| 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 | 62.4 | Low | 76.6 | Confident | 196 Ų | 196 | 109.8 Ų | 109.8 | 97% | 0.966 | 60% | 0.602 | S | S | * | * | 0 | -52.3 | 0 | -164.2 | 157.5 | 52.6 | 0 | 0 | 111.4 | T3 L4 L5 | M1-T3 PolarHBondContact O-N 3Å; M1-L4 PolarHBondContact O-N 2.81Å; M1-L5 PolarHBondContact O-N 2.94Å; M1-L5 VanDerWaalsContact O-N 3.12Å | |||
| 2 | E | 71.3 | Confident | 76.9 | Confident | 145 Ų | 145 | 108.8 Ų | 108.8 | 68% | 0.678 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -60.6 | -37.9 | 177 | -62.9 | -160.8 | 157.6 | 0 | 0 | 114.8 | L4 L5 K6 | E2-L4 VanDerWaalsContact C-N 3.33Å; E2-L4 PolarHBondContact O-N 3.18Å; E2-L5 PolarHBondContact O-N 2.91Å; E2-K6 WeakPolarHBondContact O-CB 3.3Å; E2-K6 WeakPolarHBondContact O-CG 3.13Å; E2-K6 PolarHBondContact O-N 2.72Å |
| 3 | T | 75.5 | Confident | 77.2 | Confident | 107 Ų | 107 | 108.9 Ų | 108.9 | 66% | 0.656 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -60.3 | -43.9 | 176.5 | 46.3 | 0 | 0 | 0 | 0 | 111.5 | M1 K6 V7 | M1-T3 PolarHBondContact O-N 3Å; T3-K6 PolarHBondContact O-N 3.15Å; T3-V7 WeakPolarHBondContact O-CB 3.41Å; T3-V7 WeakPolarHBondContact O-CG2 3.24Å; T3-V7 PolarHBondContact O-N 2.76Å |
| 4 | L | 69.2 | Low | 77 | Confident | 114 Ų | 114 | 112.2 Ų | 112.2 | 60% | 0.597 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.7 | -43.7 | 176.2 | -170.1 | 70.5 | 0 | 0 | 0 | 111.2 | M1 E2 K6 V7 L8 | M1-L4 PolarHBondContact O-N 2.81Å; E2-L4 VanDerWaalsContact C-N 3.33Å; E2-L4 PolarHBondContact O-N 3.18Å; L4-K6 PolarHBondContact O-N 3.46Å; L4-V7 PolarHBondContact O-N 2.97Å; L4-L8 HydrophobicContact CG-CD1 4.16Å; L4-L8 WeakPolarHBondContact O-CB 3.32Å; L4-L8 VanDerWaalsContact O-CG 3.27Å; L4-L8 WeakPolarHBondContact O-CG 3.29Å; L4-L8 PolarHBondContact O-N 2.76Å |
| 5 | L | 71.5 | Confident | 76.9 | Confident | 126 Ų | 126 | 113 Ų | 113 | 66% | 0.66 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.5 | -42.4 | 179.3 | -143.1 | 97 | 0 | 0 | 0 | 112.1 | M1 E2 L8 S9 | M1-L5 PolarHBondContact O-N 2.94Å; M1-L5 VanDerWaalsContact O-N 3.12Å; E2-L5 PolarHBondContact O-N 2.91Å; L5-L8 PolarHBondContact O-N 2.86Å; L5-S9 WeakPolarHBondContact O-CB 3.42Å; L5-S9 PolarHBondContact O-N 3.1Å |
| 6 | K | 80.2 | Confident | 76.7 | Confident | 147 Ų | 147 | 112.5 Ų | 112.5 | 64% | 0.639 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.4 | -42.3 | 176.3 | -74.1 | 174.5 | -178.9 | 169.6 | 0 | 111.7 | E2 T3 L4 S9 G10 | E2-K6 WeakPolarHBondContact O-CB 3.3Å; E2-K6 WeakPolarHBondContact O-CG 3.13Å; E2-K6 PolarHBondContact O-N 2.72Å; T3-K6 PolarHBondContact O-N 3.15Å; L4-K6 PolarHBondContact O-N 3.46Å; K6-S9 PolarHBondContact O-N 2.62Å; K6-G10 PolarHBondContact O-N 3.08Å |
| 7 | V | 82 | Confident | 76.4 | Confident | 89 Ų | 89 | 110.4 Ų | 110.4 | 54% | 0.539 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.6 | -47.9 | 175.9 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | T3 L4 S9 G10 T11 | T3-V7 WeakPolarHBondContact O-CB 3.41Å; T3-V7 WeakPolarHBondContact O-CG2 3.24Å; T3-V7 PolarHBondContact O-N 2.76Å; L4-V7 PolarHBondContact O-N 2.97Å; V7-S9 PolarHBondContact O-N 2.73Å; V7-G10 PolarHBondContact O-N 2.83Å; V7-T11 HydrophobicContact CG1-CG2 4.45Å; V7-T11 WeakPolarHBondContact O-CG2 3.2Å; V7-T11 PolarHBondContact O-N 3.09Å; V7-T11 PolarHBondContact O-OG1 2.97Å |
| 8 | L | 83.1 | Confident | 76 | Confident | 99 Ų | 99 | 112.9 Ų | 112.9 | 52% | 0.518 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.6 | -40.4 | 178.8 | -69.5 | 173.4 | 0 | 0 | 0 | 112.7 | L4 L5 T11 L12 | L4-L8 HydrophobicContact CG-CD1 4.16Å; L4-L8 WeakPolarHBondContact O-CB 3.32Å; L4-L8 VanDerWaalsContact O-CG 3.27Å; L4-L8 WeakPolarHBondContact O-CG 3.29Å; L4-L8 PolarHBondContact O-N 2.76Å; L5-L8 PolarHBondContact O-N 2.86Å; L8-T11 PolarHBondContact O-OG1 3.27Å; L8-L12 VanDerWaalsContact O-CB 3.27Å; L8-L12 WeakPolarHBondContact O-CB 3.44Å; L8-L12 PolarHBondContact O-N 3.25Å |
| 9 | S | 83 | Confident | 75.6 | Confident | 80 Ų | 80 | 111.8 Ų | 111.8 | 56% | 0.559 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.9 | -43.4 | 174.8 | -178.2 | 0 | 0 | 0 | 0 | 111.5 | L5 K6 V7 L12 L13 | L5-S9 WeakPolarHBondContact O-CB 3.42Å; L5-S9 PolarHBondContact O-N 3.1Å; K6-S9 PolarHBondContact O-N 2.62Å; V7-S9 PolarHBondContact O-N 2.73Å; S9-L12 PolarHBondContact O-N 3.36Å; S9-L13 WeakPolarHBondContact O-CB 3.3Å; S9-L13 PolarHBondContact O-N 3.07Å |
| 10 | G | 83.4 | Confident | 75.2 | Confident | 39 Ų | 39 | 116.9 Ų | 116.9 | 40% | 0.402 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.6 | -45.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K6 V7 W14 | K6-G10 PolarHBondContact O-N 3.08Å; V7-G10 PolarHBondContact O-N 2.83Å; G10-W14 WeakPolarHBondContact O-CB 3.23Å; G10-W14 PolarHBondContact O-N 3.18Å |
| 11 | T | 81.3 | Confident | 74.9 | Confident | 66 Ų | 66 | 114.6 Ų | 114.6 | 41% | 0.405 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.7 | -41 | 177.2 | 55.3 | 0 | 0 | 0 | 0 | 111.8 | V7 L8 W14 Q15 | V7-T11 HydrophobicContact CG1-CG2 4.45Å; V7-T11 WeakPolarHBondContact O-CG2 3.2Å; V7-T11 PolarHBondContact O-N 3.09Å; V7-T11 PolarHBondContact O-OG1 2.97Å; L8-T11 PolarHBondContact O-OG1 3.27Å; T11-W14 PolarHBondContact O-N 3.08Å; T11-Q15 WeakPolarHBondContact O-CG 3.48Å; T11-Q15 PolarHBondContact O-N 2.73Å |
| 12 | L | 80 | Confident | 75.3 | Confident | 98 Ų | 98 | 110.5 Ų | 110.5 | 51% | 0.513 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.2 | -44.6 | 177.7 | -175.9 | 65.1 | 0 | 0 | 0 | 111.7 | L8 S9 W14 Q15 L16 | L8-L12 VanDerWaalsContact O-CB 3.27Å; L8-L12 WeakPolarHBondContact O-CB 3.44Å; L8-L12 PolarHBondContact O-N 3.25Å; S9-L12 PolarHBondContact O-N 3.36Å; L12-W14 VanDerWaalsContact C-N 3.34Å; L12-W14 PolarHBondContact O-N 3.02Å; L12-Q15 PolarHBondContact O-N 2.84Å; L12-L16 HydrophobicContact CG-CD1 4.17Å; L12-L16 VanDerWaalsContact O-CG 3.3Å; L12-L16 WeakPolarHBondContact O-CG 3.36Å; L12-L16 PolarHBondContact O-N 2.84Å |
| 13 | L | 81.4 | Confident | 75.9 | Confident | 110 Ų | 110 | 109.8 Ų | 109.8 | 58% | 0.576 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.9 | -40.6 | 177.9 | -174.4 | 64.2 | 0 | 0 | 0 | 111.7 | S9 L16 T17 | S9-L13 WeakPolarHBondContact O-CB 3.3Å; S9-L13 PolarHBondContact O-N 3.07Å; L13-L16 PolarHBondContact O-N 2.72Å; L13-T17 WeakPolarHBondContact O-CG2 3.36Å; L13-T17 PolarHBondContact O-N 2.82Å; L13-T17 PolarHBondContact O-OG1 3.05Å |
| 14 | W | 74.4 | Confident | 76.6 | Confident | 155 Ų | 155 | 105.5 Ų | 105.5 | 59% | 0.587 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.8 | -48.1 | 174.6 | -170.4 | -7.1 | 0 | 0 | 0 | 110.9 | G10 T11 L12 L16 T17 W18 | G10-W14 WeakPolarHBondContact O-CB 3.23Å; G10-W14 PolarHBondContact O-N 3.18Å; T11-W14 PolarHBondContact O-N 3.08Å; L12-W14 VanDerWaalsContact C-N 3.34Å; L12-W14 PolarHBondContact O-N 3.02Å; W14-L16 PolarHBondContact O-N 2.85Å; W14-T17 PolarHBondContact O-N 3.38Å; W14-T17 PolarHBondContact O-OG1 3.23Å; W14-W18 AromaticContact CD1-CD1 3.51Å; W14-W18 AromaticContact CD1-CE2 3.95Å; W14-W18 AromaticContact CD1-CG 3.85Å; W14-W18 AromaticContact CD1-NE1 3.61Å; W14-W18 HydrophobicContact CZ2-CZ2 4.16Å; W14-W18 AromaticContact NE1-CD1 3.45Å; W14-W18 AromaticContact NE1-CD2 3.67Å; W14-W18 AromaticContact NE1-CE2 3.15Å; W14-W18 AromaticContact NE1-CG 3.87Å; W14-W18 AromaticContact NE1-CZ2 3.61Å; W14-W18 AromaticContact NE1-NE1 3.01Å; W14-W18 WeakPolarHBondContact O-CB 3.17Å; W14-W18 PolarHBondContact O-N 2.9Å |
| 15 | Q | 75.5 | Confident | 77.8 | Confident | 124 Ų | 124 | 104.6 Ų | 104.6 | 58% | 0.579 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.1 | -44.4 | 178.1 | -73.6 | 177 | -25 | 0 | 0 | 112.5 | T11 L12 W18 V19 | T11-Q15 WeakPolarHBondContact O-CG 3.48Å; T11-Q15 PolarHBondContact O-N 2.73Å; L12-Q15 PolarHBondContact O-N 2.84Å; Q15-W18 PolarHBondContact O-N 2.98Å; Q15-V19 WeakPolarHBondContact O-CG2 3.39Å; Q15-V19 PolarHBondContact O-N 2.74Å |
| 16 | L | 72.9 | Confident | 79 | Confident | 105 Ų | 105 | 101.1 Ų | 101.1 | 55% | 0.55 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 179.3 | -70.1 | 172 | 0 | 0 | 0 | 112.7 | L12 L13 W14 W18 R20 | L12-L16 HydrophobicContact CG-CD1 4.17Å; L12-L16 VanDerWaalsContact O-CG 3.3Å; L12-L16 WeakPolarHBondContact O-CG 3.36Å; L12-L16 PolarHBondContact O-N 2.84Å; L13-L16 PolarHBondContact O-N 2.72Å; W14-L16 PolarHBondContact O-N 2.85Å; L16-W18 VanDerWaalsContact C-N 3.33Å; L16-R20 WeakPolarHBondContact O-CB 3.48Å; L16-R20 PolarHBondContact O-N 3.05Å; L16-R20 VanDerWaalsContact O-N 3.13Å |
| 17 | T | 72.3 | Confident | 79.8 | Confident | 77 Ų | 77 | 97.3 Ų | 97.3 | 47% | 0.472 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.9 | -37.8 | 177.2 | 52.2 | 0 | 0 | 0 | 0 | 111.7 | L13 W14 S21 | L13-T17 WeakPolarHBondContact O-CG2 3.36Å; L13-T17 PolarHBondContact O-N 2.82Å; L13-T17 PolarHBondContact O-OG1 3.05Å; W14-T17 PolarHBondContact O-N 3.38Å; W14-T17 PolarHBondContact O-OG1 3.23Å; T17-S21 PolarHBondContact O-N 2.9Å |
| 18 | W | 68.4 | Low | 80.6 | Confident | 155 Ų | 155 | 95.6 Ų | 95.6 | 59% | 0.587 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.9 | -50.7 | 174.7 | -94.3 | 26.6 | 0 | 0 | 0 | 112.9 | W14 Q15 L16 R20 S21 Q22 | W14-W18 AromaticContact CD1-CD1 3.51Å; W14-W18 AromaticContact CD1-CE2 3.95Å; W14-W18 AromaticContact CD1-CG 3.85Å; W14-W18 AromaticContact CD1-NE1 3.61Å; W14-W18 HydrophobicContact CZ2-CZ2 4.16Å; W14-W18 AromaticContact NE1-CD1 3.45Å; W14-W18 AromaticContact NE1-CD2 3.67Å; W14-W18 AromaticContact NE1-CE2 3.15Å; W14-W18 AromaticContact NE1-CG 3.87Å; W14-W18 AromaticContact NE1-CZ2 3.61Å; W14-W18 AromaticContact NE1-NE1 3.01Å; W14-W18 WeakPolarHBondContact O-CB 3.17Å; W14-W18 PolarHBondContact O-N 2.9Å; Q15-W18 PolarHBondContact O-N 2.98Å; L16-W18 VanDerWaalsContact C-N 3.33Å; W18-R20 VanDerWaalsContact C-N 3.31Å; W18-R20 PolarHBondContact O-N 2.81Å; W18-S21 WeakPolarHBondContact O-CB 3.3Å; W18-S21 PolarHBondContact O-N 2.96Å; W18-S21 VanDerWaalsContact O-N 3.09Å; W18-S21 PolarHBondContact O-OG 2.87Å; W18-Q22 WeakPolarHBondContact O-CG 3.45Å |
| 19 | V | 69.3 | Low | 81.1 | Confident | 92 Ų | 92 | 100.4 Ų | 100.4 | 56% | 0.558 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.7 | -44.7 | -179.7 | 172 | 0 | 0 | 0 | 0 | 110.9 | Q15 S21 Q22 | Q15-V19 WeakPolarHBondContact O-CG2 3.39Å; Q15-V19 PolarHBondContact O-N 2.74Å; V19-S21 PolarHBondContact O-N 2.84Å; V19-Q22 PolarHBondContact O-N 2.93Å |
| 20 | R | 67.9 | Low | 81.7 | Confident | 214 Ų | 214 | 100.9 Ų | 100.9 | 81% | 0.808 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.2 | -30.1 | 178.6 | -168.1 | 173.7 | -175.7 | -177.9 | 1.4 | 113.2 | L16 W18 Q22 | L16-R20 WeakPolarHBondContact O-CB 3.48Å; L16-R20 PolarHBondContact O-N 3.05Å; L16-R20 VanDerWaalsContact O-N 3.13Å; W18-R20 VanDerWaalsContact C-N 3.31Å; W18-R20 PolarHBondContact O-N 2.81Å; R20-Q22 VanDerWaalsContact C-N 3.28Å; R20-Q22 PolarHBondContact O-N 2.88Å |
| 21 | S | 68.7 | Low | 82.3 | Confident | 69 Ų | 69 | 102.7 Ų | 102.7 | 48% | 0.483 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -73.6 | -16 | 178.9 | 79.4 | 0 | 0 | 0 | 0 | 114.1 | T17 W18 V19 | T17-S21 PolarHBondContact O-N 2.9Å; W18-S21 WeakPolarHBondContact O-CB 3.3Å; W18-S21 PolarHBondContact O-N 2.96Å; W18-S21 VanDerWaalsContact O-N 3.09Å; W18-S21 PolarHBondContact O-OG 2.87Å; V19-S21 PolarHBondContact O-N 2.84Å |
| 22 | Q | 71.1 | Confident | 83 | Confident | 109 Ų | 109 | 107.6 Ų | 107.6 | 51% | 0.509 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -97.6 | -19.8 | -174.6 | -49.9 | -158.2 | 16.9 | 0 | 0 | 113.5 | W18 V19 R20 | W18-Q22 WeakPolarHBondContact O-CG 3.45Å; V19-Q22 PolarHBondContact O-N 2.93Å; R20-Q22 VanDerWaalsContact C-N 3.28Å; R20-Q22 PolarHBondContact O-N 2.88Å |
| 23 | Q | 83 | Confident | 83.7 | Confident | 130 Ų | 130 | 105.8 Ų | 105.8 | 61% | 0.607 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -87.6 | 142.4 | -172.3 | -161 | 164.1 | -16.3 | 0 | 0 | 111.4 | ||
| 24 | P | 90.3 | Very high | 84.3 | Confident | 18 Ų | 18 | 109.9 Ų | 109.9 | 12% | 0.117 | 55% | 0.55 | C | S | . | * | P | Polyproline II helix | trans | -57.8 | 145.3 | 173.9 | -23.6 | 33.4 | 0 | 0 | 0 | 112.3 | C43 S44 L49 T111 | P24-C43 WeakPolarHBondContact CB-SG 3.38Å; P24-S44 CarbonylContact C-O 3.42Å; P24-S44 WeakPolarHBondContact CA-O 3.35Å; P24-L49 HydrophobicContact CG-CD2 4.23Å; P24-T111 HydrophobicContact CG-CG2 4.11Å |
| 25 | V | 94.5 | Very high | 85.3 | Confident | 95 Ų | 95 | 108.4 Ų | 108.4 | 58% | 0.576 | 55% | 0.55 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 128.2 | 177.6 | -179.1 | 0 | 0 | 0 | 0 | 109.3 | C43 S44 | V25-C43 WeakPolarHBondContact O-CA 3.43Å; V25-S44 PolarHBondContact N-O 3.37Å; V25-S44 PolarHBondContact O-N 2.78Å; V25-S44 PolarHBondContact O-OG 3.4Å |
| 26 | Q | 96.6 | Very high | 86.4 | Confident | 53 Ų | 53 | 104.9 Ų | 104.9 | 25% | 0.248 | 55% | 0.546 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 141.5 | 177.3 | -71.9 | -174.1 | -115.8 | 0 | 0 | 112.9 | N42 C43 Y107 C109 | Q26-N42 CarbonylContact C-O 3.53Å; Q26-N42 WeakPolarHBondContact CA-O 3.39Å; Q26-C43 HydrophobicContact CG-CB 4.48Å; Q26-Y107 PolarHBondContact NE2-O 3.12Å; Q26-C109 WeakPolarHBondContact CG-SG 3.48Å |
| 27 | S | 97.5 | Very high | 87.5 | Confident | 67 Ų | 67 | 103.8 Ų | 103.8 | 47% | 0.469 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 138.3 | 176.8 | -177.5 | 0 | 0 | 0 | 0 | 111.9 | N42 | S27-N42 PolarHBondContact N-O 2.98Å; S27-N42 PolarHBondContact O-N 2.83Å |
| 28 | P | 97.4 | Very high | 88.8 | Confident | 53 Ų | 53 | 105.2 Ų | 105.2 | 34% | 0.344 | 54% | 0.543 | S | S | . | . | cis | -72 | 161.3 | -3.8 | 32.1 | -35.4 | 0 | 0 | 0 | 111.9 | V31 V40 | P28-V31 HydrophobicContact CG-CB 4.21Å; P28-V40 WeakPolarHBondContact CD-O 3.2Å | ||
| 29 | Q | 94.8 | Very high | 90.1 | Very high | 200 Ų | 200 | 98.4 Ų | 98.4 | 94% | 0.935 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -72.4 | -31.3 | 176 | -69.7 | -175.1 | 1.1 | 0 | 0 | 112.5 | ||
| 30 | A | 96 | Very high | 91.5 | Very high | 89 Ų | 89 | 96.8 Ų | 96.8 | 74% | 0.736 | 51% | 0.511 | S | S | * | . | trans | -152.4 | 147.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 31 | V | 95.5 | Very high | 92.9 | Very high | 78 Ų | 78 | 87.5 Ų | 87.5 | 47% | 0.473 | 48% | 0.476 | S | S | . | . | trans | -143.6 | 139 | 173.1 | 64.8 | 0 | 0 | 0 | 0 | 108.2 | P28 L33 | P28-V31 HydrophobicContact CG-CB 4.21Å; V31-L33 HydrophobicContact CG1-CD1 4.12Å; V31-L33 HydrophobicContact CG1-CG 4.17Å; V31-L33 HydrophobicContact CG2-CD2 3.57Å; V31-L33 HydrophobicContact CG2-CG 3.92Å | ||
| 32 | I | 95.7 | Very high | 94.3 | Very high | 169 Ų | 169 | 86.3 Ų | 86.3 | 87% | 0.867 | 47% | 0.465 | S | S | * | . | trans | -109 | 124.2 | 172.9 | -59.5 | 174.7 | 0 | 0 | 0 | 106 | ||||
| 33 | L | 93.8 | Very high | 95.6 | Very high | 60 Ų | 60 | 81.1 Ų | 81.1 | 31% | 0.314 | 44% | 0.441 | S | S | . | . | trans | -125.1 | 149.5 | -174.1 | -58.7 | 167.4 | 0 | 0 | 0 | 110.1 | V31 E37 A39 | V31-L33 HydrophobicContact CG1-CD1 4.12Å; V31-L33 HydrophobicContact CG1-CG 4.17Å; V31-L33 HydrophobicContact CG2-CD2 3.57Å; V31-L33 HydrophobicContact CG2-CG 3.92Å; L33-E37 WeakPolarHBondContact CA-OE2 3.31Å; L33-E37 HydrophobicContact CB-CB 4.43Å; L33-E37 HydrophobicContact CD2-CB 4.31Å; L33-A39 HydrophobicContact CD1-CB 3.42Å; L33-A39 VanDerWaalsContact CD1-CB 3.42Å; L33-A39 HydrophobicContact CD2-CB 4.17Å; L33-A39 HydrophobicContact CG-CB 4.4Å | ||
| 34 | R | 95.7 | Very high | 96.2 | Very high | 195 Ų | 195 | 77 Ų | 77 | 74% | 0.736 | 43% | 0.426 | S | S | * | . | trans | -85.9 | 156.8 | 163.8 | -61.9 | 177.8 | 175.4 | -177.9 | -0.3 | 109.7 | G36 E37 | R34-G36 PolarHBondContact O-N 3.17Å; R34-E37 HydrophobicContact CB-CG 4.11Å; R34-E37 PolarHBondContact N-OE2 2.79Å; R34-E37 WeakPolarHBondContact O-CB 3.35Å; R34-E37 PolarHBondContact O-N 3.29Å; R34-E37 VanDerWaalsContact O-N 3.15Å | ||
| 35 | E | 95.6 | Very high | 96.3 | Very high | 125 Ų | 125 | 77.1 Ų | 77.1 | 58% | 0.584 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 139.9 | 171.4 | -67.7 | -165.6 | 126.3 | 0 | 0 | 110.6 | E37 S99 L101 | E35-E37 VanDerWaalsContact C-N 3.31Å; E35-S99 CarbonylContact C-O 3.5Å; E35-S99 VanDerWaalsContact CA-O 3.24Å; E35-S99 WeakPolarHBondContact CA-O 3.39Å; E35-L101 HydrophobicContact CG-CG 4.17Å; E35-L101 VanDerWaalsContact OE1-CG 3.3Å; E35-L101 WeakPolarHBondContact OE1-CG 3.38Å; E35-L101 PolarHBondContact OE1-N 2.79Å |
| 36 | G | 96.8 | Very high | 96.1 | Very high | 49 Ų | 49 | 78.2 Ų | 78.2 | 51% | 0.505 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | -12.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | R34 S99 | R34-G36 PolarHBondContact O-N 3.17Å; G36-S99 PolarHBondContact N-O 2.93Å |
| 37 | E | 97.7 | Very high | 95.7 | Very high | 82 Ų | 82 | 80.2 Ų | 80.2 | 38% | 0.383 | 45% | 0.447 | S | S | . | . | trans | -77.5 | 150.3 | 175 | -67.2 | -177.6 | 155.6 | 0 | 0 | 111.9 | L33 R34 E35 S99 | L33-E37 WeakPolarHBondContact CA-OE2 3.31Å; L33-E37 HydrophobicContact CB-CB 4.43Å; L33-E37 HydrophobicContact CD2-CB 4.31Å; R34-E37 HydrophobicContact CB-CG 4.11Å; R34-E37 PolarHBondContact N-OE2 2.79Å; R34-E37 WeakPolarHBondContact O-CB 3.35Å; R34-E37 PolarHBondContact O-N 3.29Å; R34-E37 VanDerWaalsContact O-N 3.15Å; E35-E37 VanDerWaalsContact C-N 3.31Å; E37-S99 WeakPolarHBondContact O-CB 3.22Å; E37-S99 PolarHBondContact O-N 3.46Å; E37-S99 PolarHBondContact O-OG 2.65Å | ||
| 38 | D | 97.9 | Very high | 95.3 | Very high | 107 Ų | 107 | 79.3 Ų | 79.3 | 57% | 0.572 | 44% | 0.443 | S | S | * | . | trans | -94 | 150.8 | 175 | -64.9 | -15 | 0 | 0 | 0 | 110.5 | L96 T97 A98 | D38-L96 CarbonylContact C-O 3.56Å; D38-L96 VanDerWaalsContact CA-O 3.23Å; D38-L96 WeakPolarHBondContact CA-O 3.37Å; D38-T97 WeakPolarHBondContact OD1-CA 3.34Å; D38-A98 PolarHBondContact OD1-N 2.94Å | ||
| 39 | A | 96.8 | Very high | 95 | Very high | 12 Ų | 12 | 77.1 Ų | 77.1 | 10% | 0.099 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 152.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L33 Y95 L96 | L33-A39 HydrophobicContact CD1-CB 3.42Å; L33-A39 VanDerWaalsContact CD1-CB 3.42Å; L33-A39 HydrophobicContact CD2-CB 4.17Å; L33-A39 HydrophobicContact CG-CB 4.4Å; A39-Y95 WeakPolarHBondContact O-CA 3.32Å; A39-L96 HydrophobicContact CB-CB 4.45Å; A39-L96 PolarHBondContact N-O 2.78Å; A39-L96 PolarHBondContact O-N 2.85Å |
| 40 | V | 98.3 | Very high | 94.7 | Very high | 59 Ų | 59 | 76 Ų | 76 | 36% | 0.358 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 126.9 | 176.3 | -172.6 | 0 | 0 | 0 | 0 | 109.1 | P28 L94 Y95 | P28-V40 WeakPolarHBondContact CD-O 3.2Å; V40-L94 CarbonylContact C-O 3.5Å; V40-L94 VanDerWaalsContact CA-O 3.3Å; V40-L94 WeakPolarHBondContact CA-O 3.5Å; V40-Y95 HydrophobicContact CB-CD1 4.42Å; V40-Y95 HydrophobicContact CG1-CD1 4.03Å; V40-Y95 HydrophobicContact CG1-CE1 3.9Å; V40-Y95 HydrophobicContact CG2-CD1 3.62Å; V40-Y95 HydrophobicContact CG2-CE1 4Å |
| 41 | I | 98.3 | Very high | 94.6 | Very high | 18 Ų | 18 | 72 Ų | 72 | 9% | 0.092 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 117 | 174.4 | -51.2 | 178.7 | 0 | 0 | 0 | 107.1 | W54 S93 L94 Y107 | I41-W54 HydrophobicContact CB-CH2 4.32Å; I41-W54 HydrophobicContact CB-CZ3 4.34Å; I41-W54 HydrophobicContact CG2-CH2 4.05Å; I41-W54 HydrophobicContact CG2-CZ3 3.96Å; I41-W54 VanDerWaalsContact O-CH2 3.3Å; I41-W54 WeakPolarHBondContact O-CH2 3.48Å; I41-S93 CarbonylContact O-C 3.57Å; I41-S93 WeakPolarHBondContact O-CA 3.19Å; I41-L94 HydrophobicContact CB-CB 4.35Å; I41-L94 HydrophobicContact CD1-CD2 4.45Å; I41-L94 PolarHBondContact N-O 3.37Å; I41-L94 PolarHBondContact O-N 2.97Å; I41-Y107 VanDerWaalsContact CD1-CB 3.5Å; I41-Y107 HydrophobicContact CD1-CD1 4.47Å; I41-Y107 HydrophobicContact CD1-CD2 3.72Å; I41-Y107 HydrophobicContact CD1-CG 3.65Å |
| 42 | N | 98.1 | Very high | 94.6 | Very high | 45 Ų | 45 | 68.4 Ų | 68.4 | 24% | 0.241 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 142.5 | 179 | -61.5 | -61.5 | 0 | 0 | 0 | 110 | Q26 S27 Q91 S92 S93 | Q26-N42 CarbonylContact C-O 3.53Å; Q26-N42 WeakPolarHBondContact CA-O 3.39Å; S27-N42 PolarHBondContact N-O 2.98Å; S27-N42 PolarHBondContact O-N 2.83Å; N42-Q91 PolarHBondContact OD1-NE2 2.86Å; N42-S92 WeakPolarHBondContact CA-O 3.47Å; N42-S93 WeakPolarHBondContact OD1-CB 3.31Å; N42-S93 PolarHBondContact OD1-OG 3.47Å |
| 43 | C | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 109.6 | 172.4 | 178.8 | 0 | 0 | 0 | 0 | 107.7 | P24 V25 Q26 W54 Q91 S92 C109 | P24-C43 WeakPolarHBondContact CB-SG 3.38Å; V25-C43 WeakPolarHBondContact O-CA 3.43Å; Q26-C43 HydrophobicContact CG-CB 4.48Å; C43-W54 HydrophobicContact CB-CH2 3.64Å; C43-W54 HydrophobicContact CB-CZ2 3.68Å; C43-Q91 CarbonylContact O-C 3.59Å; C43-Q91 VanDerWaalsContact O-CA 3.28Å; C43-Q91 WeakPolarHBondContact O-CA 3.1Å; C43-S92 PolarHBondContact N-O 3.37Å; C43-S92 PolarHBondContact O-N 3.32Å; C43-C109 HydrophobicContact CB-CB 3.46Å; C43-C109 VanDerWaalsContact CB-CB 3.46Å; C43-C109 WeakPolarHBondContact CB-SG 3.49Å; C43-C109 WeakPolarHBondContact SG-CB 3.27Å; C43-C109 CovalentContact SG-SG 2.02Å; C43-C109 PolarHBondContact SG-SG 3.48Å |
| 44 | S | 95.7 | Very high | 94.9 | Very high | 44 Ų | 44 | 58.4 Ų | 58.4 | 31% | 0.308 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 144.6 | -176 | 55.9 | 0 | 0 | 0 | 0 | 111.3 | P24 V25 Q90 | P24-S44 CarbonylContact C-O 3.42Å; P24-S44 WeakPolarHBondContact CA-O 3.35Å; V25-S44 PolarHBondContact N-O 3.37Å; V25-S44 PolarHBondContact O-N 2.78Å; V25-S44 PolarHBondContact O-OG 3.4Å; S44-Q90 WeakPolarHBondContact CA-O 3.27Å |
| 45 | S | 93.1 | Very high | 95 | Very high | 20 Ų | 20 | 52.8 Ų | 52.8 | 14% | 0.14 | 29% | 0.289 | C | S | . | . | trans | -128.1 | 146.8 | 175 | -173.6 | 0 | 0 | 0 | 0 | 110.9 | K47 Q90 | S45-K47 WeakPolarHBondContact CB-O 3.13Å; S45-K47 PolarHBondContact OG-N 2.91Å; S45-K47 VanDerWaalsContact OG-N 3.09Å; S45-K47 PolarHBondContact OG-O 3.48Å; S45-Q90 PolarHBondContact N-O 3.34Å; S45-Q90 VanDerWaalsContact O-CB 3.32Å; S45-Q90 WeakPolarHBondContact O-CB 3.34Å | ||
| 46 | S | 90 | Very high | 95.1 | Very high | 117 Ų | 117 | 48.3 Ų | 48.3 | 82% | 0.818 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -78 | -12.6 | 167.4 | 57.8 | 0 | 0 | 0 | 0 | 112.4 | ||
| 47 | K | 88 | Confident | 95.1 | Very high | 95 Ų | 95 | 48.7 Ų | 48.7 | 41% | 0.413 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -103.8 | 163.3 | 176.1 | -63.3 | 179.4 | -178.4 | -176.7 | 0 | 110.2 | S45 L49 | S45-K47 WeakPolarHBondContact CB-O 3.13Å; S45-K47 PolarHBondContact OG-N 2.91Å; S45-K47 VanDerWaalsContact OG-N 3.09Å; S45-K47 PolarHBondContact OG-O 3.48Å; K47-L49 PolarHBondContact O-N 3.07Å |
| 48 | A | 90.1 | Very high | 95.1 | Very high | 48 Ų | 48 | 48.8 Ų | 48.8 | 40% | 0.397 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 128.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y50 | A48-Y50 HydrophobicContact CB-CE1 4.3Å; A48-Y50 HydrophobicContact CB-CE2 4.24Å |
| 49 | L | 89.4 | Confident | 94.9 | Very high | 7 Ų | 7 | 52.8 Ų | 52.8 | 4% | 0.037 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -95.4 | 118.9 | 167.8 | -64.9 | 176.1 | 0 | 0 | 0 | 107.3 | P24 K47 V52 F85 Q90 T111 | P24-L49 HydrophobicContact CG-CD2 4.23Å; K47-L49 PolarHBondContact O-N 3.07Å; L49-V52 HydrophobicContact CB-CG2 4.12Å; L49-V52 HydrophobicContact CD1-CG2 3.91Å; L49-V52 HydrophobicContact CG-CG2 4.47Å; L49-F85 HydrophobicContact CB-CE2 3.9Å; L49-F85 HydrophobicContact CB-CZ 3.79Å; L49-F85 HydrophobicContact CD1-CE2 4.2Å; L49-F85 WeakPolarHBondContact O-CZ 3.48Å; L49-Q90 VanDerWaalsContact CD1-O 3.31Å; L49-Q90 WeakPolarHBondContact CD1-O 3.48Å; L49-T111 HydrophobicContact CD2-CG2 4.1Å |
| 50 | Y | 89.8 | Confident | 94.8 | Very high | 177 Ų | 177 | 56 Ų | 56 | 69% | 0.694 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -94.5 | -31.4 | 175.8 | -59.8 | -72.5 | 0 | 0 | 0 | 111.6 | A48 | A48-Y50 HydrophobicContact CB-CE1 4.3Å; A48-Y50 HydrophobicContact CB-CE2 4.24Å |
| 51 | S | 93.4 | Very high | 94.8 | Very high | 6 Ų | 6 | 58 Ų | 58 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | trans | -140.4 | 148.2 | 172.9 | 64.3 | 0 | 0 | 0 | 0 | 109.4 | H53 L69 T111 E112 | S51-H53 PolarHBondContact OG-CE1 2.97Å; S51-L69 CarbonylContact C-O 3.5Å; S51-L69 VanDerWaalsContact CA-O 3.27Å; S51-L69 WeakPolarHBondContact CA-O 3.39Å; S51-T111 WeakPolarHBondContact O-CA 3.49Å; S51-T111 WeakPolarHBondContact O-CB 3.22Å; S51-T111 PolarHBondContact O-OG1 3.38Å; S51-E112 PolarHBondContact OG-N 2.8Å | ||
| 52 | V | 96.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.006 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 120.8 | 172.3 | -172.1 | 0 | 0 | 0 | 0 | 109.6 | L49 I68 L69 F85 C109 G110 | L49-V52 HydrophobicContact CB-CG2 4.12Å; L49-V52 HydrophobicContact CD1-CG2 3.91Å; L49-V52 HydrophobicContact CG-CG2 4.47Å; V52-I68 CarbonylContact O-C 3.55Å; V52-I68 WeakPolarHBondContact O-CA 3.22Å; V52-L69 PolarHBondContact N-O 3.23Å; V52-L69 PolarHBondContact O-N 2.81Å; V52-F85 HydrophobicContact CG2-CD2 4.11Å; V52-F85 HydrophobicContact CG2-CE2 4.26Å; V52-F85 HydrophobicContact CG2-CG 4.43Å; V52-C109 HydrophobicContact CG1-CB 4.4Å; V52-G110 WeakPolarHBondContact CA-O 3.43Å |
| 53 | H | 97.1 | Very high | 94.6 | Very high | 19 Ų | 19 | 61.8 Ų | 61.8 | 9% | 0.088 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 134.2 | 177 | -59.1 | 79 | 0 | 0 | 0 | 109 | S51 Y55 I68 C109 G110 | S51-H53 PolarHBondContact OG-CE1 2.97Å; H53-Y55 HydrophobicContact CB-CD2 4.31Å; H53-Y55 HydrophobicContact CB-CE2 3.45Å; H53-Y55 VanDerWaalsContact CB-CE2 3.45Å; H53-I68 WeakPolarHBondContact NE2-CD1 3.37Å; H53-C109 CarbonylContact O-C 3.51Å; H53-C109 VanDerWaalsContact O-CA 3.22Å; H53-C109 WeakPolarHBondContact O-CA 3.44Å; H53-G110 PolarHBondContact N-O 2.76Å; H53-G110 PolarHBondContact O-N 3.24Å |
| 54 | W | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 133.1 | 172.6 | -74.8 | 101.7 | 0 | 0 | 0 | 110.4 | I41 C43 L66 M67 S92 L94 F108 C109 | I41-W54 HydrophobicContact CB-CH2 4.32Å; I41-W54 HydrophobicContact CB-CZ3 4.34Å; I41-W54 HydrophobicContact CG2-CH2 4.05Å; I41-W54 HydrophobicContact CG2-CZ3 3.96Å; I41-W54 VanDerWaalsContact O-CH2 3.3Å; I41-W54 WeakPolarHBondContact O-CH2 3.48Å; C43-W54 HydrophobicContact CB-CH2 3.64Å; C43-W54 HydrophobicContact CB-CZ2 3.68Å; W54-L66 HydrophobicContact CB-CB 4.35Å; W54-L66 HydrophobicContact CB-CD1 4.45Å; W54-L66 WeakPolarHBondContact O-CB 3.17Å; W54-L66 PolarHBondContact O-N 3.2Å; W54-M67 HydrophobicContact CB-CG 4.24Å; W54-M67 PolarHBondContact N-O 3.43Å; W54-S92 PolarHBondContact NE1-OG 2.77Å; W54-L94 HydrophobicContact CB-CD1 4.23Å; W54-L94 HydrophobicContact CD2-CB 3.84Å; W54-L94 HydrophobicContact CD2-CD1 4.12Å; W54-L94 HydrophobicContact CD2-CD2 4.28Å; W54-L94 HydrophobicContact CD2-CG 4.31Å; W54-L94 HydrophobicContact CE3-CB 3.9Å; W54-L94 HydrophobicContact CE3-CD2 3.87Å; W54-L94 HydrophobicContact CE3-CG 4.33Å; W54-L94 HydrophobicContact CG-CD1 3.98Å; W54-L94 HydrophobicContact CH2-CB 3.84Å; W54-L94 HydrophobicContact CZ2-CB 3.79Å; W54-L94 HydrophobicContact CZ3-CB 3.9Å; W54-L94 HydrophobicContact CZ3-CD2 4.25Å; W54-F108 WeakPolarHBondContact CA-O 3.33Å; W54-C109 HydrophobicContact CD2-CB 4.27Å; W54-C109 HydrophobicContact CE3-CB 3.99Å; W54-C109 HydrophobicContact CH2-CB 4.01Å; W54-C109 HydrophobicContact CZ2-CB 4.26Å; W54-C109 HydrophobicContact CZ3-CB 3.86Å |
| 55 | Y | 97.6 | Very high | 94.7 | Very high | 77 Ų | 77 | 68.7 Ų | 68.7 | 30% | 0.302 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 155.2 | 177.1 | -58.7 | -95.7 | 0 | 0 | 0 | 110.4 | H53 V64 F65 Y107 F108 | H53-Y55 HydrophobicContact CB-CD2 4.31Å; H53-Y55 HydrophobicContact CB-CE2 3.45Å; H53-Y55 VanDerWaalsContact CB-CE2 3.45Å; Y55-V64 CarbonylContact C-O 3.57Å; Y55-V64 VanDerWaalsContact CA-O 3.23Å; Y55-V64 WeakPolarHBondContact CA-O 3.23Å; Y55-F65 HydrophobicContact CD1-CB 4.13Å; Y55-F65 HydrophobicContact CE1-CB 3.96Å; Y55-F65 HydrophobicContact CE1-CD2 4.02Å; Y55-Y107 WeakPolarHBondContact O-CA 3.45Å; Y55-F108 PolarHBondContact N-O 2.84Å; Y55-F108 PolarHBondContact O-N 2.97Å |
| 56 | R | 97 | Very high | 94.9 | Very high | 32 Ų | 32 | 70.2 Ų | 70.2 | 12% | 0.121 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 136.9 | 170.8 | -180 | -178.4 | 175 | -145 | -14.5 | 110.6 | K58 V64 L66 S102 Y103 S104 T106 Y107 | R56-K58 VanDerWaalsContact NH2-CE 3.35Å; R56-V64 PolarHBondContact N-O 2.85Å; R56-V64 PolarHBondContact O-N 3.24Å; R56-L66 HydrophobicContact CB-CD1 3.98Å; R56-L66 HydrophobicContact CB-CD2 4.05Å; R56-L66 HydrophobicContact CB-CG 4.11Å; R56-S102 PolarHBondContact NH1-O 3.01Å; R56-S102 VanDerWaalsContact NH2-C 3.33Å; R56-S102 PolarHBondContact NH2-O 3.22Å; R56-Y103 VanDerWaalsContact CZ-C 3.49Å; R56-Y103 VanDerWaalsContact CZ-CA 3.43Å; R56-Y103 PolarHBondContact NE-O 2.91Å; R56-Y103 PolarHBondContact NH2-O 3.44Å; R56-S104 PolarHBondContact NH2-O 2.93Å; R56-T106 CarbonylContact C-O 3.52Å; R56-T106 WeakPolarHBondContact CA-O 3.48Å; R56-Y107 HydrophobicContact CB-CD1 4.04Å; R56-Y107 HydrophobicContact CB-CE1 3.97Å; R56-Y107 HydrophobicContact CG-CD1 4.21Å; R56-Y107 HydrophobicContact CG-CE1 3.89Å; R56-Y107 HydrophobicContact CG-CE2 4.38Å |
| 57 | Q | 97.6 | Very high | 95.2 | Very high | 57 Ų | 57 | 65.5 Ų | 65.5 | 27% | 0.266 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 118.7 | 175 | -172.5 | -179.9 | 29.5 | 0 | 0 | 109.6 | E61 P63 G105 T106 F108 | Q57-E61 WeakPolarHBondContact CG-O 3.38Å; Q57-E61 PolarHBondContact NE2-O 3Å; Q57-P63 HydrophobicContact CB-CB 4.46Å; Q57-P63 HydrophobicContact CB-CG 4.34Å; Q57-P63 HydrophobicContact CG-CG 4.33Å; Q57-G105 CarbonylContact O-C 3.57Å; Q57-G105 VanDerWaalsContact O-CA 3.22Å; Q57-G105 WeakPolarHBondContact O-CA 3.34Å; Q57-T106 PolarHBondContact N-O 2.92Å; Q57-T106 PolarHBondContact O-N 3.28Å; Q57-F108 HydrophobicContact CB-CD2 4.41Å; Q57-F108 HydrophobicContact CB-CE2 3.69Å |
| 58 | K | 96.7 | Very high | 95.7 | Very high | 83 Ų | 83 | 63 Ų | 63 | 36% | 0.361 | 34% | 0.338 | S | S | . | . | trans | -77.4 | 158.8 | 166.7 | -72.3 | 177.1 | -179.7 | 172.8 | 0 | 110.1 | R56 G60 E61 | R56-K58 VanDerWaalsContact NH2-CE 3.35Å; K58-G60 PolarHBondContact O-N 2.83Å; K58-E61 HydrophobicContact CB-CB 4.18Å; K58-E61 HydrophobicContact CB-CG 4.12Å; K58-E61 WeakPolarHBondContact CD-OE1 3.49Å; K58-E61 PolarHBondContact O-N 2.99Å | ||
| 59 | H | 94.2 | Very high | 96 | Very high | 191 Ų | 191 | 60.7 Ų | 60.7 | 88% | 0.884 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 125.6 | 178 | -174.7 | 74.7 | 0 | 0 | 0 | 111.2 | E61 | H59-E61 VanDerWaalsContact C-N 3.25Å; H59-E61 PolarHBondContact O-N 3Å |
| 60 | G | 95.8 | Very high | 96.3 | Very high | 81 Ų | 81 | 65 Ų | 65 | 84% | 0.835 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.2 | -0.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | K58 | K58-G60 PolarHBondContact O-N 2.83Š|
| 61 | E | 96.8 | Very high | 96.5 | Very high | 101 Ų | 101 | 63.9 Ų | 63.9 | 47% | 0.472 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -106 | 166 | 179.9 | -64.1 | 179.6 | -150.4 | 0 | 0 | 111.5 | Q57 K58 H59 | Q57-E61 WeakPolarHBondContact CG-O 3.38Å; Q57-E61 PolarHBondContact NE2-O 3Å; K58-E61 HydrophobicContact CB-CB 4.18Å; K58-E61 HydrophobicContact CB-CG 4.12Å; K58-E61 WeakPolarHBondContact CD-OE1 3.49Å; K58-E61 PolarHBondContact O-N 2.99Å; H59-E61 VanDerWaalsContact C-N 3.25Å; H59-E61 PolarHBondContact O-N 3Å |
| 62 | A | 96.9 | Very high | 96.5 | Very high | 71 Ų | 71 | 65.1 Ų | 65.1 | 59% | 0.587 | 35% | 0.354 | S | S | * | . | trans | -77 | 155.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.2 | V64 | A62-V64 PolarHBondContact O-N 3.21Š| ||
| 63 | P | 97 | Very high | 96.4 | Very high | 71 Ų | 71 | 68.1 Ų | 68.1 | 46% | 0.461 | 39% | 0.385 | S | S | . | . | trans | -60.2 | 130.9 | 170.5 | -22.4 | 33.8 | 0 | 0 | 0 | 111.8 | Q57 | Q57-P63 HydrophobicContact CB-CB 4.46Å; Q57-P63 HydrophobicContact CB-CG 4.34Å; Q57-P63 HydrophobicContact CG-CG 4.33Å | ||
| 64 | V | 96.9 | Very high | 96.4 | Very high | 85 Ų | 85 | 69.4 Ų | 69.4 | 52% | 0.515 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 132.3 | 177.3 | 179.3 | 0 | 0 | 0 | 0 | 109 | Y55 R56 A62 | Y55-V64 CarbonylContact C-O 3.57Å; Y55-V64 VanDerWaalsContact CA-O 3.23Å; Y55-V64 WeakPolarHBondContact CA-O 3.23Å; R56-V64 PolarHBondContact N-O 2.85Å; R56-V64 PolarHBondContact O-N 3.24Å; A62-V64 PolarHBondContact O-N 3.21Å |
| 65 | F | 96.7 | Very high | 96.4 | Very high | 103 Ų | 103 | 76.9 Ų | 76.9 | 45% | 0.452 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 132.8 | 175 | 174.3 | -102.4 | 0 | 0 | 0 | 111 | Y55 M67 I68 | Y55-F65 HydrophobicContact CD1-CB 4.13Å; Y55-F65 HydrophobicContact CE1-CB 3.96Å; Y55-F65 HydrophobicContact CE1-CD2 4.02Å; F65-M67 VanDerWaalsContact CE2-O 3.31Å; F65-M67 WeakPolarHBondContact CE2-O 3.3Å; F65-M67 VanDerWaalsContact CZ-CA 3.41Å; F65-I68 HydrophobicContact CE2-CB 4.02Å; F65-I68 HydrophobicContact CZ-CB 3.88Å; F65-I68 HydrophobicContact CZ-CG2 4.01Å |
| 66 | L | 97.1 | Very high | 96.4 | Very high | 53 Ų | 53 | 76.7 Ų | 76.7 | 28% | 0.277 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | -58.1 | 173.9 | -61.6 | 177.8 | 0 | 0 | 0 | 111 | W54 R56 I81 L94 Y107 | W54-L66 HydrophobicContact CB-CB 4.35Å; W54-L66 HydrophobicContact CB-CD1 4.45Å; W54-L66 WeakPolarHBondContact O-CB 3.17Å; W54-L66 PolarHBondContact O-N 3.2Å; R56-L66 HydrophobicContact CB-CD1 3.98Å; R56-L66 HydrophobicContact CB-CD2 4.05Å; R56-L66 HydrophobicContact CB-CG 4.11Å; L66-I81 HydrophobicContact CD1-CG2 4.39Å; L66-L94 HydrophobicContact CD1-CD2 4.4Å; L66-Y107 HydrophobicContact CD1-CD1 4.01Å; L66-Y107 HydrophobicContact CD1-CE1 3.96Å |
| 67 | M | 97.4 | Very high | 96.3 | Very high | 18 Ų | 18 | 77.7 Ų | 77.7 | 9% | 0.089 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.2 | 162.6 | -174.1 | 62.1 | -167.7 | 79.1 | 0 | 0 | 112.2 | W54 F65 K76 I81 A83 L94 | W54-M67 HydrophobicContact CB-CG 4.24Å; W54-M67 PolarHBondContact N-O 3.43Å; F65-M67 VanDerWaalsContact CE2-O 3.31Å; F65-M67 WeakPolarHBondContact CE2-O 3.3Å; F65-M67 VanDerWaalsContact CZ-CA 3.41Å; M67-K76 HydrophobicContact SD-CB 4.11Å; M67-I81 HydrophobicContact CE-CG2 4.03Å; M67-A83 HydrophobicContact CG-CB 4.33Å; M67-A83 HydrophobicContact SD-CB 3.48Å; M67-A83 WeakPolarHBondContact SD-CB 3.47Å; M67-L94 HydrophobicContact CE-CD1 4.39Å |
| 68 | I | 97.5 | Very high | 96 | Very high | 42 Ų | 42 | 81.4 Ų | 81.4 | 22% | 0.215 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 133.4 | 175.9 | -172.6 | -179.6 | 0 | 0 | 0 | 110 | V52 H53 F65 L70 K76 | V52-I68 CarbonylContact O-C 3.55Å; V52-I68 WeakPolarHBondContact O-CA 3.22Å; H53-I68 WeakPolarHBondContact NE2-CD1 3.37Å; F65-I68 HydrophobicContact CE2-CB 4.02Å; F65-I68 HydrophobicContact CZ-CB 3.88Å; F65-I68 HydrophobicContact CZ-CG2 4.01Å; I68-L70 HydrophobicContact CD1-CD2 3.5Å; I68-L70 VanDerWaalsContact CD1-CD2 3.5Å; I68-L70 HydrophobicContact CD1-CG 4.18Å; I68-L70 HydrophobicContact CG1-CD2 3.98Å; I68-L70 HydrophobicContact CG1-CG 4.3Å; I68-K76 VanDerWaalsContact O-CD 3.29Å; I68-K76 WeakPolarHBondContact O-CD 3.31Å; I68-K76 PolarHBondContact O-NZ 3.03Å |
| 69 | L | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 84 Ų | 84 | 0% | 0 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 122.2 | 170.9 | -55.6 | 99 | 0 | 0 | 0 | 108.2 | S51 V52 E74 A83 F85 | S51-L69 CarbonylContact C-O 3.5Å; S51-L69 VanDerWaalsContact CA-O 3.27Å; S51-L69 WeakPolarHBondContact CA-O 3.39Å; V52-L69 PolarHBondContact N-O 3.23Å; V52-L69 PolarHBondContact O-N 2.81Å; L69-E74 WeakPolarHBondContact CA-OE2 3.34Å; L69-E74 HydrophobicContact CD2-CB 4.4Å; L69-E74 WeakPolarHBondContact CD2-O 2.85Å; L69-A83 HydrophobicContact CD1-CB 3.77Å; L69-A83 HydrophobicContact CD2-CB 4.27Å; L69-F85 HydrophobicContact CB-CB 3.82Å; L69-F85 HydrophobicContact CD2-CB 3.85Å; L69-F85 HydrophobicContact CG-CB 4.39Å |
| 70 | L | 95.6 | Very high | 95.8 | Very high | 96 Ų | 96 | 78.3 Ų | 78.3 | 50% | 0.503 | 45% | 0.454 | S | S | . | . | trans | -105.2 | -18.2 | -172.9 | -67.7 | 173.8 | 0 | 0 | 0 | 112.9 | I68 E74 | I68-L70 HydrophobicContact CD1-CD2 3.5Å; I68-L70 VanDerWaalsContact CD1-CD2 3.5Å; I68-L70 HydrophobicContact CD1-CG 4.18Å; I68-L70 HydrophobicContact CG1-CD2 3.98Å; I68-L70 HydrophobicContact CG1-CG 4.3Å; L70-E74 PolarHBondContact N-OE2 2.69Å | ||
| 71 | K | 93 | Very high | 95.8 | Very high | 154 Ų | 154 | 75.3 Ų | 75.3 | 67% | 0.67 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -133.9 | 144.3 | -174.6 | -63.6 | -177 | -177.4 | 178.9 | 0 | 112.1 | G73 E74 F85 | K71-G73 PolarHBondContact O-N 2.02Å; K71-E74 PolarHBondContact N-OE2 2.68Å; K71-E74 VanDerWaalsContact N-OE2 3.14Å; K71-E74 WeakPolarHBondContact O-CB 3.1Å; K71-E74 PolarHBondContact O-N 2.95Å; K71-F85 WeakPolarHBondContact O-CD1 3.44Å |
| 72 | G | 92.7 | Very high | 95.9 | Very high | 33 Ų | 33 | 72.7 Ų | 72.7 | 34% | 0.34 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 133.6 | 170 | 0 | 0 | 0 | 0 | 0 | 111.9 | E74 E87 | G72-E74 VanDerWaalsContact C-N 3.27Å; G72-E74 PolarHBondContact O-N 2.94Å; G72-E87 WeakPolarHBondContact CA-OE2 3.47Å |
| 73 | G | 94.9 | Very high | 96 | Very high | 63 Ų | 63 | 69.4 Ų | 69.4 | 65% | 0.649 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | -5.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | K71 F85 | K71-G73 PolarHBondContact O-N 2.02Å; G73-F85 WeakPolarHBondContact CA-O 3.22Å; G73-F85 PolarHBondContact N-O 3.09Å |
| 74 | E | 97 | Very high | 96 | Very high | 47 Ų | 47 | 66.9 Ų | 66.9 | 22% | 0.22 | 37% | 0.369 | C | S | . | . | trans | -64.8 | 142.7 | 177.9 | -168.4 | 170.2 | -163.8 | 0 | 0 | 111.2 | L69 L70 K71 G72 K76 S84 F85 | L69-E74 WeakPolarHBondContact CA-OE2 3.34Å; L69-E74 HydrophobicContact CD2-CB 4.4Å; L69-E74 WeakPolarHBondContact CD2-O 2.85Å; L70-E74 PolarHBondContact N-OE2 2.69Å; K71-E74 PolarHBondContact N-OE2 2.68Å; K71-E74 VanDerWaalsContact N-OE2 3.14Å; K71-E74 WeakPolarHBondContact O-CB 3.1Å; K71-E74 PolarHBondContact O-N 2.95Å; G72-E74 VanDerWaalsContact C-N 3.27Å; G72-E74 PolarHBondContact O-N 2.94Å; E74-K76 HydrophobicContact CG-CG 4.34Å; E74-K76 WeakPolarHBondContact OE1-CE 3.36Å; E74-K76 IonicContact OE1-NZ 2.68Å; E74-K76 PolarHBondContact OE1-NZ 3.14Å; E74-K76 IonicContact OE2-NZ 3.96Å; E74-S84 WeakPolarHBondContact O-CA 3.29Å; E74-F85 PolarHBondContact O-N 2.79Å | ||
| 75 | Q | 97.7 | Very high | 96.1 | Very high | 157 Ų | 157 | 63.1 Ų | 63.1 | 73% | 0.734 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 133.8 | 170.8 | -65 | -175.9 | -1.9 | 0 | 0 | 108.4 | A83 | Q75-A83 VanDerWaalsContact CA-O 3.31Å; Q75-A83 WeakPolarHBondContact CA-O 2.96Å |
| 76 | K | 97.9 | Very high | 96.1 | Very high | 73 Ų | 73 | 61.1 Ų | 61.1 | 32% | 0.317 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 155 | 176 | -74.5 | -171.5 | 175.1 | 142 | 0 | 109.7 | M67 I68 E74 S82 A83 | M67-K76 HydrophobicContact SD-CB 4.11Å; I68-K76 VanDerWaalsContact O-CD 3.29Å; I68-K76 WeakPolarHBondContact O-CD 3.31Å; I68-K76 PolarHBondContact O-NZ 3.03Å; E74-K76 HydrophobicContact CG-CG 4.34Å; E74-K76 WeakPolarHBondContact OE1-CE 3.36Å; E74-K76 IonicContact OE1-NZ 2.68Å; E74-K76 PolarHBondContact OE1-NZ 3.14Å; E74-K76 IonicContact OE2-NZ 3.96Å; K76-S82 CarbonylContact O-C 3.55Å; K76-S82 WeakPolarHBondContact O-CA 3.49Å; K76-S82 WeakPolarHBondContact O-CB 3.49Å; K76-A83 PolarHBondContact N-O 3.2Å; K76-A83 PolarHBondContact O-N 3.35Å |
| 77 | G | 95.4 | Very high | 95.9 | Very high | 52 Ų | 52 | 63.8 Ų | 63.8 | 54% | 0.536 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.2 | 163 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I81 | G77-I81 CarbonylContact C-O 3.58Å; G77-I81 WeakPolarHBondContact CA-O 3.19Å |
| 78 | H | 91.9 | Very high | 95.8 | Very high | 135 Ų | 135 | 72.8 Ų | 72.8 | 63% | 0.625 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 131.4 | 170.4 | -173.2 | -82.6 | 0 | 0 | 0 | 107.7 | K80 I81 | H78-K80 PolarHBondContact O-N 3.49Å; H78-I81 PolarHBondContact N-O 3.41Å; H78-I81 PolarHBondContact O-N 2.84Å; H78-I81 VanDerWaalsContact O-N 3.08Å; H78-I81 VanDerWaalsContact O-O 3.08Å |
| 79 | D | 90.1 | Very high | 95.7 | Very high | 138 Ų | 138 | 77.5 Ų | 77.5 | 74% | 0.738 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | -117.6 | -173.4 | -53.7 | -41.3 | 0 | 0 | 0 | 112.6 | ||
| 80 | K | 94.8 | Very high | 95.5 | Very high | 71 Ų | 71 | 79.6 Ų | 79.6 | 31% | 0.309 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 2.7 | -175 | -69.8 | 176.6 | 171.5 | -171.9 | 0 | 113.6 | H78 T97 A98 Y103 | H78-K80 PolarHBondContact O-N 3.49Å; K80-T97 VanDerWaalsContact CA-OG1 3.29Å; K80-T97 WeakPolarHBondContact CA-OG1 3.41Å; K80-T97 VanDerWaalsContact CB-O 3.3Å; K80-T97 WeakPolarHBondContact CB-O 3.3Å; K80-T97 WeakPolarHBondContact CB-OG1 3.38Å; K80-T97 WeakPolarHBondContact CD-O 3.27Å; K80-T97 PolarHBondContact O-N 3.23Å; K80-T97 PolarHBondContact O-OG1 2.92Å; K80-A98 HydrophobicContact CD-CB 4.09Å; K80-A98 PolarHBondContact NZ-O 3.4Å; K80-Y103 HydrophobicContact CB-CE2 3.91Å; K80-Y103 HydrophobicContact CD-CE2 4.14Å |
| 81 | I | 97 | Very high | 95.6 | Very high | 19 Ų | 19 | 77.7 Ų | 77.7 | 10% | 0.097 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 116.4 | 178.6 | -54.4 | -173.7 | 0 | 0 | 0 | 108.4 | L66 M67 G77 H78 L94 Y95 L96 Y103 | L66-I81 HydrophobicContact CD1-CG2 4.39Å; M67-I81 HydrophobicContact CE-CG2 4.03Å; G77-I81 CarbonylContact C-O 3.58Å; G77-I81 WeakPolarHBondContact CA-O 3.19Å; H78-I81 PolarHBondContact N-O 3.41Å; H78-I81 PolarHBondContact O-N 2.84Å; H78-I81 VanDerWaalsContact O-N 3.08Å; H78-I81 VanDerWaalsContact O-O 3.08Å; I81-L94 HydrophobicContact CG2-CD1 3.84Å; I81-L94 HydrophobicContact CG2-CG 4.42Å; I81-Y95 WeakPolarHBondContact CA-O 3.5Å; I81-L96 HydrophobicContact CB-CD2 4.28Å; I81-L96 HydrophobicContact CD1-CD2 3.88Å; I81-L96 HydrophobicContact CG1-CD2 3.68Å; I81-L96 HydrophobicContact CG2-CD2 3.93Å; I81-Y103 HydrophobicContact CD1-CD1 4.25Å; I81-Y103 HydrophobicContact CD1-CE1 4.29Å; I81-Y103 HydrophobicContact CG1-CE2 4.5Å |
| 82 | S | 98.2 | Very high | 95.8 | Very high | 45 Ų | 45 | 70.3 Ų | 70.3 | 32% | 0.315 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 162.2 | 176.5 | 66.8 | 0 | 0 | 0 | 0 | 111.1 | K76 L94 Y95 | K76-S82 CarbonylContact O-C 3.55Å; K76-S82 WeakPolarHBondContact O-CA 3.49Å; K76-S82 WeakPolarHBondContact O-CB 3.49Å; S82-L94 CarbonylContact O-C 3.54Å; S82-L94 WeakPolarHBondContact O-CA 3.46Å; S82-L94 WeakPolarHBondContact O-CD1 3.28Å; S82-Y95 PolarHBondContact N-O 2.86Å; S82-Y95 PolarHBondContact O-N 2.95Å |
| 83 | A | 98.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 69.1 Ų | 69.1 | 2% | 0.017 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 152.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | M67 L69 Q75 K76 S93 L94 | M67-A83 HydrophobicContact CG-CB 4.33Å; M67-A83 HydrophobicContact SD-CB 3.48Å; M67-A83 WeakPolarHBondContact SD-CB 3.47Å; L69-A83 HydrophobicContact CD1-CB 3.77Å; L69-A83 HydrophobicContact CD2-CB 4.27Å; Q75-A83 VanDerWaalsContact CA-O 3.31Å; Q75-A83 WeakPolarHBondContact CA-O 2.96Å; K76-A83 PolarHBondContact N-O 3.2Å; K76-A83 PolarHBondContact O-N 3.35Å; A83-S93 CarbonylContact C-O 3.56Å; A83-S93 WeakPolarHBondContact CA-O 3.44Å; A83-L94 HydrophobicContact CB-CD1 4.01Å |
| 84 | S | 98.3 | Very high | 96.3 | Very high | 18 Ų | 18 | 66.1 Ų | 66.1 | 13% | 0.126 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 148.6 | 172.7 | 65.4 | 0 | 0 | 0 | 0 | 110.4 | E74 S92 S93 Y95 | E74-S84 WeakPolarHBondContact O-CA 3.29Å; S84-S92 CarbonylContact O-C 3.48Å; S84-S92 WeakPolarHBondContact O-CA 3.42Å; S84-S92 WeakPolarHBondContact O-CB 2.95Å; S84-S92 PolarHBondContact O-OG 3.06Å; S84-S93 PolarHBondContact N-O 3.47Å; S84-S93 PolarHBondContact O-N 3.25Å; S84-Y95 WeakPolarHBondContact OG-CE2 3.42Å; S84-Y95 PolarHBondContact OG-OH 3.3Å; S84-Y95 VanDerWaalsContact OG-OH 3.05Å |
| 85 | F | 98 | Very high | 96.3 | Very high | 6 Ų | 6 | 67.7 Ų | 67.7 | 3% | 0.026 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 119.4 | 173.2 | 177.8 | -146 | 0 | 0 | 0 | 111.1 | L49 V52 L69 K71 G73 E74 E87 | L49-F85 HydrophobicContact CB-CE2 3.9Å; L49-F85 HydrophobicContact CB-CZ 3.79Å; L49-F85 HydrophobicContact CD1-CE2 4.2Å; L49-F85 WeakPolarHBondContact O-CZ 3.48Å; V52-F85 HydrophobicContact CG2-CD2 4.11Å; V52-F85 HydrophobicContact CG2-CE2 4.26Å; V52-F85 HydrophobicContact CG2-CG 4.43Å; L69-F85 HydrophobicContact CB-CB 3.82Å; L69-F85 HydrophobicContact CD2-CB 3.85Å; L69-F85 HydrophobicContact CG-CB 4.39Å; K71-F85 WeakPolarHBondContact O-CD1 3.44Å; G73-F85 WeakPolarHBondContact CA-O 3.22Å; G73-F85 PolarHBondContact N-O 3.09Å; E74-F85 PolarHBondContact O-N 2.79Å; F85-E87 HydrophobicContact CE1-CB 4.34Å; F85-E87 HydrophobicContact CZ-CB 4.06Å |
| 86 | N | 97.1 | Very high | 96.3 | Very high | 61 Ų | 61 | 60.6 Ų | 60.6 | 33% | 0.326 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 95.7 | 174.2 | -170.9 | -37 | 0 | 0 | 0 | 109.8 | K88 K89 Q90 Q91 | N86-K88 VanDerWaalsContact C-N 3.34Å; N86-K88 PolarHBondContact O-N 3.06Å; N86-K88 PolarHBondContact OD1-N 2.67Å; N86-K89 HydrophobicContact CB-CB 4.24Å; N86-K89 CarbonylContact O-C 3.54Å; N86-K89 PolarHBondContact O-N 3.09Å; N86-K89 PolarHBondContact OD1-N 3.31Å; N86-Q90 PolarHBondContact O-N 3.13Å; N86-Q91 WeakPolarHBondContact CA-O 3.41Å; N86-Q91 WeakPolarHBondContact CB-O 3.41Å; N86-Q91 PolarHBondContact N-O 3.43Å; N86-Q91 PolarHBondContact O-N 3.19Å |
| 87 | E | 93.5 | Very high | 96.3 | Very high | 109 Ų | 109 | 59.8 Ų | 59.8 | 51% | 0.509 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -60.9 | -39.9 | 178.9 | 179.1 | 179.8 | -171.9 | 0 | 0 | 112.3 | G72 F85 K89 Q90 | G72-E87 WeakPolarHBondContact CA-OE2 3.47Å; F85-E87 HydrophobicContact CE1-CB 4.34Å; F85-E87 HydrophobicContact CZ-CB 4.06Å; E87-K89 PolarHBondContact O-N 3.38Å; E87-Q90 PolarHBondContact O-N 2.95Å; E87-Q90 PolarHBondContact O-NE2 2.97Å |
| 88 | K | 94 | Very high | 96.4 | Very high | 207 Ų | 207 | 58.9 Ų | 58.9 | 90% | 0.9 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -60.2 | -34.7 | 178.7 | -66.4 | -175 | 179.5 | -179.4 | 0 | 112.6 | N86 | N86-K88 VanDerWaalsContact C-N 3.34Å; N86-K88 PolarHBondContact O-N 3.06Å; N86-K88 PolarHBondContact OD1-N 2.67Å |
| 89 | K | 95.5 | Very high | 96.5 | Very high | 142 Ų | 142 | 52.9 Ų | 52.9 | 62% | 0.617 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -93 | -3.2 | 177.7 | -66.2 | -172.9 | 177.7 | -175.8 | 0 | 113.3 | N86 E87 Q91 | N86-K89 HydrophobicContact CB-CB 4.24Å; N86-K89 CarbonylContact O-C 3.54Å; N86-K89 PolarHBondContact O-N 3.09Å; N86-K89 PolarHBondContact OD1-N 3.31Å; E87-K89 PolarHBondContact O-N 3.38Å; K89-Q91 HydrophobicContact CB-CB 3.97Å; K89-Q91 PolarHBondContact O-N 2.98Å |
| 90 | Q | 94.8 | Very high | 96.7 | Very high | 43 Ų | 43 | 50.1 Ų | 50.1 | 20% | 0.201 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.4 | 46.8 | -169.9 | -59.5 | -58.9 | -22 | 0 | 0 | 111.5 | S44 S45 L49 N86 E87 | S44-Q90 WeakPolarHBondContact CA-O 3.27Å; S45-Q90 PolarHBondContact N-O 3.34Å; S45-Q90 VanDerWaalsContact O-CB 3.32Å; S45-Q90 WeakPolarHBondContact O-CB 3.34Å; L49-Q90 VanDerWaalsContact CD1-O 3.31Å; L49-Q90 WeakPolarHBondContact CD1-O 3.48Å; N86-Q90 PolarHBondContact O-N 3.13Å; E87-Q90 PolarHBondContact O-N 2.95Å; E87-Q90 PolarHBondContact O-NE2 2.97Å |
| 91 | Q | 97.1 | Very high | 96.6 | Very high | 56 Ų | 56 | 53.3 Ų | 53.3 | 26% | 0.262 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 129.8 | -172.2 | -174.9 | -173.3 | -58.3 | 0 | 0 | 110.9 | N42 C43 N86 K89 S93 | N42-Q91 PolarHBondContact OD1-NE2 2.86Å; C43-Q91 CarbonylContact O-C 3.59Å; C43-Q91 VanDerWaalsContact O-CA 3.28Å; C43-Q91 WeakPolarHBondContact O-CA 3.1Å; N86-Q91 WeakPolarHBondContact CA-O 3.41Å; N86-Q91 WeakPolarHBondContact CB-O 3.41Å; N86-Q91 PolarHBondContact N-O 3.43Å; N86-Q91 PolarHBondContact O-N 3.19Å; K89-Q91 HydrophobicContact CB-CB 3.97Å; K89-Q91 PolarHBondContact O-N 2.98Å; Q91-S93 PolarHBondContact NE2-OG 3.03Å; Q91-S93 VanDerWaalsContact NE2-OG 3.17Å |
| 92 | S | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 150.8 | 161.1 | -170.9 | 0 | 0 | 0 | 0 | 110.7 | N42 C43 W54 S84 | N42-S92 WeakPolarHBondContact CA-O 3.47Å; C43-S92 PolarHBondContact N-O 3.37Å; C43-S92 PolarHBondContact O-N 3.32Å; W54-S92 PolarHBondContact NE1-OG 2.77Å; S84-S92 CarbonylContact O-C 3.48Å; S84-S92 WeakPolarHBondContact O-CA 3.42Å; S84-S92 WeakPolarHBondContact O-CB 2.95Å; S84-S92 PolarHBondContact O-OG 3.06Å |
| 93 | S | 98.5 | Very high | 96.1 | Very high | 7 Ų | 7 | 54.8 Ų | 54.8 | 5% | 0.049 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 128.3 | 175.9 | -61.7 | 0 | 0 | 0 | 0 | 108.3 | I41 N42 A83 S84 Q91 Y95 | I41-S93 CarbonylContact O-C 3.57Å; I41-S93 WeakPolarHBondContact O-CA 3.19Å; N42-S93 WeakPolarHBondContact OD1-CB 3.31Å; N42-S93 PolarHBondContact OD1-OG 3.47Å; A83-S93 CarbonylContact C-O 3.56Å; A83-S93 WeakPolarHBondContact CA-O 3.44Å; S84-S93 PolarHBondContact N-O 3.47Å; S84-S93 PolarHBondContact O-N 3.25Å; Q91-S93 PolarHBondContact NE2-OG 3.03Å; Q91-S93 VanDerWaalsContact NE2-OG 3.17Å; S93-Y95 WeakPolarHBondContact CB-OH 3.45Å; S93-Y95 WeakPolarHBondContact O-CE2 3.39Å |
| 94 | L | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 127 | 170.5 | -174 | 77.5 | 0 | 0 | 0 | 108.4 | V40 I41 W54 L66 M67 I81 S82 A83 L96 Y107 | V40-L94 CarbonylContact C-O 3.5Å; V40-L94 VanDerWaalsContact CA-O 3.3Å; V40-L94 WeakPolarHBondContact CA-O 3.5Å; I41-L94 HydrophobicContact CB-CB 4.35Å; I41-L94 HydrophobicContact CD1-CD2 4.45Å; I41-L94 PolarHBondContact N-O 3.37Å; I41-L94 PolarHBondContact O-N 2.97Å; W54-L94 HydrophobicContact CB-CD1 4.23Å; W54-L94 HydrophobicContact CD2-CB 3.84Å; W54-L94 HydrophobicContact CD2-CD1 4.12Å; W54-L94 HydrophobicContact CD2-CD2 4.28Å; W54-L94 HydrophobicContact CD2-CG 4.31Å; W54-L94 HydrophobicContact CE3-CB 3.9Å; W54-L94 HydrophobicContact CE3-CD2 3.87Å; W54-L94 HydrophobicContact CE3-CG 4.33Å; W54-L94 HydrophobicContact CG-CD1 3.98Å; W54-L94 HydrophobicContact CH2-CB 3.84Å; W54-L94 HydrophobicContact CZ2-CB 3.79Å; W54-L94 HydrophobicContact CZ3-CB 3.9Å; W54-L94 HydrophobicContact CZ3-CD2 4.25Å; L66-L94 HydrophobicContact CD1-CD2 4.4Å; M67-L94 HydrophobicContact CE-CD1 4.39Å; I81-L94 HydrophobicContact CG2-CD1 3.84Å; I81-L94 HydrophobicContact CG2-CG 4.42Å; S82-L94 CarbonylContact O-C 3.54Å; S82-L94 WeakPolarHBondContact O-CA 3.46Å; S82-L94 WeakPolarHBondContact O-CD1 3.28Å; A83-L94 HydrophobicContact CB-CD1 4.01Å; L94-L96 HydrophobicContact CD2-CD2 4.49Å; L94-Y107 HydrophobicContact CD2-CD1 3.29Å; L94-Y107 HydrophobicContact CD2-CE1 3.78Å; L94-Y107 HydrophobicContact CD2-CG 4.02Å |
| 95 | Y | 98.4 | Very high | 95.9 | Very high | 81 Ų | 81 | 59.8 Ų | 59.8 | 32% | 0.318 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 125 | 179.9 | -51.4 | -91.8 | 0 | 0 | 0 | 108.8 | A39 V40 I81 S82 S84 S93 | A39-Y95 WeakPolarHBondContact O-CA 3.32Å; V40-Y95 HydrophobicContact CB-CD1 4.42Å; V40-Y95 HydrophobicContact CG1-CD1 4.03Å; V40-Y95 HydrophobicContact CG1-CE1 3.9Å; V40-Y95 HydrophobicContact CG2-CD1 3.62Å; V40-Y95 HydrophobicContact CG2-CE1 4Å; I81-Y95 WeakPolarHBondContact CA-O 3.5Å; S82-Y95 PolarHBondContact N-O 2.86Å; S82-Y95 PolarHBondContact O-N 2.95Å; S84-Y95 WeakPolarHBondContact OG-CE2 3.42Å; S84-Y95 PolarHBondContact OG-OH 3.3Å; S84-Y95 VanDerWaalsContact OG-OH 3.05Å; S93-Y95 WeakPolarHBondContact CB-OH 3.45Å; S93-Y95 WeakPolarHBondContact O-CE2 3.39Å |
| 96 | L | 97.5 | Very high | 95.8 | Very high | 8 Ų | 8 | 63.1 Ų | 63.1 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 114.3 | 168.2 | -56 | 175.9 | 0 | 0 | 0 | 106.1 | D38 A39 I81 L94 Y107 | D38-L96 CarbonylContact C-O 3.56Å; D38-L96 VanDerWaalsContact CA-O 3.23Å; D38-L96 WeakPolarHBondContact CA-O 3.37Å; A39-L96 HydrophobicContact CB-CB 4.45Å; A39-L96 PolarHBondContact N-O 2.78Å; A39-L96 PolarHBondContact O-N 2.85Å; I81-L96 HydrophobicContact CB-CD2 4.28Å; I81-L96 HydrophobicContact CD1-CD2 3.88Å; I81-L96 HydrophobicContact CG1-CD2 3.68Å; I81-L96 HydrophobicContact CG2-CD2 3.93Å; L94-L96 HydrophobicContact CD2-CD2 4.49Å; L96-Y107 HydrophobicContact CD1-CD2 4.47Å; L96-Y107 HydrophobicContact CD1-CE1 4.36Å; L96-Y107 HydrophobicContact CD1-CE2 3.77Å; L96-Y107 HydrophobicContact CD2-CE1 3.88Å; L96-Y107 WeakPolarHBondContact CD2-OH 3.35Å |
| 97 | T | 97.5 | Very high | 95.8 | Very high | 56 Ų | 56 | 61.2 Ų | 61.2 | 34% | 0.344 | 32% | 0.323 | S | S | . | . | trans | -102.9 | 145.9 | 178.5 | 54.7 | 0 | 0 | 0 | 0 | 110.3 | D38 K80 S99 | D38-T97 WeakPolarHBondContact OD1-CA 3.34Å; K80-T97 VanDerWaalsContact CA-OG1 3.29Å; K80-T97 WeakPolarHBondContact CA-OG1 3.41Å; K80-T97 VanDerWaalsContact CB-O 3.3Å; K80-T97 WeakPolarHBondContact CB-O 3.3Å; K80-T97 WeakPolarHBondContact CB-OG1 3.38Å; K80-T97 WeakPolarHBondContact CD-O 3.27Å; K80-T97 PolarHBondContact O-N 3.23Å; K80-T97 PolarHBondContact O-OG1 2.92Å; T97-S99 VanDerWaalsContact C-N 3.31Å; T97-S99 PolarHBondContact O-N 3.49Å | ||
| 98 | A | 96.6 | Very high | 96 | Very high | 33 Ų | 33 | 59.5 Ų | 59.5 | 27% | 0.273 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 42.2 | 57.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D38 K80 | D38-A98 PolarHBondContact OD1-N 2.94Å; K80-A98 HydrophobicContact CD-CB 4.09Å; K80-A98 PolarHBondContact NZ-O 3.4Å |
| 99 | S | 94.6 | Very high | 96.1 | Very high | 9 Ų | 9 | 50.1 Ų | 50.1 | 6% | 0.063 | 27% | 0.274 | C | S | . | . | trans | -53 | 147.4 | -168.3 | -65.8 | 0 | 0 | 0 | 0 | 112.5 | E35 G36 E37 T97 | E35-S99 CarbonylContact C-O 3.5Å; E35-S99 VanDerWaalsContact CA-O 3.24Å; E35-S99 WeakPolarHBondContact CA-O 3.39Å; G36-S99 PolarHBondContact N-O 2.93Å; E37-S99 WeakPolarHBondContact O-CB 3.22Å; E37-S99 PolarHBondContact O-N 3.46Å; E37-S99 PolarHBondContact O-OG 2.65Å; T97-S99 VanDerWaalsContact C-N 3.31Å; T97-S99 PolarHBondContact O-N 3.49Å | ||
| 100 | Q | 94.3 | Very high | 96 | Very high | 79 Ų | 79 | 44.5 Ų | 44.5 | 37% | 0.369 | 26% | 0.256 | S | S | . | . | trans | -125.8 | 157.5 | 178.7 | -65.2 | 174.7 | 79 | 0 | 0 | 108.9 | S102 Y103 | Q100-S102 PolarHBondContact O-N 3.41Å; Q100-S102 VanDerWaalsContact O-N 3.08Å; Q100-Y103 HydrophobicContact CB-CD2 4.42Å; Q100-Y103 HydrophobicContact CB-CE2 4.43Å; Q100-Y103 HydrophobicContact CG-CE2 4.47Å; Q100-Y103 PolarHBondContact NE2-OH 3.49Å; Q100-Y103 VanDerWaalsContact NE2-OH 3.1Å; Q100-Y103 WeakPolarHBondContact O-CB 3.43Å; Q100-Y103 PolarHBondContact O-N 3.04Å | ||
| 101 | L | 92.5 | Very high | 95.7 | Very high | 138 Ų | 138 | 45 Ų | 45 | 72% | 0.723 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -52.2 | -34.8 | 174.4 | -73.9 | 171.1 | 0 | 0 | 0 | 112.1 | E35 Y103 S104 | E35-L101 HydrophobicContact CG-CG 4.17Å; E35-L101 VanDerWaalsContact OE1-CG 3.3Å; E35-L101 WeakPolarHBondContact OE1-CG 3.38Å; E35-L101 PolarHBondContact OE1-N 2.79Å; L101-Y103 PolarHBondContact O-N 2.9Å; L101-S104 WeakPolarHBondContact O-CB 3.46Å; L101-S104 PolarHBondContact O-N 3.46Å; L101-S104 VanDerWaalsContact O-N 3.09Å |
| 102 | S | 92.1 | Very high | 94.7 | Very high | 63 Ų | 63 | 52 Ų | 52 | 44% | 0.441 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -64.8 | -7.5 | 177.1 | 72 | 0 | 0 | 0 | 0 | 114.3 | R56 Q100 | R56-S102 PolarHBondContact NH1-O 3.01Å; R56-S102 VanDerWaalsContact NH2-C 3.33Å; R56-S102 PolarHBondContact NH2-O 3.22Å; Q100-S102 PolarHBondContact O-N 3.41Å; Q100-S102 VanDerWaalsContact O-N 3.08Å |
| 103 | Y | 93.4 | Very high | 94.6 | Very high | 32 Ų | 32 | 54.6 Ų | 54.6 | 13% | 0.125 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -97.8 | -8.9 | 175.6 | -60.5 | -13.3 | 0 | 0 | 0 | 113.5 | R56 K80 I81 Q100 L101 G105 Y107 | R56-Y103 VanDerWaalsContact CZ-C 3.49Å; R56-Y103 VanDerWaalsContact CZ-CA 3.43Å; R56-Y103 PolarHBondContact NE-O 2.91Å; R56-Y103 PolarHBondContact NH2-O 3.44Å; K80-Y103 HydrophobicContact CB-CE2 3.91Å; K80-Y103 HydrophobicContact CD-CE2 4.14Å; I81-Y103 HydrophobicContact CD1-CD1 4.25Å; I81-Y103 HydrophobicContact CD1-CE1 4.29Å; I81-Y103 HydrophobicContact CG1-CE2 4.5Å; Q100-Y103 HydrophobicContact CB-CD2 4.42Å; Q100-Y103 HydrophobicContact CB-CE2 4.43Å; Q100-Y103 HydrophobicContact CG-CE2 4.47Å; Q100-Y103 PolarHBondContact NE2-OH 3.49Å; Q100-Y103 VanDerWaalsContact NE2-OH 3.1Å; Q100-Y103 WeakPolarHBondContact O-CB 3.43Å; Q100-Y103 PolarHBondContact O-N 3.04Å; L101-Y103 PolarHBondContact O-N 2.9Å; Y103-G105 PolarHBondContact O-N 3.33Å; Y103-Y107 WeakPolarHBondContact O-CE2 3.45Å; Y103-Y107 PolarHBondContact O-OH 3Å |
| 104 | S | 94.8 | Very high | 94.3 | Very high | 91 Ų | 91 | 57.1 Ų | 57.1 | 64% | 0.636 | 32% | 0.323 | S | S | * | . | trans | -56.4 | 131.8 | 175.8 | -177.2 | 0 | 0 | 0 | 0 | 112.3 | R56 L101 | R56-S104 PolarHBondContact NH2-O 2.93Å; L101-S104 WeakPolarHBondContact O-CB 3.46Å; L101-S104 PolarHBondContact O-N 3.46Å; L101-S104 VanDerWaalsContact O-N 3.09Å | ||
| 105 | G | 96.3 | Very high | 94.1 | Very high | 35 Ų | 35 | 60.2 Ų | 60.2 | 36% | 0.361 | 34% | 0.341 | S | S | . | . | S | Bend | trans | 157.9 | 178.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q57 Y103 | Q57-G105 CarbonylContact O-C 3.57Å; Q57-G105 VanDerWaalsContact O-CA 3.22Å; Q57-G105 WeakPolarHBondContact O-CA 3.34Å; Y103-G105 PolarHBondContact O-N 3.33Å |
| 106 | T | 97.3 | Very high | 93.9 | Very high | 76 Ų | 76 | 59 Ų | 59 | 47% | 0.466 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 132.8 | 173.7 | -49.3 | 0 | 0 | 0 | 0 | 109.3 | R56 Q57 F108 | R56-T106 CarbonylContact C-O 3.52Å; R56-T106 WeakPolarHBondContact CA-O 3.48Å; Q57-T106 PolarHBondContact N-O 2.92Å; Q57-T106 PolarHBondContact O-N 3.28Å; T106-F108 HydrophobicContact CG2-CD1 4.27Å; T106-F108 HydrophobicContact CG2-CD2 4.36Å; T106-F108 HydrophobicContact CG2-CE1 3.57Å; T106-F108 HydrophobicContact CG2-CE2 3.68Å; T106-F108 HydrophobicContact CG2-CZ 3.25Å |
| 107 | Y | 97.5 | Very high | 93.6 | Very high | 20 Ų | 20 | 62.2 Ų | 62.2 | 8% | 0.078 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 131.5 | 176.5 | -69.9 | -98.5 | 0 | 0 | 0 | 109.6 | Q26 I41 Y55 R56 L66 L94 L96 Y103 | Q26-Y107 PolarHBondContact NE2-O 3.12Å; I41-Y107 VanDerWaalsContact CD1-CB 3.5Å; I41-Y107 HydrophobicContact CD1-CD1 4.47Å; I41-Y107 HydrophobicContact CD1-CD2 3.72Å; I41-Y107 HydrophobicContact CD1-CG 3.65Å; Y55-Y107 WeakPolarHBondContact O-CA 3.45Å; R56-Y107 HydrophobicContact CB-CD1 4.04Å; R56-Y107 HydrophobicContact CB-CE1 3.97Å; R56-Y107 HydrophobicContact CG-CD1 4.21Å; R56-Y107 HydrophobicContact CG-CE1 3.89Å; R56-Y107 HydrophobicContact CG-CE2 4.38Å; L66-Y107 HydrophobicContact CD1-CD1 4.01Å; L66-Y107 HydrophobicContact CD1-CE1 3.96Å; L94-Y107 HydrophobicContact CD2-CD1 3.29Å; L94-Y107 HydrophobicContact CD2-CE1 3.78Å; L94-Y107 HydrophobicContact CD2-CG 4.02Å; L96-Y107 HydrophobicContact CD1-CD2 4.47Å; L96-Y107 HydrophobicContact CD1-CE1 4.36Å; L96-Y107 HydrophobicContact CD1-CE2 3.77Å; L96-Y107 HydrophobicContact CD2-CE1 3.88Å; L96-Y107 WeakPolarHBondContact CD2-OH 3.35Å; Y103-Y107 WeakPolarHBondContact O-CE2 3.45Å; Y103-Y107 PolarHBondContact O-OH 3Å |
| 108 | F | 96.6 | Very high | 93.4 | Very high | 73 Ų | 73 | 62.6 Ų | 62.6 | 32% | 0.32 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 144.6 | -178 | -55.7 | -82.8 | 0 | 0 | 0 | 110.3 | W54 Y55 Q57 T106 | W54-F108 WeakPolarHBondContact CA-O 3.33Å; Y55-F108 PolarHBondContact N-O 2.84Å; Y55-F108 PolarHBondContact O-N 2.97Å; Q57-F108 HydrophobicContact CB-CD2 4.41Å; Q57-F108 HydrophobicContact CB-CE2 3.69Å; T106-F108 HydrophobicContact CG2-CD1 4.27Å; T106-F108 HydrophobicContact CG2-CD2 4.36Å; T106-F108 HydrophobicContact CG2-CE1 3.57Å; T106-F108 HydrophobicContact CG2-CE2 3.68Å; T106-F108 HydrophobicContact CG2-CZ 3.25Å |
| 109 | C | 96.4 | Very high | 93.1 | Very high | 11 Ų | 11 | 64.7 Ų | 64.7 | 7% | 0.074 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 149.8 | 164.2 | 72 | 0 | 0 | 0 | 0 | 111.6 | Q26 C43 V52 H53 W54 | Q26-C109 WeakPolarHBondContact CG-SG 3.48Å; C43-C109 HydrophobicContact CB-CB 3.46Å; C43-C109 VanDerWaalsContact CB-CB 3.46Å; C43-C109 WeakPolarHBondContact CB-SG 3.49Å; C43-C109 WeakPolarHBondContact SG-CB 3.27Å; C43-C109 CovalentContact SG-SG 2.02Å; C43-C109 PolarHBondContact SG-SG 3.48Å; V52-C109 HydrophobicContact CG1-CB 4.4Å; H53-C109 CarbonylContact O-C 3.51Å; H53-C109 VanDerWaalsContact O-CA 3.22Å; H53-C109 WeakPolarHBondContact O-CA 3.44Å; W54-C109 HydrophobicContact CD2-CB 4.27Å; W54-C109 HydrophobicContact CE3-CB 3.99Å; W54-C109 HydrophobicContact CH2-CB 4.01Å; W54-C109 HydrophobicContact CZ2-CB 4.26Å; W54-C109 HydrophobicContact CZ3-CB 3.86Å |
| 110 | G | 92.7 | Very high | 93 | Very high | 23 Ų | 23 | 69 Ų | 69 | 24% | 0.237 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 156.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | V52 H53 | V52-G110 WeakPolarHBondContact CA-O 3.43Å; H53-G110 PolarHBondContact N-O 2.76Å; H53-G110 PolarHBondContact O-N 3.24Å |
| 111 | T | 89.7 | Confident | 92.9 | Very high | 53 Ų | 53 | 68.2 Ų | 68.2 | 33% | 0.325 | 40% | 0.395 | S | S | . | . | trans | -123.3 | 148.4 | 170.3 | -178.1 | 0 | 0 | 0 | 0 | 107.8 | P24 L49 S51 | P24-T111 HydrophobicContact CG-CG2 4.11Å; L49-T111 HydrophobicContact CD2-CG2 4.1Å; S51-T111 WeakPolarHBondContact O-CA 3.49Å; S51-T111 WeakPolarHBondContact O-CB 3.22Å; S51-T111 PolarHBondContact O-OG1 3.38Å | ||
| 112 | E | 76 | Confident | 93 | Very high | 203 Ų | 203 | 61.8 Ų | 61.8 | 95% | 0.949 | 37% | 0.365 | S | S | * | . | trans | -78.9 | 0 | 159.3 | -74.3 | 178.7 | 159.5 | 0 | 0 | 110.7 | S51 | S51-E112 PolarHBondContact OG-N 2.8Š|
Retrieved 112 of 112 residues in 55.7 ms
(Link to these results)