| 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 | 71.4 | Confident | 92.6 | Very high | 218 Ų | 218 | 98.5 Ų | 98.5 | 100% | 1.074 | 50% | 0.496 | S | S | * | . | 0 | -52.4 | 0 | -167.6 | 168.4 | -179.8 | 0 | 0 | 110.1 | T3 K4 | M1-T3 VanDerWaalsContact C-N 3.3Å; M1-T3 PolarHBondContact O-N 3.13Å; M1-K4 PolarHBondContact O-N 3.5Å; M1-K4 VanDerWaalsContact O-N 3.11Å | |||
| 2 | E | 86.1 | Confident | 93 | Very high | 128 Ų | 128 | 95.8 Ų | 95.8 | 60% | 0.598 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -53.7 | -38.4 | 175.1 | -164.9 | 179.2 | 169 | 0 | 0 | 114.4 | K4 L5 L6 | E2-K4 PolarHBondContact O-N 3.48Å; E2-K4 VanDerWaalsContact O-N 3.13Å; E2-L5 WeakPolarHBondContact O-CA 3.49Å; E2-L5 WeakPolarHBondContact O-CB 3.44Å; E2-L5 PolarHBondContact O-N 3.11Å; E2-L6 HydrophobicContact CG-CD1 4.03Å; E2-L6 HydrophobicContact CG-CG 4.25Å; E2-L6 WeakPolarHBondContact O-CG 3.27Å; E2-L6 PolarHBondContact O-N 3.28Å |
| 3 | T | 91.5 | Very high | 93.1 | Very high | 120 Ų | 120 | 90.2 Ų | 90.2 | 74% | 0.736 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -54.4 | -36.4 | 176.7 | -39.4 | 0 | 0 | 0 | 0 | 113.2 | M1 G7 | M1-T3 VanDerWaalsContact C-N 3.3Å; M1-T3 PolarHBondContact O-N 3.13Å; T3-G7 PolarHBondContact O-N 2.98Å |
| 4 | K | 95.7 | Very high | 93.3 | Very high | 161 Ų | 161 | 90.1 Ų | 90.1 | 70% | 0.7 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -74.1 | -37.8 | 178.7 | -169.3 | 177.4 | -178.7 | -177.2 | 0 | 111.3 | M1 E2 G7 N8 | M1-K4 PolarHBondContact O-N 3.5Å; M1-K4 VanDerWaalsContact O-N 3.11Å; E2-K4 PolarHBondContact O-N 3.48Å; E2-K4 VanDerWaalsContact O-N 3.13Å; K4-G7 PolarHBondContact O-N 3.14Å; K4-N8 VanDerWaalsContact O-CG 3.31Å; K4-N8 PolarHBondContact O-N 3.34Å; K4-N8 PolarHBondContact O-ND2 3.47Å |
| 5 | L | 95 | Very high | 93.5 | Very high | 55 Ų | 55 | 89.5 Ų | 89.5 | 29% | 0.288 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.7 | -51.9 | 174.8 | 177.5 | 59.4 | 0 | 0 | 0 | 110.5 | E2 G7 N8 L9 I31 A32 | E2-L5 WeakPolarHBondContact O-CA 3.49Å; E2-L5 WeakPolarHBondContact O-CB 3.44Å; E2-L5 PolarHBondContact O-N 3.11Å; L5-G7 VanDerWaalsContact C-N 3.28Å; L5-G7 PolarHBondContact O-N 2.65Å; L5-N8 WeakPolarHBondContact O-CA 3.5Å; L5-N8 WeakPolarHBondContact O-CB 3.44Å; L5-N8 PolarHBondContact O-N 2.98Å; L5-L9 HydrophobicContact CD1-CG 4.37Å; L5-L9 HydrophobicContact CG-CD1 4.45Å; L5-L9 WeakPolarHBondContact O-CG 3.45Å; L5-L9 PolarHBondContact O-N 3.5Å; L5-I31 HydrophobicContact CD2-CG2 4.02Å; L5-A32 HydrophobicContact CD2-CB 3.75Å; L5-A32 HydrophobicContact CG-CB 4.23Å |
| 6 | L | 95.6 | Very high | 93.6 | Very high | 67 Ų | 67 | 92.1 Ų | 92.1 | 35% | 0.351 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.1 | -39.7 | 177.4 | -66.3 | 173.6 | 0 | 0 | 0 | 112 | E2 N8 L9 S10 A32 | E2-L6 HydrophobicContact CG-CD1 4.03Å; E2-L6 HydrophobicContact CG-CG 4.25Å; E2-L6 WeakPolarHBondContact O-CG 3.27Å; E2-L6 PolarHBondContact O-N 3.28Å; L6-N8 VanDerWaalsContact C-N 3.32Å; L6-N8 PolarHBondContact O-N 3.33Å; L6-L9 PolarHBondContact O-N 2.88Å; L6-S10 WeakPolarHBondContact O-CB 3.48Å; L6-S10 PolarHBondContact O-N 3Å; L6-S10 PolarHBondContact O-OG 2.89Å; L6-A32 HydrophobicContact CD2-CB 4.17Å |
| 7 | G | 97 | Very high | 93.8 | Very high | 28 Ų | 28 | 92.8 Ų | 92.8 | 29% | 0.289 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65 | -31.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | T3 K4 L5 S10 R11 | T3-G7 PolarHBondContact O-N 2.98Å; K4-G7 PolarHBondContact O-N 3.14Å; L5-G7 VanDerWaalsContact C-N 3.28Å; L5-G7 PolarHBondContact O-N 2.65Å; G7-S10 PolarHBondContact O-OG 3.39Å; G7-R11 WeakPolarHBondContact O-CD 3.49Å; G7-R11 VanDerWaalsContact O-CG 3.24Å; G7-R11 WeakPolarHBondContact O-CG 3.24Å; G7-R11 PolarHBondContact O-N 3.01Å |
| 8 | N | 96.5 | Very high | 94 | Very high | 72 Ų | 72 | 88.6 Ų | 88.6 | 39% | 0.385 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -74.9 | -41.8 | 173 | -73.3 | -21 | 0 | 0 | 0 | 111.5 | K4 L5 L6 S10 R11 V12 | K4-N8 VanDerWaalsContact O-CG 3.31Å; K4-N8 PolarHBondContact O-N 3.34Å; K4-N8 PolarHBondContact O-ND2 3.47Å; L5-N8 WeakPolarHBondContact O-CA 3.5Å; L5-N8 WeakPolarHBondContact O-CB 3.44Å; L5-N8 PolarHBondContact O-N 2.98Å; L6-N8 VanDerWaalsContact C-N 3.32Å; L6-N8 PolarHBondContact O-N 3.33Å; N8-S10 VanDerWaalsContact C-N 3.33Å; N8-S10 PolarHBondContact O-N 2.85Å; N8-R11 WeakPolarHBondContact O-CB 3.39Å; N8-R11 PolarHBondContact O-N 2.94Å; N8-V12 WeakPolarHBondContact O-CG2 3.47Å; N8-V12 PolarHBondContact O-N 2.99Å |
| 9 | L | 97 | Very high | 94.1 | Very high | 7 Ų | 7 | 87.5 Ų | 87.5 | 4% | 0.037 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -60.4 | -43.4 | 175.9 | -66 | -176.9 | 0 | 0 | 0 | 111.4 | L5 L6 R11 V12 S13 V21 A32 H34 | L5-L9 HydrophobicContact CD1-CG 4.37Å; L5-L9 HydrophobicContact CG-CD1 4.45Å; L5-L9 WeakPolarHBondContact O-CG 3.45Å; L5-L9 PolarHBondContact O-N 3.5Å; L6-L9 PolarHBondContact O-N 2.88Å; L9-R11 VanDerWaalsContact C-N 3.32Å; L9-R11 PolarHBondContact O-N 2.85Å; L9-V12 PolarHBondContact O-N 3.5Å; L9-S13 WeakPolarHBondContact O-CB 3.48Å; L9-S13 PolarHBondContact O-N 2.99Å; L9-S13 PolarHBondContact O-OG 3.12Å; L9-V21 HydrophobicContact CD2-CB 4.2Å; L9-V21 HydrophobicContact CD2-CG1 3.62Å; L9-A32 HydrophobicContact CD1-CB 3.7Å; L9-H34 HydrophobicContact CB-CB 3.9Å |
| 10 | S | 96.2 | Very high | 94.2 | Very high | 44 Ų | 44 | 83.2 Ų | 83.2 | 31% | 0.308 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 177.4 | 72.2 | 0 | 0 | 0 | 0 | 111.7 | L6 G7 N8 V12 S13 S14 | L6-S10 WeakPolarHBondContact O-CB 3.48Å; L6-S10 PolarHBondContact O-N 3Å; L6-S10 PolarHBondContact O-OG 2.89Å; G7-S10 PolarHBondContact O-OG 3.39Å; N8-S10 VanDerWaalsContact C-N 3.33Å; N8-S10 PolarHBondContact O-N 2.85Å; S10-V12 PolarHBondContact O-N 3.09Å; S10-S13 WeakPolarHBondContact CA-OG 3.41Å; S10-S13 CarbonylContact O-C 3.57Å; S10-S13 PolarHBondContact O-N 3.47Å; S10-S13 PolarHBondContact O-OG 2.82Å; S10-S14 PolarHBondContact O-N 3.37Å |
| 11 | R | 97.2 | Very high | 94.4 | Very high | 184 Ų | 184 | 79.2 Ų | 79.2 | 69% | 0.694 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -64 | -33.8 | 174.9 | -72.6 | 172.8 | 68.6 | -165.7 | 2.5 | 113.8 | G7 N8 L9 S14 | G7-R11 WeakPolarHBondContact O-CD 3.49Å; G7-R11 VanDerWaalsContact O-CG 3.24Å; G7-R11 WeakPolarHBondContact O-CG 3.24Å; G7-R11 PolarHBondContact O-N 3.01Å; N8-R11 WeakPolarHBondContact O-CB 3.39Å; N8-R11 PolarHBondContact O-N 2.94Å; L9-R11 VanDerWaalsContact C-N 3.32Å; L9-R11 PolarHBondContact O-N 2.85Å; R11-S14 PolarHBondContact O-OG 2.96Å |
| 12 | V | 96.5 | Very high | 95.6 | Very high | 66 Ų | 66 | 68.9 Ų | 68.9 | 40% | 0.4 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -71.8 | -44.3 | 173.8 | 177.8 | 0 | 0 | 0 | 0 | 109.7 | N8 L9 S10 S14 N15 V21 V85 | N8-V12 WeakPolarHBondContact O-CG2 3.47Å; N8-V12 PolarHBondContact O-N 2.99Å; L9-V12 PolarHBondContact O-N 3.5Å; S10-V12 PolarHBondContact O-N 3.09Å; V12-S14 PolarHBondContact O-N 2.9Å; V12-N15 WeakPolarHBondContact O-CB 3.3Å; V12-N15 PolarHBondContact O-N 3.15Å; V12-V21 HydrophobicContact CB-CG2 4Å; V12-V21 HydrophobicContact CG1-CG1 4.43Å; V12-V21 HydrophobicContact CG1-CG2 3.6Å; V12-V85 HydrophobicContact CG1-CG1 4.48Å; V12-V85 HydrophobicContact CG1-CG2 4.27Å |
| 13 | S | 95.2 | Very high | 96.1 | Very high | 22 Ų | 22 | 63.1 Ų | 63.1 | 15% | 0.154 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.5 | -16.1 | 179.8 | 76.5 | 0 | 0 | 0 | 0 | 114.3 | L9 S10 N15 H34 | L9-S13 WeakPolarHBondContact O-CB 3.48Å; L9-S13 PolarHBondContact O-N 2.99Å; L9-S13 PolarHBondContact O-OG 3.12Å; S10-S13 WeakPolarHBondContact CA-OG 3.41Å; S10-S13 CarbonylContact O-C 3.57Å; S10-S13 PolarHBondContact O-N 3.47Å; S10-S13 PolarHBondContact O-OG 2.82Å; S13-N15 PolarHBondContact O-N 3.25Å; S13-H34 WeakPolarHBondContact CB-ND1 3.43Å; S13-H34 PolarHBondContact OG-CE1 2.83Å; S13-H34 PolarHBondContact OG-ND1 2.82Å |
| 14 | S | 95.8 | Very high | 96.4 | Very high | 90 Ų | 90 | 57.4 Ų | 57.4 | 63% | 0.629 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -8.1 | 175.4 | 65.5 | 0 | 0 | 0 | 0 | 113.3 | S10 R11 V12 | S10-S14 PolarHBondContact O-N 3.37Å; R11-S14 PolarHBondContact O-OG 2.96Å; V12-S14 PolarHBondContact O-N 2.9Å |
| 15 | N | 96.3 | Very high | 96.4 | Very high | 81 Ų | 81 | 51.7 Ų | 51.7 | 43% | 0.433 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -68 | 127.1 | 169.6 | -174.9 | -57.4 | 0 | 0 | 0 | 109.5 | V12 S13 K17 V18 | V12-N15 WeakPolarHBondContact O-CB 3.3Å; V12-N15 PolarHBondContact O-N 3.15Å; S13-N15 PolarHBondContact O-N 3.25Å; N15-K17 PolarHBondContact O-N 2.69Å; N15-K17 PolarHBondContact OD1-N 2.91Å; N15-K17 VanDerWaalsContact OD1-N 3.1Å; N15-V18 HydrophobicContact CB-CB 4.21Å; N15-V18 HydrophobicContact CB-CG2 3.74Å; N15-V18 PolarHBondContact O-N 3.49Å |
| 16 | P | 95.2 | Very high | 96.4 | Very high | 131 Ų | 131 | 52.4 Ų | 52.4 | 85% | 0.851 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -24.9 | -173.3 | -27.3 | 34.3 | 0 | 0 | 0 | 115.8 | ||
| 17 | K | 96.1 | Very high | 96.4 | Very high | 104 Ų | 104 | 55.4 Ų | 55.4 | 45% | 0.452 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -14.7 | 178.4 | -68.3 | -165.1 | 175.1 | -160.8 | 0 | 113.4 | N15 K87 N88 Q89 | N15-K17 PolarHBondContact O-N 2.69Å; N15-K17 PolarHBondContact OD1-N 2.91Å; N15-K17 VanDerWaalsContact OD1-N 3.1Å; K17-K87 CarbonylContact O-C 3.39Å; K17-K87 WeakPolarHBondContact O-CA 3.47Å; K17-N88 PolarHBondContact O-N 3.46Å; K17-Q89 PolarHBondContact NZ-OXT 3.35Å |
| 18 | V | 97.5 | Very high | 96.4 | Very high | 17 Ų | 17 | 54.4 Ų | 54.4 | 10% | 0.103 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 121.1 | -179.4 | 176.5 | 0 | 0 | 0 | 0 | 108.8 | N15 V21 V85 H86 K87 | N15-V18 HydrophobicContact CB-CB 4.21Å; N15-V18 HydrophobicContact CB-CG2 3.74Å; N15-V18 PolarHBondContact O-N 3.49Å; V18-V21 HydrophobicContact CG1-CG2 3.64Å; V18-V85 HydrophobicContact CG1-CG1 3.89Å; V18-V85 HydrophobicContact CG2-CG1 3.81Å; V18-H86 CarbonylContact C-O 3.55Å; V18-H86 WeakPolarHBondContact CA-O 3.21Å; V18-K87 HydrophobicContact CG2-CD 4.42Å; V18-K87 HydrophobicContact CG2-CG 3.99Å |
| 19 | T | 96.3 | Very high | 96.3 | Very high | 67 Ų | 67 | 56.2 Ų | 56.2 | 41% | 0.411 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | -30.4 | -179.3 | 52.4 | 0 | 0 | 0 | 0 | 112.3 | H86 N88 | T19-H86 PolarHBondContact N-O 2.85Å; T19-H86 PolarHBondContact OG1-O 2.83Å; T19-N88 WeakPolarHBondContact CG2-ND2 3.45Å |
| 20 | A | 97 | Very high | 96.3 | Very high | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.008 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 158 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | H34 V37 H86 | A20-H34 CarbonylContact C-O 3.57Å; A20-H34 VanDerWaalsContact CA-O 3.23Å; A20-H34 WeakPolarHBondContact CA-O 3.49Å; A20-V37 HydrophobicContact CB-CG1 3.65Å; A20-H86 HydrophobicContact CB-CB 4.34Å; A20-H86 PolarHBondContact O-N 2.8Å |
| 21 | V | 97.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 139.5 | 172.5 | -169.2 | 0 | 0 | 0 | 0 | 108.5 | L9 V12 V18 S33 H34 T83 V84 V85 | L9-V21 HydrophobicContact CD2-CB 4.2Å; L9-V21 HydrophobicContact CD2-CG1 3.62Å; V12-V21 HydrophobicContact CB-CG2 4Å; V12-V21 HydrophobicContact CG1-CG1 4.43Å; V12-V21 HydrophobicContact CG1-CG2 3.6Å; V18-V21 HydrophobicContact CG1-CG2 3.64Å; V21-S33 CarbonylContact O-C 3.59Å; V21-S33 VanDerWaalsContact O-CA 3.22Å; V21-S33 WeakPolarHBondContact O-CA 3.49Å; V21-H34 PolarHBondContact N-O 2.65Å; V21-H34 PolarHBondContact O-N 3.36Å; V21-T83 HydrophobicContact CG1-CG2 4.19Å; V21-V84 CarbonylContact C-O 3.59Å; V21-V84 VanDerWaalsContact CA-O 3.29Å; V21-V84 WeakPolarHBondContact CA-O 3.42Å; V21-V85 HydrophobicContact CG1-CG2 4.2Å; V21-V85 HydrophobicContact CG2-CG1 4.49Å |
| 22 | Q | 96.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 147.3 | 173 | 56.6 | -179.2 | -38 | 0 | 0 | 111.5 | I24 A32 V37 V84 H86 | Q22-I24 HydrophobicContact CG-CD1 4.39Å; Q22-I24 HydrophobicContact CG-CG1 4.45Å; Q22-A32 CarbonylContact C-O 3.58Å; Q22-A32 WeakPolarHBondContact CA-O 3.47Å; Q22-V37 HydrophobicContact CB-CG1 4.31Å; Q22-V37 HydrophobicContact CG-CG1 4.3Å; Q22-V84 HydrophobicContact CG-CB 3.79Å; Q22-V84 HydrophobicContact CG-CG2 4.21Å; Q22-V84 PolarHBondContact N-O 2.84Å; Q22-V84 PolarHBondContact O-N 3.41Å; Q22-H86 PolarHBondContact NE2-NE2 3.25Å |
| 23 | C | 96.9 | Very high | 96.1 | Very high | 8 Ų | 8 | 49.9 Ų | 49.9 | 5% | 0.054 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 131.5 | 170.5 | -69.2 | 0 | 0 | 0 | 0 | 108.8 | I31 A32 V81 L82 | C23-I31 HydrophobicContact CB-CB 4.32Å; C23-I31 PolarHBondContact O-N 3.07Å; C23-A32 PolarHBondContact N-O 2.95Å; C23-V81 HydrophobicContact CB-CG1 3.87Å; C23-L82 CarbonylContact C-O 3.58Å; C23-L82 WeakPolarHBondContact CA-O 3.5Å |
| 24 | I | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 136.1 | -175.2 | -55.3 | 165.9 | 0 | 0 | 0 | 107.8 | Q22 L29 A42 L45 L82 V84 | Q22-I24 HydrophobicContact CG-CD1 4.39Å; Q22-I24 HydrophobicContact CG-CG1 4.45Å; I24-L29 CarbonylContact C-O 3.59Å; I24-L29 VanDerWaalsContact CA-O 3.3Å; I24-L29 WeakPolarHBondContact CA-O 3.38Å; I24-A42 HydrophobicContact CD1-CB 3.94Å; I24-A42 HydrophobicContact CG1-CB 3.94Å; I24-A42 HydrophobicContact CG2-CB 4.12Å; I24-L45 HydrophobicContact CD1-CB 4.07Å; I24-L45 HydrophobicContact CD1-CD1 4.31Å; I24-L82 HydrophobicContact CB-CB 4.26Å; I24-L82 HydrophobicContact CD1-CD2 4.35Å; I24-L82 PolarHBondContact N-O 3.1Å; I24-L82 PolarHBondContact O-N 2.89Å; I24-V84 HydrophobicContact CD1-CG2 3.68Å |
| 25 | D | 96.2 | Very high | 96 | Very high | 40 Ų | 40 | 50.5 Ų | 50.5 | 21% | 0.214 | 30% | 0.297 | C | S | . | . | trans | -80.3 | 179.9 | 176.8 | 68.3 | 19.4 | 0 | 0 | 0 | 113.1 | D27 G28 L29 I31 | D25-D27 PolarHBondContact O-N 3.46Å; D25-D27 WeakPolarHBondContact OD1-CA 3.43Å; D25-D27 PolarHBondContact OD1-N 2.79Å; D25-G28 PolarHBondContact O-N 2.91Å; D25-G28 VanDerWaalsContact O-N 3.15Å; D25-G28 PolarHBondContact OD1-N 2.92Å; D25-L29 PolarHBondContact N-O 3.4Å; D25-L29 PolarHBondContact OD1-N 3.17Å; D25-L29 WeakPolarHBondContact OD2-CB 3.29Å; D25-I31 HydrophobicContact CB-CD1 3.94Å; D25-I31 HydrophobicContact CB-CG1 4.01Å | ||
| 26 | S | 94.9 | Very high | 95.7 | Very high | 70 Ų | 70 | 53.3 Ų | 53.3 | 49% | 0.49 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -19.7 | 178.3 | 55 | 0 | 0 | 0 | 0 | 114 | K50 G80 | S26-K50 WeakPolarHBondContact O-CE 3.37Å; S26-K50 PolarHBondContact O-NZ 3.44Å; S26-G80 PolarHBondContact N-O 3.24Å |
| 27 | D | 95.3 | Very high | 95.4 | Very high | 131 Ų | 131 | 48.5 Ų | 48.5 | 70% | 0.701 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -4 | 178.8 | -63.6 | -38 | 0 | 0 | 0 | 112.1 | D25 L29 | D25-D27 PolarHBondContact O-N 3.46Å; D25-D27 WeakPolarHBondContact OD1-CA 3.43Å; D25-D27 PolarHBondContact OD1-N 2.79Å; D27-L29 HydrophobicContact CB-CG 4.49Å |
| 28 | G | 96 | Very high | 95.1 | Very high | 7 Ų | 7 | 47.6 Ų | 47.6 | 7% | 0.072 | 29% | 0.285 | C | S | . | . | S | Bend | trans | 86.6 | 18.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D25 A42 G43 | D25-G28 PolarHBondContact O-N 2.91Å; D25-G28 VanDerWaalsContact O-N 3.15Å; D25-G28 PolarHBondContact OD1-N 2.92Å; G28-A42 CarbonylContact O-C 3.56Å; G28-A42 WeakPolarHBondContact O-CB 3.37Å; G28-G43 PolarHBondContact O-N 2.82Å; G28-G43 VanDerWaalsContact O-N 3.15Å |
| 29 | L | 95.6 | Very high | 94.4 | Very high | 109 Ų | 109 | 51.8 Ų | 51.8 | 57% | 0.571 | 31% | 0.307 | S | S | * | . | trans | -93 | 141.4 | 176.5 | -54.7 | 173.8 | 0 | 0 | 0 | 110.6 | I24 D25 D27 I31 | I24-L29 CarbonylContact C-O 3.59Å; I24-L29 VanDerWaalsContact CA-O 3.3Å; I24-L29 WeakPolarHBondContact CA-O 3.38Å; D25-L29 PolarHBondContact N-O 3.4Å; D25-L29 PolarHBondContact OD1-N 3.17Å; D25-L29 WeakPolarHBondContact OD2-CB 3.29Å; D27-L29 HydrophobicContact CB-CG 4.49Å; L29-I31 PolarHBondContact O-N 2.78Å | ||
| 30 | C | 95.4 | Very high | 94 | Very high | 41 Ų | 41 | 56.4 Ų | 56.4 | 28% | 0.277 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 122 | 175.1 | -168.2 | 0 | 0 | 0 | 0 | 109.9 | A42 | C30-A42 HydrophobicContact CB-CB 4.38Å |
| 31 | I | 94.9 | Very high | 93.8 | Very high | 77 Ų | 77 | 58.8 Ų | 58.8 | 40% | 0.395 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | -48.1 | 174.4 | -58.9 | 168.8 | 0 | 0 | 0 | 109.8 | L5 C23 D25 L29 V81 | L5-I31 HydrophobicContact CD2-CG2 4.02Å; C23-I31 HydrophobicContact CB-CB 4.32Å; C23-I31 PolarHBondContact O-N 3.07Å; D25-I31 HydrophobicContact CB-CD1 3.94Å; D25-I31 HydrophobicContact CB-CG1 4.01Å; L29-I31 PolarHBondContact O-N 2.78Å; I31-V81 HydrophobicContact CD1-CG1 3.98Å; I31-V81 HydrophobicContact CD1-CG2 4.04Å |
| 32 | A | 95.3 | Very high | 93.7 | Very high | 9 Ų | 9 | 58.8 Ų | 58.8 | 7% | 0.074 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 150.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | L5 L6 L9 Q22 C23 | L5-A32 HydrophobicContact CD2-CB 3.75Å; L5-A32 HydrophobicContact CG-CB 4.23Å; L6-A32 HydrophobicContact CD2-CB 4.17Å; L9-A32 HydrophobicContact CD1-CB 3.7Å; Q22-A32 CarbonylContact C-O 3.58Å; Q22-A32 WeakPolarHBondContact CA-O 3.47Å; C23-A32 PolarHBondContact N-O 2.95Å |
| 33 | S | 95.8 | Very high | 93.7 | Very high | 42 Ų | 42 | 60.6 Ų | 60.6 | 29% | 0.294 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 160.2 | 176.2 | 63.1 | 0 | 0 | 0 | 0 | 111.9 | V21 V37 | V21-S33 CarbonylContact O-C 3.59Å; V21-S33 VanDerWaalsContact O-CA 3.22Å; V21-S33 WeakPolarHBondContact O-CA 3.49Å; S33-V37 WeakPolarHBondContact OG-CG2 3.26Å |
| 34 | H | 96.2 | Very high | 93.7 | Very high | 81 Ų | 81 | 64.3 Ų | 64.3 | 38% | 0.375 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 128.3 | 170.8 | -167.1 | -78.2 | 0 | 0 | 0 | 109.3 | L9 S13 A20 V21 | L9-H34 HydrophobicContact CB-CB 3.9Å; S13-H34 WeakPolarHBondContact CB-ND1 3.43Å; S13-H34 PolarHBondContact OG-CE1 2.83Å; S13-H34 PolarHBondContact OG-ND1 2.82Å; A20-H34 CarbonylContact C-O 3.57Å; A20-H34 VanDerWaalsContact CA-O 3.23Å; A20-H34 WeakPolarHBondContact CA-O 3.49Å; V21-H34 PolarHBondContact N-O 2.65Å; V21-H34 PolarHBondContact O-N 3.36Å |
| 35 | G | 94.2 | Very high | 93.7 | Very high | 44 Ų | 44 | 65.1 Ų | 65.1 | 45% | 0.454 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 95.6 | -173.7 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V37 | G35-V37 PolarHBondContact O-N 3.17Å |
| 36 | T | 88.5 | Confident | 93.7 | Very high | 139 Ų | 139 | 63.5 Ų | 63.5 | 85% | 0.853 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -86.8 | 103.3 | -177.4 | -51.4 | 0 | 0 | 0 | 0 | 110.3 | ||
| 37 | V | 90.3 | Very high | 93.8 | Very high | 31 Ų | 31 | 62.7 Ų | 62.7 | 19% | 0.188 | 37% | 0.37 | C | S | . | . | trans | -117.9 | 153.1 | 170.8 | -68.9 | 0 | 0 | 0 | 0 | 110.7 | A20 Q22 S33 G35 | A20-V37 HydrophobicContact CB-CG1 3.65Å; Q22-V37 HydrophobicContact CB-CG1 4.31Å; Q22-V37 HydrophobicContact CG-CG1 4.3Å; S33-V37 WeakPolarHBondContact OG-CG2 3.26Å; G35-V37 PolarHBondContact O-N 3.17Å | ||
| 38 | N | 88.5 | Confident | 93.9 | Very high | 85 Ų | 85 | 59.9 Ų | 59.9 | 46% | 0.455 | 35% | 0.354 | S | S | . | . | trans | -99.7 | 111.7 | 167.1 | 177.6 | -2.8 | 0 | 0 | 0 | 108.2 | Q40 T41 | N38-Q40 PolarHBondContact O-N 3.23Å; N38-Q40 VanDerWaalsContact O-N 3.08Å; N38-Q40 VanDerWaalsContact OD1-CB 3.3Å; N38-Q40 WeakPolarHBondContact OD1-CB 3.38Å; N38-Q40 WeakPolarHBondContact OD1-CG 3.37Å; N38-Q40 PolarHBondContact OD1-N 3.43Å; N38-T41 HydrophobicContact CB-CG2 4.01Å; N38-T41 WeakPolarHBondContact O-CB 3.44Å; N38-T41 PolarHBondContact O-N 3.16Å; N38-T41 PolarHBondContact O-OG1 3.15Å | ||
| 39 | D | 83.7 | Confident | 94 | Very high | 105 Ų | 105 | 60.1 Ų | 60.1 | 56% | 0.561 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -25.8 | -177.5 | -61 | -19.1 | 0 | 0 | 0 | 113 | T41 A42 | D39-T41 PolarHBondContact O-N 3.36Å; D39-T41 VanDerWaalsContact O-N 3.16Å; D39-A42 WeakPolarHBondContact O-CB 3.34Å; D39-A42 PolarHBondContact O-N 2.97Å |
| 40 | Q | 86.4 | Confident | 94 | Very high | 163 Ų | 163 | 60.2 Ų | 60.2 | 76% | 0.762 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -18.4 | 175.4 | -60.4 | -178.6 | -30.2 | 0 | 0 | 113 | N38 | N38-Q40 PolarHBondContact O-N 3.23Å; N38-Q40 VanDerWaalsContact O-N 3.08Å; N38-Q40 VanDerWaalsContact OD1-CB 3.3Å; N38-Q40 WeakPolarHBondContact OD1-CB 3.38Å; N38-Q40 WeakPolarHBondContact OD1-CG 3.37Å; N38-Q40 PolarHBondContact OD1-N 3.43Å |
| 41 | T | 93.7 | Very high | 94 | Very high | 51 Ų | 51 | 64.8 Ų | 64.8 | 31% | 0.313 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -81.7 | -17 | 178.7 | 66.2 | 0 | 0 | 0 | 0 | 113 | N38 D39 G43 V44 L45 | N38-T41 HydrophobicContact CB-CG2 4.01Å; N38-T41 WeakPolarHBondContact O-CB 3.44Å; N38-T41 PolarHBondContact O-N 3.16Å; N38-T41 PolarHBondContact O-OG1 3.15Å; D39-T41 PolarHBondContact O-N 3.36Å; D39-T41 VanDerWaalsContact O-N 3.16Å; T41-G43 PolarHBondContact O-N 3Å; T41-V44 PolarHBondContact O-N 3.37Å; T41-V44 VanDerWaalsContact O-N 3.1Å; T41-L45 WeakPolarHBondContact O-CG 3.37Å; T41-L45 PolarHBondContact O-N 2.92Å |
| 42 | A | 96.4 | Very high | 94 | Very high | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.008 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.3 | -45.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I24 G28 C30 D39 V44 L45 S46 | I24-A42 HydrophobicContact CD1-CB 3.94Å; I24-A42 HydrophobicContact CG1-CB 3.94Å; I24-A42 HydrophobicContact CG2-CB 4.12Å; G28-A42 CarbonylContact O-C 3.56Å; G28-A42 WeakPolarHBondContact O-CB 3.37Å; C30-A42 HydrophobicContact CB-CB 4.38Å; D39-A42 WeakPolarHBondContact O-CB 3.34Å; D39-A42 PolarHBondContact O-N 2.97Å; A42-V44 VanDerWaalsContact C-N 3.34Å; A42-V44 PolarHBondContact O-N 3.49Å; A42-L45 PolarHBondContact O-N 2.87Å; A42-S46 WeakPolarHBondContact O-CB 3.22Å; A42-S46 PolarHBondContact O-N 2.87Å |
| 43 | G | 96 | Very high | 93.9 | Very high | 38 Ų | 38 | 63.7 Ų | 63.7 | 39% | 0.392 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.6 | -38.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | G28 T41 S47 | G28-G43 PolarHBondContact O-N 2.82Å; G28-G43 VanDerWaalsContact O-N 3.15Å; T41-G43 PolarHBondContact O-N 3Å; G43-S47 WeakPolarHBondContact O-CB 3.48Å; G43-S47 PolarHBondContact O-N 3.43Å |
| 44 | V | 96.6 | Very high | 93.8 | Very high | 87 Ų | 87 | 64.6 Ų | 64.6 | 53% | 0.527 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.2 | -48 | 177 | 178.7 | 0 | 0 | 0 | 0 | 110.5 | T41 A42 S46 S47 I48 | T41-V44 PolarHBondContact O-N 3.37Å; T41-V44 VanDerWaalsContact O-N 3.1Å; A42-V44 VanDerWaalsContact C-N 3.34Å; A42-V44 PolarHBondContact O-N 3.49Å; V44-S46 PolarHBondContact O-N 2.97Å; V44-S47 PolarHBondContact O-N 3.34Å; V44-I48 HydrophobicContact CG1-CD1 3.86Å; V44-I48 HydrophobicContact CG1-CG1 4.42Å; V44-I48 VanDerWaalsContact O-CG1 3.3Å; V44-I48 WeakPolarHBondContact O-CG1 3.23Å; V44-I48 PolarHBondContact O-N 3.3Å |
| 45 | L | 97.5 | Very high | 93.6 | Very high | 16 Ų | 16 | 67.2 Ų | 67.2 | 8% | 0.084 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.4 | -43 | 179.3 | -69.2 | 165.8 | 0 | 0 | 0 | 111.7 | I24 T41 A42 I48 Y49 I66 L75 V84 | I24-L45 HydrophobicContact CD1-CB 4.07Å; I24-L45 HydrophobicContact CD1-CD1 4.31Å; T41-L45 WeakPolarHBondContact O-CG 3.37Å; T41-L45 PolarHBondContact O-N 2.92Å; A42-L45 PolarHBondContact O-N 2.87Å; L45-I48 PolarHBondContact O-N 2.96Å; L45-Y49 WeakPolarHBondContact O-CB 3.49Å; L45-Y49 PolarHBondContact O-N 3.49Å; L45-I66 HydrophobicContact CD2-CD1 4.15Å; L45-L75 HydrophobicContact CB-CD2 4.13Å; L45-L75 HydrophobicContact CD2-CD1 4.39Å; L45-L75 HydrophobicContact CD2-CD2 4.07Å; L45-V84 HydrophobicContact CD1-CG1 4.25Å; L45-V84 HydrophobicContact CD1-CG2 4.28Å |
| 46 | S | 97 | Very high | 93.4 | Very high | 6 Ų | 6 | 72.1 Ų | 72.1 | 4% | 0.042 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60.8 | -44.3 | 174.1 | -178.8 | 0 | 0 | 0 | 0 | 111.7 | A42 V44 Y49 K50 | A42-S46 WeakPolarHBondContact O-CB 3.22Å; A42-S46 PolarHBondContact O-N 2.87Å; V44-S46 PolarHBondContact O-N 2.97Å; S46-Y49 PolarHBondContact O-N 3.4Å; S46-K50 WeakPolarHBondContact O-CB 3.33Å; S46-K50 VanDerWaalsContact O-CG 3.29Å; S46-K50 WeakPolarHBondContact O-CG 3.45Å; S46-K50 PolarHBondContact O-N 2.91Å; S46-K50 WeakPolarHBondContact OG-CE 3.44Å |
| 47 | S | 96.9 | Very high | 93.1 | Very high | 54 Ų | 54 | 75.7 Ų | 75.7 | 38% | 0.378 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.9 | -47.5 | 177.2 | -173.7 | 0 | 0 | 0 | 0 | 112.2 | G43 V44 Y49 K50 H51 | G43-S47 WeakPolarHBondContact O-CB 3.48Å; G43-S47 PolarHBondContact O-N 3.43Å; V44-S47 PolarHBondContact O-N 3.34Å; S47-Y49 VanDerWaalsContact C-N 3.31Å; S47-Y49 PolarHBondContact O-N 3.38Å; S47-K50 PolarHBondContact O-N 2.78Å; S47-H51 PolarHBondContact O-N 3.2Å; S47-H51 PolarHBondContact O-ND1 3.02Å; S47-H51 PolarHBondContact OG-CE1 3.38Å |
| 48 | I | 97 | Very high | 92.9 | Very high | 72 Ų | 72 | 77.3 Ų | 77.3 | 37% | 0.369 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -58.3 | -46.5 | 177.4 | -66.5 | 167.7 | 0 | 0 | 0 | 110.1 | V44 L45 H51 A52 L64 I66 | V44-I48 HydrophobicContact CG1-CD1 3.86Å; V44-I48 HydrophobicContact CG1-CG1 4.42Å; V44-I48 VanDerWaalsContact O-CG1 3.3Å; V44-I48 WeakPolarHBondContact O-CG1 3.23Å; V44-I48 PolarHBondContact O-N 3.3Å; L45-I48 PolarHBondContact O-N 2.96Å; I48-H51 PolarHBondContact O-N 2.85Å; I48-A52 WeakPolarHBondContact O-CB 3.49Å; I48-A52 PolarHBondContact O-N 2.95Å; I48-L64 HydrophobicContact CG2-CD2 3.59Å; I48-I66 HydrophobicContact CD1-CD1 4.29Å; I48-I66 HydrophobicContact CG2-CD1 4.28Å |
| 49 | Y | 97.5 | Very high | 92.6 | Very high | 11 Ų | 11 | 79.4 Ų | 79.4 | 4% | 0.043 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -60.8 | -46.9 | 179.1 | -173.1 | -92.5 | 0 | 0 | 0 | 112.2 | L45 S46 S47 H51 A52 A53 S61 P62 L64 L75 E77 L82 | L45-Y49 WeakPolarHBondContact O-CB 3.49Å; L45-Y49 PolarHBondContact O-N 3.49Å; S46-Y49 PolarHBondContact O-N 3.4Å; S47-Y49 VanDerWaalsContact C-N 3.31Å; S47-Y49 PolarHBondContact O-N 3.38Å; Y49-H51 VanDerWaalsContact C-N 3.31Å; Y49-H51 PolarHBondContact O-N 2.85Å; Y49-A52 PolarHBondContact O-N 2.79Å; Y49-A52 VanDerWaalsContact O-N 3.14Å; Y49-A53 HydrophobicContact CE1-CB 4.43Å; Y49-A53 WeakPolarHBondContact O-CB 3.38Å; Y49-A53 PolarHBondContact O-N 2.94Å; Y49-S61 WeakPolarHBondContact OH-CB 3.46Å; Y49-P62 HydrophobicContact CE2-CG 4.4Å; Y49-P62 VanDerWaalsContact CE2-O 3.26Å; Y49-P62 WeakPolarHBondContact CE2-O 3.29Å; Y49-P62 PolarHBondContact OH-O 2.96Å; Y49-L64 HydrophobicContact CD2-CB 4.17Å; Y49-L64 HydrophobicContact CE2-CB 4.48Å; Y49-L75 HydrophobicContact CD2-CB 3.89Å; Y49-L75 HydrophobicContact CE2-CB 4.45Å; Y49-E77 HydrophobicContact CD1-CB 4.11Å; Y49-E77 HydrophobicContact CE1-CB 3.27Å; Y49-E77 HydrophobicContact CE1-CG 4.11Å; Y49-E77 HydrophobicContact CE2-CB 4.43Å; Y49-E77 VanDerWaalsContact CZ-CB 3.47Å; Y49-E77 WeakPolarHBondContact OH-CB 3.3Å; Y49-E77 PolarHBondContact OH-N 3.3Å; Y49-L82 HydrophobicContact CD1-CD1 4.06Å; Y49-L82 HydrophobicContact CD2-CD1 3.65Å; Y49-L82 HydrophobicContact CE1-CD1 4.41Å; Y49-L82 HydrophobicContact CE2-CD1 4.02Å; Y49-L82 HydrophobicContact CG-CD1 3.67Å; Y49-L82 HydrophobicContact CG-CD2 4.21Å |
| 50 | K | 95.1 | Very high | 92.8 | Very high | 112 Ų | 112 | 81.9 Ų | 81.9 | 49% | 0.487 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.6 | -40.7 | 178.1 | -73.9 | 171.3 | -178.3 | 175.9 | 0 | 112.4 | S26 S46 S47 G54 | S26-K50 WeakPolarHBondContact O-CE 3.37Å; S26-K50 PolarHBondContact O-NZ 3.44Å; S46-K50 WeakPolarHBondContact O-CB 3.33Å; S46-K50 VanDerWaalsContact O-CG 3.29Å; S46-K50 WeakPolarHBondContact O-CG 3.45Å; S46-K50 PolarHBondContact O-N 2.91Å; S46-K50 WeakPolarHBondContact OG-CE 3.44Å; S47-K50 PolarHBondContact O-N 2.78Å; K50-G54 PolarHBondContact O-N 3.32Å |
| 51 | H | 95.4 | Very high | 93 | Very high | 137 Ų | 137 | 77.2 Ų | 77.2 | 63% | 0.634 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -67 | -40.7 | 175.6 | -73.9 | 83.8 | 0 | 0 | 0 | 111.6 | S47 I48 Y49 G54 | S47-H51 PolarHBondContact O-N 3.2Å; S47-H51 PolarHBondContact O-ND1 3.02Å; S47-H51 PolarHBondContact OG-CE1 3.38Å; I48-H51 PolarHBondContact O-N 2.85Å; Y49-H51 VanDerWaalsContact C-N 3.31Å; Y49-H51 PolarHBondContact O-N 2.85Å; H51-G54 PolarHBondContact O-N 2.84Å |
| 52 | A | 95.4 | Very high | 93.1 | Very high | 21 Ų | 21 | 76.9 Ų | 76.9 | 17% | 0.174 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I48 Y49 G54 I55 L64 | I48-A52 WeakPolarHBondContact O-CB 3.49Å; I48-A52 PolarHBondContact O-N 2.95Å; Y49-A52 PolarHBondContact O-N 2.79Å; Y49-A52 VanDerWaalsContact O-N 3.14Å; A52-G54 PolarHBondContact O-N 3.14Å; A52-I55 HydrophobicContact CB-CD1 4.48Å; A52-I55 WeakPolarHBondContact O-CB 3.43Å; A52-I55 WeakPolarHBondContact O-CG1 3.5Å; A52-I55 PolarHBondContact O-N 3.19Å; A52-L64 HydrophobicContact CB-CD1 4.24Å; A52-L64 HydrophobicContact CB-CD2 4.21Å |
| 53 | A | 93.9 | Very high | 93.1 | Very high | 41 Ų | 41 | 81.4 Ų | 81.4 | 34% | 0.339 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.2 | -21.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y49 P62 | Y49-A53 HydrophobicContact CE1-CB 4.43Å; Y49-A53 WeakPolarHBondContact O-CB 3.38Å; Y49-A53 PolarHBondContact O-N 2.94Å; A53-P62 HydrophobicContact CB-CG 4.07Å |
| 54 | G | 92.8 | Very high | 93.2 | Very high | 62 Ų | 62 | 81.4 Ų | 81.4 | 64% | 0.639 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 2.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | K50 H51 A52 | K50-G54 PolarHBondContact O-N 3.32Å; H51-G54 PolarHBondContact O-N 2.84Å; A52-G54 PolarHBondContact O-N 3.14Å |
| 55 | I | 93.5 | Very high | 93.2 | Very high | 135 Ų | 135 | 81.7 Ų | 81.7 | 69% | 0.692 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -70.5 | -41.6 | -178.6 | -67.5 | 173.5 | 0 | 0 | 0 | 111.3 | A52 | A52-I55 HydrophobicContact CB-CD1 4.48Å; A52-I55 WeakPolarHBondContact O-CB 3.43Å; A52-I55 WeakPolarHBondContact O-CG1 3.5Å; A52-I55 PolarHBondContact O-N 3.19Å |
| 56 | E | 89 | Confident | 93.2 | Very high | 147 Ų | 147 | 83.7 Ų | 83.7 | 69% | 0.687 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -117.5 | 138 | 176.3 | -64.9 | -170.8 | 172.1 | 0 | 0 | 109.4 | S58 | E56-S58 PolarHBondContact O-N 3.26Š|
| 57 | E | 82.9 | Confident | 93.2 | Very high | 215 Ų | 215 | 89.7 Ų | 89.7 | 100% | 1.005 | 50% | 0.497 | S | S | * | . | trans | -74.4 | 70.2 | 170 | -69.3 | -173.6 | 178.1 | 0 | 0 | 109.8 | ||||
| 58 | S | 86.4 | Confident | 93.1 | Very high | 64 Ų | 64 | 93.9 Ų | 93.9 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | trans | -110.6 | 146.2 | 174.3 | -178.9 | 0 | 0 | 0 | 0 | 110.2 | E56 E60 | E56-S58 PolarHBondContact O-N 3.26Å; S58-E60 PolarHBondContact O-N 3.25Å; S58-E60 PolarHBondContact OG-N 3.24Å; S58-E60 VanDerWaalsContact OG-N 3.09Å | ||
| 59 | S | 81.1 | Confident | 93.1 | Very high | 129 Ų | 129 | 97.7 Ų | 97.7 | 90% | 0.902 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -78.3 | -4.8 | 169.2 | 59.6 | 0 | 0 | 0 | 0 | 113.1 | ||
| 60 | E | 88.4 | Confident | 93 | Very high | 158 Ų | 158 | 100.6 Ų | 100.6 | 74% | 0.738 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -93.1 | 126.3 | -179.5 | -60.4 | -170.5 | 167.2 | 0 | 0 | 111.4 | S58 | S58-E60 PolarHBondContact O-N 3.25Å; S58-E60 PolarHBondContact OG-N 3.24Å; S58-E60 VanDerWaalsContact OG-N 3.09Å |
| 61 | S | 91.1 | Very high | 93.1 | Very high | 64 Ų | 64 | 100.9 Ų | 100.9 | 45% | 0.448 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 123 | 173.1 | -64.6 | 0 | 0 | 0 | 0 | 110 | Y49 E77 | Y49-S61 WeakPolarHBondContact OH-CB 3.46Å; S61-E77 PolarHBondContact OG-OE2 2.89Å |
| 62 | P | 95.2 | Very high | 93.1 | Very high | 45 Ų | 45 | 94.9 Ų | 94.9 | 29% | 0.292 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -73 | 161.6 | -176.9 | 31.1 | -37.2 | 0 | 0 | 0 | 111.9 | Y49 A53 | Y49-P62 HydrophobicContact CE2-CG 4.4Å; Y49-P62 VanDerWaalsContact CE2-O 3.26Å; Y49-P62 WeakPolarHBondContact CE2-O 3.29Å; Y49-P62 PolarHBondContact OH-O 2.96Å; A53-P62 HydrophobicContact CB-CG 4.07Å |
| 63 | V | 96.8 | Very high | 93.2 | Very high | 95 Ų | 95 | 95 Ų | 95 | 58% | 0.576 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 120.1 | 161.6 | 178.8 | 0 | 0 | 0 | 0 | 108.1 | I74 | V63-I74 HydrophobicContact CG1-CG2 3.8Å |
| 64 | L | 97.6 | Very high | 93.4 | Very high | 38 Ų | 38 | 95.3 Ų | 95.3 | 20% | 0.199 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 136.5 | 178 | 176.2 | 70.3 | 0 | 0 | 0 | 110.2 | I48 Y49 A52 I66 I74 L75 | I48-L64 HydrophobicContact CG2-CD2 3.59Å; Y49-L64 HydrophobicContact CD2-CB 4.17Å; Y49-L64 HydrophobicContact CE2-CB 4.48Å; A52-L64 HydrophobicContact CB-CD1 4.24Å; A52-L64 HydrophobicContact CB-CD2 4.21Å; L64-I66 HydrophobicContact CD2-CD1 4.48Å; L64-I66 HydrophobicContact CD2-CG1 4.35Å; L64-I66 HydrophobicContact CG-CG1 4.41Å; L64-I74 CarbonylContact O-C 3.48Å; L64-I74 WeakPolarHBondContact O-CA 3.36Å; L64-L75 HydrophobicContact CB-CB 4.07Å; L64-L75 HydrophobicContact CD2-CD2 4.25Å; L64-L75 PolarHBondContact N-O 3.1Å; L64-L75 PolarHBondContact O-N 2.9Å |
| 65 | I | 97.7 | Very high | 93.7 | Very high | 93 Ų | 93 | 92.3 Ų | 92.3 | 48% | 0.477 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 125.1 | 174.6 | -53.2 | 177.5 | 0 | 0 | 0 | 108.2 | E67 S73 I74 | I65-E67 HydrophobicContact CG2-CG 3.77Å; I65-S73 WeakPolarHBondContact CA-O 3.37Å; I65-I74 HydrophobicContact CG1-CG1 4.49Å |
| 66 | I | 96.9 | Very high | 93.9 | Very high | 59 Ų | 59 | 88 Ų | 88 | 30% | 0.303 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 116.4 | 172.5 | -55.3 | 173.6 | 0 | 0 | 0 | 107.3 | L45 I48 L64 S72 S73 L75 | L45-I66 HydrophobicContact CD2-CD1 4.15Å; I48-I66 HydrophobicContact CD1-CD1 4.29Å; I48-I66 HydrophobicContact CG2-CD1 4.28Å; L64-I66 HydrophobicContact CD2-CD1 4.48Å; L64-I66 HydrophobicContact CD2-CG1 4.35Å; L64-I66 HydrophobicContact CG-CG1 4.41Å; I66-S72 CarbonylContact O-C 3.52Å; I66-S72 WeakPolarHBondContact O-CA 3.45Å; I66-S73 PolarHBondContact N-O 2.89Å; I66-S73 PolarHBondContact O-N 2.65Å; I66-L75 HydrophobicContact CD1-CD1 3.99Å; I66-L75 HydrophobicContact CG1-CD1 4.26Å |
| 67 | E | 97.1 | Very high | 94.3 | Very high | 132 Ų | 132 | 83.1 Ų | 83.1 | 62% | 0.617 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 136.9 | -179.9 | -58 | -171.6 | 128.7 | 0 | 0 | 110.8 | I65 Q89 | I65-E67 HydrophobicContact CG2-CG 3.77Å; E67-Q89 PolarHBondContact OE1-NE2 3.27Å |
| 68 | F | 95.3 | Very high | 94.8 | Very high | 141 Ų | 141 | 76.6 Ų | 76.6 | 62% | 0.618 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 116.9 | 174 | -176.6 | -98.5 | 0 | 0 | 0 | 109.8 | S70 K71 | F68-S70 PolarHBondContact O-N 3.25Å; F68-K71 PolarHBondContact N-O 3.02Å; F68-K71 WeakPolarHBondContact O-CB 3.3Å; F68-K71 PolarHBondContact O-N 3.26Å |
| 69 | E | 95.9 | Very high | 95.2 | Very high | 153 Ų | 153 | 84.2 Ų | 84.2 | 72% | 0.715 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | -122.4 | -174.8 | -59.1 | 178.1 | 169 | 0 | 0 | 111.7 | K71 | E69-K71 VanDerWaalsContact C-N 3.3Š|
| 70 | S | 95.9 | Very high | 95.8 | Very high | 72 Ų | 72 | 80 Ų | 80 | 50% | 0.503 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 20.9 | 177.6 | 57 | 0 | 0 | 0 | 0 | 113.3 | F68 N88 Q89 | F68-S70 PolarHBondContact O-N 3.25Å; S70-N88 CarbonylContact O-C 3.59Å; S70-N88 WeakPolarHBondContact O-CA 3.32Å; S70-Q89 PolarHBondContact O-N 2.94Å |
| 71 | K | 96 | Very high | 96.2 | Very high | 117 Ų | 117 | 74.7 Ų | 74.7 | 51% | 0.509 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 146.5 | -177.5 | -60.7 | 177.8 | -175.9 | 171.5 | 0 | 111.1 | F68 E69 K87 | F68-K71 PolarHBondContact N-O 3.02Å; F68-K71 WeakPolarHBondContact O-CB 3.3Å; F68-K71 PolarHBondContact O-N 3.26Å; E69-K71 VanDerWaalsContact C-N 3.3Å; K71-K87 CarbonylContact C-O 3.49Å; K71-K87 WeakPolarHBondContact CA-O 3.39Å |
| 72 | S | 97.1 | Very high | 96.6 | Very high | 12 Ų | 12 | 71.9 Ų | 71.9 | 8% | 0.084 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 150.6 | 168.4 | 65.4 | 0 | 0 | 0 | 0 | 112.4 | I66 K87 | I66-S72 CarbonylContact O-C 3.52Å; I66-S72 WeakPolarHBondContact O-CA 3.45Å; S72-K87 PolarHBondContact N-O 2.82Å; S72-K87 PolarHBondContact O-N 3.08Å |
| 73 | S | 97.1 | Very high | 96.7 | Very high | 23 Ų | 23 | 72 Ų | 72 | 16% | 0.161 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 123.8 | 169.8 | -54.5 | 0 | 0 | 0 | 0 | 108.5 | I65 I66 V85 H86 | I65-S73 WeakPolarHBondContact CA-O 3.37Å; I66-S73 PolarHBondContact N-O 2.89Å; I66-S73 PolarHBondContact O-N 2.65Å; S73-V85 WeakPolarHBondContact CA-O 3.46Å; S73-H86 PolarHBondContact OG-ND1 2.69Å |
| 74 | I | 98.1 | Very high | 96.8 | Very high | 47 Ų | 47 | 67.5 Ų | 67.5 | 24% | 0.241 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 123.8 | 177.8 | -54.4 | 171.7 | 0 | 0 | 0 | 107.6 | V63 L64 I65 V84 V85 K87 | V63-I74 HydrophobicContact CG1-CG2 3.8Å; L64-I74 CarbonylContact O-C 3.48Å; L64-I74 WeakPolarHBondContact O-CA 3.36Å; I65-I74 HydrophobicContact CG1-CG1 4.49Å; I74-V84 CarbonylContact O-C 3.51Å; I74-V84 WeakPolarHBondContact O-CA 3.15Å; I74-V85 PolarHBondContact N-O 2.9Å; I74-V85 PolarHBondContact O-N 2.89Å; I74-K87 HydrophobicContact CD1-CD 3.83Å |
| 75 | L | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 125.6 | -175.4 | -76.9 | 81.1 | 0 | 0 | 0 | 108.7 | L45 Y49 L64 I66 L82 T83 V84 | L45-L75 HydrophobicContact CB-CD2 4.13Å; L45-L75 HydrophobicContact CD2-CD1 4.39Å; L45-L75 HydrophobicContact CD2-CD2 4.07Å; Y49-L75 HydrophobicContact CD2-CB 3.89Å; Y49-L75 HydrophobicContact CE2-CB 4.45Å; L64-L75 HydrophobicContact CB-CB 4.07Å; L64-L75 HydrophobicContact CD2-CD2 4.25Å; L64-L75 PolarHBondContact N-O 3.1Å; L64-L75 PolarHBondContact O-N 2.9Å; I66-L75 HydrophobicContact CD1-CD1 3.99Å; I66-L75 HydrophobicContact CG1-CD1 4.26Å; L75-L82 HydrophobicContact CB-CD1 4.05Å; L75-L82 HydrophobicContact CD2-CD2 4.24Å; L75-T83 WeakPolarHBondContact CA-O 3.41Å; L75-V84 HydrophobicContact CD1-CG1 3.95Å; L75-V84 HydrophobicContact CD2-CG2 4.42Å; L75-V84 HydrophobicContact CG-CB 4.48Å; L75-V84 HydrophobicContact CG-CG1 4.01Å; L75-V84 HydrophobicContact CG-CG2 3.99Å |
| 76 | C | 97.8 | Very high | 96.8 | Very high | 45 Ų | 45 | 64.1 Ų | 64.1 | 30% | 0.304 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 124.7 | 179.2 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | T83 | C76-T83 PolarHBondContact N-O 3.35Å; C76-T83 PolarHBondContact O-N 2.8Å |
| 77 | E | 96.9 | Very high | 96.7 | Very high | 43 Ų | 43 | 64.3 Ų | 64.3 | 20% | 0.201 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 134.1 | 178.1 | -176.7 | -76.9 | 133 | 0 | 0 | 110.6 | Y49 S61 Y79 G80 V81 L82 | Y49-E77 HydrophobicContact CD1-CB 4.11Å; Y49-E77 HydrophobicContact CE1-CB 3.27Å; Y49-E77 HydrophobicContact CE1-CG 4.11Å; Y49-E77 HydrophobicContact CE2-CB 4.43Å; Y49-E77 VanDerWaalsContact CZ-CB 3.47Å; Y49-E77 WeakPolarHBondContact OH-CB 3.3Å; Y49-E77 PolarHBondContact OH-N 3.3Å; S61-E77 PolarHBondContact OG-OE2 2.89Å; E77-Y79 PolarHBondContact OE1-N 2.87Å; E77-Y79 VanDerWaalsContact OE1-N 3.12Å; E77-G80 VanDerWaalsContact OE1-CA 3.27Å; E77-G80 WeakPolarHBondContact OE1-CA 3.37Å; E77-G80 PolarHBondContact OE1-N 2.8Å; E77-V81 WeakPolarHBondContact CA-O 3.39Å; E77-L82 HydrophobicContact CB-CD1 4.18Å |
| 78 | V | 95.3 | Very high | 96.6 | Very high | 78 Ų | 78 | 61.5 Ų | 61.5 | 47% | 0.473 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 126.7 | 172.9 | -174.2 | 0 | 0 | 0 | 0 | 109.2 | G80 V81 | V78-G80 PolarHBondContact O-N 2.87Å; V78-V81 PolarHBondContact N-O 2.89Å; V78-V81 PolarHBondContact O-N 2.82Å; V78-V81 VanDerWaalsContact O-N 3.14Å |
| 79 | Y | 93.6 | Very high | 96 | Very high | 225 Ų | 225 | 60.6 Ų | 60.6 | 88% | 0.882 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 42.9 | 176.8 | -54.9 | -52.7 | 0 | 0 | 0 | 114.8 | E77 V81 | E77-Y79 PolarHBondContact OE1-N 2.87Å; E77-Y79 VanDerWaalsContact OE1-N 3.12Å; Y79-V81 VanDerWaalsContact C-N 3.3Å; Y79-V81 PolarHBondContact O-N 2.87Å |
| 80 | G | 94.5 | Very high | 96 | Very high | 39 Ų | 39 | 56 Ų | 56 | 40% | 0.402 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 3.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | S26 E77 V78 | S26-G80 PolarHBondContact N-O 3.24Å; E77-G80 VanDerWaalsContact OE1-CA 3.27Å; E77-G80 WeakPolarHBondContact OE1-CA 3.37Å; E77-G80 PolarHBondContact OE1-N 2.8Å; V78-G80 PolarHBondContact O-N 2.87Å |
| 81 | V | 97.1 | Very high | 96 | Very high | 47 Ų | 47 | 55.2 Ų | 55.2 | 29% | 0.285 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 115.5 | -178.3 | -179.4 | 0 | 0 | 0 | 0 | 110.1 | C23 I31 E77 V78 Y79 T83 | C23-V81 HydrophobicContact CB-CG1 3.87Å; I31-V81 HydrophobicContact CD1-CG1 3.98Å; I31-V81 HydrophobicContact CD1-CG2 4.04Å; E77-V81 WeakPolarHBondContact CA-O 3.39Å; V78-V81 PolarHBondContact N-O 2.89Å; V78-V81 PolarHBondContact O-N 2.82Å; V78-V81 VanDerWaalsContact O-N 3.14Å; Y79-V81 VanDerWaalsContact C-N 3.3Å; Y79-V81 PolarHBondContact O-N 2.87Å; V81-T83 PolarHBondContact O-N 2.99Å |
| 82 | L | 98.1 | Very high | 96 | Very high | 6 Ų | 6 | 51.7 Ų | 51.7 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 115.2 | 172.9 | 177.2 | 62.8 | 0 | 0 | 0 | 109.8 | C23 I24 Y49 L75 E77 V84 | C23-L82 CarbonylContact C-O 3.58Å; C23-L82 WeakPolarHBondContact CA-O 3.5Å; I24-L82 HydrophobicContact CB-CB 4.26Å; I24-L82 HydrophobicContact CD1-CD2 4.35Å; I24-L82 PolarHBondContact N-O 3.1Å; I24-L82 PolarHBondContact O-N 2.89Å; Y49-L82 HydrophobicContact CD1-CD1 4.06Å; Y49-L82 HydrophobicContact CD2-CD1 3.65Å; Y49-L82 HydrophobicContact CE1-CD1 4.41Å; Y49-L82 HydrophobicContact CE2-CD1 4.02Å; Y49-L82 HydrophobicContact CG-CD1 3.67Å; Y49-L82 HydrophobicContact CG-CD2 4.21Å; L75-L82 HydrophobicContact CB-CD1 4.05Å; L75-L82 HydrophobicContact CD2-CD2 4.24Å; E77-L82 HydrophobicContact CB-CD1 4.18Å; L82-V84 HydrophobicContact CD2-CG2 4.42Å; L82-V84 HydrophobicContact CG-CG2 4.14Å |
| 83 | T | 97.9 | Very high | 96 | Very high | 48 Ų | 48 | 54.1 Ų | 54.1 | 29% | 0.294 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 128.8 | 171.3 | -58.4 | 0 | 0 | 0 | 0 | 109.7 | V21 L75 C76 V81 V85 | V21-T83 HydrophobicContact CG1-CG2 4.19Å; L75-T83 WeakPolarHBondContact CA-O 3.41Å; C76-T83 PolarHBondContact N-O 3.35Å; C76-T83 PolarHBondContact O-N 2.8Å; V81-T83 PolarHBondContact O-N 2.99Å; T83-V85 HydrophobicContact CG2-CG2 4.38Å |
| 84 | V | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 124.6 | 176.3 | -168.4 | 0 | 0 | 0 | 0 | 109.5 | V21 Q22 I24 L45 I74 L75 L82 | V21-V84 CarbonylContact C-O 3.59Å; V21-V84 VanDerWaalsContact CA-O 3.29Å; V21-V84 WeakPolarHBondContact CA-O 3.42Å; Q22-V84 HydrophobicContact CG-CB 3.79Å; Q22-V84 HydrophobicContact CG-CG2 4.21Å; Q22-V84 PolarHBondContact N-O 2.84Å; Q22-V84 PolarHBondContact O-N 3.41Å; I24-V84 HydrophobicContact CD1-CG2 3.68Å; L45-V84 HydrophobicContact CD1-CG1 4.25Å; L45-V84 HydrophobicContact CD1-CG2 4.28Å; I74-V84 CarbonylContact O-C 3.51Å; I74-V84 WeakPolarHBondContact O-CA 3.15Å; L75-V84 HydrophobicContact CD1-CG1 3.95Å; L75-V84 HydrophobicContact CD2-CG2 4.42Å; L75-V84 HydrophobicContact CG-CB 4.48Å; L75-V84 HydrophobicContact CG-CG1 4.01Å; L75-V84 HydrophobicContact CG-CG2 3.99Å; L82-V84 HydrophobicContact CD2-CG2 4.42Å; L82-V84 HydrophobicContact CG-CG2 4.14Å |
| 85 | V | 97.9 | Very high | 95.7 | Very high | 26 Ų | 26 | 56.6 Ų | 56.6 | 16% | 0.158 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 115.2 | 175.8 | -176.8 | 0 | 0 | 0 | 0 | 108.7 | V12 V18 V21 S73 I74 T83 K87 | V12-V85 HydrophobicContact CG1-CG1 4.48Å; V12-V85 HydrophobicContact CG1-CG2 4.27Å; V18-V85 HydrophobicContact CG1-CG1 3.89Å; V18-V85 HydrophobicContact CG2-CG1 3.81Å; V21-V85 HydrophobicContact CG1-CG2 4.2Å; V21-V85 HydrophobicContact CG2-CG1 4.49Å; S73-V85 WeakPolarHBondContact CA-O 3.46Å; I74-V85 PolarHBondContact N-O 2.9Å; I74-V85 PolarHBondContact O-N 2.89Å; T83-V85 HydrophobicContact CG2-CG2 4.38Å; V85-K87 HydrophobicContact CG1-CD 4.23Å; V85-K87 HydrophobicContact CG1-CG 3.97Å |
| 86 | H | 97.2 | Very high | 95.6 | Very high | 33 Ų | 33 | 60.6 Ų | 60.6 | 15% | 0.153 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 132.7 | 175.3 | -57 | -74.7 | 0 | 0 | 0 | 110 | V18 T19 A20 Q22 S73 | V18-H86 CarbonylContact C-O 3.55Å; V18-H86 WeakPolarHBondContact CA-O 3.21Å; T19-H86 PolarHBondContact N-O 2.85Å; T19-H86 PolarHBondContact OG1-O 2.83Å; A20-H86 HydrophobicContact CB-CB 4.34Å; A20-H86 PolarHBondContact O-N 2.8Å; Q22-H86 PolarHBondContact NE2-NE2 3.25Å; S73-H86 PolarHBondContact OG-ND1 2.69Å |
| 87 | K | 96.4 | Very high | 95.4 | Very high | 63 Ų | 63 | 61.8 Ų | 61.8 | 27% | 0.274 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 147.8 | -175.6 | -61.8 | 176.6 | 68 | -178.3 | 0 | 111.9 | K17 V18 K71 S72 I74 V85 | K17-K87 CarbonylContact O-C 3.39Å; K17-K87 WeakPolarHBondContact O-CA 3.47Å; V18-K87 HydrophobicContact CG2-CD 4.42Å; V18-K87 HydrophobicContact CG2-CG 3.99Å; K71-K87 CarbonylContact C-O 3.49Å; K71-K87 WeakPolarHBondContact CA-O 3.39Å; S72-K87 PolarHBondContact N-O 2.82Å; S72-K87 PolarHBondContact O-N 3.08Å; I74-K87 HydrophobicContact CD1-CD 3.83Å; V85-K87 HydrophobicContact CG1-CD 4.23Å; V85-K87 HydrophobicContact CG1-CG 3.97Å |
| 88 | N | 94.8 | Very high | 95.3 | Very high | 74 Ų | 74 | 63.4 Ų | 63.4 | 40% | 0.396 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 138.8 | 156.9 | -63 | -23.2 | 0 | 0 | 0 | 108.3 | K17 T19 S70 | K17-N88 PolarHBondContact O-N 3.46Å; T19-N88 WeakPolarHBondContact CG2-ND2 3.45Å; S70-N88 CarbonylContact O-C 3.59Å; S70-N88 WeakPolarHBondContact O-CA 3.32Å |
| 89 | Q | 82.1 | Confident | 95.3 | Very high | 122 Ų | 122 | 62.1 Ų | 62.1 | 57% | 0.57 | 31% | 0.313 | S | S | * | . | trans | -77 | 0 | 178 | -66.4 | -162.4 | -23.2 | 0 | 0 | 111.8 | K17 E67 S70 | K17-Q89 PolarHBondContact NZ-OXT 3.35Å; E67-Q89 PolarHBondContact OE1-NE2 3.27Å; S70-Q89 PolarHBondContact O-N 2.94Å |
Retrieved 89 of 89 residues in 64.5 ms
(Link to these results)