| 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 | L | 42.3 | Very low | 41.2 | Very low | 169 Ų | 169 | 106.8 Ų | 106.8 | 89% | 0.885 | 55% | 0.551 | S | S | * | * | 0 | -49.4 | 0 | -91.2 | 93.2 | 0 | 0 | 0 | 113.3 | |||||
| 2 | Y | 33.6 | Very low | 41.3 | Very low | 153 Ų | 153 | 113.7 Ų | 113.7 | 60% | 0.6 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -79.1 | -14 | 174.8 | -75.4 | -75 | 0 | 0 | 0 | 115.3 | Y4 K8 I11 | Y2-Y4 VanDerWaalsContact C-N 3.34Å; Y2-K8 HydrophobicContact CE1-CD 4.28Å; Y2-K8 HydrophobicContact CE1-CG 3.61Å; Y2-I11 HydrophobicContact CE1-CD1 4.38Å |
| 3 | T | 32.6 | Very low | 41.8 | Very low | 133 Ų | 133 | 108.2 Ų | 108.2 | 82% | 0.816 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -78.7 | -13.8 | 179.6 | -47.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 4 | Y | 43.5 | Very low | 42.2 | Very low | 187 Ų | 187 | 107.9 Ų | 107.9 | 73% | 0.733 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -103.9 | 18.7 | -175.8 | -79.5 | -85.1 | 0 | 0 | 0 | 113.6 | Y2 V6 | Y2-Y4 VanDerWaalsContact C-N 3.34Å; Y4-V6 PolarHBondContact O-N 3.03Å |
| 5 | G | 40.6 | Very low | 42.3 | Very low | 61 Ų | 61 | 106.4 Ų | 106.4 | 63% | 0.629 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.5 | 24.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | S7 | G5-S7 PolarHBondContact O-N 3.02Å; G5-S7 VanDerWaalsContact O-N 3.07Å |
| 6 | V | 38.1 | Very low | 42.5 | Very low | 53 Ų | 53 | 111.6 Ų | 111.6 | 32% | 0.321 | 57% | 0.568 | S | S | . | * | trans | -75.2 | 101.9 | 173.2 | -174 | 0 | 0 | 0 | 0 | 108.6 | Y4 K8 I11 | Y4-V6 PolarHBondContact O-N 3.03Å; V6-K8 PolarHBondContact O-N 3.12Å; V6-I11 HydrophobicContact CG1-CD1 4.11Å; V6-I11 HydrophobicContact CG1-CG1 3.91Å | ||
| 7 | S | 42.5 | Very low | 42.5 | Very low | 25 Ų | 25 | 110.4 Ų | 110.4 | 18% | 0.175 | 56% | 0.563 | C | S | . | * | trans | -59.3 | 133.2 | 174.5 | -179.3 | 0 | 0 | 0 | 0 | 110.2 | G5 H9 C10 Y28 | G5-S7 PolarHBondContact O-N 3.02Å; G5-S7 VanDerWaalsContact O-N 3.07Å; S7-H9 PolarHBondContact O-N 3Å; S7-C10 PolarHBondContact O-N 3.38Å; S7-Y28 WeakPolarHBondContact CB-OH 3.19Å | ||
| 8 | K | 46.6 | Very low | 43 | Very low | 156 Ų | 156 | 105.9 Ų | 105.9 | 68% | 0.678 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -23.1 | -178.5 | -78.2 | 178.5 | -180 | 176.4 | 0 | 112.9 | Y2 V6 C10 | Y2-K8 HydrophobicContact CE1-CD 4.28Å; Y2-K8 HydrophobicContact CE1-CG 3.61Å; V6-K8 PolarHBondContact O-N 3.12Å; K8-C10 VanDerWaalsContact C-N 3.32Å |
| 9 | H | 45 | Very low | 42.9 | Very low | 105 Ų | 105 | 105.9 Ų | 105.9 | 49% | 0.486 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -28.7 | 179.2 | -148.3 | 63.1 | 0 | 0 | 0 | 112.5 | S7 F21 | S7-H9 PolarHBondContact O-N 3Å; H9-F21 AromaticContact CD2-CE2 3.29Å; H9-F21 WeakPolarHBondContact CD2-CE2 3.23Å; H9-F21 AromaticContact CD2-CZ 3.51Å; H9-F21 AromaticContact NE2-CE2 3.87Å |
| 10 | C | 43.1 | Very low | 43.2 | Very low | 37 Ų | 37 | 105.1 Ų | 105.1 | 25% | 0.25 | 55% | 0.547 | C | S | . | . | G | 310 helix | trans | -80.1 | -22.7 | -178 | -63.2 | 0 | 0 | 0 | 0 | 113.9 | S7 K8 K12 I13 | S7-C10 PolarHBondContact O-N 3.38Å; K8-C10 VanDerWaalsContact C-N 3.32Å; C10-K12 PolarHBondContact O-N 3.5Å; C10-I13 HydrophobicContact CB-CD1 4.39Å; C10-I13 PolarHBondContact O-N 3.3Å |
| 11 | I | 45.5 | Very low | 43.6 | Very low | 96 Ų | 96 | 101.5 Ų | 101.5 | 49% | 0.492 | 53% | 0.527 | S | S | . | . | G | 310 helix | trans | -69.2 | -18.7 | -177.5 | -66.8 | 174.4 | 0 | 0 | 0 | 112.3 | Y2 V6 | Y2-I11 HydrophobicContact CE1-CD1 4.38Å; V6-I11 HydrophobicContact CG1-CD1 4.11Å; V6-I11 HydrophobicContact CG1-CG1 3.91Å |
| 12 | K | 42.5 | Very low | 44 | Very low | 189 Ų | 189 | 97.9 Ų | 97.9 | 82% | 0.822 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -98.7 | 4.9 | -179 | -98 | -178.9 | 176.5 | -179.8 | 0 | 114.7 | C10 N14 | C10-K12 PolarHBondContact O-N 3.5Å; K12-N14 PolarHBondContact O-N 3.17Å |
| 13 | I | 47.6 | Very low | 45.2 | Very low | 42 Ų | 42 | 94.2 Ų | 94.2 | 22% | 0.215 | 49% | 0.493 | C | S | . | . | trans | -81.4 | 119 | -179 | -49.2 | 178 | 0 | 0 | 0 | 109.3 | C10 A18 F21 | C10-I13 HydrophobicContact CB-CD1 4.39Å; C10-I13 PolarHBondContact O-N 3.3Å; I13-A18 HydrophobicContact CG2-CB 3.92Å; I13-F21 HydrophobicContact CD1-CB 4.47Å; I13-F21 HydrophobicContact CD1-CD1 3.7Å; I13-F21 HydrophobicContact CD1-CD2 3.34Å; I13-F21 HydrophobicContact CD1-CE1 3.59Å; I13-F21 HydrophobicContact CD1-CE2 3.24Å; I13-F21 HydrophobicContact CD1-CG 3.56Å; I13-F21 HydrophobicContact CD1-CZ 3.38Å; I13-F21 HydrophobicContact CG1-CD2 3.53Å; I13-F21 HydrophobicContact CG1-CE2 3.51Å; I13-F21 HydrophobicContact CG1-CG 4.17Å; I13-F21 HydrophobicContact CG1-CZ 4.14Å | ||
| 14 | N | 47.4 | Very low | 46.1 | Very low | 104 Ų | 104 | 91.5 Ų | 91.5 | 56% | 0.556 | 47% | 0.471 | S | S | * | . | trans | -108.7 | 160.5 | 171.5 | -170 | -63.9 | 0 | 0 | 0 | 108.5 | K12 K16 N17 A18 | K12-N14 PolarHBondContact O-N 3.17Å; N14-K16 PolarHBondContact O-N 3.47Å; N14-N17 CarbonylContact O-C 3.55Å; N14-N17 PolarHBondContact O-N 3.07Å; N14-A18 PolarHBondContact O-N 3.45Å | ||
| 15 | S | 44.1 | Very low | 46.4 | Very low | 86 Ų | 86 | 82.9 Ų | 82.9 | 60% | 0.601 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -30.4 | 179.9 | 63.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 16 | K | 45.5 | Very low | 46.7 | Very low | 189 Ų | 189 | 84.7 Ų | 84.7 | 82% | 0.822 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -25.8 | 175 | -69.2 | -174.2 | 178.1 | -175.7 | 0 | 114.7 | N14 | N14-K16 PolarHBondContact O-N 3.47Š|
| 17 | N | 42.5 | Very low | 47.3 | Very low | 91 Ų | 91 | 87.9 Ų | 87.9 | 49% | 0.487 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | 0.1 | -176.2 | -152.6 | 85.8 | 0 | 0 | 0 | 112.5 | N14 E19 F21 | N14-N17 CarbonylContact O-C 3.55Å; N14-N17 PolarHBondContact O-N 3.07Å; N17-E19 VanDerWaalsContact C-N 3.29Å; N17-F21 PolarHBondContact O-N 3.32Å |
| 18 | A | 50.3 | Low | 47.6 | Very low | 30 Ų | 30 | 91.2 Ų | 91.2 | 25% | 0.248 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -66.5 | -32.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I13 N14 F21 | I13-A18 HydrophobicContact CG2-CB 3.92Å; N14-A18 PolarHBondContact O-N 3.45Å; A18-F21 WeakPolarHBondContact O-CB 3.03Å; A18-F21 PolarHBondContact O-N 2.94Å |
| 19 | E | 42.1 | Very low | 47.7 | Very low | 106 Ų | 106 | 87.5 Ų | 87.5 | 50% | 0.495 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -32.8 | -178.6 | -175.1 | 165.2 | 103 | 0 | 0 | 113.6 | N17 K58 | N17-E19 VanDerWaalsContact C-N 3.29Å; E19-K58 HydrophobicContact CG-CD 3.92Å; E19-K58 IonicContact OE2-NZ 2.71Å; E19-K58 PolarHBondContact OE2-NZ 2.7Å |
| 20 | S | 47.5 | Very low | 47.7 | Very low | 90 Ų | 90 | 84.8 Ų | 84.8 | 63% | 0.629 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 12 | 175.7 | -59.3 | 0 | 0 | 0 | 0 | 113 | Q22 | S20-Q22 PolarHBondContact O-N 2.96Š|
| 21 | F | 52.5 | Low | 47.9 | Very low | 30 Ų | 30 | 90.2 Ų | 90.2 | 13% | 0.132 | 46% | 0.458 | C | S | . | . | trans | -71 | 122 | 178.4 | -168.2 | -106.6 | 0 | 0 | 0 | 109.7 | H9 I13 N17 A18 F23 | H9-F21 AromaticContact CD2-CE2 3.29Å; H9-F21 WeakPolarHBondContact CD2-CE2 3.23Å; H9-F21 AromaticContact CD2-CZ 3.51Å; H9-F21 AromaticContact NE2-CE2 3.87Å; I13-F21 HydrophobicContact CD1-CB 4.47Å; I13-F21 HydrophobicContact CD1-CD1 3.7Å; I13-F21 HydrophobicContact CD1-CD2 3.34Å; I13-F21 HydrophobicContact CD1-CE1 3.59Å; I13-F21 HydrophobicContact CD1-CE2 3.24Å; I13-F21 HydrophobicContact CD1-CG 3.56Å; I13-F21 HydrophobicContact CD1-CZ 3.38Å; I13-F21 HydrophobicContact CG1-CD2 3.53Å; I13-F21 HydrophobicContact CG1-CE2 3.51Å; I13-F21 HydrophobicContact CG1-CG 4.17Å; I13-F21 HydrophobicContact CG1-CZ 4.14Å; N17-F21 PolarHBondContact O-N 3.32Å; A18-F21 WeakPolarHBondContact O-CB 3.03Å; A18-F21 PolarHBondContact O-N 2.94Å; F21-F23 AromaticContact CD1-CD1 3.82Å; F21-F23 HydrophobicContact CD1-CD1 3.82Å; F21-F23 AromaticContact CD1-CE1 3.75Å; F21-F23 HydrophobicContact CD1-CE1 3.75Å; F21-F23 AromaticContact CE1-CD1 3.61Å; F21-F23 HydrophobicContact CE1-CD1 3.61Å; F21-F23 AromaticContact CE1-CE1 3.95Å; F21-F23 HydrophobicContact CE1-CE1 3.95Å | ||
| 22 | Q | 51.1 | Low | 47.8 | Very low | 92 Ų | 92 | 94 Ų | 94 | 43% | 0.43 | 47% | 0.473 | S | S | . | . | trans | -118.1 | 120 | 177.8 | -67.9 | -179.5 | -25.8 | 0 | 0 | 108 | S20 K55 A56 | S20-Q22 PolarHBondContact O-N 2.96Å; Q22-K55 HydrophobicContact CB-CB 4.4Å; Q22-A56 WeakPolarHBondContact CA-O 3.36Å | ||
| 23 | F | 57.9 | Low | 47.9 | Very low | 76 Ų | 76 | 87.4 Ų | 87.4 | 33% | 0.333 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 132 | 175.3 | -21.2 | -87 | 0 | 0 | 0 | 107.6 | F21 T25 K55 A56 F61 | F21-F23 AromaticContact CD1-CD1 3.82Å; F21-F23 HydrophobicContact CD1-CD1 3.82Å; F21-F23 AromaticContact CD1-CE1 3.75Å; F21-F23 HydrophobicContact CD1-CE1 3.75Å; F21-F23 AromaticContact CE1-CD1 3.61Å; F21-F23 HydrophobicContact CE1-CD1 3.61Å; F21-F23 AromaticContact CE1-CE1 3.95Å; F21-F23 HydrophobicContact CE1-CE1 3.95Å; F23-T25 PolarHBondContact O-N 3.45Å; F23-K55 WeakPolarHBondContact O-CA 3.49Å; F23-A56 HydrophobicContact CD2-CB 4.19Å; F23-A56 WeakPolarHBondContact CD2-O 3.39Å; F23-A56 WeakPolarHBondContact CE2-O 3.07Å; F23-A56 PolarHBondContact N-O 3.3Å; F23-A56 PolarHBondContact O-N 2.89Å; F23-F61 AromaticContact CD2-CE2 3.63Å; F23-F61 HydrophobicContact CD2-CE2 3.63Å; F23-F61 AromaticContact CD2-CZ 3.89Å; F23-F61 HydrophobicContact CD2-CZ 3.89Å; F23-F61 AromaticContact CE2-CD2 3.88Å; F23-F61 HydrophobicContact CE2-CD2 3.88Å; F23-F61 HydrophobicContact CE2-CE1 4.41Å; F23-F61 AromaticContact CE2-CE2 3.13Å; F23-F61 HydrophobicContact CE2-CE2 3.13Å; F23-F61 AromaticContact CE2-CZ 3.43Å; F23-F61 HydrophobicContact CE2-CZ 3.43Å; F23-F61 VanDerWaalsContact CE2-CZ 3.43Å; F23-F61 HydrophobicContact CZ-CE2 4.14Å; F23-F61 HydrophobicContact CZ-CZ 4.16Å |
| 24 | H | 52.1 | Low | 47.8 | Very low | 77 Ų | 77 | 87.5 Ų | 87.5 | 36% | 0.356 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 106.9 | 167.7 | -74.6 | 33.3 | 0 | 0 | 0 | 107.1 | E26 D27 K55 | H24-E26 PolarHBondContact O-N 2.96Å; H24-D27 HydrophobicContact CB-CB 4.49Å; H24-D27 PolarHBondContact O-N 3.32Å; H24-D27 VanDerWaalsContact O-N 3.09Å; H24-K55 WeakPolarHBondContact CE1-CE 2.99Å |
| 25 | T | 48.9 | Very low | 47.6 | Very low | 6 Ų | 6 | 93.8 Ų | 93.8 | 4% | 0.037 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -63 | -24.5 | -176 | -6.7 | 0 | 0 | 0 | 0 | 111.7 | F23 D27 Y28 F29 I40 G54 | F23-T25 PolarHBondContact O-N 3.45Å; T25-D27 VanDerWaalsContact C-N 3.31Å; T25-D27 PolarHBondContact O-N 3.33Å; T25-Y28 PolarHBondContact O-N 3.4Å; T25-F29 HydrophobicContact CG2-CD2 3.86Å; T25-F29 HydrophobicContact CG2-CE2 4.39Å; T25-F29 WeakPolarHBondContact O-CA 3.37Å; T25-F29 WeakPolarHBondContact O-CB 3.41Å; T25-F29 PolarHBondContact O-N 3.3Å; T25-I40 HydrophobicContact CG2-CD1 3.16Å; T25-G54 WeakPolarHBondContact CB-O 3.29Å; T25-G54 PolarHBondContact N-O 3.43Å; T25-G54 VanDerWaalsContact OG1-C 3.31Å; T25-G54 PolarHBondContact OG1-O 3.19Å |
| 26 | E | 48.6 | Very low | 47.7 | Very low | 99 Ų | 99 | 94 Ų | 94 | 46% | 0.463 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67 | -25 | 174.9 | -42.9 | -167.3 | 61.8 | 0 | 0 | 114.8 | H24 L34 | H24-E26 PolarHBondContact O-N 2.96Å; E26-L34 HydrophobicContact CB-CD1 3.89Å; E26-L34 HydrophobicContact CG-CD1 3.57Å; E26-L34 HydrophobicContact CG-CD2 4.23Å |
| 27 | D | 50.4 | Low | 47.8 | Very low | 119 Ų | 119 | 88.6 Ų | 88.6 | 64% | 0.636 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -81 | -23.1 | -177.6 | -146.3 | -114.2 | 0 | 0 | 0 | 111.3 | H24 T25 | H24-D27 HydrophobicContact CB-CB 4.49Å; H24-D27 PolarHBondContact O-N 3.32Å; H24-D27 VanDerWaalsContact O-N 3.09Å; T25-D27 VanDerWaalsContact C-N 3.31Å; T25-D27 PolarHBondContact O-N 3.33Å |
| 28 | Y | 49.1 | Very low | 48.1 | Very low | 95 Ų | 95 | 91.1 Ų | 91.1 | 37% | 0.373 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -109.5 | -40.9 | -176.6 | -69.9 | -82.4 | 0 | 0 | 0 | 112.8 | S7 T25 F82 | S7-Y28 WeakPolarHBondContact CB-OH 3.19Å; T25-Y28 PolarHBondContact O-N 3.4Å; Y28-F82 HydrophobicContact CD1-CZ 4.32Å; Y28-F82 AromaticContact CE1-CE1 3.74Å; Y28-F82 HydrophobicContact CE1-CE1 3.74Å; Y28-F82 AromaticContact CE1-CZ 3.87Å; Y28-F82 HydrophobicContact CE1-CZ 3.87Å |
| 29 | F | 48.9 | Very low | 48.2 | Very low | 79 Ų | 79 | 90.3 Ų | 90.3 | 35% | 0.346 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -103.3 | 105.7 | 174.4 | -65.2 | -91.2 | 0 | 0 | 0 | 106.8 | T25 I40 | T25-F29 HydrophobicContact CG2-CD2 3.86Å; T25-F29 HydrophobicContact CG2-CE2 4.39Å; T25-F29 WeakPolarHBondContact O-CA 3.37Å; T25-F29 WeakPolarHBondContact O-CB 3.41Å; T25-F29 PolarHBondContact O-N 3.3Å; F29-I40 HydrophobicContact CB-CD1 4.12Å; F29-I40 HydrophobicContact CD1-CD1 4.16Å; F29-I40 HydrophobicContact CD1-CG1 4.1Å; F29-I40 HydrophobicContact CD1-CG2 3.76Å; F29-I40 HydrophobicContact CD2-CD1 3.61Å; F29-I40 HydrophobicContact CD2-CG1 4.42Å; F29-I40 HydrophobicContact CD2-CG2 4.46Å; F29-I40 HydrophobicContact CE1-CB 4.49Å; F29-I40 HydrophobicContact CE1-CG1 4.46Å; F29-I40 HydrophobicContact CE1-CG2 3.28Å; F29-I40 HydrophobicContact CE2-CD1 4.05Å; F29-I40 HydrophobicContact CE2-CG2 4.04Å; F29-I40 HydrophobicContact CG-CD1 3.67Å; F29-I40 HydrophobicContact CG-CG1 4.09Å; F29-I40 HydrophobicContact CG-CG2 4.34Å; F29-I40 HydrophobicContact CZ-CG2 3.44Å; F29-I40 VanDerWaalsContact CZ-CG2 3.44Å |
| 30 | G | 43.8 | Very low | 48.9 | Very low | 47 Ų | 47 | 85.7 Ų | 85.7 | 49% | 0.485 | 44% | 0.444 | S | S | . | . | trans | -46.8 | 145.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | E32 S33 | G30-E32 PolarHBondContact O-N 3.36Å; G30-S33 PolarHBondContact O-N 3.44Å | ||
| 31 | K | 47.6 | Very low | 48.9 | Very low | 152 Ų | 152 | 87.3 Ų | 87.3 | 66% | 0.661 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.6 | -23.7 | -170.7 | -66.6 | -179.6 | 176 | -179.3 | 0 | 115.6 | S33 L34 | K31-S33 VanDerWaalsContact C-N 3.31Å; K31-S33 PolarHBondContact O-N 2.95Å; K31-L34 PolarHBondContact O-N 2.81Å |
| 32 | E | 43.3 | Very low | 49 | Very low | 174 Ų | 174 | 86.8 Ų | 86.8 | 81% | 0.813 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -32.4 | 173 | -72.5 | 175.5 | 80.2 | 0 | 0 | 114.2 | G30 | G30-E32 PolarHBondContact O-N 3.36Š|
| 33 | S | 44.1 | Very low | 48.6 | Very low | 52 Ų | 52 | 87.7 Ų | 87.7 | 36% | 0.364 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -27.1 | -178.8 | -59.9 | 0 | 0 | 0 | 0 | 113.2 | G30 K31 | G30-S33 PolarHBondContact O-N 3.44Å; K31-S33 VanDerWaalsContact C-N 3.31Å; K31-S33 PolarHBondContact O-N 2.95Å |
| 34 | L | 45.5 | Very low | 47.9 | Very low | 43 Ų | 43 | 88.6 Ų | 88.6 | 23% | 0.225 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -31.5 | 179 | -78.6 | 126.4 | 0 | 0 | 0 | 112.8 | E26 K31 T36 G37 | E26-L34 HydrophobicContact CB-CD1 3.89Å; E26-L34 HydrophobicContact CG-CD1 3.57Å; E26-L34 HydrophobicContact CG-CD2 4.23Å; K31-L34 PolarHBondContact O-N 2.81Å; L34-T36 PolarHBondContact O-N 3.42Å; L34-G37 PolarHBondContact O-N 3.5Å |
| 35 | W | 44.4 | Very low | 47.6 | Very low | 236 Ų | 236 | 86.6 Ų | 86.6 | 89% | 0.894 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -18.9 | -179.8 | -79.8 | 15.6 | 0 | 0 | 0 | 113.7 | G37 | W35-G37 PolarHBondContact O-N 3.07Š|
| 36 | T | 46 | Very low | 47.6 | Very low | 92 Ų | 92 | 87.6 Ų | 87.6 | 56% | 0.564 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -10.9 | -177.7 | -110 | 0 | 0 | 0 | 0 | 113.1 | L34 K38 | L34-T36 PolarHBondContact O-N 3.42Å; T36-K38 HydrophobicContact CG2-CB 3.33Å; T36-K38 HydrophobicContact CG2-CD 4.42Å; T36-K38 WeakPolarHBondContact O-CB 3.29Å; T36-K38 PolarHBondContact O-N 2.77Å |
| 37 | G | 47.8 | Very low | 47.7 | Very low | 75 Ų | 75 | 88.6 Ų | 88.6 | 77% | 0.773 | 48% | 0.482 | S | S | * | . | S | Bend | trans | 58.5 | 8.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L34 W35 | L34-G37 PolarHBondContact O-N 3.5Å; W35-G37 PolarHBondContact O-N 3.07Å |
| 38 | K | 48.8 | Very low | 47.9 | Very low | 144 Ų | 144 | 83.2 Ų | 83.2 | 63% | 0.626 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -108 | 0.2 | -165.5 | -137.6 | 172.4 | -171.6 | -176.4 | 0 | 112.8 | T36 W47 | T36-K38 HydrophobicContact CG2-CB 3.33Å; T36-K38 HydrophobicContact CG2-CD 4.42Å; T36-K38 WeakPolarHBondContact O-CB 3.29Å; T36-K38 PolarHBondContact O-N 2.77Å; K38-W47 HydrophobicContact CB-CZ3 4.12Å; K38-W47 HydrophobicContact CD-CH2 4.41Å; K38-W47 HydrophobicContact CG-CH2 4.46Å; K38-W47 HydrophobicContact CG-CZ3 4.14Å; K38-W47 VanDerWaalsContact O-CZ3 3.23Å; K38-W47 WeakPolarHBondContact O-CZ3 3.2Å |
| 39 | G | 52.5 | Low | 48.2 | Very low | 12 Ų | 12 | 84.3 Ų | 84.3 | 12% | 0.124 | 47% | 0.465 | C | S | . | . | trans | 78.6 | 162.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L48 | G39-L48 CarbonylContact C-O 3.39Å; G39-L48 WeakPolarHBondContact CA-O 3.46Å | ||
| 40 | I | 55.3 | Low | 48.2 | Very low | 10 Ų | 10 | 81.8 Ų | 81.8 | 5% | 0.051 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 124.2 | 177.7 | -70.3 | 154.3 | 0 | 0 | 0 | 108 | T25 F29 L42 L48 | T25-I40 HydrophobicContact CG2-CD1 3.16Å; F29-I40 HydrophobicContact CB-CD1 4.12Å; F29-I40 HydrophobicContact CD1-CD1 4.16Å; F29-I40 HydrophobicContact CD1-CG1 4.1Å; F29-I40 HydrophobicContact CD1-CG2 3.76Å; F29-I40 HydrophobicContact CD2-CD1 3.61Å; F29-I40 HydrophobicContact CD2-CG1 4.42Å; F29-I40 HydrophobicContact CD2-CG2 4.46Å; F29-I40 HydrophobicContact CE1-CB 4.49Å; F29-I40 HydrophobicContact CE1-CG1 4.46Å; F29-I40 HydrophobicContact CE1-CG2 3.28Å; F29-I40 HydrophobicContact CE2-CD1 4.05Å; F29-I40 HydrophobicContact CE2-CG2 4.04Å; F29-I40 HydrophobicContact CG-CD1 3.67Å; F29-I40 HydrophobicContact CG-CG1 4.09Å; F29-I40 HydrophobicContact CG-CG2 4.34Å; F29-I40 HydrophobicContact CZ-CG2 3.44Å; F29-I40 VanDerWaalsContact CZ-CG2 3.44Å; I40-L42 PolarHBondContact O-N 3.24Å; I40-L48 HydrophobicContact CB-CB 4.43Å; I40-L48 PolarHBondContact N-O 3Å; I40-L48 PolarHBondContact O-N 3.03Å |
| 41 | Q | 48.8 | Very low | 48.6 | Very low | 124 Ų | 124 | 82.3 Ų | 82.3 | 58% | 0.579 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 122.6 | 176 | -168.5 | 174.8 | 0.3 | 0 | 0 | 109.5 | W47 | Q41-W47 HydrophobicContact CB-CE3 4.47Å; Q41-W47 HydrophobicContact CB-CZ3 4.42Å |
| 42 | L | 53.9 | Low | 48.7 | Very low | 19 Ų | 19 | 83.6 Ų | 83.6 | 10% | 0.099 | 47% | 0.466 | C | S | . | . | P | Polyproline II helix | trans | -79.7 | 158.1 | 175.9 | -56.5 | 173.9 | 0 | 0 | 0 | 109.9 | I40 D44 G45 G46 L48 W74 | I40-L42 PolarHBondContact O-N 3.24Å; L42-D44 PolarHBondContact O-N 3.43Å; L42-G45 PolarHBondContact O-N 2.99Å; L42-G46 WeakPolarHBondContact CB-O 3.25Å; L42-G46 PolarHBondContact N-O 3.07Å; L42-L48 HydrophobicContact CD1-CB 4.36Å; L42-L48 HydrophobicContact CD2-CB 4.19Å; L42-L48 HydrophobicContact CG-CB 4.29Å; L42-W74 HydrophobicContact CD1-CZ2 3.5Å; L42-W74 HydrophobicContact CD2-CH2 3.86Å; L42-W74 HydrophobicContact CD2-CZ2 3.27Å; L42-W74 HydrophobicContact CG-CZ2 3.93Å |
| 43 | A | 44.1 | Very low | 49.1 | Very low | 110 Ų | 110 | 80.4 Ų | 80.4 | 91% | 0.909 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -23.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G45 | A43-G45 VanDerWaalsContact C-N 3.34Š|
| 44 | D | 42.4 | Very low | 49.4 | Very low | 95 Ų | 95 | 78.2 Ų | 78.2 | 51% | 0.508 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 0 | 177.5 | -147.9 | -113.5 | 0 | 0 | 0 | 113.3 | L42 | L42-D44 PolarHBondContact O-N 3.43Š|
| 45 | G | 46.5 | Very low | 49.7 | Very low | 35 Ų | 35 | 78.8 Ų | 78.8 | 36% | 0.361 | 44% | 0.442 | S | S | . | . | S | Bend | trans | 86 | 0.5 | -177 | 0 | 0 | 0 | 0 | 0 | 115.2 | L42 A43 | L42-G45 PolarHBondContact O-N 2.99Å; A43-G45 VanDerWaalsContact C-N 3.34Å |
| 46 | G | 48.8 | Very low | 50 | Low | 27 Ų | 27 | 67.6 Ų | 67.6 | 28% | 0.278 | 40% | 0.399 | S | S | . | . | trans | -69.8 | 150.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L42 | L42-G46 WeakPolarHBondContact CB-O 3.25Å; L42-G46 PolarHBondContact N-O 3.07Å | ||
| 47 | W | 50.8 | Low | 50.1 | Low | 120 Ų | 120 | 63.4 Ų | 63.4 | 46% | 0.455 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 112.6 | 179.8 | -68.5 | 83 | 0 | 0 | 0 | 110.2 | K38 Q41 I49 C64 | K38-W47 HydrophobicContact CB-CZ3 4.12Å; K38-W47 HydrophobicContact CD-CH2 4.41Å; K38-W47 HydrophobicContact CG-CH2 4.46Å; K38-W47 HydrophobicContact CG-CZ3 4.14Å; K38-W47 VanDerWaalsContact O-CZ3 3.23Å; K38-W47 WeakPolarHBondContact O-CZ3 3.2Å; Q41-W47 HydrophobicContact CB-CE3 4.47Å; Q41-W47 HydrophobicContact CB-CZ3 4.42Å; W47-I49 PolarHBondContact O-N 3.34Å; W47-C64 PolarHBondContact O-SG 3.32Å; W47-C64 VanDerWaalsContact O-SG 3.4Å |
| 48 | L | 53.8 | Low | 50.2 | Low | 7 Ų | 7 | 62.4 Ų | 62.4 | 4% | 0.037 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 106.5 | 168.3 | -173.2 | 78.3 | 0 | 0 | 0 | 107.8 | G39 I40 L42 P50 A56 F61 | G39-L48 CarbonylContact C-O 3.39Å; G39-L48 WeakPolarHBondContact CA-O 3.46Å; I40-L48 HydrophobicContact CB-CB 4.43Å; I40-L48 PolarHBondContact N-O 3Å; I40-L48 PolarHBondContact O-N 3.03Å; L42-L48 HydrophobicContact CD1-CB 4.36Å; L42-L48 HydrophobicContact CD2-CB 4.19Å; L42-L48 HydrophobicContact CG-CB 4.29Å; L48-P50 WeakPolarHBondContact O-CD 3.45Å; L48-A56 HydrophobicContact CD2-CB 4.11Å; L48-F61 HydrophobicContact CD1-CD1 4.49Å; L48-F61 HydrophobicContact CD1-CD2 4.19Å; L48-F61 HydrophobicContact CD1-CE1 4.3Å; L48-F61 HydrophobicContact CD1-CE2 3.95Å; L48-F61 HydrophobicContact CD1-CG 4.47Å; L48-F61 HydrophobicContact CD1-CZ 4.04Å; L48-F61 HydrophobicContact CD2-CE2 4.4Å; L48-F61 HydrophobicContact CD2-CZ 4.18Å |
| 49 | I | 54.3 | Low | 50.1 | Low | 118 Ų | 118 | 63.7 Ų | 63.7 | 61% | 0.605 | 36% | 0.357 | S | S | * | . | trans | -88.2 | 105.6 | 175.5 | -58.2 | 169.7 | 0 | 0 | 0 | 106.8 | W47 | W47-I49 PolarHBondContact O-N 3.34Š| ||
| 50 | P | 50 | Low | 49.9 | Very low | 26 Ų | 26 | 64.8 Ų | 64.8 | 17% | 0.169 | 36% | 0.359 | C | S | . | . | trans | -68.8 | 147.3 | 174.4 | 31.2 | -32.8 | 0 | 0 | 0 | 109.1 | L48 | L48-P50 WeakPolarHBondContact O-CD 3.45Š| ||
| 51 | S | 51.8 | Low | 49.6 | Very low | 58 Ų | 58 | 66.6 Ų | 66.6 | 41% | 0.406 | 37% | 0.366 | S | S | . | . | trans | -62 | 158 | 176.4 | -79.7 | 0 | 0 | 0 | 0 | 109.5 | D53 G54 K55 E60 | S51-D53 PolarHBondContact O-N 3.43Å; S51-G54 PolarHBondContact O-N 3.36Å; S51-K55 PolarHBondContact N-O 2.83Å; S51-E60 VanDerWaalsContact CA-OE1 3.29Å; S51-E60 WeakPolarHBondContact CA-OE1 3.45Å; S51-E60 WeakPolarHBondContact CB-OE1 3.4Å; S51-E60 PolarHBondContact N-OE1 3.02Å; S51-E60 PolarHBondContact OG-OE1 3.02Å | ||
| 52 | N | 48.9 | Very low | 49.5 | Very low | 178 Ų | 178 | 65.8 Ų | 65.8 | 95% | 0.952 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -13.4 | 179.1 | -164.2 | 79 | 0 | 0 | 0 | 113.8 | ||
| 53 | D | 53.1 | Low | 49 | Very low | 107 Ų | 107 | 70.1 Ų | 70.1 | 57% | 0.572 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 4 | 174.3 | -131.2 | -113.2 | 0 | 0 | 0 | 113.9 | S51 K55 | S51-D53 PolarHBondContact O-N 3.43Å; D53-K55 HydrophobicContact CB-CD 4.4Å; D53-K55 PolarHBondContact O-N 2.92Å; D53-K55 WeakPolarHBondContact OD1-CE 3.29Å; D53-K55 IonicContact OD1-NZ 2.72Å; D53-K55 PolarHBondContact OD1-NZ 3.03Å |
| 54 | G | 50.5 | Low | 48.9 | Very low | 7 Ų | 7 | 66.3 Ų | 66.3 | 7% | 0.072 | 36% | 0.357 | C | S | . | . | S | Bend | trans | 68.6 | 14.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | T25 S51 | T25-G54 WeakPolarHBondContact CB-O 3.29Å; T25-G54 PolarHBondContact N-O 3.43Å; T25-G54 VanDerWaalsContact OG1-C 3.31Å; T25-G54 PolarHBondContact OG1-O 3.19Å; S51-G54 PolarHBondContact O-N 3.36Å |
| 55 | K | 50.7 | Low | 48.8 | Very low | 55 Ų | 55 | 64 Ų | 64 | 24% | 0.239 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 138.1 | 179.4 | -67.1 | 168.6 | -170.9 | 152.7 | 0 | 108.9 | Q22 F23 H24 S51 D53 | Q22-K55 HydrophobicContact CB-CB 4.4Å; F23-K55 WeakPolarHBondContact O-CA 3.49Å; H24-K55 WeakPolarHBondContact CE1-CE 2.99Å; S51-K55 PolarHBondContact N-O 2.83Å; D53-K55 HydrophobicContact CB-CD 4.4Å; D53-K55 PolarHBondContact O-N 2.92Å; D53-K55 WeakPolarHBondContact OD1-CE 3.29Å; D53-K55 IonicContact OD1-NZ 2.72Å; D53-K55 PolarHBondContact OD1-NZ 3.03Å |
| 56 | A | 51.1 | Low | 48.4 | Very low | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.008 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 128.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108 | Q22 F23 L48 E60 F61 | Q22-A56 WeakPolarHBondContact CA-O 3.36Å; F23-A56 HydrophobicContact CD2-CB 4.19Å; F23-A56 WeakPolarHBondContact CD2-O 3.39Å; F23-A56 WeakPolarHBondContact CE2-O 3.07Å; F23-A56 PolarHBondContact N-O 3.3Å; F23-A56 PolarHBondContact O-N 2.89Å; L48-A56 HydrophobicContact CD2-CB 4.11Å; A56-E60 WeakPolarHBondContact CA-OE2 3.47Å; A56-F61 HydrophobicContact CB-CE2 3.81Å |
| 57 | G | 48.3 | Very low | 47.8 | Very low | 3 Ų | 3 | 69.5 Ų | 69.5 | 3% | 0.031 | 38% | 0.379 | C | S | . | . | trans | -135.3 | 176.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | E59 E60 F61 | G57-E59 PolarHBondContact O-N 3.33Å; G57-E60 PolarHBondContact N-OE2 3.07Å; G57-E60 PolarHBondContact O-N 3.43Å; G57-F61 VanDerWaalsContact O-CD2 3.29Å; G57-F61 WeakPolarHBondContact O-CD2 3.34Å; G57-F61 PolarHBondContact O-N 3.27Å | ||
| 58 | K | 50.1 | Low | 47.2 | Very low | 55 Ų | 55 | 69.4 Ų | 69.4 | 24% | 0.239 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -40.5 | -42.2 | -176.2 | 178.3 | 172.7 | 177.5 | -177 | 0 | 114.4 | E19 F61 Y62 | E19-K58 HydrophobicContact CG-CD 3.92Å; E19-K58 IonicContact OE2-NZ 2.71Å; E19-K58 PolarHBondContact OE2-NZ 2.7Å; K58-F61 PolarHBondContact O-N 3.28Å; K58-Y62 HydrophobicContact CD-CE2 3.9Å; K58-Y62 WeakPolarHBondContact CE-OH 3.42Å; K58-Y62 HydrophobicContact CG-CD2 3.78Å; K58-Y62 HydrophobicContact CG-CE2 3.25Å; K58-Y62 WeakPolarHBondContact O-CD2 2.93Å; K58-Y62 PolarHBondContact O-N 3.37Å |
| 59 | E | 46.3 | Very low | 46.3 | Very low | 170 Ų | 170 | 73 Ų | 73 | 79% | 0.794 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -70.1 | -36.7 | -179.5 | -73.1 | 176.7 | 80.2 | 0 | 0 | 114.7 | G57 F61 Y62 S63 | G57-E59 PolarHBondContact O-N 3.33Å; E59-F61 VanDerWaalsContact C-N 3.32Å; E59-Y62 PolarHBondContact O-N 3.26Å; E59-S63 PolarHBondContact O-N 2.68Å; E59-S63 VanDerWaalsContact O-N 3.17Å |
| 60 | E | 48.7 | Very low | 46 | Very low | 36 Ų | 36 | 68.5 Ų | 68.5 | 17% | 0.168 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -74.7 | -30.5 | 177.5 | -65.9 | 153.1 | 108.2 | 0 | 0 | 111 | S51 A56 G57 S63 C64 | S51-E60 VanDerWaalsContact CA-OE1 3.29Å; S51-E60 WeakPolarHBondContact CA-OE1 3.45Å; S51-E60 WeakPolarHBondContact CB-OE1 3.4Å; S51-E60 PolarHBondContact N-OE1 3.02Å; S51-E60 PolarHBondContact OG-OE1 3.02Å; A56-E60 WeakPolarHBondContact CA-OE2 3.47Å; G57-E60 PolarHBondContact N-OE2 3.07Å; G57-E60 PolarHBondContact O-N 3.43Å; E60-S63 PolarHBondContact O-N 2.85Å; E60-C64 PolarHBondContact O-N 2.71Å; E60-C64 VanDerWaalsContact O-N 3.13Å |
| 61 | F | 49.8 | Very low | 45.6 | Very low | 47 Ų | 47 | 70 Ų | 70 | 21% | 0.206 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -69.5 | -40 | 171.1 | -81.2 | -99.1 | 0 | 0 | 0 | 111.9 | F23 L48 A56 G57 K58 E59 S63 C64 S65 W74 | F23-F61 AromaticContact CD2-CE2 3.63Å; F23-F61 HydrophobicContact CD2-CE2 3.63Å; F23-F61 AromaticContact CD2-CZ 3.89Å; F23-F61 HydrophobicContact CD2-CZ 3.89Å; F23-F61 AromaticContact CE2-CD2 3.88Å; F23-F61 HydrophobicContact CE2-CD2 3.88Å; F23-F61 HydrophobicContact CE2-CE1 4.41Å; F23-F61 AromaticContact CE2-CE2 3.13Å; F23-F61 HydrophobicContact CE2-CE2 3.13Å; F23-F61 AromaticContact CE2-CZ 3.43Å; F23-F61 HydrophobicContact CE2-CZ 3.43Å; F23-F61 VanDerWaalsContact CE2-CZ 3.43Å; F23-F61 HydrophobicContact CZ-CE2 4.14Å; F23-F61 HydrophobicContact CZ-CZ 4.16Å; L48-F61 HydrophobicContact CD1-CD1 4.49Å; L48-F61 HydrophobicContact CD1-CD2 4.19Å; L48-F61 HydrophobicContact CD1-CE1 4.3Å; L48-F61 HydrophobicContact CD1-CE2 3.95Å; L48-F61 HydrophobicContact CD1-CG 4.47Å; L48-F61 HydrophobicContact CD1-CZ 4.04Å; L48-F61 HydrophobicContact CD2-CE2 4.4Å; L48-F61 HydrophobicContact CD2-CZ 4.18Å; A56-F61 HydrophobicContact CB-CE2 3.81Å; G57-F61 VanDerWaalsContact O-CD2 3.29Å; G57-F61 WeakPolarHBondContact O-CD2 3.34Å; G57-F61 PolarHBondContact O-N 3.27Å; K58-F61 PolarHBondContact O-N 3.28Å; E59-F61 VanDerWaalsContact C-N 3.32Å; F61-S63 VanDerWaalsContact C-N 3.27Å; F61-S63 PolarHBondContact O-N 3.34Å; F61-C64 PolarHBondContact O-N 2.85Å; F61-S65 WeakPolarHBondContact O-CB 3.18Å; F61-S65 PolarHBondContact O-N 3.41Å; F61-W74 AromaticContact CE1-CH2 3.65Å; F61-W74 HydrophobicContact CE1-CH2 3.65Å; F61-W74 HydrophobicContact CE1-CZ2 4.08Å; F61-W74 AromaticContact CE1-CZ3 3.92Å; F61-W74 HydrophobicContact CE1-CZ3 3.92Å; F61-W74 HydrophobicContact CZ-CH2 4.14Å; F61-W74 HydrophobicContact CZ-CZ3 4.5Å |
| 62 | Y | 45.6 | Very low | 45.1 | Very low | 108 Ų | 108 | 74 Ų | 74 | 42% | 0.424 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.1 | -36.5 | 173.1 | -80.4 | -60.3 | 0 | 0 | 0 | 112.6 | K58 E59 S65 | K58-Y62 HydrophobicContact CD-CE2 3.9Å; K58-Y62 WeakPolarHBondContact CE-OH 3.42Å; K58-Y62 HydrophobicContact CG-CD2 3.78Å; K58-Y62 HydrophobicContact CG-CE2 3.25Å; K58-Y62 WeakPolarHBondContact O-CD2 2.93Å; K58-Y62 PolarHBondContact O-N 3.37Å; E59-Y62 PolarHBondContact O-N 3.26Å; Y62-S65 PolarHBondContact O-N 3.09Å |
| 63 | S | 43.2 | Very low | 44.6 | Very low | 109 Ų | 109 | 68.4 Ų | 68.4 | 76% | 0.762 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -70.7 | -31.6 | 177.1 | -147.7 | 0 | 0 | 0 | 0 | 112.5 | E59 E60 F61 | E59-S63 PolarHBondContact O-N 2.68Å; E59-S63 VanDerWaalsContact O-N 3.17Å; E60-S63 PolarHBondContact O-N 2.85Å; F61-S63 VanDerWaalsContact C-N 3.27Å; F61-S63 PolarHBondContact O-N 3.34Å |
| 64 | C | 41.3 | Very low | 44.3 | Very low | 31 Ų | 31 | 66.8 Ų | 66.8 | 21% | 0.209 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -82.1 | -25.6 | 174.7 | -156 | 0 | 0 | 0 | 0 | 113.1 | W47 E60 F61 G66 | W47-C64 PolarHBondContact O-SG 3.32Å; W47-C64 VanDerWaalsContact O-SG 3.4Å; E60-C64 PolarHBondContact O-N 2.71Å; E60-C64 VanDerWaalsContact O-N 3.13Å; F61-C64 PolarHBondContact O-N 2.85Å; C64-G66 PolarHBondContact O-N 2.8Å |
| 65 | S | 41.4 | Very low | 44.1 | Very low | 47 Ų | 47 | 69.1 Ų | 69.1 | 33% | 0.329 | 38% | 0.382 | S | S | . | . | trans | -79.9 | 35.5 | -176.7 | 175.5 | 0 | 0 | 0 | 0 | 113.4 | F61 Y62 L67 | F61-S65 WeakPolarHBondContact O-CB 3.18Å; F61-S65 PolarHBondContact O-N 3.41Å; Y62-S65 PolarHBondContact O-N 3.09Å; S65-L67 PolarHBondContact O-N 3.19Å | ||
| 66 | G | 38.9 | Very low | 43.7 | Very low | 69 Ų | 69 | 70.8 Ų | 70.8 | 71% | 0.711 | 39% | 0.39 | S | S | * | . | trans | -69.1 | -9.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | C64 | C64-G66 PolarHBondContact O-N 2.8Š| ||
| 67 | L | 36.4 | Very low | 43.3 | Very low | 107 Ų | 107 | 73.1 Ų | 73.1 | 56% | 0.56 | 41% | 0.407 | S | S | * | . | trans | -125.3 | 122.6 | -179.3 | -97.8 | 89.5 | 0 | 0 | 0 | 111.8 | S65 V69 T70 | S65-L67 PolarHBondContact O-N 3.19Å; L67-V69 HydrophobicContact CB-CG2 3.74Å; L67-V69 HydrophobicContact CD2-CG2 3.41Å; L67-V69 VanDerWaalsContact CD2-CG2 3.41Å; L67-V69 HydrophobicContact CG-CG2 4.11Å; L67-V69 PolarHBondContact O-N 3.48Å; L67-V69 VanDerWaalsContact O-N 3.07Å; L67-T70 WeakPolarHBondContact O-CB 3.47Å; L67-T70 PolarHBondContact O-N 2.62Å; L67-T70 PolarHBondContact O-OG1 3.29Å | ||
| 68 | C | 37.7 | Very low | 43.3 | Very low | 119 Ų | 119 | 74.7 Ų | 74.7 | 80% | 0.804 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -52.7 | -25 | 172.8 | -171.7 | 0 | 0 | 0 | 0 | 113.6 | ||
| 69 | V | 34.8 | Very low | 43.1 | Very low | 83 Ų | 83 | 72.8 Ų | 72.8 | 50% | 0.503 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -73.3 | -29.8 | 175.9 | -75.9 | 0 | 0 | 0 | 0 | 113.7 | L67 L71 Q72 | L67-V69 HydrophobicContact CB-CG2 3.74Å; L67-V69 HydrophobicContact CD2-CG2 3.41Å; L67-V69 VanDerWaalsContact CD2-CG2 3.41Å; L67-V69 HydrophobicContact CG-CG2 4.11Å; L67-V69 PolarHBondContact O-N 3.48Å; L67-V69 VanDerWaalsContact O-N 3.07Å; V69-L71 VanDerWaalsContact C-N 3.26Å; V69-L71 PolarHBondContact O-N 2.82Å; V69-Q72 PolarHBondContact O-N 2.84Å |
| 70 | T | 46.6 | Very low | 42.9 | Very low | 22 Ų | 22 | 70.1 Ų | 70.1 | 14% | 0.135 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.8 | -35.4 | -179.2 | -46.8 | 0 | 0 | 0 | 0 | 110.7 | L67 Q72 V73 W74 | L67-T70 WeakPolarHBondContact O-CB 3.47Å; L67-T70 PolarHBondContact O-N 2.62Å; L67-T70 PolarHBondContact O-OG1 3.29Å; T70-Q72 VanDerWaalsContact C-N 3.34Å; T70-Q72 PolarHBondContact O-N 2.92Å; T70-V73 PolarHBondContact O-N 3.04Å; T70-W74 WeakPolarHBondContact O-CB 3.42Å; T70-W74 PolarHBondContact O-N 2.77Å; T70-W74 VanDerWaalsContact O-N 3.07Å |
| 71 | L | 43.1 | Very low | 42.6 | Very low | 59 Ų | 59 | 74.9 Ų | 74.9 | 31% | 0.309 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.1 | -38.1 | 179.2 | -99.2 | 155.2 | 0 | 0 | 0 | 113.9 | V69 I75 I88 | V69-L71 VanDerWaalsContact C-N 3.26Å; V69-L71 PolarHBondContact O-N 2.82Å; L71-I75 WeakPolarHBondContact O-CD1 3.49Å; L71-I75 VanDerWaalsContact O-CG1 3.25Å; L71-I75 WeakPolarHBondContact O-CG1 3.38Å; L71-I75 PolarHBondContact O-N 3.44Å; L71-I88 HydrophobicContact CD1-CD1 4.15Å; L71-I88 HydrophobicContact CD2-CD1 3.14Å; L71-I88 HydrophobicContact CD2-CG1 4.14Å; L71-I88 HydrophobicContact CG-CD1 4.26Å |
| 72 | Q | 40.3 | Very low | 42.5 | Very low | 141 Ų | 141 | 76.2 Ų | 76.2 | 66% | 0.659 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -71.9 | -41.5 | -178.1 | -168 | 170.1 | -45.2 | 0 | 0 | 112.1 | V69 T70 W74 I75 Q76 | V69-Q72 PolarHBondContact O-N 2.84Å; T70-Q72 VanDerWaalsContact C-N 3.34Å; T70-Q72 PolarHBondContact O-N 2.92Å; Q72-W74 VanDerWaalsContact C-N 3.33Å; Q72-I75 PolarHBondContact O-N 2.8Å; Q72-Q76 PolarHBondContact O-N 3.04Å |
| 73 | V | 38.4 | Very low | 42.4 | Very low | 60 Ų | 60 | 72.4 Ų | 72.4 | 36% | 0.364 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -68.3 | -35.1 | 177.8 | -175.3 | 0 | 0 | 0 | 0 | 111 | T70 Q76 S77 | T70-V73 PolarHBondContact O-N 3.04Å; V73-Q76 PolarHBondContact O-N 3.21Å; V73-S77 PolarHBondContact O-N 2.96Å |
| 74 | W | 46.8 | Very low | 42.4 | Very low | 74 Ų | 74 | 69.2 Ų | 69.2 | 28% | 0.28 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -71.5 | -40.2 | 176.8 | -89.3 | 81 | 0 | 0 | 0 | 113.5 | L42 F61 T70 Q72 Q76 S77 L78 | L42-W74 HydrophobicContact CD1-CZ2 3.5Å; L42-W74 HydrophobicContact CD2-CH2 3.86Å; L42-W74 HydrophobicContact CD2-CZ2 3.27Å; L42-W74 HydrophobicContact CG-CZ2 3.93Å; F61-W74 AromaticContact CE1-CH2 3.65Å; F61-W74 HydrophobicContact CE1-CH2 3.65Å; F61-W74 HydrophobicContact CE1-CZ2 4.08Å; F61-W74 AromaticContact CE1-CZ3 3.92Å; F61-W74 HydrophobicContact CE1-CZ3 3.92Å; F61-W74 HydrophobicContact CZ-CH2 4.14Å; F61-W74 HydrophobicContact CZ-CZ3 4.5Å; T70-W74 WeakPolarHBondContact O-CB 3.42Å; T70-W74 PolarHBondContact O-N 2.77Å; T70-W74 VanDerWaalsContact O-N 3.07Å; Q72-W74 VanDerWaalsContact C-N 3.33Å; W74-Q76 PolarHBondContact O-N 3.13Å; W74-S77 PolarHBondContact O-N 3.4Å; W74-L78 HydrophobicContact CE3-CD1 4.3Å; W74-L78 VanDerWaalsContact O-CB 3.29Å; W74-L78 WeakPolarHBondContact O-CB 3.33Å; W74-L78 PolarHBondContact O-N 3.2Å |
| 75 | I | 47.5 | Very low | 42.6 | Very low | 55 Ų | 55 | 69.4 Ų | 69.4 | 28% | 0.282 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.3 | -38.9 | 174.1 | -68.1 | 163.9 | 0 | 0 | 0 | 109.8 | L71 Q72 F79 I85 | L71-I75 WeakPolarHBondContact O-CD1 3.49Å; L71-I75 VanDerWaalsContact O-CG1 3.25Å; L71-I75 WeakPolarHBondContact O-CG1 3.38Å; L71-I75 PolarHBondContact O-N 3.44Å; Q72-I75 PolarHBondContact O-N 2.8Å; I75-F79 WeakPolarHBondContact O-CB 3.29Å; I75-F79 PolarHBondContact O-N 3.45Å; I75-I85 HydrophobicContact CG2-CG2 4.01Å |
| 76 | Q | 41.2 | Very low | 42.9 | Very low | 90 Ų | 90 | 69.1 Ų | 69.1 | 42% | 0.421 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.2 | -44.2 | 174.3 | -79.7 | -176.2 | -94.2 | 0 | 0 | 113.1 | Q72 V73 W74 F79 L80 L107 | Q72-Q76 PolarHBondContact O-N 3.04Å; V73-Q76 PolarHBondContact O-N 3.21Å; W74-Q76 PolarHBondContact O-N 3.13Å; Q76-F79 WeakPolarHBondContact O-CB 3Å; Q76-F79 PolarHBondContact O-N 3.39Å; Q76-L80 WeakPolarHBondContact O-CB 2.98Å; Q76-L80 PolarHBondContact O-N 3.17Å; Q76-L107 HydrophobicContact CG-CD2 4.31Å |
| 77 | S | 42.9 | Very low | 42.9 | Very low | 50 Ų | 50 | 69.1 Ų | 69.1 | 35% | 0.35 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 179.3 | -144.7 | 0 | 0 | 0 | 0 | 111.8 | V73 W74 F79 L80 E81 | V73-S77 PolarHBondContact O-N 2.96Å; W74-S77 PolarHBondContact O-N 3.4Å; S77-F79 VanDerWaalsContact C-N 3.3Å; S77-F79 PolarHBondContact O-N 3.49Å; S77-L80 PolarHBondContact O-N 2.97Å; S77-E81 PolarHBondContact O-N 2.75Å |
| 78 | L | 47.9 | Very low | 43.1 | Very low | 36 Ų | 36 | 67.1 Ų | 67.1 | 19% | 0.188 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.5 | -35.6 | 176.4 | -137.5 | 103.5 | 0 | 0 | 0 | 111.6 | W74 F82 G83 I86 | W74-L78 HydrophobicContact CE3-CD1 4.3Å; W74-L78 VanDerWaalsContact O-CB 3.29Å; W74-L78 WeakPolarHBondContact O-CB 3.33Å; W74-L78 PolarHBondContact O-N 3.2Å; L78-F82 HydrophobicContact CG-CD2 4.11Å; L78-F82 WeakPolarHBondContact O-CA 3.23Å; L78-F82 VanDerWaalsContact O-CB 3.29Å; L78-F82 WeakPolarHBondContact O-CB 3.14Å; L78-F82 PolarHBondContact O-N 3.44Å; L78-G83 PolarHBondContact O-N 2.73Å; L78-I86 HydrophobicContact CD2-CD1 3.43Å; L78-I86 VanDerWaalsContact CD2-CD1 3.43Å; L78-I86 HydrophobicContact CD2-CG1 3.7Å |
| 79 | F | 45.9 | Very low | 42.8 | Very low | 15 Ų | 15 | 66.6 Ų | 66.6 | 7% | 0.066 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.5 | -41.7 | 174.6 | 178.7 | -102.2 | 0 | 0 | 0 | 112.2 | I75 Q76 S77 G83 F84 I85 L103 L107 | I75-F79 WeakPolarHBondContact O-CB 3.29Å; I75-F79 PolarHBondContact O-N 3.45Å; Q76-F79 WeakPolarHBondContact O-CB 3Å; Q76-F79 PolarHBondContact O-N 3.39Å; S77-F79 VanDerWaalsContact C-N 3.3Å; S77-F79 PolarHBondContact O-N 3.49Å; F79-G83 VanDerWaalsContact O-CA 3.23Å; F79-G83 WeakPolarHBondContact O-CA 3.42Å; F79-G83 PolarHBondContact O-N 2.95Å; F79-F84 WeakPolarHBondContact CA-O 3.13Å; F79-F84 PolarHBondContact N-O 3.22Å; F79-I85 HydrophobicContact CD2-CD1 4Å; F79-I85 HydrophobicContact CD2-CG1 3.52Å; F79-I85 HydrophobicContact CE2-CD1 4.14Å; F79-I85 HydrophobicContact CE2-CG1 4.07Å; F79-I85 HydrophobicContact CG-CG1 4.4Å; F79-L103 HydrophobicContact CE2-CB 3.53Å; F79-L103 HydrophobicContact CZ-CB 3.54Å; F79-L107 HydrophobicContact CD1-CD1 4.29Å; F79-L107 HydrophobicContact CE1-CB 4.1Å; F79-L107 HydrophobicContact CE1-CD1 4.08Å |
| 80 | L | 42.5 | Very low | 42.7 | Very low | 114 Ų | 114 | 66 Ų | 66 | 60% | 0.597 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -71.2 | -45.8 | -179.2 | -92.4 | 149.1 | 0 | 0 | 0 | 113 | Q76 S77 | Q76-L80 WeakPolarHBondContact O-CB 2.98Å; Q76-L80 PolarHBondContact O-N 3.17Å; S77-L80 PolarHBondContact O-N 2.97Å |
| 81 | E | 43.1 | Very low | 41.9 | Very low | 137 Ų | 137 | 68.7 Ų | 68.7 | 64% | 0.64 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -83.2 | -34.6 | -177.5 | -80.2 | 179.9 | 75 | 0 | 0 | 113 | S77 | S77-E81 PolarHBondContact O-N 2.75Å |
| 82 | F | 47.9 | Very low | 41.6 | Very low | 74 Ų | 74 | 77.1 Ų | 77.1 | 33% | 0.325 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -118.5 | -12.8 | -170.6 | -54.5 | -85.2 | 0 | 0 | 0 | 114.3 | Y28 L78 F84 | Y28-F82 HydrophobicContact CD1-CZ 4.32Å; Y28-F82 AromaticContact CE1-CE1 3.74Å; Y28-F82 HydrophobicContact CE1-CE1 3.74Å; Y28-F82 AromaticContact CE1-CZ 3.87Å; Y28-F82 HydrophobicContact CE1-CZ 3.87Å; L78-F82 HydrophobicContact CG-CD2 4.11Å; L78-F82 WeakPolarHBondContact O-CA 3.23Å; L78-F82 VanDerWaalsContact O-CB 3.29Å; L78-F82 WeakPolarHBondContact O-CB 3.14Å; L78-F82 PolarHBondContact O-N 3.44Å; F82-F84 VanDerWaalsContact C-N 3.27Å; F82-F84 HydrophobicContact CB-CD2 3.71Å; F82-F84 HydrophobicContact CB-CE2 4.25Å; F82-F84 WeakPolarHBondContact O-CD2 3.16Å; F82-F84 WeakPolarHBondContact O-CE2 3.29Å; F82-F84 PolarHBondContact O-N 3.42Å |
| 83 | G | 43.1 | Very low | 41.3 | Very low | 28 Ų | 28 | 71.8 Ų | 71.8 | 29% | 0.289 | 39% | 0.392 | S | S | . | . | trans | 72.1 | 17.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L78 F79 V100 | L78-G83 PolarHBondContact O-N 2.73Å; F79-G83 VanDerWaalsContact O-CA 3.23Å; F79-G83 WeakPolarHBondContact O-CA 3.42Å; F79-G83 PolarHBondContact O-N 2.95Å; G83-V100 PolarHBondContact O-N 3.19Å | ||
| 84 | F | 43.7 | Very low | 41 | Very low | 42 Ų | 42 | 73.1 Ų | 73.1 | 18% | 0.184 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 141.5 | 178.1 | -59.8 | -82.9 | 0 | 0 | 0 | 110.7 | F79 F82 L97 N99 | F79-F84 WeakPolarHBondContact CA-O 3.13Å; F79-F84 PolarHBondContact N-O 3.22Å; F82-F84 VanDerWaalsContact C-N 3.27Å; F82-F84 HydrophobicContact CB-CD2 3.71Å; F82-F84 HydrophobicContact CB-CE2 4.25Å; F82-F84 WeakPolarHBondContact O-CD2 3.16Å; F82-F84 WeakPolarHBondContact O-CE2 3.29Å; F82-F84 PolarHBondContact O-N 3.42Å; F84-L97 HydrophobicContact CB-CD1 3.66Å; F84-L97 HydrophobicContact CB-CG 4.33Å; F84-L97 HydrophobicContact CD1-CD1 4.08Å; F84-L97 HydrophobicContact CD1-CD2 4.01Å; F84-L97 HydrophobicContact CD1-CG 3.86Å; F84-L97 HydrophobicContact CE1-CD2 4.28Å; F84-L97 HydrophobicContact CG-CD1 3.98Å; F84-L97 HydrophobicContact CG-CD2 4.49Å; F84-L97 HydrophobicContact CG-CG 4.27Å; F84-N99 HydrophobicContact CD1-CB 4.2Å; F84-N99 HydrophobicContact CE1-CB 3.85Å |
| 85 | I | 43.7 | Very low | 40.7 | Very low | 35 Ų | 35 | 73.4 Ų | 73.4 | 18% | 0.179 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 123.5 | 167.1 | -59.1 | -175.6 | 0 | 0 | 0 | 107 | I75 F79 W98 V100 L103 | I75-I85 HydrophobicContact CG2-CG2 4.01Å; F79-I85 HydrophobicContact CD2-CD1 4Å; F79-I85 HydrophobicContact CD2-CG1 3.52Å; F79-I85 HydrophobicContact CE2-CD1 4.14Å; F79-I85 HydrophobicContact CE2-CG1 4.07Å; F79-I85 HydrophobicContact CG-CG1 4.4Å; I85-W98 PolarHBondContact N-O 2.79Å; I85-W98 PolarHBondContact O-N 2.62Å; I85-W98 VanDerWaalsContact O-N 3.17Å; I85-V100 HydrophobicContact CD1-CG2 4.37Å; I85-V100 HydrophobicContact CG1-CG2 4.27Å; I85-L103 HydrophobicContact CD1-CD1 3.56Å |
| 86 | I | 47.6 | Very low | 40.2 | Very low | 42 Ų | 42 | 74.5 Ų | 74.5 | 22% | 0.215 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 104.8 | 166.7 | -61.7 | 178.8 | 0 | 0 | 0 | 106.3 | L78 I88 W95 L97 | L78-I86 HydrophobicContact CD2-CD1 3.43Å; L78-I86 VanDerWaalsContact CD2-CD1 3.43Å; L78-I86 HydrophobicContact CD2-CG1 3.7Å; I86-I88 HydrophobicContact CG2-CG1 4.43Å; I86-W95 HydrophobicContact CG2-CE3 3.55Å; I86-W95 HydrophobicContact CG2-CZ3 3.95Å; I86-L97 HydrophobicContact CG1-CD1 3.94Å |
| 87 | T | 39.6 | Very low | 40.2 | Very low | 69 Ų | 69 | 74.3 Ų | 74.3 | 42% | 0.423 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 123.2 | 170.4 | 2.7 | 0 | 0 | 0 | 0 | 108.4 | Q96 | T87-Q96 PolarHBondContact N-O 2.84Å |
| 88 | I | 41.3 | Very low | 39.9 | Very low | 64 Ų | 64 | 79.7 Ų | 79.7 | 33% | 0.328 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 102.2 | 170.6 | -38.8 | -165.2 | 0 | 0 | 0 | 106.2 | L71 I86 W95 | L71-I88 HydrophobicContact CD1-CD1 4.15Å; L71-I88 HydrophobicContact CD2-CD1 3.14Å; L71-I88 HydrophobicContact CD2-CG1 4.14Å; L71-I88 HydrophobicContact CG-CD1 4.26Å; I86-I88 HydrophobicContact CG2-CG1 4.43Å; I88-W95 HydrophobicContact CD1-CH2 4.19Å; I88-W95 HydrophobicContact CD1-CZ3 4.16Å |
| 89 | D | 30.3 | Very low | 39.4 | Very low | 108 Ų | 108 | 83.4 Ų | 83.4 | 58% | 0.578 | 44% | 0.436 | S | S | * | . | trans | -66.3 | 134.4 | 164.8 | -170.5 | -100.1 | 0 | 0 | 0 | 107.1 | S91 | D89-S91 CarbonylContact O-C 3.51Å; D89-S91 PolarHBondContact O-N 2.72Å | ||
| 90 | G | 32.9 | Very low | 39.3 | Very low | 72 Ų | 72 | 84.2 Ų | 84.2 | 74% | 0.742 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -59.8 | 9.9 | -170.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 91 | S | 30.1 | Very low | 39.2 | Very low | 78 Ų | 78 | 84.6 Ų | 84.6 | 55% | 0.545 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -90 | 106.2 | 163.1 | -67.1 | 0 | 0 | 0 | 0 | 110.2 | D89 G93 N94 | D89-S91 CarbonylContact O-C 3.51Å; D89-S91 PolarHBondContact O-N 2.72Å; S91-G93 VanDerWaalsContact C-N 3.29Å; S91-G93 PolarHBondContact O-N 3.49Å; S91-N94 PolarHBondContact O-N 3.4Å |
| 92 | Y | 35.9 | Very low | 38.8 | Very low | 235 Ų | 235 | 86.8 Ų | 86.8 | 92% | 0.922 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -39.6 | 75 | 174.3 | -63.2 | -94.5 | 0 | 0 | 0 | 115.3 | ||
| 93 | G | 34.3 | Very low | 38.2 | Very low | 30 Ų | 30 | 85.4 Ų | 85.4 | 31% | 0.309 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 156.5 | -13.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | S91 | S91-G93 VanDerWaalsContact C-N 3.29Å; S91-G93 PolarHBondContact O-N 3.49Å |
| 94 | N | 32.8 | Very low | 38 | Very low | 88 Ų | 88 | 91.5 Ų | 91.5 | 47% | 0.471 | 47% | 0.469 | S | S | . | . | trans | -103.2 | 98.2 | -174.2 | -153.3 | -4.6 | 0 | 0 | 0 | 112.4 | S91 Q96 | S91-N94 PolarHBondContact O-N 3.4Å; N94-Q96 PolarHBondContact OD1-NE2 2.59Å | ||
| 95 | W | 41.3 | Very low | 37.3 | Very low | 79 Ų | 79 | 96.5 Ų | 96.5 | 30% | 0.299 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 113.6 | 179.2 | -60.4 | 74.2 | 0 | 0 | 0 | 109.3 | I86 I88 | I86-W95 HydrophobicContact CG2-CE3 3.55Å; I86-W95 HydrophobicContact CG2-CZ3 3.95Å; I88-W95 HydrophobicContact CD1-CH2 4.19Å; I88-W95 HydrophobicContact CD1-CZ3 4.16Å |
| 96 | Q | 36 | Very low | 36.8 | Very low | 79 Ų | 79 | 101 Ų | 101 | 37% | 0.369 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 117.3 | 177.5 | -61.2 | -66.2 | -36.1 | 0 | 0 | 109.2 | T87 N94 | T87-Q96 PolarHBondContact N-O 2.84Å; N94-Q96 PolarHBondContact OD1-NE2 2.59Å |
| 97 | L | 41 | Very low | 36 | Very low | 86 Ų | 86 | 102.5 Ų | 102.5 | 45% | 0.45 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 107.9 | 177.6 | -171.4 | 75.9 | 0 | 0 | 0 | 109 | F84 I86 | F84-L97 HydrophobicContact CB-CD1 3.66Å; F84-L97 HydrophobicContact CB-CG 4.33Å; F84-L97 HydrophobicContact CD1-CD1 4.08Å; F84-L97 HydrophobicContact CD1-CD2 4.01Å; F84-L97 HydrophobicContact CD1-CG 3.86Å; F84-L97 HydrophobicContact CE1-CD2 4.28Å; F84-L97 HydrophobicContact CG-CD1 3.98Å; F84-L97 HydrophobicContact CG-CD2 4.49Å; F84-L97 HydrophobicContact CG-CG 4.27Å; I86-L97 HydrophobicContact CG1-CD1 3.94Å |
| 98 | W | 37.9 | Very low | 35.7 | Very low | 162 Ų | 162 | 106.1 Ų | 106.1 | 61% | 0.614 | 55% | 0.545 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 118.9 | 175 | -69.4 | 84.6 | 0 | 0 | 0 | 109.7 | I85 V100 | I85-W98 PolarHBondContact N-O 2.79Å; I85-W98 PolarHBondContact O-N 2.62Å; I85-W98 VanDerWaalsContact O-N 3.17Å; W98-V100 HydrophobicContact CB-CG2 3.99Å; W98-V100 PolarHBondContact O-N 2.87Å |
| 99 | N | 37.2 | Very low | 34.9 | Very low | 115 Ų | 115 | 110.5 Ų | 110.5 | 62% | 0.615 | 57% | 0.569 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77 | 105.6 | 168.5 | -170.2 | -30.9 | 0 | 0 | 0 | 107.4 | F84 P101 | F84-N99 HydrophobicContact CD1-CB 4.2Å; F84-N99 HydrophobicContact CE1-CB 3.85Å; N99-P101 WeakPolarHBondContact O-CD 3.45Å |
| 100 | V | 42.9 | Very low | 34.8 | Very low | 31 Ų | 31 | 112.5 Ų | 112.5 | 19% | 0.188 | 60% | 0.601 | C | S | . | * | trans | -112.3 | 90.2 | -177.8 | -152.4 | 0 | 0 | 0 | 0 | 110.5 | G83 I85 W98 F102 L103 | G83-V100 PolarHBondContact O-N 3.19Å; I85-V100 HydrophobicContact CD1-CG2 4.37Å; I85-V100 HydrophobicContact CG1-CG2 4.27Å; W98-V100 HydrophobicContact CB-CG2 3.99Å; W98-V100 PolarHBondContact O-N 2.87Å; V100-F102 HydrophobicContact CG1-CB 4.21Å; V100-F102 PolarHBondContact O-N 3.21Å; V100-F102 VanDerWaalsContact O-N 3.12Å; V100-L103 HydrophobicContact CB-CB 4.22Å; V100-L103 HydrophobicContact CB-CD1 4.08Å; V100-L103 HydrophobicContact CG1-CB 3.76Å; V100-L103 HydrophobicContact CG1-CD1 3.47Å; V100-L103 VanDerWaalsContact CG1-CD1 3.47Å; V100-L103 HydrophobicContact CG1-CG 3.91Å; V100-L103 HydrophobicContact CG2-CD1 4.03Å | ||
| 101 | P | 41.3 | Very low | 34.9 | Very low | 122 Ų | 122 | 114.6 Ų | 114.6 | 79% | 0.792 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -2.4 | 168.9 | 27.2 | -31.6 | 0 | 0 | 0 | 113.1 | N99 | N99-P101 WeakPolarHBondContact O-CD 3.45Š|
| 102 | F | 34.3 | Very low | 35.2 | Very low | 183 Ų | 183 | 116.5 Ų | 116.5 | 80% | 0.803 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | -15.5 | -167.9 | -157.9 | -100.9 | 0 | 0 | 0 | 115.7 | V100 | V100-F102 HydrophobicContact CG1-CB 4.21Å; V100-F102 PolarHBondContact O-N 3.21Å; V100-F102 VanDerWaalsContact O-N 3.12Å |
| 103 | L | 35.8 | Very low | 35.2 | Very low | 45 Ų | 45 | 109.9 Ų | 109.9 | 24% | 0.236 | 58% | 0.578 | C | S | . | * | G | 310 helix | trans | -88.7 | -8.3 | -170.1 | -102.6 | 147.7 | 0 | 0 | 0 | 114.8 | F79 I85 V100 N105 L106 | F79-L103 HydrophobicContact CE2-CB 3.53Å; F79-L103 HydrophobicContact CZ-CB 3.54Å; I85-L103 HydrophobicContact CD1-CD1 3.56Å; V100-L103 HydrophobicContact CB-CB 4.22Å; V100-L103 HydrophobicContact CB-CD1 4.08Å; V100-L103 HydrophobicContact CG1-CB 3.76Å; V100-L103 HydrophobicContact CG1-CD1 3.47Å; V100-L103 VanDerWaalsContact CG1-CD1 3.47Å; V100-L103 HydrophobicContact CG1-CG 3.91Å; V100-L103 HydrophobicContact CG2-CD1 4.03Å; L103-N105 PolarHBondContact O-N 3.35Å; L103-L106 HydrophobicContact CD2-CB 3.88Å; L103-L106 HydrophobicContact CD2-CD2 3.89Å; L103-L106 PolarHBondContact O-N 3.36Å |
| 104 | R | 37.6 | Very low | 35.2 | Very low | 157 Ų | 157 | 114.6 Ų | 114.6 | 59% | 0.592 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -61.5 | -19.9 | -176.4 | -144.7 | -151.4 | -81.9 | -89.2 | 6.3 | 113.2 | ||
| 105 | N | 30.4 | Very low | 35.4 | Very low | 146 Ų | 146 | 116.3 Ų | 116.3 | 78% | 0.781 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -90.4 | -16.7 | 176.7 | -73.8 | -44.8 | 0 | 0 | 0 | 114.6 | L103 | L103-N105 PolarHBondContact O-N 3.35Š|
| 106 | L | 31.4 | Very low | 35 | Very low | 129 Ų | 129 | 118.7 Ų | 118.7 | 68% | 0.675 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -18.8 | -173.9 | -155.1 | 74 | 0 | 0 | 0 | 113.1 | L103 | L103-L106 HydrophobicContact CD2-CB 3.88Å; L103-L106 HydrophobicContact CD2-CD2 3.89Å; L103-L106 PolarHBondContact O-N 3.36Å |
| 107 | L | 32.5 | Very low | 34.9 | Very low | 75 Ų | 75 | 121.6 Ų | 121.6 | 39% | 0.393 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -96.6 | -1.2 | -176.8 | -129.7 | 122.3 | 0 | 0 | 0 | 113.9 | Q76 F79 | Q76-L107 HydrophobicContact CG-CD2 4.31Å; F79-L107 HydrophobicContact CD1-CD1 4.29Å; F79-L107 HydrophobicContact CE1-CB 4.1Å; F79-L107 HydrophobicContact CE1-CD1 4.08Å |
| 108 | I | 33.1 | Very low | 34.4 | Very low | 145 Ų | 145 | 124.3 Ų | 124.3 | 74% | 0.744 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -97 | -10.5 | 175.6 | -61.6 | -178.8 | 0 | 0 | 0 | 111.3 | ||
| 109 | D | 25 | Very low | 34.1 | Very low | 155 Ų | 155 | 121.2 Ų | 121.2 | 83% | 0.829 | 66% | 0.658 | S | S | * | * | trans | -112.9 | 15.5 | -176.9 | -154.9 | -117.6 | 0 | 0 | 0 | 114 | ||||
| 110 | A | 28.2 | Very low | 33.8 | Very low | 151 Ų | 151 | 121.7 Ų | 121.7 | 100% | 1.248 | 66% | 0.662 | S | S | * | * | trans | -122.6 | 0 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 |
Retrieved 110 of 110 residues in 26.2 ms
(Link to these results)