalsContact O-CA 3.3Å; V32-L44 WeakPolarHBondContact O-CA 3.49Å; L33-L44 HydrophobicContact CB-CD2 4.38Å; L33-L44 HydrophobicContact CD1-CD2 4.1Å; V42-L44 HydrophobicContact CG1-CD2 3.66Å; V42-L44 HydrophobicContact CG1-CG 3.88Å; L44-T47 HydrophobicContact CB-CG2 4.33Å; L44-T47 WeakPolarHBondContact CB-OG1 3.48Å; L44-T47 HydrophobicContact CD1-CG2 3.94Å; L44-D61 CarbonylContact O-C 3.55Å; L44-D61 WeakPolarHBondContact O-CA 3.39Å; L44-T62 PolarHBondContact N-O 3.19Å; L44-T62 PolarHBondContact O-N 2.97Å; L44-I64 HydrophobicContact CD1-CD1 3.88Å |
| 45 | E | 98.1 | Very high | 96 | Very high | 76 Ų | 76 | 66.3 Ų | 66.3 | 36% | 0.355 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 158.8 | 165.8 | -83.9 | 174.4 | -161.4 | 0 | 0 | 110.6 | G31 V32 I34 T47 G60 | G31-E45 CarbonylContact C-O 3.58Å; G31-E45 WeakPolarHBondContact CA-O 3.11Å; V32-E45 HydrophobicContact CB-CB 4.39Å; V32-E45 PolarHBondContact N-O 3.42Å; V32-E45 PolarHBondContact O-N 2.77Å; I34-E45 HydrophobicContact CD1-CB 4.06Å; I34-E45 HydrophobicContact CD1-CG 3.85Å; I34-E45 HydrophobicContact CG1-CB 4Å; I34-E45 HydrophobicContact CG1-CG 3.57Å; E45-T47 PolarHBondContact O-N 3.29Å; E45-G60 CarbonylContact C-O 3.58Å |
| 46 | Q | 97.3 | Very high | 96.1 | Very high | 147 Ų | 147 | 67.7 Ų | 67.7 | 69% | 0.687 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52.1 | 41.9 | 179.8 | -58.2 | 174.3 | 46.1 | 0 | 0 | 112.1 | G60 | Q46-G60 PolarHBondContact N-O 2.86Å; Q46-G60 VanDerWaalsContact N-O 3.1Å |
| 47 | T | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 132 | -167.2 | -49.7 | 0 | 0 | 0 | 0 | 112.4 | Y29 R30 L44 E45 K58 Y59 G60 T62 | Y29-T47 HydrophobicContact CD1-CG2 3.71Å; Y29-T47 HydrophobicContact CG-CG2 4.49Å; R30-T47 CarbonylContact O-C 3.59Å; R30-T47 VanDerWaalsContact O-CA 3.29Å; R30-T47 WeakPolarHBondContact O-CA 3.26Å; L44-T47 HydrophobicContact CB-CG2 4.33Å; L44-T47 WeakPolarHBondContact CB-OG1 3.48Å; L44-T47 HydrophobicContact CD1-CG2 3.94Å; E45-T47 PolarHBondContact O-N 3.29Å; T47-K58 CarbonylContact O-C 3.55Å; T47-K58 WeakPolarHBondContact O-CA 3.48Å; T47-Y59 PolarHBondContact O-N 2.77Å; T47-G60 WeakPolarHBondContact CB-O 3.18Å; T47-G60 PolarHBondContact N-O 2.71Å; T47-G60 PolarHBondContact OG1-O 2.68Å; T47-T62 VanDerWaalsContact CB-OG1 3.26Å; T47-T62 WeakPolarHBondContact CB-OG1 3.45Å; T47-T62 HydrophobicContact CG2-CG2 4.17Å; T47-T62 WeakPolarHBondContact OG1-CB 3.47Å; T47-T62 PolarHBondContact OG1-OG1 3.34Å |
| 48 | E | 98.1 | Very high | 96.6 | Very high | 49 Ų | 49 | 73.6 Ų | 73.6 | 23% | 0.229 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 134.8 | 174.4 | -63.7 | -172.6 | 152.6 | 0 | 0 | 110.1 | Y29 R30 Y50 L55 N57 K58 | Y29-E48 WeakPolarHBondContact CA-O 3.11Å; R30-E48 PolarHBondContact N-O 3.17Å; R30-E48 PolarHBondContact O-N 2.8Å; E48-Y50 HydrophobicContact CB-CD2 4.35Å; E48-Y50 HydrophobicContact CB-CE2 3.65Å; E48-Y50 PolarHBondContact OE2-OH 3.22Å; E48-L55 HydrophobicContact CB-CD1 3.77Å; E48-L55 HydrophobicContact CG-CD1 4.19Å; E48-N57 WeakPolarHBondContact CA-O 3.26Å; E48-K58 HydrophobicContact CG-CD 4.26Å; E48-K58 HydrophobicContact CG-CG 4.14Å; E48-K58 WeakPolarHBondContact OE1-CE 3.23Å; E48-K58 IonicContact OE1-NZ 2.7Å; E48-K58 PolarHBondContact OE1-NZ 3.45Å |
| 49 | E | 98.3 | Very high | 96.8 | Very high | 22 Ų | 22 | 74.7 Ų | 74.7 | 10% | 0.103 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 132.1 | 176.9 | 170.9 | 179.9 | -130.3 | 0 | 0 | 110.6 | D28 Y29 K56 N57 Y59 | D28-E49 WeakPolarHBondContact O-CA 2.97Å; Y29-E49 HydrophobicContact CE1-CB 4.25Å; Y29-E49 HydrophobicContact CE2-CB 4.39Å; Y29-E49 HydrophobicContact CE2-CG 3.99Å; Y29-E49 VanDerWaalsContact OH-CD 3.28Å; Y29-E49 PolarHBondContact OH-OE1 3.24Å; E49-K56 HydrophobicContact CG-CB 4.42Å; E49-K56 PolarHBondContact O-N 2.89Å; E49-N57 HydrophobicContact CB-CB 4.37Å; E49-N57 PolarHBondContact N-O 3.33Å; E49-N57 PolarHBondContact OE2-ND2 2.93Å; E49-N57 VanDerWaalsContact OE2-ND2 3.1Å; E49-Y59 HydrophobicContact CB-CD2 4.35Å; E49-Y59 HydrophobicContact CB-CE2 3.71Å; E49-Y59 HydrophobicContact CG-CE2 4.48Å; E49-Y59 WeakPolarHBondContact OE2-CE2 3.34Å; E49-Y59 PolarHBondContact OE2-OH 3.11Å |
| 50 | Y | 98.2 | Very high | 96.9 | Very high | 34 Ų | 34 | 67.1 Ų | 67.1 | 13% | 0.133 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 135.4 | 175.4 | -64.5 | -105.5 | 0 | 0 | 0 | 110.9 | D28 R30 E48 Q54 L55 | D28-Y50 PolarHBondContact N-O 2.85Å; D28-Y50 PolarHBondContact O-N 3.06Å; R30-Y50 HydrophobicContact CB-CD2 4.45Å; R30-Y50 HydrophobicContact CB-CE2 4.16Å; R30-Y50 HydrophobicContact CG-CD2 3.88Å; R30-Y50 HydrophobicContact CG-CE2 3.91Å; E48-Y50 HydrophobicContact CB-CD2 4.35Å; E48-Y50 HydrophobicContact CB-CE2 3.65Å; E48-Y50 PolarHBondContact OE2-OH 3.22Å; Y50-Q54 VanDerWaalsContact CA-O 3.23Å; Y50-Q54 WeakPolarHBondContact CA-O 3.49Å; Y50-L55 HydrophobicContact CD1-CB 4.24Å; Y50-L55 HydrophobicContact CE1-CB 3.9Å; Y50-L55 HydrophobicContact CE1-CD1 4.38Å; Y50-L55 HydrophobicContact CE2-CD1 4.07Å |
| 51 | I | 97.6 | Very high | 97.1 | Very high | 66 Ų | 66 | 69.9 Ų | 69.9 | 34% | 0.338 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 127.3 | 170.4 | -57.8 | 179.8 | 0 | 0 | 0 | 106.6 | A27 G53 Q54 K56 | A27-I51 HydrophobicContact CB-CG1 4.32Å; I51-G53 PolarHBondContact O-N 2.98Å; I51-Q54 PolarHBondContact N-O 3.36Å; I51-Q54 PolarHBondContact O-N 3.16Å; I51-K56 HydrophobicContact CB-CG 3.9Å; I51-K56 HydrophobicContact CD1-CG 4.02Å; I51-K56 HydrophobicContact CG1-CG 3.85Å |
| 52 | D | 94.5 | Very high | 97.2 | Very high | 154 Ų | 154 | 69.1 Ų | 69.1 | 82% | 0.824 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 37.6 | -175.7 | -55 | -40.4 | 0 | 0 | 0 | 113.3 | Q54 | D52-Q54 PolarHBondContact O-N 2.85Š|
| 53 | G | 93.2 | Very high | 97.2 | Very high | 52 Ų | 52 | 75.5 Ų | 75.5 | 54% | 0.536 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | -2.2 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | I51 | I51-G53 PolarHBondContact O-N 2.98Š|
| 54 | Q | 97.5 | Very high | 97.2 | Very high | 120 Ų | 120 | 73.4 Ų | 73.4 | 56% | 0.561 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 132.9 | 176.3 | -62.6 | -175.9 | -3.8 | 0 | 0 | 111.2 | Y50 I51 D52 K56 | Y50-Q54 VanDerWaalsContact CA-O 3.23Å; Y50-Q54 WeakPolarHBondContact CA-O 3.49Å; I51-Q54 PolarHBondContact N-O 3.36Å; I51-Q54 PolarHBondContact O-N 3.16Å; D52-Q54 PolarHBondContact O-N 2.85Å; Q54-K56 PolarHBondContact O-N 2.84Å |
| 55 | L | 97.5 | Very high | 97.2 | Very high | 80 Ų | 80 | 81.1 Ų | 81.1 | 42% | 0.419 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 124.6 | 172 | 178.5 | 67.3 | 0 | 0 | 0 | 109.6 | E48 Y50 | E48-L55 HydrophobicContact CB-CD1 3.77Å; E48-L55 HydrophobicContact CG-CD1 4.19Å; Y50-L55 HydrophobicContact CD1-CB 4.24Å; Y50-L55 HydrophobicContact CE1-CB 3.9Å; Y50-L55 HydrophobicContact CE1-CD1 4.38Å; Y50-L55 HydrophobicContact CE2-CD1 4.07Å |
| 56 | K | 97.7 | Very high | 97.2 | Very high | 93 Ų | 93 | 77.8 Ų | 77.8 | 40% | 0.404 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | -46 | 178 | -62.9 | -53.6 | -175 | -172.7 | 0 | 112.3 | E49 I51 Q54 | E49-K56 HydrophobicContact CG-CB 4.42Å; E49-K56 PolarHBondContact O-N 2.89Å; I51-K56 HydrophobicContact CB-CG 3.9Å; I51-K56 HydrophobicContact CD1-CG 4.02Å; I51-K56 HydrophobicContact CG1-CG 3.85Å; Q54-K56 PolarHBondContact O-N 2.84Å |
| 57 | N | 97.6 | Very high | 97.2 | Very high | 77 Ų | 77 | 75.2 Ų | 75.2 | 41% | 0.412 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 163.3 | -175.8 | -72.7 | -55 | 0 | 0 | 0 | 112.6 | E48 E49 Y59 | E48-N57 WeakPolarHBondContact CA-O 3.26Å; E49-N57 HydrophobicContact CB-CB 4.37Å; E49-N57 PolarHBondContact N-O 3.33Å; E49-N57 PolarHBondContact OE2-ND2 2.93Å; E49-N57 VanDerWaalsContact OE2-ND2 3.1Å; N57-Y59 HydrophobicContact CB-CD2 4.31Å; N57-Y59 HydrophobicContact CB-CE1 4.06Å; N57-Y59 HydrophobicContact CB-CE2 3.59Å; N57-Y59 VanDerWaalsContact CB-CZ 3.43Å; N57-Y59 WeakPolarHBondContact CB-OH 3.34Å; N57-Y59 PolarHBondContact ND2-OH 2.95Å |
| 58 | K | 98.2 | Very high | 97.2 | Very high | 139 Ų | 139 | 78.8 Ų | 78.8 | 60% | 0.604 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 128.9 | 168.3 | -51.8 | -161.4 | -176.6 | -151.7 | 0 | 109 | T47 E48 | T47-K58 CarbonylContact O-C 3.55Å; T47-K58 WeakPolarHBondContact O-CA 3.48Å; E48-K58 HydrophobicContact CG-CD 4.26Å; E48-K58 HydrophobicContact CG-CG 4.14Å; E48-K58 WeakPolarHBondContact OE1-CE 3.23Å; E48-K58 IonicContact OE1-NZ 2.7Å; E48-K58 PolarHBondContact OE1-NZ 3.45Å |
| 59 | Y | 93.9 | Very high | 97.1 | Very high | 106 Ų | 106 | 77 Ų | 77 | 42% | 0.416 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | -13.8 | -172.4 | -63.1 | -69.9 | 0 | 0 | 0 | 113.5 | Y29 T47 E49 N57 D61 T62 | Y29-Y59 HydrophobicContact CE1-CD2 4.03Å; Y29-Y59 AromaticContact CE1-CE2 3.95Å; Y29-Y59 HydrophobicContact CE1-CE2 3.95Å; T47-Y59 PolarHBondContact O-N 2.77Å; E49-Y59 HydrophobicContact CB-CD2 4.35Å; E49-Y59 HydrophobicContact CB-CE2 3.71Å; E49-Y59 HydrophobicContact CG-CE2 4.48Å; E49-Y59 WeakPolarHBondContact OE2-CE2 3.34Å; E49-Y59 PolarHBondContact OE2-OH 3.11Å; N57-Y59 HydrophobicContact CB-CD2 4.31Å; N57-Y59 HydrophobicContact CB-CE1 4.06Å; N57-Y59 HydrophobicContact CB-CE2 3.59Å; N57-Y59 VanDerWaalsContact CB-CZ 3.43Å; N57-Y59 WeakPolarHBondContact CB-OH 3.34Å; N57-Y59 PolarHBondContact ND2-OH 2.95Å; Y59-D61 PolarHBondContact O-N 3.2Å; Y59-T62 WeakPolarHBondContact CB-OG1 3.32Å |
| 60 | G | 95.1 | Very high | 97.1 | Very high | 31 Ų | 31 | 82.4 Ų | 82.4 | 32% | 0.32 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 69.2 | -114.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | E45 Q46 T47 | E45-G60 CarbonylContact C-O 3.58Å; Q46-G60 PolarHBondContact N-O 2.86Å; Q46-G60 VanDerWaalsContact N-O 3.1Å; T47-G60 WeakPolarHBondContact CB-O 3.18Å; T47-G60 PolarHBondContact N-O 2.71Å; T47-G60 PolarHBondContact OG1-O 2.68Å |
| 61 | D | 97.6 | Very high | 97 | Very high | 131 Ų | 131 | 85.4 Ų | 85.4 | 70% | 0.701 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 124.3 | 175.2 | -61.9 | 0 | 0 | 0 | 0 | 109.4 | L44 Y59 | L44-D61 CarbonylContact O-C 3.55Å; L44-D61 WeakPolarHBondContact O-CA 3.39Å; Y59-D61 PolarHBondContact O-N 3.2Å |
| 62 | T | 98.1 | Very high | 96.8 | Very high | 21 Ų | 21 | 83.7 Ų | 83.7 | 13% | 0.129 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 128.3 | -173.5 | -59.3 | 0 | 0 | 0 | 0 | 110.9 | Y29 V43 L44 T47 Y59 I64 | Y29-T62 HydrophobicContact CD1-CG2 4.27Å; Y29-T62 HydrophobicContact CE1-CG2 4.33Å; V43-T62 WeakPolarHBondContact CA-O 3.36Å; L44-T62 PolarHBondContact N-O 3.19Å; L44-T62 PolarHBondContact O-N 2.97Å; T47-T62 VanDerWaalsContact CB-OG1 3.26Å; T47-T62 WeakPolarHBondContact CB-OG1 3.45Å; T47-T62 HydrophobicContact CG2-CG2 4.17Å; T47-T62 WeakPolarHBondContact OG1-CB 3.47Å; T47-T62 PolarHBondContact OG1-OG1 3.34Å; Y59-T62 WeakPolarHBondContact CB-OG1 3.32Å; T62-I64 HydrophobicContact CG2-CG1 4.09Å |
| 63 | F | 98.1 | Very high | 96.8 | Very high | 134 Ų | 134 | 78.3 Ų | 78.3 | 59% | 0.588 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 125.3 | 170.4 | 176.3 | -99.4 | 0 | 0 | 0 | 110.1 | N41 V42 V43 R65 | N41-F63 HydrophobicContact CB-CE2 3.89Å; N41-F63 HydrophobicContact CB-CZ 4.01Å; V42-F63 CarbonylContact O-C 3.58Å; V42-F63 WeakPolarHBondContact O-CA 3.32Å; V43-F63 HydrophobicContact CG2-CD2 4.13Å; F63-R65 HydrophobicContact CE1-CB 4.32Å |
| 64 | I | 98.1 | Very high | 96.8 | Very high | 10 Ų | 10 | 79.2 Ų | 79.2 | 5% | 0.051 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 121.8 | 175.9 | -56.4 | 175.2 | 0 | 0 | 0 | 108.3 | V21 L23 Y29 N41 V42 L44 T62 V69 | V21-I64 HydrophobicContact CB-CD1 4.09Å; V21-I64 HydrophobicContact CG1-CD1 3.89Å; V21-I64 HydrophobicContact CG2-CD1 4.48Å; L23-I64 HydrophobicContact CD2-CG2 3.66Å; Y29-I64 HydrophobicContact CD1-CD1 4Å; Y29-I64 HydrophobicContact CG-CD1 3.86Å; N41-I64 WeakPolarHBondContact CA-O 3.29Å; V42-I64 HydrophobicContact CB-CB 4.21Å; V42-I64 PolarHBondContact N-O 3.43Å; V42-I64 PolarHBondContact O-N 3.03Å; L44-I64 HydrophobicContact CD1-CD1 3.88Å; T62-I64 HydrophobicContact CG2-CG1 4.09Å; I64-V69 HydrophobicContact CG2-CG2 3.72Å |
| 65 | R | 98.3 | Very high | 96.2 | Very high | 162 Ų | 162 | 76.5 Ų | 76.5 | 61% | 0.611 | 37% | 0.373 | S | S | * | . | trans | -70.4 | 130 | 174.5 | -165.5 | -175.9 | 170.4 | 178.8 | -2.9 | 110.4 | F63 N67 N68 | F63-R65 HydrophobicContact CE1-CB 4.32Å; R65-N67 VanDerWaalsContact C-N 3.33Å; R65-N67 WeakPolarHBondContact CD-OD1 3.41Å; R65-N67 WeakPolarHBondContact CG-OD1 3.39Å; R65-N67 PolarHBondContact NE-OD1 2.65Å; R65-N67 PolarHBondContact O-N 2.96Å; R65-N68 WeakPolarHBondContact O-CB 3.41Å; R65-N68 PolarHBondContact O-N 3Å | ||
| 66 | G | 97.4 | Very high | 95.2 | Very high | 5 Ų | 5 | 81.1 Ų | 81.1 | 5% | 0.052 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -65.2 | -26.9 | -167.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y39 M40 N41 N68 V69 | Y39-G66 VanDerWaalsContact O-CA 3.32Å; Y39-G66 WeakPolarHBondContact O-CA 3.34Å; M40-G66 WeakPolarHBondContact O-CA 3.41Å; N41-G66 PolarHBondContact OD1-N 3.19Å; G66-N68 PolarHBondContact O-N 3.44Å; G66-N68 VanDerWaalsContact O-N 3.11Å; G66-V69 WeakPolarHBondContact O-CB 2.86Å; G66-V69 PolarHBondContact O-N 3.47Å |
| 67 | N | 97.5 | Very high | 93.3 | Very high | 94 Ų | 94 | 88.1 Ų | 88.1 | 50% | 0.503 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -67.8 | -10.5 | 175.7 | 73 | -75.5 | 0 | 0 | 0 | 113.7 | N24 R65 | N24-N67 PolarHBondContact ND2-O 3.17Å; N24-N67 VanDerWaalsContact ND2-O 3.15Å; R65-N67 VanDerWaalsContact C-N 3.33Å; R65-N67 WeakPolarHBondContact CD-OD1 3.41Å; R65-N67 WeakPolarHBondContact CG-OD1 3.39Å; R65-N67 PolarHBondContact NE-OD1 2.65Å; R65-N67 PolarHBondContact O-N 2.96Å |
| 68 | N | 98 | Very high | 91.2 | Very high | 75 Ų | 75 | 98.9 Ų | 98.9 | 40% | 0.401 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -95.8 | -9.7 | 173.9 | -63.7 | -39.3 | 0 | 0 | 0 | 112.6 | L23 N24 R65 G66 | L23-N68 CarbonylContact C-O 3.52Å; L23-N68 VanDerWaalsContact CA-O 3.26Å; L23-N68 WeakPolarHBondContact CA-O 3.35Å; L23-N68 HydrophobicContact CD2-CB 4.49Å; N24-N68 PolarHBondContact N-O 3.45Å; N24-N68 PolarHBondContact ND2-O 3.13Å; R65-N68 WeakPolarHBondContact O-CB 3.41Å; R65-N68 PolarHBondContact O-N 3Å; G66-N68 PolarHBondContact O-N 3.44Å; G66-N68 VanDerWaalsContact O-N 3.11Å |
| 69 | V | 97.7 | Very high | 90.9 | Very high | 12 Ų | 12 | 96.9 Ų | 96.9 | 7% | 0.073 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 126.2 | -177.3 | -178 | 0 | 0 | 0 | 0 | 109.6 | V21 M40 V42 I64 G66 I72 | V21-V69 HydrophobicContact CG1-CB 4.44Å; V21-V69 HydrophobicContact CG1-CG1 3.8Å; V21-V69 HydrophobicContact CG1-CG2 3.87Å; M40-V69 HydrophobicContact CE-CB 4.06Å; M40-V69 HydrophobicContact CE-CG1 3.52Å; V42-V69 HydrophobicContact CG2-CG2 4.15Å; I64-V69 HydrophobicContact CG2-CG2 3.72Å; G66-V69 WeakPolarHBondContact O-CB 2.86Å; G66-V69 PolarHBondContact O-N 3.47Å; V69-I72 HydrophobicContact CG1-CD1 4.47Å; V69-I72 HydrophobicContact CG1-CG1 3.9Å |
| 70 | F | 97.5 | Very high | 90.7 | Very high | 135 Ų | 135 | 96.4 Ų | 96.4 | 59% | 0.592 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | -50.7 | 173.6 | -175.2 | -117 | 0 | 0 | 0 | 111.2 | K22 N24 | K22-F70 HydrophobicContact CB-CB 4.33Å; K22-F70 HydrophobicContact CB-CD1 4.48Å; K22-F70 HydrophobicContact CG-CB 4.16Å; K22-F70 HydrophobicContact CG-CD1 3.94Å; K22-F70 WeakPolarHBondContact O-CB 3.48Å; K22-F70 PolarHBondContact O-N 3.17Å; N24-F70 WeakPolarHBondContact OD1-CB 3.36Å |
| 71 | Y | 95.3 | Very high | 90.5 | Very high | 97 Ų | 97 | 100.1 Ų | 100.1 | 38% | 0.38 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 164.7 | 170.1 | 67.9 | -106.1 | 0 | 0 | 0 | 112 | K22 | K22-Y71 HydrophobicContact CB-CD1 3.76Å; K22-Y71 HydrophobicContact CB-CD2 4.03Å; K22-Y71 HydrophobicContact CB-CE1 3.48Å; K22-Y71 VanDerWaalsContact CB-CE1 3.48Å; K22-Y71 HydrophobicContact CB-CE2 3.77Å; K22-Y71 HydrophobicContact CB-CG 4Å; K22-Y71 VanDerWaalsContact CB-CZ 3.48Å; K22-Y71 HydrophobicContact CD-CE1 4.43Å; K22-Y71 HydrophobicContact CG-CD1 4.12Å; K22-Y71 HydrophobicContact CG-CE1 3.6Å; K22-Y71 PolarHBondContact N-O 3.22Å; K22-Y71 PolarHBondContact O-N 3.12Å |
| 72 | I | 94.9 | Very high | 90.1 | Very high | 30 Ų | 30 | 98.2 Ų | 98.2 | 15% | 0.154 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 131.2 | 170 | -54 | 175.6 | 0 | 0 | 0 | 108 | I14 V19 V20 V21 L36 M40 V42 V69 | I14-I72 HydrophobicContact CD1-CG2 4.11Å; V19-I72 HydrophobicContact CB-CG2 4.28Å; V19-I72 HydrophobicContact CG1-CG2 4.5Å; V20-I72 WeakPolarHBondContact O-CA 3.4Å; V21-I72 HydrophobicContact CG1-CG1 4.47Å; V21-I72 HydrophobicContact CG2-CG1 4.33Å; V21-I72 HydrophobicContact CG2-CG2 4.44Å; L36-I72 HydrophobicContact CD1-CD1 3.64Å; L36-I72 HydrophobicContact CD2-CD1 3.86Å; L36-I72 HydrophobicContact CG-CD1 4.44Å; M40-I72 HydrophobicContact CE-CD1 4.42Å; M40-I72 HydrophobicContact CE-CG1 4.4Å; V42-I72 HydrophobicContact CG2-CD1 3.93Å; V69-I72 HydrophobicContact CG1-CD1 4.47Å; V69-I72 HydrophobicContact CG1-CG1 3.9Å |
| 73 | S | 94.4 | Very high | 89.6 | Confident | 40 Ų | 40 | 103.1 Ų | 103.1 | 28% | 0.28 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 153.7 | 176.7 | 70.2 | 0 | 0 | 0 | 0 | 111.5 | V19 V20 | V19-S73 CarbonylContact C-O 3.55Å; V19-S73 VanDerWaalsContact CA-O 3.29Å; V19-S73 WeakPolarHBondContact CA-O 3.4Å; V19-S73 WeakPolarHBondContact CB-O 3.39Å; V20-S73 PolarHBondContact N-O 3.35Å; V20-S73 PolarHBondContact O-N 3.3Å |
| 74 | T | 92.6 | Very high | 89 | Confident | 72 Ų | 72 | 101 Ų | 101 | 44% | 0.442 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 138 | 169 | 54.5 | 0 | 0 | 0 | 0 | 109.5 | I14 K76 | I14-T74 HydrophobicContact CG2-CG2 3.56Å; T74-K76 PolarHBondContact O-N 3.16Å |
| 75 | Q | 84.7 | Confident | 88.3 | Confident | 63 Ų | 63 | 107.5 Ų | 107.5 | 29% | 0.294 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -60 | 129.8 | 164.7 | -78.5 | -111.1 | 1.5 | 0 | 0 | 109.7 | P18 V20 R30 R77 | P18-Q75 HydrophobicContact CB-CB 4.07Å; P18-Q75 HydrophobicContact CB-CG 3.99Å; P18-Q75 PolarHBondContact O-N 2.93Å; P18-Q75 VanDerWaalsContact O-N 3.16Å; V20-Q75 HydrophobicContact CG2-CG 3.86Å; R30-Q75 VanDerWaalsContact CD-NE2 3.31Å; Q75-R77 PolarHBondContact O-N 2.95Å |
| 76 | K | 77.4 | Confident | 87.6 | Confident | 176 Ų | 176 | 103.3 Ų | 103.3 | 77% | 0.765 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 124 | 168.5 | -94.4 | -175.8 | 175.2 | 179.8 | 0 | 108.3 | T74 | T74-K76 PolarHBondContact O-N 3.16Š|
| 77 | R | 57.8 | Low | 86.8 | Confident | 241 Ų | 241 | 111.5 Ų | 111.5 | 91% | 0.909 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -74.3 | 121.6 | 162.5 | -75.2 | 177.2 | 68.9 | -148.5 | 2.6 | 107.4 | Q75 | Q75-R77 PolarHBondContact O-N 2.95Š|
| 78 | W | 53.3 | Low | 85.8 | Confident | 303 Ų | 303 | 113.1 Ų | 113.1 | 100% | 1.148 | 49% | 0.494 | S | S | * | . | trans | -72.5 | 0 | 165.4 | -35.1 | 86 | 0 | 0 | 0 | 109.4 |
Retrieved 78 of 78 residues in 73.3 ms
(Link to these results)