| 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 | 45.4 | Very low | 55 | Low | 246 Ų | 246 | 146.7 Ų | 146.7 | 100% | 1.212 | 81% | 0.81 | S | S | * | * | 0 | 103.5 | 0 | -62.7 | 85.2 | 160.6 | 0 | 0 | 106.5 | |||||
| 2 | G | 50.6 | Low | 54.5 | Low | 86 Ų | 86 | 149 Ų | 149 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | cis | 94.2 | 96.2 | 34.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 3 | G | 53.4 | Low | 53.7 | Low | 74 Ų | 74 | 145.2 Ų | 145.2 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | trans | 162.2 | 57.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 4 | E | 59.7 | Low | 53.6 | Low | 185 Ų | 185 | 142.5 Ų | 142.5 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | -63.3 | 125.8 | 160.8 | 59.1 | -154.4 | 126.8 | 0 | 0 | 108.9 | P6 | E4-P6 VanDerWaalsContact O-CD 3.27Å; E4-P6 WeakPolarHBondContact O-CD 3.17Å | ||
| 5 | M | 61.8 | Low | 53.6 | Low | 165 Ų | 165 | 137.3 Ų | 137.3 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | -76.2 | 115.3 | 172.5 | -63.5 | -151.4 | -152.1 | 0 | 0 | 107.6 | W7 | M5-W7 PolarHBondContact O-N 3.07Š| ||
| 6 | P | 59.3 | Low | 53.3 | Low | 109 Ų | 109 | 135.8 Ų | 135.8 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | trans | -69.5 | 107.2 | 169.7 | 29.9 | -28.4 | 0 | 0 | 0 | 105.6 | E4 T8 | E4-P6 VanDerWaalsContact O-CD 3.27Å; E4-P6 WeakPolarHBondContact O-CD 3.17Å; P6-T8 PolarHBondContact O-N 3.23Å | ||
| 7 | W | 50.9 | Low | 53.7 | Low | 235 Ų | 235 | 137.2 Ų | 137.2 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | trans | -61.5 | 87.1 | 160.5 | -79.9 | 21.8 | 0 | 0 | 0 | 106.7 | M5 I9 | M5-W7 PolarHBondContact O-N 3.07Å; W7-I9 PolarHBondContact O-N 3.1Å | ||
| 8 | T | 52.5 | Low | 54.8 | Low | 110 Ų | 110 | 133.7 Ų | 133.7 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | trans | -65.9 | 92.5 | 164.2 | -60.3 | 0 | 0 | 0 | 0 | 105.9 | P6 L10 | P6-T8 PolarHBondContact O-N 3.23Å; T8-L10 VanDerWaalsContact C-N 3.25Å; T8-L10 HydrophobicContact CG2-CD2 4.35Å; T8-L10 HydrophobicContact CG2-CG 4.42Å; T8-L10 PolarHBondContact O-N 2.96Å | ||
| 9 | I | 56.7 | Low | 56.5 | Low | 128 Ų | 128 | 127.8 Ų | 127.8 | 66% | 0.656 | 75% | 0.751 | S | S | * | * | trans | -61.2 | 96.1 | 165.7 | -57.8 | 173.5 | 0 | 0 | 0 | 105.3 | W7 L11 | W7-I9 PolarHBondContact O-N 3.1Å; I9-L11 HydrophobicContact CG2-CD2 3.89Å; I9-L11 HydrophobicContact CG2-CG 3.93Å; I9-L11 PolarHBondContact O-N 3.09Å | ||
| 10 | L | 59.4 | Low | 58.2 | Low | 124 Ų | 124 | 124.9 Ų | 124.9 | 65% | 0.649 | 74% | 0.735 | S | S | * | * | trans | -67.4 | 89.3 | 165.5 | -73.4 | 169.4 | 0 | 0 | 0 | 106.8 | T8 F12 | T8-L10 VanDerWaalsContact C-N 3.25Å; T8-L10 HydrophobicContact CG2-CD2 4.35Å; T8-L10 HydrophobicContact CG2-CG 4.42Å; T8-L10 PolarHBondContact O-N 2.96Å; L10-F12 HydrophobicContact CB-CD2 4.26Å; L10-F12 HydrophobicContact CB-CE2 3.83Å; L10-F12 HydrophobicContact CB-CZ 4.27Å; L10-F12 HydrophobicContact CD1-CE2 4.39Å; L10-F12 HydrophobicContact CD1-CZ 4.26Å; L10-F12 WeakPolarHBondContact O-CD2 3.32Å; L10-F12 PolarHBondContact O-N 3.17Å | ||
| 11 | L | 54.9 | Low | 60 | Low | 152 Ų | 152 | 121.1 Ų | 121.1 | 80% | 0.796 | 72% | 0.719 | S | S | * | * | trans | -68.4 | 90 | 164 | -69 | 172.5 | 0 | 0 | 0 | 106.8 | I9 A13 | I9-L11 HydrophobicContact CG2-CD2 3.89Å; I9-L11 HydrophobicContact CG2-CG 3.93Å; I9-L11 PolarHBondContact O-N 3.09Å; L11-A13 VanDerWaalsContact C-N 3.27Å; L11-A13 PolarHBondContact O-N 3.07Å | ||
| 12 | F | 49.5 | Very low | 62.5 | Low | 174 Ų | 174 | 109.7 Ų | 109.7 | 76% | 0.763 | 66% | 0.663 | S | S | * | * | trans | -63.8 | 98.3 | 161.1 | -67.3 | -79.2 | 0 | 0 | 0 | 106.7 | L10 S14 | L10-F12 HydrophobicContact CB-CD2 4.26Å; L10-F12 HydrophobicContact CB-CE2 3.83Å; L10-F12 HydrophobicContact CB-CZ 4.27Å; L10-F12 HydrophobicContact CD1-CE2 4.39Å; L10-F12 HydrophobicContact CD1-CZ 4.26Å; L10-F12 WeakPolarHBondContact O-CD2 3.32Å; L10-F12 PolarHBondContact O-N 3.17Å; F12-S14 PolarHBondContact O-N 2.94Å | ||
| 13 | A | 44.3 | Very low | 64.7 | Low | 100 Ų | 100 | 109 Ų | 109 | 83% | 0.826 | 64% | 0.644 | S | S | * | * | trans | -64.8 | 87.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | L11 G15 | L11-A13 VanDerWaalsContact C-N 3.27Å; L11-A13 PolarHBondContact O-N 3.07Å; A13-G15 PolarHBondContact O-N 3.12Å | ||
| 14 | S | 52.4 | Low | 66.8 | Low | 107 Ų | 107 | 106.6 Ų | 106.6 | 75% | 0.748 | 61% | 0.614 | S | S | * | * | trans | -69 | 85.1 | 166.6 | 61.9 | 0 | 0 | 0 | 0 | 106.7 | F12 S16 | F12-S14 PolarHBondContact O-N 2.94Å; S14-S16 PolarHBondContact O-N 2.83Å | ||
| 15 | G | 52.6 | Low | 68.6 | Low | 64 Ų | 64 | 100.6 Ų | 100.6 | 66% | 0.66 | 59% | 0.592 | S | S | * | * | trans | -62.3 | 104.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | A13 L17 | A13-G15 PolarHBondContact O-N 3.12Å; G15-L17 VanDerWaalsContact C-N 3.34Å; G15-L17 PolarHBondContact O-N 2.72Å | ||
| 16 | S | 49.3 | Very low | 70.2 | Confident | 113 Ų | 113 | 94.7 Ų | 94.7 | 79% | 0.79 | 56% | 0.564 | S | S | * | * | trans | -60.1 | 102.1 | 165 | -60.5 | 0 | 0 | 0 | 0 | 107 | S14 A18 | S14-S16 PolarHBondContact O-N 2.83Å; S16-A18 PolarHBondContact O-N 3.26Å | ||
| 17 | L | 59.6 | Low | 71.9 | Confident | 160 Ų | 160 | 91.4 Ų | 91.4 | 84% | 0.838 | 54% | 0.542 | S | S | * | . | trans | -71.6 | 78.1 | 169 | -129.2 | 98.6 | 0 | 0 | 0 | 106.6 | G15 I19 | G15-L17 VanDerWaalsContact C-N 3.34Å; G15-L17 PolarHBondContact O-N 2.72Å; L17-I19 PolarHBondContact O-N 3Å | ||
| 18 | A | 73.4 | Confident | 74 | Confident | 74 Ų | 74 | 84.5 Ų | 84.5 | 61% | 0.612 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 116.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | S16 | S16-A18 PolarHBondContact O-N 3.26Š|
| 19 | I | 87.7 | Confident | 75.9 | Confident | 23 Ų | 23 | 83.3 Ų | 83.3 | 12% | 0.118 | 52% | 0.521 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 121.4 | 178.6 | -66.1 | 171.9 | 0 | 0 | 0 | 107.4 | L17 Y98 V100 Q108 D111 | L17-I19 PolarHBondContact O-N 3Å; I19-Y98 HydrophobicContact CG2-CE1 4.45Å; I19-Y98 HydrophobicContact CG2-CE2 3.66Å; I19-Y98 VanDerWaalsContact CG2-CZ 3.5Å; I19-Y98 WeakPolarHBondContact CG2-OH 3.11Å; I19-V100 HydrophobicContact CD1-CG2 3.75Å; I19-Q108 HydrophobicContact CD1-CB 3.38Å; I19-D111 PolarHBondContact O-N 2.94Å |
| 20 | P | 91.1 | Very high | 77.5 | Confident | 68 Ų | 68 | 84.3 Ų | 84.3 | 44% | 0.442 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 145.6 | -170 | 28.2 | -37.7 | 0 | 0 | 0 | 112.1 | P45 Y98 | P20-P45 HydrophobicContact CB-CG 3.76Å; P20-P45 HydrophobicContact CG-CG 3.41Å; P20-P45 VanDerWaalsContact CG-CG 3.41Å; P20-Y98 WeakPolarHBondContact O-CE1 3.39Å; P20-Y98 PolarHBondContact O-OH 2.74Å |
| 21 | A | 95.2 | Very high | 78.8 | Confident | 46 Ų | 46 | 79.2 Ų | 79.2 | 38% | 0.38 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -62 | 141.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D111 F112 | A21-D111 HydrophobicContact CB-CB 4.01Å; A21-F112 WeakPolarHBondContact CB-O 3.34Å |
| 22 | P | 97.3 | Very high | 80.4 | Confident | 6 Ų | 6 | 75.3 Ų | 75.3 | 4% | 0.039 | 48% | 0.477 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 158.1 | 173.5 | 30 | -30.8 | 0 | 0 | 0 | 112.3 | T43 Y98 D111 S113 | P22-T43 WeakPolarHBondContact CA-O 3.43Å; P22-T43 VanDerWaalsContact CB-O 3.28Å; P22-T43 WeakPolarHBondContact CB-O 3.47Å; P22-Y98 HydrophobicContact CB-CD1 3.75Å; P22-Y98 HydrophobicContact CB-CE1 4.02Å; P22-Y98 HydrophobicContact CG-CD1 3.76Å; P22-Y98 HydrophobicContact CG-CE1 4.19Å; P22-D111 VanDerWaalsContact CD-O 3.23Å; P22-D111 WeakPolarHBondContact CD-O 3.47Å; P22-S113 WeakPolarHBondContact O-CA 3.47Å; P22-S113 WeakPolarHBondContact O-CB 3.38Å |
| 23 | S | 97.3 | Very high | 82 | Confident | 72 Ų | 72 | 67.8 Ų | 67.8 | 50% | 0.503 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 143.2 | 167.7 | 58.9 | 0 | 0 | 0 | 0 | 110.7 | C42 T43 | S23-C42 WeakPolarHBondContact O-CA 3.37Å; S23-T43 PolarHBondContact N-O 2.85Å; S23-T43 PolarHBondContact O-N 3.27Å; S23-T43 PolarHBondContact OG-O 3.43Å |
| 24 | I | 97.9 | Very high | 83.8 | Confident | 24 Ų | 24 | 67.7 Ų | 67.7 | 12% | 0.123 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 140.5 | 177.7 | -169.3 | 170 | 0 | 0 | 0 | 110.3 | I40 S41 L55 F94 C96 S113 Q114 V116 | I24-I40 HydrophobicContact CD1-CG2 3.81Å; I24-I40 HydrophobicContact CG1-CG2 3.66Å; I24-S41 WeakPolarHBondContact CA-O 3.49Å; I24-L55 HydrophobicContact CD1-CD1 4.27Å; I24-F94 HydrophobicContact CD1-CB 4.44Å; I24-C96 HydrophobicContact CD1-CB 3.95Å; I24-S113 WeakPolarHBondContact CG2-OG 3.37Å; I24-Q114 WeakPolarHBondContact CG2-O 3.27Å; I24-V116 HydrophobicContact CD1-CG1 3.74Å; I24-V116 HydrophobicContact CG1-CG1 3.97Å; I24-V116 HydrophobicContact CG2-CB 4.38Å |
| 25 | S | 96.9 | Very high | 85.3 | Confident | 58 Ų | 58 | 68.2 Ų | 68.2 | 41% | 0.406 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 156 | 175.2 | 60.4 | 0 | 0 | 0 | 0 | 112.6 | S41 | S25-S41 PolarHBondContact N-O 2.96Å; S25-S41 PolarHBondContact O-N 3.05Å |
| 26 | L | 95.3 | Very high | 86.9 | Confident | 42 Ų | 42 | 67.4 Ų | 67.4 | 22% | 0.22 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 137.5 | 168.5 | -71.1 | 166.6 | 0 | 0 | 0 | 109.2 | Y30 I38 I40 V116 V118 | L26-Y30 HydrophobicContact CB-CD1 4.08Å; L26-Y30 HydrophobicContact CB-CE1 3.89Å; L26-I38 HydrophobicContact CD2-CG2 3.8Å; L26-I40 HydrophobicContact CD2-CG1 3.82Å; L26-V116 HydrophobicContact CD1-CG2 4.05Å; L26-V116 HydrophobicContact CG-CG2 3.86Å; L26-V118 HydrophobicContact CD1-CG2 4.18Å; L26-V118 HydrophobicContact CD2-CG2 3.77Å; L26-V118 HydrophobicContact CG-CG2 4.48Å |
| 27 | V | 95.9 | Very high | 88.8 | Confident | 40 Ų | 40 | 64.2 Ų | 64.2 | 24% | 0.242 | 38% | 0.376 | C | S | . | . | trans | -116.1 | 146.6 | 176.6 | -63.1 | 0 | 0 | 0 | 0 | 110.8 | Y39 T75 | V27-Y39 VanDerWaalsContact CG2-CB 3.49Å; V27-Y39 PolarHBondContact N-O 2.84Å; V27-T75 HydrophobicContact CG2-CG2 3.92Å | ||
| 28 | P | 94.4 | Very high | 90.3 | Very high | 90 Ų | 90 | 56.6 Ų | 56.6 | 58% | 0.584 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -57.8 | 148.4 | 176.8 | -25.3 | 34 | 0 | 0 | 0 | 112.9 | Y30 | P28-Y30 HydrophobicContact CG-CE2 3.94Š|
| 29 | P | 92.3 | Very high | 91.3 | Very high | 84 Ų | 84 | 56.3 Ų | 56.3 | 55% | 0.545 | 32% | 0.32 | S | S | . | . | S | Bend | cis | -75.7 | 135.3 | -0.9 | 30.5 | -35.7 | 0 | 0 | 0 | 112.9 | Y39 | P29-Y39 HydrophobicContact CG-CD2 4.04Å; P29-Y39 HydrophobicContact CG-CE2 3.8Å |
| 30 | Y | 89.9 | Confident | 91.7 | Very high | 149 Ų | 149 | 55.2 Ų | 55.2 | 58% | 0.584 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -74.8 | 138.8 | 175.2 | -56.7 | -66.4 | 0 | 0 | 0 | 110.4 | L26 P28 S32 | L26-Y30 HydrophobicContact CB-CD1 4.08Å; L26-Y30 HydrophobicContact CB-CE1 3.89Å; P28-Y30 HydrophobicContact CG-CE2 3.94Å; Y30-S32 PolarHBondContact O-N 2.82Å |
| 31 | P | 88.5 | Confident | 92 | Very high | 17 Ų | 17 | 52.6 Ų | 52.6 | 11% | 0.11 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -71 | 131.5 | -175.4 | 31.4 | -38 | 0 | 0 | 0 | 111.3 | D36 I38 V118 F120 | P31-D36 HydrophobicContact CB-CB 3.87Å; P31-I38 HydrophobicContact CB-CG1 4.28Å; P31-I38 HydrophobicContact CG-CG1 4.15Å; P31-V118 HydrophobicContact CG-CG1 4.04Å; P31-F120 HydrophobicContact CB-CD1 3.9Å; P31-F120 HydrophobicContact CB-CE1 3.64Å; P31-F120 HydrophobicContact CG-CD1 4.13Å; P31-F120 HydrophobicContact CG-CE1 3.83Å |
| 32 | S | 86.9 | Confident | 92.1 | Very high | 70 Ų | 70 | 50.4 Ų | 50.4 | 49% | 0.49 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -95.4 | -18.4 | 174.4 | 76.9 | 0 | 0 | 0 | 0 | 112.7 | Y30 D36 P121 | Y30-S32 PolarHBondContact O-N 2.82Å; S32-D36 VanDerWaalsContact CA-OD2 3.26Å; S32-D36 WeakPolarHBondContact CA-OD2 3.44Å; S32-D36 VanDerWaalsContact CB-OD2 3.3Å; S32-D36 WeakPolarHBondContact CB-OD2 3.28Å; S32-D36 PolarHBondContact N-OD2 3.21Å; S32-D36 PolarHBondContact OG-OD2 2.87Å; S32-P121 WeakPolarHBondContact O-CD 3.26Å; S32-P121 WeakPolarHBondContact O-CG 3.46Å |
| 33 | S | 84.4 | Confident | 92.1 | Very high | 16 Ų | 16 | 52.1 Ų | 52.1 | 11% | 0.112 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -144.2 | 165.5 | -177.2 | 82.7 | 0 | 0 | 0 | 0 | 111 | E35 D36 F120 | S33-E35 WeakPolarHBondContact CB-OE2 3.43Å; S33-E35 PolarHBondContact O-N 2.72Å; S33-E35 PolarHBondContact OG-N 2.91Å; S33-E35 PolarHBondContact OG-OE2 3.49Å; S33-D36 PolarHBondContact N-OD2 3.23Å; S33-D36 WeakPolarHBondContact O-CB 3.36Å; S33-D36 PolarHBondContact O-N 3.47Å; S33-D36 PolarHBondContact OG-N 2.91Å; S33-D36 PolarHBondContact OG-OD1 3.02Å; S33-D36 PolarHBondContact OG-OD2 3.35Å; S33-F120 WeakPolarHBondContact O-CD1 3.06Å; S33-F120 WeakPolarHBondContact O-CE1 3.5Å |
| 34 | H | 82.3 | Confident | 92.1 | Very high | 99 Ų | 99 | 48.8 Ų | 48.8 | 46% | 0.458 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -12.4 | -179.1 | 63.3 | -80.8 | 0 | 0 | 0 | 112.3 | G80 A90 F120 | H34-G80 WeakPolarHBondContact O-CA 3.48Å; H34-A90 HydrophobicContact CB-CB 3.81Å; H34-A90 VanDerWaalsContact O-CB 3.32Å; H34-A90 WeakPolarHBondContact O-CB 3.42Å; H34-F120 HydrophobicContact CB-CD2 4.02Å; H34-F120 HydrophobicContact CB-CE2 3.77Å; H34-F120 HydrophobicContact CB-CZ 4.17Å |
| 35 | E | 82.9 | Confident | 91.9 | Very high | 118 Ų | 118 | 50 Ų | 50 | 55% | 0.551 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -15.2 | 176.1 | -54.5 | 91.7 | 147.3 | 0 | 0 | 112.3 | S33 | S33-E35 WeakPolarHBondContact CB-OE2 3.43Å; S33-E35 PolarHBondContact O-N 2.72Å; S33-E35 PolarHBondContact OG-N 2.91Å; S33-E35 PolarHBondContact OG-OE2 3.49Å |
| 36 | D | 85.6 | Confident | 91.5 | Very high | 47 Ų | 47 | 50 Ų | 50 | 25% | 0.251 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -75.2 | 143.2 | 178.8 | -62.5 | -10.6 | 0 | 0 | 0 | 110.5 | P31 S32 S33 | P31-D36 HydrophobicContact CB-CB 3.87Å; S32-D36 VanDerWaalsContact CA-OD2 3.26Å; S32-D36 WeakPolarHBondContact CA-OD2 3.44Å; S32-D36 VanDerWaalsContact CB-OD2 3.3Å; S32-D36 WeakPolarHBondContact CB-OD2 3.28Å; S32-D36 PolarHBondContact N-OD2 3.21Å; S32-D36 PolarHBondContact OG-OD2 2.87Å; S33-D36 PolarHBondContact N-OD2 3.23Å; S33-D36 WeakPolarHBondContact O-CB 3.36Å; S33-D36 PolarHBondContact O-N 3.47Å; S33-D36 PolarHBondContact OG-N 2.91Å; S33-D36 PolarHBondContact OG-OD1 3.02Å; S33-D36 PolarHBondContact OG-OD2 3.35Å |
| 37 | P | 89.3 | Confident | 91 | Very high | 45 Ų | 45 | 55.3 Ų | 55.3 | 29% | 0.292 | 31% | 0.314 | S | S | . | . | trans | -66.1 | 141 | 175 | 28.4 | -34.3 | 0 | 0 | 0 | 110.8 | Y39 | P37-Y39 HydrophobicContact CB-CE2 4.07Å; P37-Y39 HydrophobicContact CG-CE2 3.93Å | ||
| 38 | I | 91.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 118.8 | 178.1 | -51 | 163.6 | 0 | 0 | 0 | 108 | L26 P31 I40 V78 A90 V118 F120 | L26-I38 HydrophobicContact CD2-CG2 3.8Å; P31-I38 HydrophobicContact CB-CG1 4.28Å; P31-I38 HydrophobicContact CG-CG1 4.15Å; I38-I40 HydrophobicContact CG2-CD1 4.16Å; I38-I40 HydrophobicContact CG2-CG1 3.91Å; I38-V78 HydrophobicContact CB-CB 4.33Å; I38-V78 PolarHBondContact N-O 2.99Å; I38-V78 PolarHBondContact O-N 3.34Å; I38-A90 WeakPolarHBondContact CD1-O 2.96Å; I38-V118 HydrophobicContact CD1-CG1 3.94Å; I38-V118 HydrophobicContact CG1-CG1 4.3Å; I38-V118 HydrophobicContact CG2-CG1 4.17Å; I38-V118 HydrophobicContact CG2-CG2 4.01Å; I38-F120 HydrophobicContact CD1-CZ 4.25Å |
| 39 | Y | 94.8 | Very high | 90.5 | Very high | 69 Ų | 69 | 55.3 Ų | 55.3 | 27% | 0.271 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 118.4 | 175 | -61.1 | -78.9 | 0 | 0 | 0 | 110.7 | V27 P29 P37 T75 F76 N77 | V27-Y39 VanDerWaalsContact CG2-CB 3.49Å; V27-Y39 PolarHBondContact N-O 2.84Å; P29-Y39 HydrophobicContact CG-CD2 4.04Å; P29-Y39 HydrophobicContact CG-CE2 3.8Å; P37-Y39 HydrophobicContact CB-CE2 4.07Å; P37-Y39 HydrophobicContact CG-CE2 3.93Å; Y39-T75 HydrophobicContact CD1-CG2 4.19Å; Y39-F76 WeakPolarHBondContact CA-O 3.46Å; Y39-N77 HydrophobicContact CD1-CB 4.33Å; Y39-N77 HydrophobicContact CE1-CB 4.13Å |
| 40 | I | 96.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 118.7 | -179.2 | -58.2 | 173.9 | 0 | 0 | 0 | 108.1 | I24 L26 I38 L55 T75 F76 V78 F94 | I24-I40 HydrophobicContact CD1-CG2 3.81Å; I24-I40 HydrophobicContact CG1-CG2 3.66Å; L26-I40 HydrophobicContact CD2-CG1 3.82Å; I38-I40 HydrophobicContact CG2-CD1 4.16Å; I38-I40 HydrophobicContact CG2-CG1 3.91Å; I40-L55 HydrophobicContact CD1-CD1 4.33Å; I40-L55 HydrophobicContact CD1-CD2 4.12Å; I40-L55 HydrophobicContact CG2-CD1 4.1Å; I40-T75 CarbonylContact O-C 3.59Å; I40-T75 WeakPolarHBondContact O-CA 3.47Å; I40-F76 HydrophobicContact CB-CB 4.48Å; I40-F76 PolarHBondContact N-O 3.12Å; I40-F76 VanDerWaalsContact N-O 3.11Å; I40-F76 PolarHBondContact O-N 3.13Å; I40-V78 HydrophobicContact CD1-CG2 4.35Å; I40-F94 HydrophobicContact CD1-CB 3.99Å; I40-F94 HydrophobicContact CD1-CD1 3.77Å; I40-F94 HydrophobicContact CD1-CD2 3.91Å; I40-F94 HydrophobicContact CD1-CE1 4.18Å; I40-F94 HydrophobicContact CD1-CE2 4.32Å; I40-F94 HydrophobicContact CD1-CG 3.61Å; I40-F94 HydrophobicContact CD1-CZ 4.44Å |
| 41 | S | 97.4 | Very high | 90.5 | Very high | 12 Ų | 12 | 45.5 Ų | 45.5 | 8% | 0.084 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 136.5 | 173.4 | 179.9 | 0 | 0 | 0 | 0 | 110.4 | I24 S25 V74 | I24-S41 WeakPolarHBondContact CA-O 3.49Å; S25-S41 PolarHBondContact N-O 2.96Å; S25-S41 PolarHBondContact O-N 3.05Å; S41-V74 WeakPolarHBondContact CA-O 3.46Å |
| 42 | C | 97.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 131.5 | 172.5 | -173.5 | 0 | 0 | 0 | 0 | 109.4 | S23 F53 D73 V74 F76 C96 | S23-C42 WeakPolarHBondContact O-CA 3.37Å; C42-F53 HydrophobicContact CB-CD1 4.09Å; C42-F53 HydrophobicContact CB-CE1 4.49Å; C42-F53 VanDerWaalsContact SG-CD1 3.6Å; C42-D73 VanDerWaalsContact O-CA 3.24Å; C42-D73 WeakPolarHBondContact O-CA 3.11Å; C42-D73 WeakPolarHBondContact O-CB 3.12Å; C42-V74 HydrophobicContact CB-CG2 4.32Å; C42-V74 PolarHBondContact N-O 3.4Å; C42-V74 PolarHBondContact O-N 2.73Å; C42-F76 HydrophobicContact CB-CE2 3.98Å; C42-C96 HydrophobicContact CB-CB 3.81Å; C42-C96 WeakPolarHBondContact CB-SG 3.36Å; C42-C96 WeakPolarHBondContact SG-CB 3.32Å; C42-C96 CovalentContact SG-SG 2.03Å; C42-C96 PolarHBondContact SG-SG 2.58Å |
| 43 | T | 97.3 | Very high | 91.3 | Very high | 42 Ų | 42 | 43.9 Ų | 43.9 | 26% | 0.258 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 123.6 | -173.6 | -50.4 | 0 | 0 | 0 | 0 | 109.6 | P22 S23 P72 D73 | P22-T43 WeakPolarHBondContact CA-O 3.43Å; P22-T43 VanDerWaalsContact CB-O 3.28Å; P22-T43 WeakPolarHBondContact CB-O 3.47Å; S23-T43 PolarHBondContact N-O 2.85Å; S23-T43 PolarHBondContact O-N 3.27Å; S23-T43 PolarHBondContact OG-O 3.43Å; T43-P72 WeakPolarHBondContact CA-O 3.44Å; T43-P72 HydrophobicContact CG2-CG 4.24Å; T43-D73 HydrophobicContact CG2-CB 4.02Å; T43-D73 WeakPolarHBondContact OG1-CB 3.14Å |
| 44 | A | 96.3 | Very high | 91.8 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 2% | 0.017 | 25% | 0.251 | C | S | . | . | trans | -71.8 | 142.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | I48 F53 P72 Y98 | A44-I48 HydrophobicContact CB-CB 3.96Å; A44-I48 HydrophobicContact CB-CD1 4.48Å; A44-I48 HydrophobicContact CB-CG2 4.27Å; A44-F53 HydrophobicContact CB-CE1 4.09Å; A44-F53 HydrophobicContact CB-CZ 3.64Å; A44-P72 PolarHBondContact N-O 3.24Å; A44-Y98 HydrophobicContact CB-CD1 3.97Å; A44-Y98 HydrophobicContact CB-CD2 4.24Å; A44-Y98 HydrophobicContact CB-CE1 3.89Å; A44-Y98 HydrophobicContact CB-CE2 4.18Å; A44-Y98 HydrophobicContact CB-CG 4.14Å | ||
| 45 | P | 93.7 | Very high | 92.5 | Very high | 50 Ų | 50 | 39.4 Ų | 39.4 | 33% | 0.325 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -71.8 | 150 | 177.8 | 31.7 | -36.2 | 0 | 0 | 0 | 111.3 | P20 | P20-P45 HydrophobicContact CB-CG 3.76Å; P20-P45 HydrophobicContact CG-CG 3.41Å; P20-P45 VanDerWaalsContact CG-CG 3.41Å |
| 46 | G | 88.3 | Confident | 93.1 | Very high | 59 Ų | 59 | 34.9 Ų | 34.9 | 61% | 0.608 | 21% | 0.208 | S | C | * | . | S | Bend | trans | 71 | -144 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 47 | D | 85.9 | Confident | 93.4 | Very high | 153 Ų | 153 | 35 Ų | 35 | 82% | 0.818 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -106.1 | 37.2 | -173 | -56.6 | -39.9 | 0 | 0 | 0 | 112.3 | L49 | D47-L49 PolarHBondContact O-N 3.36Å; D47-L49 VanDerWaalsContact O-N 3.13Å |
| 48 | I | 87.3 | Confident | 93.2 | Very high | 44 Ų | 44 | 36.7 Ų | 36.7 | 23% | 0.226 | 23% | 0.231 | C | C | . | . | trans | -79.9 | 96.9 | 179 | -59.1 | 177.3 | 0 | 0 | 0 | 108.8 | A44 A51 P72 Y98 V100 | A44-I48 HydrophobicContact CB-CB 3.96Å; A44-I48 HydrophobicContact CB-CD1 4.48Å; A44-I48 HydrophobicContact CB-CG2 4.27Å; I48-A51 HydrophobicContact CG2-CB 3.83Å; I48-P72 VanDerWaalsContact O-CA 3.28Å; I48-P72 WeakPolarHBondContact O-CA 3.32Å; I48-P72 WeakPolarHBondContact O-CB 3.49Å; I48-Y98 HydrophobicContact CD1-CE2 3.59Å; I48-Y98 VanDerWaalsContact CD1-OH 3.26Å; I48-Y98 WeakPolarHBondContact CD1-OH 3.4Å; I48-Y98 HydrophobicContact CG2-CD2 4.25Å; I48-Y98 HydrophobicContact CG2-CE2 3.99Å; I48-V100 HydrophobicContact CG2-CG1 3.48Å; I48-V100 VanDerWaalsContact CG2-CG1 3.48Å | ||
| 49 | L | 91.2 | Very high | 92.9 | Very high | 86 Ų | 86 | 39.9 Ų | 39.9 | 45% | 0.45 | 26% | 0.264 | S | S | . | . | trans | -99.1 | 150 | -177 | -50.1 | 180 | 0 | 0 | 0 | 111.6 | D47 A51 S69 P72 | D47-L49 PolarHBondContact O-N 3.36Å; D47-L49 VanDerWaalsContact O-N 3.13Å; L49-A51 PolarHBondContact O-N 2.81Å; L49-A51 VanDerWaalsContact O-N 3.16Å; L49-S69 WeakPolarHBondContact CB-O 3.15Å; L49-S69 WeakPolarHBondContact CD1-O 3.39Å; L49-P72 HydrophobicContact CD2-CB 4.23Å | ||
| 50 | G | 89.3 | Confident | 92.7 | Very high | 22 Ų | 22 | 42.6 Ų | 42.6 | 23% | 0.227 | 28% | 0.279 | C | S | . | . | S | Bend | trans | 67 | 14.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | A67 P68 | G50-A67 WeakPolarHBondContact CA-O 3.49Å; G50-P68 PolarHBondContact N-O 2.82Å |
| 51 | A | 93.2 | Very high | 92.5 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 3% | 0.033 | 30% | 0.303 | C | S | . | . | trans | -71.3 | 159.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I48 L49 F53 A67 Y98 V100 | I48-A51 HydrophobicContact CG2-CB 3.83Å; L49-A51 PolarHBondContact O-N 2.81Å; L49-A51 VanDerWaalsContact O-N 3.16Å; A51-F53 HydrophobicContact CB-CE2 3.94Å; A51-F53 WeakPolarHBondContact O-CD2 3.26Å; A51-A67 PolarHBondContact O-N 3.35Å; A51-Y98 HydrophobicContact CB-CD2 4.09Å; A51-V100 HydrophobicContact CB-CG1 4.02Å | ||
| 52 | N | 95.3 | Very high | 92.3 | Very high | 54 Ų | 54 | 48.9 Ų | 48.9 | 29% | 0.289 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 121.1 | 176.2 | -71.6 | -20.3 | 0 | 0 | 0 | 110 | L64 Q66 Y98 G99 | N52-L64 HydrophobicContact CB-CD1 4.46Å; N52-Q66 WeakPolarHBondContact OD1-CB 3.37Å; N52-Q66 VanDerWaalsContact OD1-CG 3.26Å; N52-Q66 WeakPolarHBondContact OD1-CG 3.36Å; N52-Y98 CarbonylContact O-C 3.54Å; N52-Y98 WeakPolarHBondContact O-CA 3.24Å; N52-G99 PolarHBondContact N-O 3Å; N52-G99 VanDerWaalsContact N-O 3.09Å; N52-G99 PolarHBondContact O-N 3.45Å |
| 53 | F | 96.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 132.1 | -179 | -71.2 | -100 | 0 | 0 | 0 | 110.9 | C42 A44 A51 L64 L65 A67 P72 V74 F76 Y98 | C42-F53 HydrophobicContact CB-CD1 4.09Å; C42-F53 HydrophobicContact CB-CE1 4.49Å; C42-F53 VanDerWaalsContact SG-CD1 3.6Å; A44-F53 HydrophobicContact CB-CE1 4.09Å; A44-F53 HydrophobicContact CB-CZ 3.64Å; A51-F53 HydrophobicContact CB-CE2 3.94Å; A51-F53 WeakPolarHBondContact O-CD2 3.26Å; F53-L64 CarbonylContact O-C 3.52Å; F53-L64 WeakPolarHBondContact O-CA 3.28Å; F53-L64 WeakPolarHBondContact O-CD1 3.3Å; F53-L65 PolarHBondContact N-O 3.01Å; F53-L65 PolarHBondContact O-N 3.2Å; F53-A67 HydrophobicContact CD2-CB 4.01Å; F53-A67 HydrophobicContact CE2-CB 3.65Å; F53-P72 VanDerWaalsContact CZ-O 3.26Å; F53-P72 WeakPolarHBondContact CZ-O 3.45Å; F53-V74 HydrophobicContact CB-CG1 4.34Å; F53-V74 HydrophobicContact CB-CG2 3.48Å; F53-V74 VanDerWaalsContact CB-CG2 3.48Å; F53-V74 HydrophobicContact CD1-CG2 4.06Å; F53-V74 HydrophobicContact CD2-CG1 3.77Å; F53-V74 HydrophobicContact CD2-CG2 4.05Å; F53-V74 HydrophobicContact CE2-CG1 4.4Å; F53-V74 HydrophobicContact CG-CG1 4.2Å; F53-V74 HydrophobicContact CG-CG2 3.6Å; F53-F76 HydrophobicContact CB-CE2 4.35Å; F53-F76 HydrophobicContact CB-CZ 3.76Å; F53-Y98 HydrophobicContact CE1-CD1 4.33Å; F53-Y98 HydrophobicContact CE1-CG 4.21Å; F53-Y98 HydrophobicContact CZ-CG 4.4Å |
| 54 | T | 96.9 | Very high | 92 | Very high | 20 Ų | 20 | 54.9 Ų | 54.9 | 12% | 0.123 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 124.2 | 178.4 | -46.1 | 0 | 0 | 0 | 0 | 109.1 | F56 V61 L64 C96 Q97 | T54-F56 HydrophobicContact CG2-CD2 4.15Å; T54-F56 HydrophobicContact CG2-CE1 4.22Å; T54-F56 HydrophobicContact CG2-CE2 3.46Å; T54-F56 VanDerWaalsContact CG2-CE2 3.46Å; T54-F56 HydrophobicContact CG2-CZ 3.51Å; T54-F56 WeakPolarHBondContact O-CD2 3.09Å; T54-V61 HydrophobicContact CG2-CB 4.36Å; T54-V61 HydrophobicContact CG2-CG1 3.63Å; T54-V61 HydrophobicContact CG2-CG2 3.95Å; T54-L64 HydrophobicContact CG2-CD1 4.39Å; T54-L64 WeakPolarHBondContact OG1-CD1 3.41Å; T54-C96 WeakPolarHBondContact O-CA 3.28Å; T54-Q97 PolarHBondContact N-O 3.41Å; T54-Q97 PolarHBondContact O-N 2.8Å |
| 55 | L | 96.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 132.2 | 173.3 | -173.3 | 73.8 | 0 | 0 | 0 | 109.8 | I24 I40 V62 Q63 F76 V78 F94 | I24-L55 HydrophobicContact CD1-CD1 4.27Å; I40-L55 HydrophobicContact CD1-CD1 4.33Å; I40-L55 HydrophobicContact CD1-CD2 4.12Å; I40-L55 HydrophobicContact CG2-CD1 4.1Å; L55-V62 HydrophobicContact CD2-CB 4.43Å; L55-V62 HydrophobicContact CD2-CG1 4.47Å; L55-V62 PolarHBondContact O-N 2.88Å; L55-Q63 PolarHBondContact N-O 2.92Å; L55-F76 HydrophobicContact CB-CD1 3.84Å; L55-F76 HydrophobicContact CB-CD2 4.07Å; L55-F76 HydrophobicContact CB-CE1 3.75Å; L55-F76 HydrophobicContact CB-CE2 3.98Å; L55-F76 HydrophobicContact CB-CG 3.99Å; L55-F76 HydrophobicContact CB-CZ 3.82Å; L55-F76 HydrophobicContact CD1-CD2 4.1Å; L55-F76 HydrophobicContact CD1-CE2 4.33Å; L55-F76 HydrophobicContact CD2-CB 3.9Å; L55-F76 HydrophobicContact CD2-CD1 4.34Å; L55-F76 HydrophobicContact CD2-CD2 4.33Å; L55-F76 HydrophobicContact CD2-CG 3.94Å; L55-F76 HydrophobicContact CG-CD2 4.4Å; L55-F76 HydrophobicContact CG-CG 4.38Å; L55-V78 HydrophobicContact CD2-CG2 3.47Å; L55-V78 VanDerWaalsContact CD2-CG2 3.47Å; L55-F94 HydrophobicContact CD1-CB 4.23Å; L55-F94 HydrophobicContact CD1-CD1 4.33Å; L55-F94 HydrophobicContact CD2-CD1 3.97Å; L55-F94 HydrophobicContact CD2-CE1 4.38Å; L55-F94 HydrophobicContact CG-CD1 4.14Å |
| 56 | F | 95.1 | Very high | 92.1 | Very high | 24 Ų | 24 | 61.4 Ų | 61.4 | 11% | 0.105 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 148.8 | 179.3 | -62.1 | -99.6 | 0 | 0 | 0 | 111.5 | T54 E60 V61 F94 C95 Q97 F112 | T54-F56 HydrophobicContact CG2-CD2 4.15Å; T54-F56 HydrophobicContact CG2-CE1 4.22Å; T54-F56 HydrophobicContact CG2-CE2 3.46Å; T54-F56 VanDerWaalsContact CG2-CE2 3.46Å; T54-F56 HydrophobicContact CG2-CZ 3.51Å; T54-F56 WeakPolarHBondContact O-CD2 3.09Å; F56-E60 CarbonylContact C-O 3.42Å; F56-E60 WeakPolarHBondContact CA-O 3.09Å; F56-V61 HydrophobicContact CD1-CG2 3.92Å; F56-V61 HydrophobicContact CE1-CG2 3.44Å; F56-V61 VanDerWaalsContact CE1-CG2 3.44Å; F56-V61 HydrophobicContact CZ-CG2 4.08Å; F56-F94 VanDerWaalsContact O-CA 3.28Å; F56-F94 WeakPolarHBondContact O-CA 3.18Å; F56-C95 PolarHBondContact N-O 2.92Å; F56-C95 PolarHBondContact O-N 3.49Å; F56-C95 VanDerWaalsContact O-N 3.14Å; F56-Q97 HydrophobicContact CE2-CB 3.91Å; F56-F112 HydrophobicContact CD1-CE1 4.41Å; F56-F112 HydrophobicContact CD2-CD1 4.3Å; F56-F112 AromaticContact CD2-CE1 3.66Å; F56-F112 HydrophobicContact CD2-CE1 3.66Å; F56-F112 HydrophobicContact CE1-CE1 4.33Å; F56-F112 HydrophobicContact CE2-CD1 4.42Å; F56-F112 AromaticContact CE2-CE1 3.58Å; F56-F112 HydrophobicContact CE2-CE1 3.58Å; F56-F112 HydrophobicContact CE2-CZ 4.43Å; F56-F112 HydrophobicContact CG-CE1 4.09Å; F56-F112 AromaticContact CZ-CE1 3.92Å; F56-F112 HydrophobicContact CZ-CE1 3.92Å; F56-F112 HydrophobicContact CZ-CZ 4.35Å |
| 57 | R | 91.9 | Very high | 92.4 | Very high | 48 Ų | 48 | 58.8 Ų | 58.8 | 18% | 0.181 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 121.1 | 172.7 | -176 | -176.3 | -166 | -164.9 | -4.3 | 108.6 | G59 E60 V62 A89 A90 G91 F94 | R57-G59 PolarHBondContact O-N 3.43Å; R57-E60 PolarHBondContact N-O 3.27Å; R57-E60 PolarHBondContact O-N 3.39Å; R57-V62 HydrophobicContact CB-CG2 3.33Å; R57-A89 PolarHBondContact NH2-O 3.45Å; R57-A90 PolarHBondContact NH2-O 2.7Å; R57-A90 VanDerWaalsContact NH2-O 3.09Å; R57-G91 PolarHBondContact NH2-O 2.9Å; R57-F94 HydrophobicContact CB-CD1 4.01Å; R57-F94 HydrophobicContact CB-CE1 3.91Å; R57-F94 HydrophobicContact CG-CD1 4.31Å; R57-F94 HydrophobicContact CG-CE1 3.94Å; R57-F94 HydrophobicContact CG-CZ 4.18Å |
| 58 | G | 84.4 | Confident | 92.8 | Very high | 82 Ų | 82 | 54.3 Ų | 54.3 | 85% | 0.845 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 21.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 59 | G | 85.8 | Confident | 93.1 | Very high | 66 Ų | 66 | 57 Ų | 57 | 68% | 0.68 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88 | -6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | R57 | R57-G59 PolarHBondContact O-N 3.43Š|
| 60 | E | 90.5 | Very high | 93.1 | Very high | 126 Ų | 126 | 58.3 Ų | 58.3 | 59% | 0.589 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 145 | 173.7 | -163.5 | -178.6 | -176.1 | 0 | 0 | 111 | F56 R57 V62 | F56-E60 CarbonylContact C-O 3.42Å; F56-E60 WeakPolarHBondContact CA-O 3.09Å; R57-E60 PolarHBondContact N-O 3.27Å; R57-E60 PolarHBondContact O-N 3.39Å; E60-V62 PolarHBondContact O-N 3.35Å |
| 61 | V | 92.6 | Very high | 93.3 | Very high | 83 Ų | 83 | 63.8 Ų | 63.8 | 50% | 0.503 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 120.4 | 174.7 | 176.7 | 0 | 0 | 0 | 0 | 109.4 | T54 F56 | T54-V61 HydrophobicContact CG2-CB 4.36Å; T54-V61 HydrophobicContact CG2-CG1 3.63Å; T54-V61 HydrophobicContact CG2-CG2 3.95Å; F56-V61 HydrophobicContact CD1-CG2 3.92Å; F56-V61 HydrophobicContact CE1-CG2 3.44Å; F56-V61 VanDerWaalsContact CE1-CG2 3.44Å; F56-V61 HydrophobicContact CZ-CG2 4.08Å |
| 62 | V | 92.1 | Very high | 93.4 | Very high | 61 Ų | 61 | 65.1 Ų | 65.1 | 37% | 0.37 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -48.5 | 177.8 | -179.3 | 0 | 0 | 0 | 0 | 111.1 | L55 R57 E60 V78 | L55-V62 HydrophobicContact CD2-CB 4.43Å; L55-V62 HydrophobicContact CD2-CG1 4.47Å; L55-V62 PolarHBondContact O-N 2.88Å; R57-V62 HydrophobicContact CB-CG2 3.33Å; E60-V62 PolarHBondContact O-N 3.35Å; V62-V78 HydrophobicContact CG1-CG1 4.2Å; V62-V78 HydrophobicContact CG1-CG2 4.39Å |
| 63 | Q | 94.5 | Very high | 93.4 | Very high | 63 Ų | 63 | 64.7 Ų | 64.7 | 29% | 0.294 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 141.6 | -175.2 | -167.9 | 168.6 | 54.1 | 0 | 0 | 110.6 | L55 L65 F76 | L55-Q63 PolarHBondContact N-O 2.92Å; Q63-L65 HydrophobicContact CG-CD2 4.28Å; Q63-L65 HydrophobicContact CG-CG 4.17Å; Q63-F76 HydrophobicContact CB-CD1 3.86Å; Q63-F76 HydrophobicContact CB-CE1 4.26Å; Q63-F76 HydrophobicContact CG-CD1 3.94Å; Q63-F76 HydrophobicContact CG-CE1 4.39Å; Q63-F76 WeakPolarHBondContact O-CE1 3.37Å |
| 64 | L | 95.4 | Very high | 93.4 | Very high | 106 Ų | 106 | 65.2 Ų | 65.2 | 56% | 0.555 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 127.1 | 172.9 | 180 | 78.2 | 0 | 0 | 0 | 108.3 | N52 F53 T54 | N52-L64 HydrophobicContact CB-CD1 4.46Å; F53-L64 CarbonylContact O-C 3.52Å; F53-L64 WeakPolarHBondContact O-CA 3.28Å; F53-L64 WeakPolarHBondContact O-CD1 3.3Å; T54-L64 HydrophobicContact CG2-CD1 4.39Å; T54-L64 WeakPolarHBondContact OG1-CD1 3.41Å |
| 65 | L | 96.4 | Very high | 93.4 | Very high | 54 Ų | 54 | 67.4 Ų | 67.4 | 28% | 0.283 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 141.2 | 177.1 | -65.4 | 179.8 | 0 | 0 | 0 | 110.1 | F53 Q63 V74 F76 | F53-L65 PolarHBondContact N-O 3.01Å; F53-L65 PolarHBondContact O-N 3.2Å; Q63-L65 HydrophobicContact CG-CD2 4.28Å; Q63-L65 HydrophobicContact CG-CG 4.17Å; L65-V74 HydrophobicContact CB-CB 4.3Å; L65-V74 HydrophobicContact CB-CG1 4.14Å; L65-V74 HydrophobicContact CD1-CB 4.46Å; L65-F76 HydrophobicContact CB-CD1 4.44Å; L65-F76 HydrophobicContact CB-CE1 3.93Å; L65-F76 HydrophobicContact CD1-CB 4.49Å; L65-F76 HydrophobicContact CD1-CD1 3.43Å; L65-F76 VanDerWaalsContact CD1-CD1 3.43Å; L65-F76 HydrophobicContact CD1-CE1 3.79Å; L65-F76 HydrophobicContact CD1-CG 4.03Å; L65-F76 HydrophobicContact CG-CD1 3.75Å; L65-F76 HydrophobicContact CG-CE1 3.68Å |
| 66 | Q | 95.3 | Very high | 93.4 | Very high | 134 Ų | 134 | 67.4 Ų | 67.4 | 63% | 0.626 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 130.6 | 170.3 | -176.2 | 173.1 | -22 | 0 | 0 | 109.1 | N52 | N52-Q66 WeakPolarHBondContact OD1-CB 3.37Å; N52-Q66 VanDerWaalsContact OD1-CG 3.26Å; N52-Q66 WeakPolarHBondContact OD1-CG 3.36Å |
| 67 | A | 95 | Very high | 93.3 | Very high | 4 Ų | 4 | 69.8 Ų | 69.8 | 3% | 0.033 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 149.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | G50 A51 F53 V74 | G50-A67 WeakPolarHBondContact CA-O 3.49Å; A51-A67 PolarHBondContact O-N 3.35Å; F53-A67 HydrophobicContact CD2-CB 4.01Å; F53-A67 HydrophobicContact CE2-CB 3.65Å; A67-V74 HydrophobicContact CB-CG1 3.84Å |
| 68 | P | 94.2 | Very high | 93.2 | Very high | 60 Ų | 60 | 68 Ų | 68 | 39% | 0.39 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 152.9 | 167.4 | -23.7 | 34.8 | 0 | 0 | 0 | 111.8 | G50 D70 R71 | G50-P68 PolarHBondContact N-O 2.82Å; P68-D70 WeakPolarHBondContact CB-OD1 3.45Å; P68-D70 PolarHBondContact O-N 2.71Å; P68-D70 VanDerWaalsContact O-N 3.16Å; P68-R71 HydrophobicContact CB-CB 4.36Å; P68-R71 HydrophobicContact CG-CB 4.47Å; P68-R71 PolarHBondContact O-N 2.77Å |
| 69 | S | 92.3 | Very high | 92.9 | Very high | 101 Ų | 101 | 68.9 Ų | 68.9 | 71% | 0.706 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -13.7 | 179.5 | -53.1 | 0 | 0 | 0 | 0 | 113.8 | L49 | L49-S69 WeakPolarHBondContact CB-O 3.15Å; L49-S69 WeakPolarHBondContact CD1-O 3.39Å |
| 70 | D | 92.1 | Very high | 91.7 | Very high | 112 Ų | 112 | 66.8 Ų | 66.8 | 60% | 0.599 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | -1.7 | -178.5 | 66.1 | -47.7 | 0 | 0 | 0 | 113.4 | P68 | P68-D70 WeakPolarHBondContact CB-OD1 3.45Å; P68-D70 PolarHBondContact O-N 2.71Å; P68-D70 VanDerWaalsContact O-N 3.16Å |
| 71 | R | 92.8 | Very high | 89.9 | Confident | 138 Ų | 138 | 63.8 Ų | 63.8 | 52% | 0.521 | 37% | 0.369 | S | S | . | . | trans | -137 | 146.3 | -175.3 | -61.7 | -173.2 | -174.4 | -167.7 | -2.6 | 113.1 | P68 D73 | P68-R71 HydrophobicContact CB-CB 4.36Å; P68-R71 HydrophobicContact CG-CB 4.47Å; P68-R71 PolarHBondContact O-N 2.77Å; R71-D73 VanDerWaalsContact C-N 3.33Å | ||
| 72 | P | 94.8 | Very high | 87.9 | Confident | 31 Ų | 31 | 62.9 Ų | 62.9 | 20% | 0.201 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -92.4 | 14.1 | 178 | 38.1 | -35.7 | 0 | 0 | 0 | 113.4 | T43 A44 I48 L49 F53 | T43-P72 WeakPolarHBondContact CA-O 3.44Å; T43-P72 HydrophobicContact CG2-CG 4.24Å; A44-P72 PolarHBondContact N-O 3.24Å; I48-P72 VanDerWaalsContact O-CA 3.28Å; I48-P72 WeakPolarHBondContact O-CA 3.32Å; I48-P72 WeakPolarHBondContact O-CB 3.49Å; L49-P72 HydrophobicContact CD2-CB 4.23Å; F53-P72 VanDerWaalsContact CZ-O 3.26Å; F53-P72 WeakPolarHBondContact CZ-O 3.45Å |
| 73 | D | 96.1 | Very high | 85.6 | Confident | 46 Ų | 46 | 65.1 Ų | 65.1 | 25% | 0.246 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 155.7 | -173.5 | 70.2 | -71.5 | 0 | 0 | 0 | 113.9 | C42 T43 R71 | C42-D73 VanDerWaalsContact O-CA 3.24Å; C42-D73 WeakPolarHBondContact O-CA 3.11Å; C42-D73 WeakPolarHBondContact O-CB 3.12Å; T43-D73 HydrophobicContact CG2-CB 4.02Å; T43-D73 WeakPolarHBondContact OG1-CB 3.14Å; R71-D73 VanDerWaalsContact C-N 3.33Å |
| 74 | V | 97.3 | Very high | 83.1 | Confident | 10 Ų | 10 | 65.5 Ų | 65.5 | 6% | 0.061 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 154.4 | 169 | -64.3 | 0 | 0 | 0 | 0 | 109.9 | S41 C42 F53 L65 A67 F76 | S41-V74 WeakPolarHBondContact CA-O 3.46Å; C42-V74 HydrophobicContact CB-CG2 4.32Å; C42-V74 PolarHBondContact N-O 3.4Å; C42-V74 PolarHBondContact O-N 2.73Å; F53-V74 HydrophobicContact CB-CG1 4.34Å; F53-V74 HydrophobicContact CB-CG2 3.48Å; F53-V74 VanDerWaalsContact CB-CG2 3.48Å; F53-V74 HydrophobicContact CD1-CG2 4.06Å; F53-V74 HydrophobicContact CD2-CG1 3.77Å; F53-V74 HydrophobicContact CD2-CG2 4.05Å; F53-V74 HydrophobicContact CE2-CG1 4.4Å; F53-V74 HydrophobicContact CG-CG1 4.2Å; F53-V74 HydrophobicContact CG-CG2 3.6Å; L65-V74 HydrophobicContact CB-CB 4.3Å; L65-V74 HydrophobicContact CB-CG1 4.14Å; L65-V74 HydrophobicContact CD1-CB 4.46Å; A67-V74 HydrophobicContact CB-CG1 3.84Å; V74-F76 HydrophobicContact CG2-CD2 4.07Å; V74-F76 HydrophobicContact CG2-CE1 4.43Å; V74-F76 HydrophobicContact CG2-CE2 3.43Å; V74-F76 VanDerWaalsContact CG2-CE2 3.43Å; V74-F76 HydrophobicContact CG2-CZ 3.65Å |
| 75 | T | 97.3 | Very high | 80.5 | Confident | 67 Ų | 67 | 64.7 Ų | 64.7 | 41% | 0.411 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 116 | 167.3 | -59.2 | 0 | 0 | 0 | 0 | 109.1 | V27 Y39 I40 | V27-T75 HydrophobicContact CG2-CG2 3.92Å; Y39-T75 HydrophobicContact CD1-CG2 4.19Å; I40-T75 CarbonylContact O-C 3.59Å; I40-T75 WeakPolarHBondContact O-CA 3.47Å |
| 76 | F | 95.8 | Very high | 77.9 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 142.9 | 173.6 | -61.6 | -83.9 | 0 | 0 | 0 | 110.1 | Y39 I40 C42 F53 L55 Q63 L65 V74 V78 | Y39-F76 WeakPolarHBondContact CA-O 3.46Å; I40-F76 HydrophobicContact CB-CB 4.48Å; I40-F76 PolarHBondContact N-O 3.12Å; I40-F76 VanDerWaalsContact N-O 3.11Å; I40-F76 PolarHBondContact O-N 3.13Å; C42-F76 HydrophobicContact CB-CE2 3.98Å; F53-F76 HydrophobicContact CB-CE2 4.35Å; F53-F76 HydrophobicContact CB-CZ 3.76Å; L55-F76 HydrophobicContact CB-CD1 3.84Å; L55-F76 HydrophobicContact CB-CD2 4.07Å; L55-F76 HydrophobicContact CB-CE1 3.75Å; L55-F76 HydrophobicContact CB-CE2 3.98Å; L55-F76 HydrophobicContact CB-CG 3.99Å; L55-F76 HydrophobicContact CB-CZ 3.82Å; L55-F76 HydrophobicContact CD1-CD2 4.1Å; L55-F76 HydrophobicContact CD1-CE2 4.33Å; L55-F76 HydrophobicContact CD2-CB 3.9Å; L55-F76 HydrophobicContact CD2-CD1 4.34Å; L55-F76 HydrophobicContact CD2-CD2 4.33Å; L55-F76 HydrophobicContact CD2-CG 3.94Å; L55-F76 HydrophobicContact CG-CD2 4.4Å; L55-F76 HydrophobicContact CG-CG 4.38Å; Q63-F76 HydrophobicContact CB-CD1 3.86Å; Q63-F76 HydrophobicContact CB-CE1 4.26Å; Q63-F76 HydrophobicContact CG-CD1 3.94Å; Q63-F76 HydrophobicContact CG-CE1 4.39Å; Q63-F76 WeakPolarHBondContact O-CE1 3.37Å; L65-F76 HydrophobicContact CB-CD1 4.44Å; L65-F76 HydrophobicContact CB-CE1 3.93Å; L65-F76 HydrophobicContact CD1-CB 4.49Å; L65-F76 HydrophobicContact CD1-CD1 3.43Å; L65-F76 VanDerWaalsContact CD1-CD1 3.43Å; L65-F76 HydrophobicContact CD1-CE1 3.79Å; L65-F76 HydrophobicContact CD1-CG 4.03Å; L65-F76 HydrophobicContact CG-CD1 3.75Å; L65-F76 HydrophobicContact CG-CE1 3.68Å; V74-F76 HydrophobicContact CG2-CD2 4.07Å; V74-F76 HydrophobicContact CG2-CE1 4.43Å; V74-F76 HydrophobicContact CG2-CE2 3.43Å; V74-F76 VanDerWaalsContact CG2-CE2 3.43Å; V74-F76 HydrophobicContact CG2-CZ 3.65Å; F76-V78 HydrophobicContact CB-CG2 4.44Å |
| 77 | N | 93.4 | Very high | 75.7 | Confident | 74 Ų | 74 | 63.2 Ų | 63.2 | 40% | 0.396 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 102.5 | 171.3 | -178.9 | -4.6 | 0 | 0 | 0 | 108 | Y39 | Y39-N77 HydrophobicContact CD1-CB 4.33Å; Y39-N77 HydrophobicContact CE1-CB 4.13Å |
| 78 | V | 89 | Confident | 73.8 | Confident | 10 Ų | 10 | 71 Ų | 71 | 6% | 0.061 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 108.6 | 179 | -171.6 | 0 | 0 | 0 | 0 | 107.5 | I38 I40 L55 V62 F76 F94 | I38-V78 HydrophobicContact CB-CB 4.33Å; I38-V78 PolarHBondContact N-O 2.99Å; I38-V78 PolarHBondContact O-N 3.34Å; I40-V78 HydrophobicContact CD1-CG2 4.35Å; L55-V78 HydrophobicContact CD2-CG2 3.47Å; L55-V78 VanDerWaalsContact CD2-CG2 3.47Å; V62-V78 HydrophobicContact CG1-CG1 4.2Å; V62-V78 HydrophobicContact CG1-CG2 4.39Å; F76-V78 HydrophobicContact CB-CG2 4.44Å; V78-F94 HydrophobicContact CG1-CE1 4.28Å; V78-F94 HydrophobicContact CG1-CZ 4.42Å; V78-F94 HydrophobicContact CG2-CE1 4.44Å |
| 79 | T | 79.1 | Confident | 72 | Confident | 101 Ų | 101 | 71.2 Ų | 71.2 | 62% | 0.62 | 51% | 0.509 | S | S | * | . | trans | -75.4 | 138.2 | 166.2 | 33.4 | 0 | 0 | 0 | 0 | 108.9 | G81 | T79-G81 PolarHBondContact O-N 3.14Š| ||
| 80 | G | 61 | Low | 70.7 | Confident | 21 Ų | 21 | 66.6 Ų | 66.6 | 22% | 0.216 | 48% | 0.477 | C | S | . | . | S | Bend | trans | -65.9 | 19.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 117 | H34 A90 | H34-G80 WeakPolarHBondContact O-CA 3.48Å; G80-A90 WeakPolarHBondContact O-CB 3.23Å |
| 81 | G | 52.7 | Low | 69.9 | Low | 63 Ų | 63 | 62 Ų | 62 | 65% | 0.649 | 46% | 0.456 | S | S | * | . | trans | -90.1 | 111.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | T79 | T79-G81 PolarHBondContact O-N 3.14Š| ||
| 82 | G | 49.2 | Very low | 69.6 | Low | 64 Ų | 64 | 56.4 Ų | 56.4 | 66% | 0.66 | 44% | 0.442 | S | S | * | . | trans | -57.5 | 140.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 83 | S | 45.3 | Very low | 69.5 | Low | 109 Ų | 109 | 58.4 Ų | 58.4 | 76% | 0.762 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -100 | 110.3 | 155.2 | -169.8 | 0 | 0 | 0 | 0 | 106.7 | ||
| 84 | G | 40.6 | Very low | 69.4 | Low | 71 Ų | 71 | 56.2 Ų | 56.2 | 73% | 0.732 | 44% | 0.439 | S | S | * | . | S | Bend | trans | 101.1 | 96.3 | 168 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 85 | G | 41.7 | Very low | 69.4 | Low | 88 Ų | 88 | 56.9 Ų | 56.9 | 91% | 0.907 | 44% | 0.444 | S | S | * | . | S | Bend | trans | 28.6 | 99.1 | 149.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||
| 86 | G | 42 | Very low | 69.4 | Low | 68 Ų | 68 | 53.7 Ų | 53.7 | 70% | 0.701 | 42% | 0.424 | S | S | * | . | S | Bend | trans | 113.5 | 89.3 | 152.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | E88 | G86-E88 VanDerWaalsContact C-N 3.27Å; G86-E88 PolarHBondContact O-N 2.87Å |
| 87 | G | 48.8 | Very low | 69.4 | Low | 90 Ų | 90 | 54.7 Ų | 54.7 | 93% | 0.928 | 43% | 0.429 | S | S | * | . | trans | 68.3 | 0.4 | 148.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | A89 | G87-A89 PolarHBondContact O-N 2.88Š| ||
| 88 | E | 53.9 | Low | 69.5 | Low | 166 Ų | 166 | 51.2 Ų | 51.2 | 78% | 0.776 | 41% | 0.41 | S | S | * | . | trans | -79.3 | 104 | 173 | -96.5 | 170.6 | 120.3 | 0 | 0 | 110.4 | G86 | G86-E88 VanDerWaalsContact C-N 3.27Å; G86-E88 PolarHBondContact O-N 2.87Å | ||
| 89 | A | 56.9 | Low | 69.7 | Low | 65 Ų | 65 | 51.2 Ų | 51.2 | 54% | 0.537 | 41% | 0.412 | S | S | . | . | trans | -46.9 | 148.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110 | R57 G87 G91 | R57-A89 PolarHBondContact NH2-O 3.45Å; G87-A89 PolarHBondContact O-N 2.88Å; A89-G91 PolarHBondContact O-N 3.07Å | ||
| 90 | A | 64.4 | Low | 70.2 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 3% | 0.033 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -48.8 | -13.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | H34 I38 R57 G80 F120 | H34-A90 HydrophobicContact CB-CB 3.81Å; H34-A90 VanDerWaalsContact O-CB 3.32Å; H34-A90 WeakPolarHBondContact O-CB 3.42Å; I38-A90 WeakPolarHBondContact CD1-O 2.96Å; R57-A90 PolarHBondContact NH2-O 2.7Å; R57-A90 VanDerWaalsContact NH2-O 3.09Å; G80-A90 WeakPolarHBondContact O-CB 3.23Å; A90-F120 HydrophobicContact CB-CE2 3.77Å; A90-F120 HydrophobicContact CB-CZ 3.57Å |
| 91 | G | 75.6 | Confident | 71.3 | Confident | 16 Ų | 16 | 53.5 Ų | 53.5 | 17% | 0.165 | 41% | 0.414 | C | S | . | . | trans | -86.3 | 168 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R57 A89 V118 | R57-G91 PolarHBondContact NH2-O 2.9Å; A89-G91 PolarHBondContact O-N 3.07Å; G91-V118 CarbonylContact C-O 3.48Å; G91-V118 WeakPolarHBondContact CA-O 3.26Å | ||
| 92 | G | 87.4 | Confident | 72.6 | Confident | 21 Ų | 21 | 51.3 Ų | 51.3 | 22% | 0.216 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 156.6 | -174.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112 | F94 Q117 V118 | G92-F94 WeakPolarHBondContact O-CD2 3.38Å; G92-Q117 WeakPolarHBondContact O-CA 3.46Å; G92-V118 PolarHBondContact N-O 3.31Å; G92-V118 PolarHBondContact O-N 3.09Å |
| 93 | N | 91.9 | Very high | 73.9 | Confident | 72 Ų | 72 | 57 Ų | 57 | 39% | 0.385 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 124 | 178.5 | -63.3 | -7.9 | 0 | 0 | 0 | 109.2 | Q115 V116 | N93-Q115 PolarHBondContact ND2-OE1 2.85Å; N93-V116 WeakPolarHBondContact CA-O 3.17Å |
| 94 | F | 94.7 | Very high | 75.5 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 141.5 | 176.3 | -63.1 | -95.5 | 0 | 0 | 0 | 109.9 | I24 I40 L55 F56 R57 V78 G92 Q115 V116 V118 | I24-F94 HydrophobicContact CD1-CB 4.44Å; I40-F94 HydrophobicContact CD1-CB 3.99Å; I40-F94 HydrophobicContact CD1-CD1 3.77Å; I40-F94 HydrophobicContact CD1-CD2 3.91Å; I40-F94 HydrophobicContact CD1-CE1 4.18Å; I40-F94 HydrophobicContact CD1-CE2 4.32Å; I40-F94 HydrophobicContact CD1-CG 3.61Å; I40-F94 HydrophobicContact CD1-CZ 4.44Å; L55-F94 HydrophobicContact CD1-CB 4.23Å; L55-F94 HydrophobicContact CD1-CD1 4.33Å; L55-F94 HydrophobicContact CD2-CD1 3.97Å; L55-F94 HydrophobicContact CD2-CE1 4.38Å; L55-F94 HydrophobicContact CG-CD1 4.14Å; F56-F94 VanDerWaalsContact O-CA 3.28Å; F56-F94 WeakPolarHBondContact O-CA 3.18Å; R57-F94 HydrophobicContact CB-CD1 4.01Å; R57-F94 HydrophobicContact CB-CE1 3.91Å; R57-F94 HydrophobicContact CG-CD1 4.31Å; R57-F94 HydrophobicContact CG-CE1 3.94Å; R57-F94 HydrophobicContact CG-CZ 4.18Å; V78-F94 HydrophobicContact CG1-CE1 4.28Å; V78-F94 HydrophobicContact CG1-CZ 4.42Å; V78-F94 HydrophobicContact CG2-CE1 4.44Å; G92-F94 WeakPolarHBondContact O-CD2 3.38Å; F94-Q115 CarbonylContact O-C 3.57Å; F94-Q115 WeakPolarHBondContact O-CA 3.49Å; F94-V116 HydrophobicContact CB-CG1 3.86Å; F94-V116 PolarHBondContact N-O 2.84Å; F94-V116 PolarHBondContact O-N 3Å; F94-V118 HydrophobicContact CD2-CB 4.45Å; F94-V118 HydrophobicContact CD2-CG2 3.74Å; F94-V118 HydrophobicContact CE2-CB 4.06Å; F94-V118 HydrophobicContact CE2-CG2 3.69Å |
| 95 | C | 96.8 | Very high | 77.4 | Confident | 24 Ų | 24 | 61.1 Ų | 61.1 | 16% | 0.162 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 162.3 | 166.2 | 60.1 | 0 | 0 | 0 | 0 | 109.4 | F56 Q115 | F56-C95 PolarHBondContact N-O 2.92Å; F56-C95 PolarHBondContact O-N 3.49Å; F56-C95 VanDerWaalsContact O-N 3.14Å; C95-Q115 HydrophobicContact CB-CG 4.42Å |
| 96 | C | 96.8 | Very high | 79.3 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 148.3 | -175 | 175 | 0 | 0 | 0 | 0 | 110 | I24 C42 T54 S113 | I24-C96 HydrophobicContact CD1-CB 3.95Å; C42-C96 HydrophobicContact CB-CB 3.81Å; C42-C96 WeakPolarHBondContact CB-SG 3.36Å; C42-C96 WeakPolarHBondContact SG-CB 3.32Å; C42-C96 CovalentContact SG-SG 2.03Å; C42-C96 PolarHBondContact SG-SG 2.58Å; T54-C96 WeakPolarHBondContact O-CA 3.28Å; C96-S113 PolarHBondContact N-OG 2.94Å; C96-S113 WeakPolarHBondContact O-CB 3.09Å; C96-S113 PolarHBondContact O-N 2.94Å; C96-S113 PolarHBondContact O-OG 2.84Å |
| 97 | Q | 96.6 | Very high | 81.3 | Confident | 22 Ų | 22 | 63.9 Ų | 63.9 | 10% | 0.103 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 138.9 | 172.7 | -172.2 | 178.4 | 67.2 | 0 | 0 | 108.5 | T54 F56 S110 F112 | T54-Q97 PolarHBondContact N-O 3.41Å; T54-Q97 PolarHBondContact O-N 2.8Å; F56-Q97 HydrophobicContact CE2-CB 3.91Å; Q97-S110 VanDerWaalsContact CD-O 3.28Å; Q97-S110 VanDerWaalsContact CG-O 3.24Å; Q97-S110 WeakPolarHBondContact CG-O 3.16Å; Q97-S110 WeakPolarHBondContact CG-OG 3.01Å; Q97-S110 PolarHBondContact NE2-O 3.06Å; Q97-F112 HydrophobicContact CB-CD1 3.97Å; Q97-F112 HydrophobicContact CB-CE1 4.07Å |
| 98 | Y | 95.3 | Very high | 83.2 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 153.5 | 170.3 | 72 | -83 | 0 | 0 | 0 | 112.1 | I19 P20 P22 A44 I48 A51 N52 F53 V100 S110 | I19-Y98 HydrophobicContact CG2-CE1 4.45Å; I19-Y98 HydrophobicContact CG2-CE2 3.66Å; I19-Y98 VanDerWaalsContact CG2-CZ 3.5Å; I19-Y98 WeakPolarHBondContact CG2-OH 3.11Å; P20-Y98 WeakPolarHBondContact O-CE1 3.39Å; P20-Y98 PolarHBondContact O-OH 2.74Å; P22-Y98 HydrophobicContact CB-CD1 3.75Å; P22-Y98 HydrophobicContact CB-CE1 4.02Å; P22-Y98 HydrophobicContact CG-CD1 3.76Å; P22-Y98 HydrophobicContact CG-CE1 4.19Å; A44-Y98 HydrophobicContact CB-CD1 3.97Å; A44-Y98 HydrophobicContact CB-CD2 4.24Å; A44-Y98 HydrophobicContact CB-CE1 3.89Å; A44-Y98 HydrophobicContact CB-CE2 4.18Å; A44-Y98 HydrophobicContact CB-CG 4.14Å; I48-Y98 HydrophobicContact CD1-CE2 3.59Å; I48-Y98 VanDerWaalsContact CD1-OH 3.26Å; I48-Y98 WeakPolarHBondContact CD1-OH 3.4Å; I48-Y98 HydrophobicContact CG2-CD2 4.25Å; I48-Y98 HydrophobicContact CG2-CE2 3.99Å; A51-Y98 HydrophobicContact CB-CD2 4.09Å; N52-Y98 CarbonylContact O-C 3.54Å; N52-Y98 WeakPolarHBondContact O-CA 3.24Å; F53-Y98 HydrophobicContact CE1-CD1 4.33Å; F53-Y98 HydrophobicContact CE1-CG 4.21Å; F53-Y98 HydrophobicContact CZ-CG 4.4Å; Y98-V100 HydrophobicContact CD2-CG1 4.02Å; Y98-V100 HydrophobicContact CE2-CG1 4Å; Y98-S110 WeakPolarHBondContact CD1-OG 3.35Å; Y98-S110 WeakPolarHBondContact CE1-OG 3.4Å; Y98-S110 PolarHBondContact N-OG 2.82Å; Y98-S110 WeakPolarHBondContact O-CB 3.42Å; Y98-S110 PolarHBondContact O-N 2.85Å; Y98-S110 PolarHBondContact O-OG 2.83Å |
| 99 | G | 92.9 | Very high | 85.1 | Confident | 10 Ų | 10 | 60.7 Ų | 60.7 | 10% | 0.103 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 137.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | N52 Q108 | N52-G99 PolarHBondContact N-O 3Å; N52-G99 VanDerWaalsContact N-O 3.09Å; N52-G99 PolarHBondContact O-N 3.45Å; G99-Q108 VanDerWaalsContact CA-O 3.27Å; G99-Q108 WeakPolarHBondContact CA-O 3.45Å |
| 100 | V | 89.1 | Confident | 86.9 | Confident | 41 Ų | 41 | 57.8 Ų | 57.8 | 25% | 0.248 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 150.7 | 171.5 | -65 | 0 | 0 | 0 | 0 | 109.3 | I19 I48 A51 Y98 G102 Q108 | I19-V100 HydrophobicContact CD1-CG2 3.75Å; I48-V100 HydrophobicContact CG2-CG1 3.48Å; I48-V100 VanDerWaalsContact CG2-CG1 3.48Å; A51-V100 HydrophobicContact CB-CG1 4.02Å; Y98-V100 HydrophobicContact CD2-CG1 4.02Å; Y98-V100 HydrophobicContact CE2-CG1 4Å; V100-G102 PolarHBondContact O-N 3.19Å; V100-Q108 HydrophobicContact CG2-CB 4.48Å; V100-Q108 PolarHBondContact N-O 3.47Å; V100-Q108 PolarHBondContact O-N 2.83Å |
| 101 | M | 85.6 | Confident | 88.3 | Confident | 129 Ų | 129 | 62.2 Ų | 62.2 | 64% | 0.635 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77 | 117.7 | 171.8 | -68.9 | -63.5 | 165 | 0 | 0 | 108.8 | P107 | M101-P107 HydrophobicContact CE-CB 4.32Å; M101-P107 HydrophobicContact SD-CB 4.36Å |
| 102 | G | 79.9 | Confident | 89.2 | Confident | 17 Ų | 17 | 66.5 Ų | 66.5 | 18% | 0.175 | 36% | 0.356 | C | S | . | . | trans | -79.3 | -179.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | V100 H104 S105 Q106 | V100-G102 PolarHBondContact O-N 3.19Å; G102-H104 PolarHBondContact O-N 3.42Å; G102-H104 VanDerWaalsContact O-N 3.09Å; G102-S105 PolarHBondContact O-N 3.29Å; G102-Q106 PolarHBondContact N-O 2.78Å | ||
| 103 | E | 76.2 | Confident | 89.7 | Confident | 185 Ų | 185 | 66 Ų | 66 | 86% | 0.864 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -28.5 | -176.2 | -58.8 | -174.8 | 142.9 | 0 | 0 | 114.1 | ||
| 104 | H | 78.2 | Confident | 89.9 | Confident | 160 Ų | 160 | 70.6 Ų | 70.6 | 74% | 0.741 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 17.6 | 179.7 | -63.3 | -60.5 | 0 | 0 | 0 | 114.2 | G102 Q106 | G102-H104 PolarHBondContact O-N 3.42Å; G102-H104 VanDerWaalsContact O-N 3.09Å; H104-Q106 PolarHBondContact O-N 2.97Å; H104-Q106 VanDerWaalsContact O-N 3.07Å |
| 105 | S | 80.4 | Confident | 89.9 | Confident | 105 Ų | 105 | 77.2 Ų | 77.2 | 73% | 0.734 | 40% | 0.399 | S | S | * | . | S | Bend | trans | 55.8 | 21.9 | -171.4 | -57.2 | 0 | 0 | 0 | 0 | 113.4 | G102 | G102-S105 PolarHBondContact O-N 3.29Š|
| 106 | Q | 82.3 | Confident | 89.8 | Confident | 135 Ų | 135 | 77.2 Ų | 77.2 | 63% | 0.631 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -98 | 133.4 | 175.7 | -165.4 | 169.4 | 13 | 0 | 0 | 108.4 | G102 H104 Q108 | G102-Q106 PolarHBondContact N-O 2.78Å; H104-Q106 PolarHBondContact O-N 2.97Å; H104-Q106 VanDerWaalsContact O-N 3.07Å; Q106-Q108 PolarHBondContact O-N 2.92Å |
| 107 | P | 83.7 | Confident | 89.6 | Confident | 80 Ų | 80 | 83.9 Ų | 83.9 | 52% | 0.519 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 119.4 | 175.1 | 24.5 | -31.9 | 0 | 0 | 0 | 109.2 | M101 | M101-P107 HydrophobicContact CE-CB 4.32Å; M101-P107 HydrophobicContact SD-CB 4.36Å |
| 108 | Q | 89.4 | Confident | 89.3 | Confident | 86 Ų | 86 | 83.1 Ų | 83.1 | 40% | 0.402 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 128.8 | 169.5 | -61.8 | -166.2 | 30.5 | 0 | 0 | 108.6 | I19 G99 V100 Q106 | I19-Q108 HydrophobicContact CD1-CB 3.38Å; G99-Q108 VanDerWaalsContact CA-O 3.27Å; G99-Q108 WeakPolarHBondContact CA-O 3.45Å; V100-Q108 HydrophobicContact CG2-CB 4.48Å; V100-Q108 PolarHBondContact N-O 3.47Å; V100-Q108 PolarHBondContact O-N 2.83Å; Q106-Q108 PolarHBondContact O-N 2.92Å |
| 109 | L | 92.3 | Very high | 88.9 | Confident | 103 Ų | 103 | 87.4 Ų | 87.4 | 54% | 0.539 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 141.5 | -177.2 | -62.3 | 175 | 0 | 0 | 0 | 110.2 | ||
| 110 | S | 94.4 | Very high | 88.5 | Confident | 3 Ų | 3 | 89.2 Ų | 89.2 | 2% | 0.021 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 165.4 | 166.3 | 54 | 0 | 0 | 0 | 0 | 112.1 | Q97 Y98 | Q97-S110 VanDerWaalsContact CD-O 3.28Å; Q97-S110 VanDerWaalsContact CG-O 3.24Å; Q97-S110 WeakPolarHBondContact CG-O 3.16Å; Q97-S110 WeakPolarHBondContact CG-OG 3.01Å; Q97-S110 PolarHBondContact NE2-O 3.06Å; Y98-S110 WeakPolarHBondContact CD1-OG 3.35Å; Y98-S110 WeakPolarHBondContact CE1-OG 3.4Å; Y98-S110 PolarHBondContact N-OG 2.82Å; Y98-S110 WeakPolarHBondContact O-CB 3.42Å; Y98-S110 PolarHBondContact O-N 2.85Å; Y98-S110 PolarHBondContact O-OG 2.83Å |
| 111 | D | 94.2 | Very high | 88.2 | Confident | 98 Ų | 98 | 91.2 Ų | 91.2 | 52% | 0.524 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 158.5 | 161 | -70.6 | -32.9 | 0 | 0 | 0 | 111.2 | I19 A21 P22 | I19-D111 PolarHBondContact O-N 2.94Å; A21-D111 HydrophobicContact CB-CB 4.01Å; P22-D111 VanDerWaalsContact CD-O 3.23Å; P22-D111 WeakPolarHBondContact CD-O 3.47Å |
| 112 | F | 95.9 | Very high | 87.6 | Confident | 106 Ų | 106 | 89.5 Ų | 89.5 | 47% | 0.465 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 144.7 | 174.4 | -73.9 | -76 | 0 | 0 | 0 | 111.8 | A21 F56 Q97 | A21-F112 WeakPolarHBondContact CB-O 3.34Å; F56-F112 HydrophobicContact CD1-CE1 4.41Å; F56-F112 HydrophobicContact CD2-CD1 4.3Å; F56-F112 AromaticContact CD2-CE1 3.66Å; F56-F112 HydrophobicContact CD2-CE1 3.66Å; F56-F112 HydrophobicContact CE1-CE1 4.33Å; F56-F112 HydrophobicContact CE2-CD1 4.42Å; F56-F112 AromaticContact CE2-CE1 3.58Å; F56-F112 HydrophobicContact CE2-CE1 3.58Å; F56-F112 HydrophobicContact CE2-CZ 4.43Å; F56-F112 HydrophobicContact CG-CE1 4.09Å; F56-F112 AromaticContact CZ-CE1 3.92Å; F56-F112 HydrophobicContact CZ-CE1 3.92Å; F56-F112 HydrophobicContact CZ-CZ 4.35Å; Q97-F112 HydrophobicContact CB-CD1 3.97Å; Q97-F112 HydrophobicContact CB-CE1 4.07Å |
| 113 | S | 97.2 | Very high | 86.9 | Confident | 10 Ų | 10 | 96.2 Ų | 96.2 | 7% | 0.07 | 51% | 0.506 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 171.2 | 169.7 | 72.4 | 0 | 0 | 0 | 0 | 112.1 | P22 I24 C96 | P22-S113 WeakPolarHBondContact O-CA 3.47Å; P22-S113 WeakPolarHBondContact O-CB 3.38Å; I24-S113 WeakPolarHBondContact CG2-OG 3.37Å; C96-S113 PolarHBondContact N-OG 2.94Å; C96-S113 WeakPolarHBondContact O-CB 3.09Å; C96-S113 PolarHBondContact O-N 2.94Å; C96-S113 PolarHBondContact O-OG 2.84Å |
| 114 | Q | 96 | Very high | 86.2 | Confident | 169 Ų | 169 | 89.5 Ų | 89.5 | 79% | 0.79 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 163.1 | 158.6 | -65.1 | -178.4 | -7.4 | 0 | 0 | 111 | I24 | I24-Q114 WeakPolarHBondContact CG2-O 3.27Š|
| 115 | Q | 95 | Very high | 85.4 | Confident | 139 Ų | 139 | 89.3 Ų | 89.3 | 65% | 0.65 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -91.5 | 137.1 | 176.2 | -68.6 | 178.9 | 42.5 | 0 | 0 | 110.5 | N93 F94 C95 | N93-Q115 PolarHBondContact ND2-OE1 2.85Å; F94-Q115 CarbonylContact O-C 3.57Å; F94-Q115 WeakPolarHBondContact O-CA 3.49Å; C95-Q115 HydrophobicContact CB-CG 4.42Å |
| 116 | V | 94.8 | Very high | 84.4 | Confident | 24 Ų | 24 | 90.7 Ų | 90.7 | 15% | 0.145 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 128.7 | 169.1 | 70.3 | 0 | 0 | 0 | 0 | 109.7 | I24 L26 N93 F94 | I24-V116 HydrophobicContact CD1-CG1 3.74Å; I24-V116 HydrophobicContact CG1-CG1 3.97Å; I24-V116 HydrophobicContact CG2-CB 4.38Å; L26-V116 HydrophobicContact CD1-CG2 4.05Å; L26-V116 HydrophobicContact CG-CG2 3.86Å; N93-V116 WeakPolarHBondContact CA-O 3.17Å; F94-V116 HydrophobicContact CB-CG1 3.86Å; F94-V116 PolarHBondContact N-O 2.84Å; F94-V116 PolarHBondContact O-N 3Å |
| 117 | Q | 91.9 | Very high | 83.3 | Confident | 139 Ų | 139 | 90 Ų | 90 | 65% | 0.65 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 125.7 | 178.4 | -174.7 | 175.1 | 46.7 | 0 | 0 | 110 | G92 | G92-Q117 WeakPolarHBondContact O-CA 3.46Å |
| 118 | V | 90.6 | Very high | 82.3 | Confident | 6 Ų | 6 | 92.3 Ų | 92.3 | 4% | 0.036 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 121.6 | 173.1 | -176.3 | 0 | 0 | 0 | 0 | 109.2 | L26 P31 I38 G91 G92 F94 F120 | L26-V118 HydrophobicContact CD1-CG2 4.18Å; L26-V118 HydrophobicContact CD2-CG2 3.77Å; L26-V118 HydrophobicContact CG-CG2 4.48Å; P31-V118 HydrophobicContact CG-CG1 4.04Å; I38-V118 HydrophobicContact CD1-CG1 3.94Å; I38-V118 HydrophobicContact CG1-CG1 4.3Å; I38-V118 HydrophobicContact CG2-CG1 4.17Å; I38-V118 HydrophobicContact CG2-CG2 4.01Å; G91-V118 CarbonylContact C-O 3.48Å; G91-V118 WeakPolarHBondContact CA-O 3.26Å; G92-V118 PolarHBondContact N-O 3.31Å; G92-V118 PolarHBondContact O-N 3.09Å; F94-V118 HydrophobicContact CD2-CB 4.45Å; F94-V118 HydrophobicContact CD2-CG2 3.74Å; F94-V118 HydrophobicContact CE2-CB 4.06Å; F94-V118 HydrophobicContact CE2-CG2 3.69Å; V118-F120 HydrophobicContact CG1-CE1 4.24Å; V118-F120 HydrophobicContact CG1-CZ 4.28Å |
| 119 | S | 87.1 | Confident | 81 | Confident | 90 Ų | 90 | 94.3 Ų | 94.3 | 63% | 0.629 | 49% | 0.489 | S | S | * | . | trans | -135.3 | 145.9 | 176.2 | 64.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 120 | F | 85 | Confident | 79.7 | Confident | 48 Ų | 48 | 93.7 Ų | 93.7 | 21% | 0.211 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -100.3 | 143.8 | 179.5 | -47.7 | -73.5 | 0 | 0 | 0 | 110.9 | P31 S33 H34 I38 A90 V118 A122 | P31-F120 HydrophobicContact CB-CD1 3.9Å; P31-F120 HydrophobicContact CB-CE1 3.64Å; P31-F120 HydrophobicContact CG-CD1 4.13Å; P31-F120 HydrophobicContact CG-CE1 3.83Å; S33-F120 WeakPolarHBondContact O-CD1 3.06Å; S33-F120 WeakPolarHBondContact O-CE1 3.5Å; H34-F120 HydrophobicContact CB-CD2 4.02Å; H34-F120 HydrophobicContact CB-CE2 3.77Å; H34-F120 HydrophobicContact CB-CZ 4.17Å; I38-F120 HydrophobicContact CD1-CZ 4.25Å; A90-F120 HydrophobicContact CB-CE2 3.77Å; A90-F120 HydrophobicContact CB-CZ 3.57Å; V118-F120 HydrophobicContact CG1-CE1 4.24Å; V118-F120 HydrophobicContact CG1-CZ 4.28Å; F120-A122 PolarHBondContact O-N 3.2Å |
| 121 | P | 82.1 | Confident | 78.5 | Confident | 84 Ų | 84 | 102.9 Ų | 102.9 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 130 | 175.7 | 24.3 | -32.4 | 0 | 0 | 0 | 110.9 | S32 K123 | S32-P121 WeakPolarHBondContact O-CD 3.26Å; S32-P121 WeakPolarHBondContact O-CG 3.46Å; P121-K123 PolarHBondContact O-N 2.79Å |
| 122 | A | 73.9 | Confident | 77 | Confident | 93 Ų | 93 | 104.9 Ų | 104.9 | 77% | 0.769 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 126.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | F120 A124 | F120-A122 PolarHBondContact O-N 3.2Å; A122-A124 VanDerWaalsContact C-N 3.26Å; A122-A124 PolarHBondContact O-N 2.94Å |
| 123 | K | 65.1 | Low | 75.5 | Confident | 157 Ų | 157 | 107.5 Ų | 107.5 | 68% | 0.683 | 53% | 0.531 | S | S | * | . | trans | -68.8 | 83.6 | 172.1 | -68.8 | 178.8 | -176.9 | 168.7 | 0 | 109.1 | P121 K125 | P121-K123 PolarHBondContact O-N 2.79Å; K123-K125 HydrophobicContact CB-CG 4.42Å; K123-K125 PolarHBondContact O-N 3.43Å | ||
| 124 | A | 60.2 | Low | 73.8 | Confident | 45 Ų | 45 | 113 Ų | 113 | 37% | 0.372 | 56% | 0.555 | S | S | . | * | trans | -73.6 | 42.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A122 N126 L127 Q128 | A122-A124 VanDerWaalsContact C-N 3.26Å; A122-A124 PolarHBondContact O-N 2.94Å; A124-N126 PolarHBondContact O-N 2.93Å; A124-L127 PolarHBondContact O-N 2.76Å; A124-Q128 PolarHBondContact O-N 2.87Å | ||
| 125 | K | 61.2 | Low | 72.6 | Confident | 156 Ų | 156 | 107.6 Ų | 107.6 | 68% | 0.678 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.9 | -28.3 | -175.6 | -67.8 | -173.4 | 176.7 | -172.3 | 0 | 113 | K123 K129 | K123-K125 HydrophobicContact CB-CG 4.42Å; K123-K125 PolarHBondContact O-N 3.43Å; K125-K129 WeakPolarHBondContact O-CB 3.48Å |
| 126 | N | 59.2 | Low | 71.4 | Confident | 133 Ų | 133 | 107 Ų | 107 | 71% | 0.711 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -85.2 | -35.3 | -178.1 | -67.3 | -37 | 0 | 0 | 0 | 113 | A124 Q130 | A124-N126 PolarHBondContact O-N 2.93Å; N126-Q130 WeakPolarHBondContact O-CB 3.24Å; N126-Q130 PolarHBondContact O-N 2.7Å |
| 127 | L | 60.6 | Low | 69.9 | Low | 122 Ų | 122 | 117.3 Ų | 117.3 | 64% | 0.639 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -75.3 | -34.5 | -178.7 | -68.3 | 172.5 | 0 | 0 | 0 | 112.2 | A124 Q130 R131 | A124-L127 PolarHBondContact O-N 2.76Å; L127-Q130 PolarHBondContact O-N 2.88Å; L127-R131 WeakPolarHBondContact O-CB 3.27Å; L127-R131 PolarHBondContact O-N 2.97Å |
| 128 | Q | 63 | Low | 68.2 | Low | 127 Ų | 127 | 113.5 Ų | 113.5 | 59% | 0.593 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69.5 | -44.1 | 176.2 | -142.5 | 153.9 | -12.4 | 0 | 0 | 110.7 | A124 Q130 R131 E132 | A124-Q128 PolarHBondContact O-N 2.87Å; Q128-Q130 VanDerWaalsContact C-N 3.27Å; Q128-Q130 PolarHBondContact O-N 2.99Å; Q128-R131 PolarHBondContact O-N 2.81Å; Q128-E132 WeakPolarHBondContact O-CB 3.38Å; Q128-E132 WeakPolarHBondContact O-CG 3.33Å; Q128-E132 PolarHBondContact O-N 2.76Å |
| 129 | K | 61.7 | Low | 66.6 | Low | 128 Ų | 128 | 121.5 Ų | 121.5 | 56% | 0.557 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -62 | -32 | 171.5 | -173.6 | 176 | -179.9 | 177.6 | 0 | 112.9 | K125 R133 | K125-K129 WeakPolarHBondContact O-CB 3.48Å; K129-R133 VanDerWaalsContact O-CB 3.28Å; K129-R133 WeakPolarHBondContact O-CB 3.28Å; K129-R133 PolarHBondContact O-N 2.83Å; K129-R133 VanDerWaalsContact O-N 3.13Å |
| 130 | Q | 64.3 | Low | 65.3 | Low | 90 Ų | 90 | 122.8 Ų | 122.8 | 42% | 0.421 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -72.6 | -44.8 | 174.2 | -175.5 | 161.2 | -8.3 | 0 | 0 | 111.4 | N126 L127 Q128 E132 R133 E134 | N126-Q130 WeakPolarHBondContact O-CB 3.24Å; N126-Q130 PolarHBondContact O-N 2.7Å; L127-Q130 PolarHBondContact O-N 2.88Å; Q128-Q130 VanDerWaalsContact C-N 3.27Å; Q128-Q130 PolarHBondContact O-N 2.99Å; Q130-E132 VanDerWaalsContact C-N 3.31Å; Q130-E132 PolarHBondContact O-N 2.03Å; Q130-R133 WeakPolarHBondContact O-CB 3.44Å; Q130-R133 PolarHBondContact O-N 2.83Å; Q130-R133 VanDerWaalsContact O-N 3.12Å; Q130-E134 HydrophobicContact CG-CG 4.32Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.44Å; Q130-E134 PolarHBondContact NE2-OE1 2.77Å; Q130-E134 WeakPolarHBondContact O-CB 3.26Å; Q130-E134 WeakPolarHBondContact O-CG 3.38Å; Q130-E134 PolarHBondContact O-N 2.96Å |
| 131 | R | 68.6 | Low | 63.9 | Low | 197 Ų | 197 | 127.6 Ų | 127.6 | 74% | 0.743 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -61.6 | -37.6 | 174.6 | -168.2 | -173.9 | -65.3 | -172.4 | -0.9 | 112.6 | L127 Q128 E134 S135 | L127-R131 WeakPolarHBondContact O-CB 3.27Å; L127-R131 PolarHBondContact O-N 2.97Å; Q128-R131 PolarHBondContact O-N 2.81Å; R131-E134 PolarHBondContact O-N 3.11Å; R131-S135 PolarHBondContact O-N 2.86Å |
| 132 | E | 63 | Low | 62.2 | Low | 139 Ų | 139 | 129.8 Ų | 129.8 | 65% | 0.65 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -66 | -39.4 | 173.4 | -76.1 | 173.1 | -177.5 | 0 | 0 | 112.1 | Q128 Q130 S135 | Q128-E132 WeakPolarHBondContact O-CB 3.38Å; Q128-E132 WeakPolarHBondContact O-CG 3.33Å; Q128-E132 PolarHBondContact O-N 2.76Å; Q130-E132 VanDerWaalsContact C-N 3.31Å; Q130-E132 PolarHBondContact O-N 2.03Å; E132-S135 WeakPolarHBondContact O-CB 3.42Å; E132-S135 PolarHBondContact O-N 2.9Å |
| 133 | R | 65.3 | Low | 61 | Low | 162 Ų | 162 | 131.2 Ų | 131.2 | 61% | 0.611 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -70.3 | -33.2 | 176.6 | -170.3 | -171.1 | -35.5 | -161.7 | 10.2 | 112.9 | K129 Q130 A138 | K129-R133 VanDerWaalsContact O-CB 3.28Å; K129-R133 WeakPolarHBondContact O-CB 3.28Å; K129-R133 PolarHBondContact O-N 2.83Å; K129-R133 VanDerWaalsContact O-N 3.13Å; Q130-R133 WeakPolarHBondContact O-CB 3.44Å; Q130-R133 PolarHBondContact O-N 2.83Å; Q130-R133 VanDerWaalsContact O-N 3.12Å; R133-A138 WeakPolarHBondContact O-CB 3.13Å |
| 134 | E | 62.3 | Low | 60.3 | Low | 124 Ų | 124 | 131.1 Ų | 131.1 | 58% | 0.579 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -89 | -7.4 | 178.9 | -68.8 | 173.3 | -174.8 | 0 | 0 | 112.8 | Q130 R131 C136 | Q130-E134 HydrophobicContact CG-CG 4.32Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.44Å; Q130-E134 PolarHBondContact NE2-OE1 2.77Å; Q130-E134 WeakPolarHBondContact O-CB 3.26Å; Q130-E134 WeakPolarHBondContact O-CG 3.38Å; Q130-E134 PolarHBondContact O-N 2.96Å; R131-E134 PolarHBondContact O-N 3.11Å; E134-C136 PolarHBondContact O-N 2.88Å |
| 135 | S | 70.3 | Confident | 60 | Low | 56 Ų | 56 | 134.7 Ų | 134.7 | 39% | 0.392 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -60.6 | 121.9 | 170.7 | -175.1 | 0 | 0 | 0 | 0 | 108.2 | R131 E132 W137 A138 | R131-S135 PolarHBondContact O-N 2.86Å; E132-S135 WeakPolarHBondContact O-CB 3.42Å; E132-S135 PolarHBondContact O-N 2.9Å; S135-W137 PolarHBondContact O-N 2.95Å; S135-A138 PolarHBondContact O-N 2.93Å |
| 136 | C | 69.8 | Low | 59.7 | Low | 128 Ų | 128 | 133.9 Ų | 133.9 | 87% | 0.865 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | 7.1 | -172 | -55.8 | 0 | 0 | 0 | 0 | 115.9 | E134 | E134-C136 PolarHBondContact O-N 2.88Š|
| 137 | W | 63.8 | Low | 59.6 | Low | 240 Ų | 240 | 133.7 Ų | 133.7 | 91% | 0.909 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -4 | 167.5 | -63.6 | 101 | 0 | 0 | 0 | 113.3 | S135 Q139 | S135-W137 PolarHBondContact O-N 2.95Å; W137-Q139 PolarHBondContact O-N 2.87Å |
| 138 | A | 54.5 | Low | 59.2 | Low | 59 Ų | 59 | 132.4 Ų | 132.4 | 49% | 0.488 | 66% | 0.664 | S | S | . | * | S | Bend | trans | -63 | 110.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | R133 S135 I140 | R133-A138 WeakPolarHBondContact O-CB 3.13Å; S135-A138 PolarHBondContact O-N 2.93Å; A138-I140 PolarHBondContact O-N 2.93Å |
| 139 | Q | 57.6 | Low | 58.4 | Low | 174 Ų | 174 | 135.1 Ų | 135.1 | 81% | 0.813 | 68% | 0.675 | S | S | * | * | trans | -29.6 | 107 | 177.3 | -164.3 | 156.8 | -18.5 | 0 | 0 | 112.3 | W137 N141 | W137-Q139 PolarHBondContact O-N 2.87Å; Q139-N141 PolarHBondContact O-N 2.87Å | ||
| 140 | I | 59.5 | Low | 58.1 | Low | 117 Ų | 117 | 135.8 Ų | 135.8 | 60% | 0.6 | 68% | 0.684 | S | S | * | * | trans | -59.6 | 107.3 | 169.6 | -29.3 | 175.6 | 0 | 0 | 0 | 104.5 | A138 F142 | A138-I140 PolarHBondContact O-N 2.93Å; I140-F142 HydrophobicContact CB-CD2 3.79Å; I140-F142 HydrophobicContact CB-CE2 3.59Å; I140-F142 HydrophobicContact CB-CG 4.44Å; I140-F142 HydrophobicContact CB-CZ 4.06Å; I140-F142 HydrophobicContact CD1-CE2 3.53Å; I140-F142 HydrophobicContact CD1-CZ 3.54Å; I140-F142 HydrophobicContact CG1-CE2 3.97Å; I140-F142 HydrophobicContact CG1-CZ 4.34Å; I140-F142 HydrophobicContact CG2-CD1 4.43Å; I140-F142 HydrophobicContact CG2-CD2 4.22Å; I140-F142 HydrophobicContact CG2-CE1 4.23Å; I140-F142 HydrophobicContact CG2-CE2 4.03Å; I140-F142 HydrophobicContact CG2-CG 4.42Å; I140-F142 HydrophobicContact CG2-CZ 4.03Å; I140-F142 PolarHBondContact O-N 2.97Å | ||
| 141 | N | 55.5 | Low | 57.5 | Low | 149 Ų | 149 | 139.1 Ų | 139.1 | 80% | 0.797 | 71% | 0.705 | S | S | * | * | trans | -66.6 | 79.6 | 163.3 | -81 | -25.4 | 0 | 0 | 0 | 105.7 | Q139 T143 | Q139-N141 PolarHBondContact O-N 2.87Å; N141-T143 PolarHBondContact O-N 2.98Å | ||
| 142 | F | 47.1 | Very low | 57.2 | Low | 129 Ų | 129 | 133.5 Ų | 133.5 | 57% | 0.566 | 70% | 0.696 | S | S | * | * | trans | -59.8 | 108.6 | 161.7 | -71.5 | -77.2 | 0 | 0 | 0 | 105.2 | I140 N144 | I140-F142 HydrophobicContact CB-CD2 3.79Å; I140-F142 HydrophobicContact CB-CE2 3.59Å; I140-F142 HydrophobicContact CB-CG 4.44Å; I140-F142 HydrophobicContact CB-CZ 4.06Å; I140-F142 HydrophobicContact CD1-CE2 3.53Å; I140-F142 HydrophobicContact CD1-CZ 3.54Å; I140-F142 HydrophobicContact CG1-CE2 3.97Å; I140-F142 HydrophobicContact CG1-CZ 4.34Å; I140-F142 HydrophobicContact CG2-CD1 4.43Å; I140-F142 HydrophobicContact CG2-CD2 4.22Å; I140-F142 HydrophobicContact CG2-CE1 4.23Å; I140-F142 HydrophobicContact CG2-CE2 4.03Å; I140-F142 HydrophobicContact CG2-CG 4.42Å; I140-F142 HydrophobicContact CG2-CZ 4.03Å; I140-F142 PolarHBondContact O-N 2.97Å; F142-N144 VanDerWaalsContact C-N 3.29Å; F142-N144 PolarHBondContact O-N 3.17Å | ||
| 143 | T | 47.9 | Very low | 57 | Low | 124 Ų | 124 | 133.9 Ų | 133.9 | 76% | 0.761 | 70% | 0.701 | S | S | * | * | trans | -51.3 | 110.2 | 148 | 23.6 | 0 | 0 | 0 | 0 | 105.1 | N141 T145 | N141-T143 PolarHBondContact O-N 2.98Å; T143-T145 PolarHBondContact O-N 2.95Å | ||
| 144 | N | 50.4 | Low | 56.3 | Low | 154 Ų | 154 | 135.4 Ų | 135.4 | 82% | 0.824 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 61 | -175.6 | -165.8 | -20.3 | 0 | 0 | 0 | 109.6 | F142 | F142-N144 VanDerWaalsContact C-N 3.29Å; F142-N144 PolarHBondContact O-N 3.17Å |
| 145 | T | 55.4 | Low | 55.6 | Low | 120 Ų | 120 | 134.5 Ų | 134.5 | 74% | 0.736 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.8 | 4.4 | -169.6 | -44.4 | 0 | 0 | 0 | 0 | 112.7 | T143 | T143-T145 PolarHBondContact O-N 2.95Š|
| 146 | D | 54.8 | Low | 54.4 | Low | 139 Ų | 139 | 138.7 Ų | 138.7 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -152.9 | 61.1 | 166.7 | -154.8 | 31.3 | 0 | 0 | 0 | 113.3 | ||
| 147 | M | 56.6 | Low | 53.4 | Low | 130 Ų | 130 | 137.6 Ų | 137.6 | 64% | 0.64 | 74% | 0.737 | S | S | * | * | trans | -133 | 49.7 | 155.6 | -66.7 | -160.3 | -66.3 | 0 | 0 | 108.9 | F149 | M147-F149 PolarHBondContact O-N 2.84Š| ||
| 148 | S | 52.6 | Low | 52.5 | Low | 95 Ų | 95 | 132.2 Ų | 132.2 | 66% | 0.664 | 73% | 0.73 | S | S | * | * | trans | -74.9 | 104.8 | 157.7 | 58.6 | 0 | 0 | 0 | 0 | 106.8 | D150 | S148-D150 PolarHBondContact O-N 3.37Å; S148-D150 VanDerWaalsContact O-N 3.12Å | ||
| 149 | F | 45.9 | Very low | 51.7 | Low | 184 Ų | 184 | 137 Ų | 137 | 81% | 0.807 | 74% | 0.74 | S | S | * | * | trans | -58.4 | 118.1 | 163 | -69.5 | -87.7 | 0 | 0 | 0 | 107.3 | M147 N151 | M147-F149 PolarHBondContact O-N 2.84Å; F149-N151 VanDerWaalsContact C-N 3.29Å; F149-N151 PolarHBondContact O-N 3.09Å | ||
| 150 | D | 54.3 | Low | 50.8 | Low | 141 Ų | 141 | 137.7 Ų | 137.7 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | trans | -62.1 | 91.8 | 172.2 | -120.6 | -57.4 | 0 | 0 | 0 | 108.5 | S148 S152 | S148-D150 PolarHBondContact O-N 3.37Å; S148-D150 VanDerWaalsContact O-N 3.12Å; D150-S152 PolarHBondContact O-N 2.77Å; D150-S152 VanDerWaalsContact O-N 3.07Å; D150-S152 PolarHBondContact OD1-OG 2.75Å | ||
| 151 | N | 52.7 | Low | 49.5 | Very low | 160 Ų | 160 | 137.2 Ų | 137.2 | 86% | 0.856 | 75% | 0.749 | S | S | * | * | trans | -84.1 | 60.9 | 174.9 | -168.5 | 17.5 | 0 | 0 | 0 | 109.3 | F149 | F149-N151 VanDerWaalsContact C-N 3.29Å; F149-N151 PolarHBondContact O-N 3.09Å | ||
| 152 | S | 62 | Low | 48.4 | Very low | 79 Ų | 79 | 138.2 Ų | 138.2 | 55% | 0.552 | 75% | 0.749 | S | S | * | * | trans | -126.1 | 42.1 | -173.1 | 55.9 | 0 | 0 | 0 | 0 | 112.7 | D150 | D150-S152 PolarHBondContact O-N 2.77Å; D150-S152 VanDerWaalsContact O-N 3.07Å; D150-S152 PolarHBondContact OD1-OG 2.75Å | ||
| 153 | L | 58.2 | Low | 47.6 | Very low | 147 Ų | 147 | 140.3 Ų | 140.3 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -139.8 | 42.3 | 172.7 | -85.9 | 179.5 | 0 | 0 | 0 | 115.5 | ||
| 154 | F | 51.7 | Low | 46.8 | Very low | 195 Ų | 195 | 141.9 Ų | 141.9 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | trans | -150.6 | 68.4 | 151 | -67.2 | -68.6 | 0 | 0 | 0 | 111.7 | I156 | F154-I156 PolarHBondContact O-N 2.87Å; F154-I156 VanDerWaalsContact O-N 3.17Å | ||
| 155 | A | 46.1 | Very low | 45.8 | Very low | 105 Ų | 105 | 139.3 Ų | 139.3 | 87% | 0.868 | 76% | 0.758 | S | S | * | * | trans | -76.7 | 91.3 | 159.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | S157 | A155-S157 PolarHBondContact O-N 3.13Å; A155-S157 VanDerWaalsContact O-N 3.1Å | ||
| 156 | I | 45.2 | Very low | 44.5 | Very low | 143 Ų | 143 | 140.5 Ų | 140.5 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | trans | -72.1 | 103.2 | 166.5 | -59.9 | 175.9 | 0 | 0 | 0 | 106.9 | F154 T158 | F154-I156 PolarHBondContact O-N 2.87Å; F154-I156 VanDerWaalsContact O-N 3.17Å; I156-T158 PolarHBondContact O-N 3.16Å; I156-T158 VanDerWaalsContact O-N 3.09Å | ||
| 157 | S | 49.5 | Very low | 43.2 | Very low | 105 Ų | 105 | 137.7 Ų | 137.7 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | -66.6 | 101.1 | 169.6 | -175.5 | 0 | 0 | 0 | 0 | 108.8 | A155 K159 | A155-S157 PolarHBondContact O-N 3.13Å; A155-S157 VanDerWaalsContact O-N 3.1Å; S157-K159 PolarHBondContact O-N 3.22Å | ||
| 158 | T | 45.8 | Very low | 41.7 | Very low | 127 Ų | 127 | 137 Ų | 137 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | trans | -74.8 | 83.1 | 164.2 | 45.9 | 0 | 0 | 0 | 0 | 108.3 | I156 M160 | I156-T158 PolarHBondContact O-N 3.16Å; I156-T158 VanDerWaalsContact O-N 3.09Å; T158-M160 PolarHBondContact O-N 3.02Å | ||
| 159 | K | 36.9 | Very low | 40.9 | Very low | 160 Ų | 160 | 140.1 Ų | 140.1 | 70% | 0.696 | 77% | 0.772 | S | S | * | * | trans | -64.2 | 104.6 | 168.3 | -178.7 | 179.4 | 172.4 | -179.6 | 0 | 108.5 | S157 T161 | S157-K159 PolarHBondContact O-N 3.22Å; K159-T161 VanDerWaalsContact CE-CG2 3.48Å; K159-T161 HydrophobicContact CG-CG2 4.44Å; K159-T161 PolarHBondContact O-N 3.09Å | ||
| 160 | M | 39.3 | Very low | 40 | Very low | 189 Ų | 189 | 137.9 Ų | 137.9 | 93% | 0.931 | 77% | 0.769 | S | S | * | * | trans | -60.5 | 112.8 | 155.8 | -74.1 | -82.9 | -135.7 | 0 | 0 | 107.4 | T158 | T158-M160 PolarHBondContact O-N 3.02Š| ||
| 161 | T | 32.1 | Very low | 38.9 | Very low | 107 Ų | 107 | 136.3 Ų | 136.3 | 66% | 0.656 | 77% | 0.769 | S | S | * | * | trans | -128.4 | 112.1 | 156.9 | 16.4 | 0 | 0 | 0 | 0 | 108.4 | K159 | K159-T161 VanDerWaalsContact CE-CG2 3.48Å; K159-T161 HydrophobicContact CG-CG2 4.44Å; K159-T161 PolarHBondContact O-N 3.09Å | ||
| 162 | Q | 32.3 | Very low | 38 | Very low | 170 Ų | 170 | 132.2 Ų | 132.2 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | -61.1 | 159.8 | 161 | 176.9 | 168.7 | 28.7 | 0 | 0 | 110.4 | ||||
| 163 | E | 30.9 | Very low | 37 | Very low | 173 Ų | 173 | 134.5 Ų | 134.5 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | trans | 90.1 | 97.3 | 162.6 | 85.6 | -155.6 | 89.3 | 0 | 0 | 121.4 | ||||
| 164 | D | 30.4 | Very low | 36.6 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | 74.2 | 140.5 | 119 | -113.9 | -30.6 | 0 | 0 | 0 | 124.3 | |||||
| 165 | S | 28.2 | Very low | 36.1 | Very low | 99 Ų | 99 | 139.5 Ų | 139.5 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | trans | 88.8 | 101.9 | 154.1 | 71 | 0 | 0 | 0 | 0 | 123 | ||||
| 166 | V | 29.1 | Very low | 35.9 | Very low | 146 Ų | 146 | 144.9 Ų | 144.9 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | 68.8 | 128.3 | 124.2 | 179 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 167 | A | 27 | Very low | 35.8 | Very low | 79 Ų | 79 | 143.7 Ų | 143.7 | 65% | 0.653 | 79% | 0.786 | S | S | * | * | trans | 97.9 | 107.4 | 146 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 168 | T | 26.4 | Very low | 35 | Very low | 116 Ų | 116 | 145.2 Ų | 145.2 | 71% | 0.712 | 79% | 0.791 | S | S | * | * | 88.9 | 118.3 | 116.1 | -59.6 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 169 | L | 34.6 | Very low | 34.4 | Very low | 160 Ų | 160 | 144.9 Ų | 144.9 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | 60.7 | 148.8 | 149.7 | -64.5 | 164.3 | 0 | 0 | 0 | 118.4 | ||||
| 170 | D | 26.7 | Very low | 34.4 | Very low | 137 Ų | 137 | 142 Ų | 142 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | cis | -178.7 | 159.4 | -9.5 | 172.3 | 34 | 0 | 0 | 0 | 105.9 | ||||
| 171 | S | 31.4 | Very low | 34.1 | Very low | 108 Ų | 108 | 138.8 Ų | 138.8 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | 85.8 | 118.6 | 152.1 | 79 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 172 | G | 34.8 | Very low | 34.4 | Very low | 74 Ų | 74 | 139.3 Ų | 139.3 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | trans | 143.7 | 129.9 | 141.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 173 | P | 41.6 | Very low | 34.7 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | trans | -105.2 | 145.3 | -149 | 24 | -6.6 | 0 | 0 | 0 | 117.3 | ||||
| 174 | R | 48.3 | Very low | 35.4 | Very low | 231 Ų | 231 | 134.1 Ų | 134.1 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | trans | -8.9 | 129.7 | 148.9 | -97.3 | 176.9 | 164.9 | -174.3 | -1.3 | 116.6 | ||||
| 175 | K | 40.7 | Very low | 35.7 | Very low | 215 Ų | 215 | 135.7 Ų | 135.7 | 94% | 0.935 | 81% | 0.805 | S | S | * | * | trans | -134.6 | 137.1 | 141 | -72.1 | -168.4 | 179.6 | 176.3 | 0 | 111.9 | ||||
| 176 | R | 43.1 | Very low | 36.9 | Very low | 218 Ų | 218 | 135.8 Ų | 135.8 | 82% | 0.823 | 80% | 0.803 | S | S | * | * | trans | -89.4 | 158.5 | -169.3 | 171.8 | 177.1 | -92.2 | 171.6 | -7.4 | 110.4 | ||||
| 177 | P | 43.2 | Very low | 38 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | trans | -81.2 | 149 | -166.1 | 32.4 | -29.9 | 0 | 0 | 0 | 112.5 | ||||
| 178 | T | 32.3 | Very low | 39.1 | Very low | 138 Ų | 138 | 140.5 Ų | 140.5 | 85% | 0.847 | 81% | 0.813 | S | S | * | * | trans | -117.3 | 111.9 | 170.1 | -62.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 179 | S | 33.7 | Very low | 40 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | trans | -70.2 | 132.7 | 166.5 | -51.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 180 | A | 35.6 | Very low | 40.7 | Very low | 101 Ų | 101 | 142.8 Ų | 142.8 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | trans | -133.1 | 115.6 | 155.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 181 | S | 34.3 | Very low | 42 | Very low | 121 Ų | 121 | 142 Ų | 142 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | trans | -78.6 | 130.7 | 176.8 | 141.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 182 | S | 37.1 | Very low | 42.9 | Very low | 118 Ų | 118 | 146.3 Ų | 146.3 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | trans | -161 | 124.5 | 142.5 | 56.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 183 | S | 39.6 | Very low | 44 | Very low | 113 Ų | 113 | 154.5 Ų | 154.5 | 79% | 0.79 | 84% | 0.835 | S | S | * | * | trans | -60.4 | 152 | -176.1 | -172.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 184 | P | 46.3 | Very low | 44 | Very low | 120 Ų | 120 | 153.1 Ų | 153.1 | 78% | 0.779 | 84% | 0.835 | S | S | * | * | trans | -84.4 | 143.3 | -178.5 | 33.7 | -34.7 | 0 | 0 | 0 | 113 | ||||
| 185 | E | 35.3 | Very low | 44.1 | Very low | 190 Ų | 190 | 148.5 Ų | 148.5 | 89% | 0.888 | 84% | 0.837 | S | S | * | * | trans | -117.9 | 112.3 | 172.5 | -160.6 | 174.7 | 151.9 | 0 | 0 | 108.9 | ||||
| 186 | P | 54.2 | Low | 44.2 | Very low | 102 Ų | 102 | 151 Ų | 151 | 66% | 0.662 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 140.8 | 172.4 | 31.4 | -30.3 | 0 | 0 | 0 | 110.9 | E188 | P186-E188 PolarHBondContact O-N 3.07Š|
| 187 | P | 52.7 | Low | 44.3 | Very low | 131 Ų | 131 | 147.7 Ų | 147.7 | 85% | 0.851 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 120.2 | 175.4 | 27.2 | -31.1 | 0 | 0 | 0 | 110.4 | F189 | P187-F189 PolarHBondContact O-N 3.31Š|
| 188 | E | 50.1 | Low | 44.4 | Very low | 192 Ų | 192 | 149.2 Ų | 149.2 | 90% | 0.897 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 121.9 | 177 | -61.5 | -169 | 139.2 | 0 | 0 | 110.9 | P186 S190 | P186-E188 PolarHBondContact O-N 3.07Å; E188-S190 PolarHBondContact O-N 3.16Å |
| 189 | F | 43.8 | Very low | 45 | Very low | 208 Ų | 208 | 149.8 Ų | 149.8 | 91% | 0.912 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 119.2 | 172 | -147.9 | -94.6 | 0 | 0 | 0 | 108.7 | P187 | P187-F189 PolarHBondContact O-N 3.31Š|
| 190 | S | 50.9 | Low | 45.7 | Very low | 116 Ų | 116 | 151.6 Ų | 151.6 | 81% | 0.811 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 133.5 | -172.4 | -168.3 | 0 | 0 | 0 | 0 | 113.4 | E188 | E188-S190 PolarHBondContact O-N 3.16Š|
| 191 | T | 53.7 | Low | 46.3 | Very low | 120 Ų | 120 | 154.8 Ų | 154.8 | 74% | 0.736 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 139.8 | -171.3 | -51.2 | 0 | 0 | 0 | 0 | 115.3 | ||
| 192 | F | 48.5 | Very low | 47.1 | Very low | 200 Ų | 200 | 157.1 Ų | 157.1 | 88% | 0.877 | 86% | 0.862 | S | S | * | * | trans | -28.3 | 131.7 | 161.6 | -66.1 | -96.4 | 0 | 0 | 0 | 115.3 | ||||
| 193 | R | 58.6 | Low | 47.8 | Very low | 245 Ų | 245 | 159.9 Ų | 159.9 | 93% | 0.925 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 116.3 | 159.1 | -73.5 | -173.5 | -175 | -99.5 | 0.1 | 109.4 | ||
| 194 | A | 41.7 | Very low | 48.5 | Very low | 99 Ų | 99 | 163.5 Ų | 163.5 | 82% | 0.818 | 87% | 0.871 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 132.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 195 | C | 50.5 | Low | 48.7 | Very low | 135 Ų | 135 | 167.1 Ų | 167.1 | 91% | 0.912 | 88% | 0.878 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 136.8 | 166.9 | -64.1 | 0 | 0 | 0 | 0 | 108.6 | ||
| 196 | Q | 43.9 | Very low | 49.9 | Very low | 267 Ų | 267 | 165 Ų | 165 | 100% | 1.248 | 88% | 0.877 | S | S | * | * | trans | -98.1 | 0 | 172.6 | -151.5 | 177.5 | 117.4 | 0 | 0 | 108.7 |
Retrieved 196 of 196 residues in 172 ms
(Link to these results)