| 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 | 49.8 | Very low | 57.5 | Low | 237 Ų | 237 | 143.9 Ų | 143.9 | 100% | 1.167 | 80% | 0.799 | S | S | * | * | 0 | 112.3 | 0 | -62.7 | 172.9 | 79.3 | 0 | 0 | 107.1 | |||||
| 2 | P | 45.4 | Very low | 57.6 | Low | 128 Ų | 128 | 144.5 Ų | 144.5 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | trans | -80.4 | 129.4 | 178 | 32.1 | -28.6 | 0 | 0 | 0 | 109 | V4 | P2-V4 PolarHBondContact O-N 3.16Š| ||
| 3 | L | 46.6 | Very low | 57.2 | Low | 158 Ų | 158 | 150.2 Ų | 150.2 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | trans | -74.6 | 120.3 | 175.6 | -144.4 | 97.3 | 0 | 0 | 0 | 108.1 | V5 | L3-V5 PolarHBondContact O-N 3.45Š| ||
| 4 | V | 53.9 | Low | 57.2 | Low | 137 Ų | 137 | 148.3 Ų | 148.3 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | trans | -77.4 | 113.3 | 172.9 | 179.5 | 0 | 0 | 0 | 0 | 107.8 | P2 | P2-V4 PolarHBondContact O-N 3.16Š| ||
| 5 | V | 61.3 | Low | 56.9 | Low | 114 Ų | 114 | 149.3 Ų | 149.3 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | trans | -93.8 | 109.5 | 172.2 | -179.4 | 0 | 0 | 0 | 0 | 108.1 | L3 V7 | L3-V5 PolarHBondContact O-N 3.45Å; V5-V7 HydrophobicContact CG1-CG2 3.98Å | ||
| 6 | A | 63.3 | Low | 56.9 | Low | 84 Ų | 84 | 144.4 Ų | 144.4 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | trans | -91.5 | 111.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 7 | V | 65.1 | Low | 56.8 | Low | 104 Ų | 104 | 144.1 Ų | 144.1 | 63% | 0.63 | 78% | 0.776 | S | S | * | * | trans | -96.9 | 102 | 171.8 | -175.6 | 0 | 0 | 0 | 0 | 107.8 | V5 F9 | V5-V7 HydrophobicContact CG1-CG2 3.98Å; V7-F9 HydrophobicContact CG1-CD2 3.76Å; V7-F9 HydrophobicContact CG1-CE2 3.51Å; V7-F9 HydrophobicContact CG1-CZ 4.31Å; V7-F9 PolarHBondContact O-N 3.02Å | ||
| 8 | I | 68.1 | Low | 57 | Low | 144 Ų | 144 | 137.7 Ų | 137.7 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | trans | -87.1 | 103 | 175.9 | -58.2 | 176.2 | 0 | 0 | 0 | 107.7 | F10 | I8-F10 HydrophobicContact CG2-CD2 4.2Å; I8-F10 PolarHBondContact O-N 3.26Å | ||
| 9 | F | 57.8 | Low | 57.6 | Low | 185 Ų | 185 | 136.6 Ų | 136.6 | 81% | 0.811 | 74% | 0.739 | S | S | * | * | trans | -78.4 | 97.4 | 167.7 | -84.2 | -87.3 | 0 | 0 | 0 | 109 | V7 S11 | V7-F9 HydrophobicContact CG1-CD2 3.76Å; V7-F9 HydrophobicContact CG1-CE2 3.51Å; V7-F9 HydrophobicContact CG1-CZ 4.31Å; V7-F9 PolarHBondContact O-N 3.02Å; F9-S11 PolarHBondContact O-N 3.38Å; F9-S11 VanDerWaalsContact O-N 3.1Å | ||
| 10 | F | 59.5 | Low | 58.3 | Low | 184 Ų | 184 | 135.2 Ų | 135.2 | 81% | 0.807 | 73% | 0.73 | S | S | * | * | trans | -77.1 | 88.9 | 167.8 | -130.9 | -93 | 0 | 0 | 0 | 108 | I8 L12 | I8-F10 HydrophobicContact CG2-CD2 4.2Å; I8-F10 PolarHBondContact O-N 3.26Å; F10-L12 PolarHBondContact O-N 2.95Å; F10-L12 VanDerWaalsContact O-N 3.12Å | ||
| 11 | S | 61.8 | Low | 59 | Low | 108 Ų | 108 | 132.1 Ų | 132.1 | 76% | 0.755 | 71% | 0.711 | S | S | * | * | trans | -72.7 | 103 | 171.8 | 55.7 | 0 | 0 | 0 | 0 | 108.7 | F9 W13 | F9-S11 PolarHBondContact O-N 3.38Å; F9-S11 VanDerWaalsContact O-N 3.1Å; S11-W13 PolarHBondContact O-N 3.15Å; S11-W13 VanDerWaalsContact O-N 3.15Å | ||
| 12 | L | 58.8 | Low | 59.9 | Low | 151 Ų | 151 | 125.2 Ų | 125.2 | 79% | 0.791 | 68% | 0.676 | S | S | * | * | trans | -60.3 | 114.2 | 166.7 | -72.6 | 163.3 | 0 | 0 | 0 | 108.2 | F10 V14 | F10-L12 PolarHBondContact O-N 2.95Å; F10-L12 VanDerWaalsContact O-N 3.12Å; L12-V14 PolarHBondContact O-N 3.3Å | ||
| 13 | W | 52.3 | Low | 60.9 | Low | 219 Ų | 219 | 123.9 Ų | 123.9 | 83% | 0.83 | 67% | 0.667 | S | S | * | * | trans | -64.2 | 102.1 | 173.2 | -124 | -13.2 | 0 | 0 | 0 | 108.1 | S11 F15 | S11-W13 PolarHBondContact O-N 3.15Å; S11-W13 VanDerWaalsContact O-N 3.15Å; W13-F15 HydrophobicContact CB-CE2 4.12Å; W13-F15 HydrophobicContact CB-CZ 4.43Å; W13-F15 HydrophobicContact CD2-CE1 4.43Å; W13-F15 AromaticContact CD2-CZ 3.98Å; W13-F15 HydrophobicContact CD2-CZ 3.98Å; W13-F15 HydrophobicContact CE3-CE1 4.4Å; W13-F15 HydrophobicContact CE3-CE2 4.26Å; W13-F15 AromaticContact CE3-CZ 3.65Å; W13-F15 HydrophobicContact CE3-CZ 3.65Å; W13-F15 HydrophobicContact CG-CZ 4.35Å; W13-F15 HydrophobicContact CZ3-CZ 4.2Å; W13-F15 PolarHBondContact O-N 2.89Å | ||
| 14 | V | 56.8 | Low | 62.2 | Low | 123 Ų | 123 | 120.4 Ų | 120.4 | 75% | 0.745 | 65% | 0.647 | S | S | * | * | trans | -77.3 | 104.4 | 165.6 | 177.7 | 0 | 0 | 0 | 0 | 106.4 | L12 A16 | L12-V14 PolarHBondContact O-N 3.3Å; V14-A16 HydrophobicContact CG1-CB 4.42Å; V14-A16 PolarHBondContact O-N 2.97Å | ||
| 15 | F | 52.8 | Low | 63.2 | Low | 163 Ų | 163 | 121.5 Ų | 121.5 | 72% | 0.715 | 65% | 0.646 | S | S | * | * | trans | -72 | 77.3 | 166.7 | -68.3 | -81.2 | 0 | 0 | 0 | 108.8 | W13 L17 | W13-F15 HydrophobicContact CB-CE2 4.12Å; W13-F15 HydrophobicContact CB-CZ 4.43Å; W13-F15 HydrophobicContact CD2-CE1 4.43Å; W13-F15 AromaticContact CD2-CZ 3.98Å; W13-F15 HydrophobicContact CD2-CZ 3.98Å; W13-F15 HydrophobicContact CE3-CE1 4.4Å; W13-F15 HydrophobicContact CE3-CE2 4.26Å; W13-F15 AromaticContact CE3-CZ 3.65Å; W13-F15 HydrophobicContact CE3-CZ 3.65Å; W13-F15 HydrophobicContact CG-CZ 4.35Å; W13-F15 HydrophobicContact CZ3-CZ 4.2Å; W13-F15 PolarHBondContact O-N 2.89Å; F15-L17 PolarHBondContact O-N 2.77Å | ||
| 16 | A | 57.9 | Low | 64.2 | Low | 72 Ų | 72 | 120.8 Ų | 120.8 | 60% | 0.595 | 65% | 0.646 | S | S | * | * | trans | -73.1 | 116.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | V14 G18 | V14-A16 HydrophobicContact CG1-CB 4.42Å; V14-A16 PolarHBondContact O-N 2.97Å; A16-G18 PolarHBondContact O-N 2.91Å | ||
| 17 | L | 55.3 | Low | 65.2 | Low | 139 Ų | 139 | 119.1 Ų | 119.1 | 73% | 0.728 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -68.8 | 24 | 177.5 | -92.5 | 157.3 | 0 | 0 | 0 | 113.8 | F15 | F15-L17 PolarHBondContact O-N 2.77Š|
| 18 | G | 60 | Low | 66.3 | Low | 29 Ų | 29 | 119.6 Ų | 119.6 | 30% | 0.299 | 63% | 0.633 | S | S | . | * | trans | 170.8 | 144.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A16 S42 | A16-G18 PolarHBondContact O-N 2.91Å; G18-S42 WeakPolarHBondContact CA-O 3.48Å | ||
| 19 | Q | 68.6 | Low | 67.3 | Low | 117 Ų | 117 | 119.6 Ų | 119.6 | 55% | 0.547 | 62% | 0.624 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.1 | 128.7 | 173.4 | 179.9 | 170.6 | -26.5 | 0 | 0 | 108.8 | E21 S42 | Q19-E21 HydrophobicContact CG-CG 4.16Å; Q19-E21 PolarHBondContact NE2-OE1 2.9Å; Q19-S42 PolarHBondContact N-O 3.22Å; Q19-S42 WeakPolarHBondContact O-CB 3.28Å; Q19-S42 PolarHBondContact O-N 3.3Å |
| 20 | L | 71.4 | Confident | 68.7 | Low | 107 Ų | 107 | 115 Ų | 115 | 56% | 0.56 | 61% | 0.612 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.7 | 126.7 | 174.7 | -61.2 | -176.3 | 0 | 0 | 0 | 108.8 | W39 A41 | L20-W39 HydrophobicContact CD1-CZ2 4.18Å; L20-W39 HydrophobicContact CD2-CH2 4.15Å; L20-W39 HydrophobicContact CD2-CZ2 3.34Å; L20-W39 HydrophobicContact CG-CZ2 4.33Å; L20-A41 HydrophobicContact CD2-CB 3.62Å |
| 21 | E | 72.3 | Confident | 70.1 | Confident | 71 Ų | 71 | 109.6 Ų | 109.6 | 33% | 0.332 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.8 | 122.3 | 179.2 | -65.5 | -174.8 | 159.1 | 0 | 0 | 109.6 | Q19 K40 | Q19-E21 HydrophobicContact CG-CG 4.16Å; Q19-E21 PolarHBondContact NE2-OE1 2.9Å; E21-K40 HydrophobicContact CB-CB 4.4Å; E21-K40 PolarHBondContact N-O 3.04Å; E21-K40 PolarHBondContact O-N 3.06Å; E21-K40 VanDerWaalsContact O-O 3.09Å; E21-K40 IonicContact OE2-NZ 2.8Å; E21-K40 PolarHBondContact OE2-NZ 2.83Å |
| 22 | Q | 68.2 | Low | 71.3 | Confident | 92 Ų | 92 | 110 Ų | 110 | 43% | 0.43 | 60% | 0.596 | S | S | . | * | trans | -104.8 | 110.4 | 165.6 | -170.5 | 171.3 | -38.7 | 0 | 0 | 107.9 | E24 | Q22-E24 VanDerWaalsContact C-N 3.25Å; Q22-E24 WeakPolarHBondContact CG-O 3.32Å; Q22-E24 PolarHBondContact NE2-O 2.56Å; Q22-E24 PolarHBondContact O-N 3.21Å | ||
| 23 | P | 66.9 | Low | 72.9 | Confident | 101 Ų | 101 | 109.1 Ų | 109.1 | 66% | 0.656 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -68.1 | -25.5 | -174.7 | 25.8 | -33.2 | 0 | 0 | 0 | 112.9 | S38 | P23-S38 WeakPolarHBondContact CD-O 3.5Š|
| 24 | E | 74.6 | Confident | 74.8 | Confident | 85 Ų | 85 | 101.1 Ų | 101.1 | 40% | 0.397 | 56% | 0.563 | S | S | . | * | trans | -132.9 | 111.7 | -178.5 | -160.7 | 173.9 | 176.5 | 0 | 0 | 110.1 | Q22 I27 | Q22-E24 VanDerWaalsContact C-N 3.25Å; Q22-E24 WeakPolarHBondContact CG-O 3.32Å; Q22-E24 PolarHBondContact NE2-O 2.56Å; Q22-E24 PolarHBondContact O-N 3.21Å; E24-I27 HydrophobicContact CB-CG1 4.24Å; E24-I27 HydrophobicContact CG-CG1 3.76Å; E24-I27 WeakPolarHBondContact OE2-CG1 3.34Å | ||
| 25 | I | 74.3 | Confident | 76.4 | Confident | 160 Ų | 160 | 95.6 Ų | 95.6 | 82% | 0.821 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -77.5 | -25.9 | -174.9 | -60.5 | 169.9 | 0 | 0 | 0 | 111.2 | ||
| 26 | S | 83.2 | Confident | 78.3 | Confident | 98 Ų | 98 | 92.5 Ų | 92.5 | 69% | 0.685 | 52% | 0.518 | S | S | * | . | trans | -145.1 | 128.8 | 178.8 | 61.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 27 | I | 84.3 | Confident | 79.9 | Confident | 50 Ų | 50 | 89.8 Ų | 89.8 | 26% | 0.256 | 49% | 0.493 | S | S | . | . | trans | -114.9 | 120 | 178.4 | -67.4 | 155.1 | 0 | 0 | 0 | 108.3 | E24 R29 A35 H36 I37 | E24-I27 HydrophobicContact CB-CG1 4.24Å; E24-I27 HydrophobicContact CG-CG1 3.76Å; E24-I27 WeakPolarHBondContact OE2-CG1 3.34Å; I27-R29 HydrophobicContact CG2-CG 3.92Å; I27-A35 HydrophobicContact CG2-CB 4.07Å; I27-H36 VanDerWaalsContact CD1-O 3.31Å; I27-H36 WeakPolarHBondContact CD1-O 3.47Å; I27-I37 HydrophobicContact CD1-CB 4.14Å; I27-I37 HydrophobicContact CD1-CG1 3.71Å; I27-I37 HydrophobicContact CD1-CG2 4.29Å | ||
| 28 | S | 87.1 | Confident | 81.7 | Confident | 114 Ų | 114 | 85.1 Ų | 85.1 | 80% | 0.797 | 47% | 0.472 | S | S | * | . | trans | -112.8 | 127 | 172 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 29 | R | 89.1 | Confident | 83.2 | Confident | 144 Ų | 144 | 84.4 Ų | 84.4 | 54% | 0.543 | 46% | 0.46 | S | S | . | . | trans | -141.7 | 149.5 | -179.8 | -65.5 | -65.2 | 170.7 | -168.6 | -5.8 | 109.9 | I27 A35 L103 | I27-R29 HydrophobicContact CG2-CG 3.92Å; R29-A35 HydrophobicContact CG-CB 4.23Å; R29-L103 HydrophobicContact CB-CD1 3.46Å; R29-L103 VanDerWaalsContact CB-CD1 3.46Å; R29-L103 HydrophobicContact CG-CD1 4.28Å | ||
| 30 | P | 87.8 | Confident | 84.3 | Confident | 87 Ų | 87 | 82.8 Ų | 82.8 | 57% | 0.565 | 45% | 0.451 | S | S | * | . | trans | -59.8 | 150.6 | 175 | -21.5 | 32.4 | 0 | 0 | 0 | 112.1 | K33 | P30-K33 HydrophobicContact CB-CG 4.08Å; P30-K33 HydrophobicContact CG-CG 4.4Å; P30-K33 WeakPolarHBondContact O-CB 2.96Å; P30-K33 PolarHBondContact O-N 3.33Å | ||
| 31 | A | 87.7 | Confident | 85 | Confident | 71 Ų | 71 | 77.7 Ų | 77.7 | 59% | 0.587 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 152.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | K33 L103 | A31-K33 PolarHBondContact O-N 2.74Å; A31-L103 WeakPolarHBondContact CA-O 3.45Å |
| 32 | N | 88.3 | Confident | 85.6 | Confident | 118 Ų | 118 | 77.2 Ų | 77.2 | 63% | 0.631 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 3 | -176.7 | -59 | -29.4 | 0 | 0 | 0 | 115.7 | L103 | N32-L103 PolarHBondContact N-O 3.49Š|
| 33 | K | 92.1 | Very high | 86.4 | Confident | 131 Ų | 131 | 73.6 Ų | 73.6 | 57% | 0.57 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -93.3 | 171.9 | 169.4 | -61.4 | -61.6 | -176.8 | -178.5 | 0 | 111 | P30 A31 F102 L103 | P30-K33 HydrophobicContact CB-CG 4.08Å; P30-K33 HydrophobicContact CG-CG 4.4Å; P30-K33 WeakPolarHBondContact O-CB 2.96Å; P30-K33 PolarHBondContact O-N 3.33Å; A31-K33 PolarHBondContact O-N 2.74Å; K33-F102 PolarHBondContact O-N 3.37Å; K33-L103 WeakPolarHBondContact O-CG 3.41Å; K33-L103 PolarHBondContact O-N 2.84Å |
| 34 | S | 91.7 | Very high | 87.2 | Confident | 52 Ų | 52 | 77.5 Ų | 77.5 | 36% | 0.364 | 42% | 0.422 | S | S | . | . | trans | -97 | 142.8 | 173.4 | -55.8 | 0 | 0 | 0 | 0 | 110.8 | I100 | S34-I100 CarbonylContact C-O 3.59Å; S34-I100 WeakPolarHBondContact CA-O 3.38Å; S34-I100 WeakPolarHBondContact CB-O 3.45Å | ||
| 35 | A | 91.8 | Very high | 87.8 | Confident | 6 Ų | 6 | 75 Ų | 75 | 5% | 0.05 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 154.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | I27 R29 K99 I100 L103 | I27-A35 HydrophobicContact CG2-CB 4.07Å; R29-A35 HydrophobicContact CG-CB 4.23Å; A35-K99 CarbonylContact O-C 3.56Å; A35-K99 VanDerWaalsContact O-CA 3.29Å; A35-K99 WeakPolarHBondContact O-CA 3.45Å; A35-I100 PolarHBondContact N-O 2.99Å; A35-I100 PolarHBondContact O-N 3.15Å; A35-L103 HydrophobicContact CB-CD1 3.79Å; A35-L103 HydrophobicContact CB-CD2 4.18Å; A35-L103 HydrophobicContact CB-CG 4.37Å |
| 36 | H | 92.1 | Very high | 88.4 | Confident | 99 Ų | 99 | 67.6 Ų | 67.6 | 46% | 0.458 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 119.9 | 175.2 | -65.4 | -101.5 | 0 | 0 | 0 | 108.8 | I27 T97 L98 | I27-H36 VanDerWaalsContact CD1-O 3.31Å; I27-H36 WeakPolarHBondContact CD1-O 3.47Å; H36-T97 HydrophobicContact CB-CG2 4.18Å; H36-L98 CarbonylContact C-O 3.49Å; H36-L98 WeakPolarHBondContact CA-O 3.33Å |
| 37 | I | 92.3 | Very high | 88.6 | Confident | 15 Ų | 15 | 66.5 Ų | 66.5 | 8% | 0.077 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 118.5 | 178.3 | -49.6 | -178.8 | 0 | 0 | 0 | 106.9 | I27 W53 T97 L98 I100 Y111 | I27-I37 HydrophobicContact CD1-CB 4.14Å; I27-I37 HydrophobicContact CD1-CG1 3.71Å; I27-I37 HydrophobicContact CD1-CG2 4.29Å; I37-W53 HydrophobicContact CB-CH2 4.26Å; I37-W53 HydrophobicContact CB-CZ3 4.33Å; I37-W53 HydrophobicContact CG2-CH2 3.97Å; I37-W53 HydrophobicContact CG2-CZ3 3.95Å; I37-T97 CarbonylContact O-C 3.45Å; I37-T97 VanDerWaalsContact O-CA 3.25Å; I37-T97 WeakPolarHBondContact O-CA 3.31Å; I37-L98 HydrophobicContact CB-CB 4.4Å; I37-L98 HydrophobicContact CD1-CD2 4.43Å; I37-L98 PolarHBondContact N-O 3.43Å; I37-L98 PolarHBondContact O-N 3.18Å; I37-I100 HydrophobicContact CD1-CD1 3.73Å; I37-I100 HydrophobicContact CG1-CD1 4.39Å; I37-Y111 HydrophobicContact CD1-CD1 4.12Å; I37-Y111 HydrophobicContact CD1-CD2 3.27Å; I37-Y111 HydrophobicContact CD1-CE2 3.85Å; I37-Y111 HydrophobicContact CD1-CG 3.42Å; I37-Y111 VanDerWaalsContact CD1-CG 3.42Å |
| 38 | S | 91.8 | Very high | 88.7 | Confident | 40 Ų | 40 | 67.9 Ų | 67.9 | 28% | 0.28 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 136.6 | -179.8 | -63.4 | 0 | 0 | 0 | 0 | 110.8 | P23 S96 T97 | P23-S38 WeakPolarHBondContact CD-O 3.5Å; S38-S96 CarbonylContact C-O 3.56Å; S38-S96 WeakPolarHBondContact CA-O 3.28Å; S38-T97 PolarHBondContact OG-OG1 2.84Å |
| 39 | W | 91.4 | Very high | 88.7 | Confident | 14 Ų | 14 | 64 Ų | 64 | 5% | 0.053 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 124.9 | 172.4 | 176.2 | 80.3 | 0 | 0 | 0 | 108.9 | L20 A41 F46 I51 W53 T95 S96 C113 C115 | L20-W39 HydrophobicContact CD1-CZ2 4.18Å; L20-W39 HydrophobicContact CD2-CH2 4.15Å; L20-W39 HydrophobicContact CD2-CZ2 3.34Å; L20-W39 HydrophobicContact CG-CZ2 4.33Å; W39-A41 HydrophobicContact CD2-CB 4.47Å; W39-A41 HydrophobicContact CE3-CB 4.16Å; W39-A41 HydrophobicContact CH2-CB 3.4Å; W39-A41 VanDerWaalsContact CH2-CB 3.4Å; W39-A41 HydrophobicContact CZ2-CB 3.74Å; W39-A41 HydrophobicContact CZ3-CB 3.62Å; W39-F46 HydrophobicContact CE3-CE2 4.39Å; W39-F46 AromaticContact CZ3-CE2 3.82Å; W39-F46 HydrophobicContact CZ3-CE2 3.82Å; W39-I51 HydrophobicContact CE3-CG2 4.21Å; W39-I51 HydrophobicContact CH2-CD1 4.32Å; W39-I51 HydrophobicContact CZ3-CD1 3.75Å; W39-I51 HydrophobicContact CZ3-CG1 4.38Å; W39-I51 HydrophobicContact CZ3-CG2 4.04Å; W39-W53 HydrophobicContact CB-CH2 4.14Å; W39-W53 HydrophobicContact CB-CZ2 4.22Å; W39-T95 CarbonylContact O-C 3.44Å; W39-T95 VanDerWaalsContact O-CA 3.29Å; W39-T95 WeakPolarHBondContact O-CA 3.38Å; W39-S96 PolarHBondContact N-O 3.22Å; W39-S96 PolarHBondContact O-N 2.86Å; W39-C113 HydrophobicContact CB-CB 3.84Å; W39-C113 HydrophobicContact CD2-CB 3.88Å; W39-C113 HydrophobicContact CE3-CB 4.46Å; W39-C113 HydrophobicContact CG-CB 3.6Å; W39-C113 VanDerWaalsContact CG-SG 3.57Å; W39-C115 HydrophobicContact CH2-CB 4.24Å |
| 40 | K | 91.8 | Very high | 88.6 | Confident | 84 Ų | 84 | 60.3 Ų | 60.3 | 37% | 0.365 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 133.2 | 179.4 | -174.2 | -175.7 | 173.8 | -158.9 | 0 | 109.2 | E21 S94 | E21-K40 HydrophobicContact CB-CB 4.4Å; E21-K40 PolarHBondContact N-O 3.04Å; E21-K40 PolarHBondContact O-N 3.06Å; E21-K40 VanDerWaalsContact O-O 3.09Å; E21-K40 IonicContact OE2-NZ 2.8Å; E21-K40 PolarHBondContact OE2-NZ 2.83Å; K40-S94 WeakPolarHBondContact CA-O 3.43Å |
| 41 | A | 86.8 | Confident | 88.7 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 120.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | L20 W39 I43 F46 S94 | L20-A41 HydrophobicContact CD2-CB 3.62Å; W39-A41 HydrophobicContact CD2-CB 4.47Å; W39-A41 HydrophobicContact CE3-CB 4.16Å; W39-A41 HydrophobicContact CH2-CB 3.4Å; W39-A41 VanDerWaalsContact CH2-CB 3.4Å; W39-A41 HydrophobicContact CZ2-CB 3.74Å; W39-A41 HydrophobicContact CZ3-CB 3.62Å; A41-I43 HydrophobicContact CB-CD1 4.04Å; A41-I43 HydrophobicContact CB-CG1 3.96Å; A41-I43 HydrophobicContact CB-CG2 4.26Å; A41-I43 PolarHBondContact O-N 3.42Å; A41-F46 HydrophobicContact CB-CD2 4.08Å; A41-F46 HydrophobicContact CB-CE2 4.09Å; A41-S94 PolarHBondContact N-O 2.94Å; A41-S94 WeakPolarHBondContact O-CB 3.09Å |
| 42 | S | 85.5 | Confident | 88.7 | Confident | 61 Ų | 61 | 54.2 Ų | 54.2 | 43% | 0.427 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 70.5 | 171.4 | -60.8 | 0 | 0 | 0 | 0 | 109 | G18 Q19 | G18-S42 WeakPolarHBondContact CA-O 3.48Å; Q19-S42 PolarHBondContact N-O 3.22Å; Q19-S42 WeakPolarHBondContact O-CB 3.28Å; Q19-S42 PolarHBondContact O-N 3.3Å |
| 43 | I | 83.8 | Confident | 88.9 | Confident | 15 Ų | 15 | 48.7 Ų | 48.7 | 8% | 0.077 | 27% | 0.269 | C | S | . | . | trans | -122.1 | 142.7 | -178.3 | 60.2 | 178.4 | 0 | 0 | 0 | 111.5 | A41 G45 F46 K49 C115 I117 | A41-I43 HydrophobicContact CB-CD1 4.04Å; A41-I43 HydrophobicContact CB-CG1 3.96Å; A41-I43 HydrophobicContact CB-CG2 4.26Å; A41-I43 PolarHBondContact O-N 3.42Å; I43-G45 PolarHBondContact O-N 2.94Å; I43-F46 HydrophobicContact CD1-CD2 3.91Å; I43-F46 HydrophobicContact CG1-CB 3.98Å; I43-F46 HydrophobicContact CG1-CD2 3.87Å; I43-F46 HydrophobicContact CG1-CG 4.44Å; I43-F46 PolarHBondContact O-N 2.81Å; I43-K49 HydrophobicContact CD1-CG 3.89Å; I43-C115 WeakPolarHBondContact CD1-SG 3.47Å; I43-I117 HydrophobicContact CG2-CD1 4.14Å | ||
| 44 | Q | 84.1 | Confident | 88.8 | Confident | 183 Ų | 183 | 44.8 Ų | 44.8 | 86% | 0.855 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | 135.5 | 175 | -166.6 | 178.6 | 15.2 | 0 | 0 | 110.6 | F46 | Q44-F46 VanDerWaalsContact C-N 3.34Å; Q44-F46 PolarHBondContact O-N 3.38Å |
| 45 | G | 86.3 | Confident | 88.8 | Confident | 33 Ų | 33 | 43.3 Ų | 43.3 | 34% | 0.34 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 27.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | I43 S47 S48 K49 | I43-G45 PolarHBondContact O-N 2.94Å; G45-S47 PolarHBondContact O-N 3.34Å; G45-S48 PolarHBondContact O-N 3.06Å; G45-S48 PolarHBondContact O-OG 3.29Å; G45-K49 PolarHBondContact O-N 2.74Å |
| 46 | F | 87.9 | Confident | 88.8 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 2% | 0.022 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -46.3 | -38.4 | 176.6 | -179.7 | -87.8 | 0 | 0 | 0 | 113.2 | W39 A41 I43 Q44 S48 K49 I51 K89 N90 S94 | W39-F46 HydrophobicContact CE3-CE2 4.39Å; W39-F46 AromaticContact CZ3-CE2 3.82Å; W39-F46 HydrophobicContact CZ3-CE2 3.82Å; A41-F46 HydrophobicContact CB-CD2 4.08Å; A41-F46 HydrophobicContact CB-CE2 4.09Å; I43-F46 HydrophobicContact CD1-CD2 3.91Å; I43-F46 HydrophobicContact CG1-CB 3.98Å; I43-F46 HydrophobicContact CG1-CD2 3.87Å; I43-F46 HydrophobicContact CG1-CG 4.44Å; I43-F46 PolarHBondContact O-N 2.81Å; Q44-F46 VanDerWaalsContact C-N 3.34Å; Q44-F46 PolarHBondContact O-N 3.38Å; F46-S48 VanDerWaalsContact C-N 3.25Å; F46-S48 PolarHBondContact O-N 2.88Å; F46-K49 WeakPolarHBondContact O-CB 3.34Å; F46-K49 PolarHBondContact O-N 3.07Å; F46-K49 VanDerWaalsContact O-N 3.07Å; F46-I51 HydrophobicContact CE2-CD1 4.05Å; F46-I51 HydrophobicContact CE2-CG1 4.48Å; F46-I51 HydrophobicContact CZ-CD1 4.37Å; F46-I51 HydrophobicContact CZ-CG1 4.33Å; F46-K89 HydrophobicContact CE1-CD 3.94Å; F46-K89 HydrophobicContact CE1-CG 3.56Å; F46-K89 HydrophobicContact CZ-CD 4.34Å; F46-K89 HydrophobicContact CZ-CG 3.98Å; F46-N90 WeakPolarHBondContact CE1-O 3.4Å; F46-S94 WeakPolarHBondContact CE2-O 3.41Å |
| 47 | S | 86.9 | Confident | 88.7 | Confident | 74 Ų | 74 | 44.5 Ų | 44.5 | 52% | 0.517 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -55.9 | -36.3 | 178.3 | 57.1 | 0 | 0 | 0 | 0 | 113.4 | G45 K89 | G45-S47 PolarHBondContact O-N 3.34Å; S47-K89 PolarHBondContact O-NZ 3.47Å |
| 48 | S | 86.3 | Confident | 88.7 | Confident | 79 Ų | 79 | 48.3 Ų | 48.3 | 55% | 0.552 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -90.7 | -3.3 | 179.9 | 67 | 0 | 0 | 0 | 0 | 113.8 | G45 F46 | G45-S48 PolarHBondContact O-N 3.06Å; G45-S48 PolarHBondContact O-OG 3.29Å; F46-S48 VanDerWaalsContact C-N 3.25Å; F46-S48 PolarHBondContact O-N 2.88Å |
| 49 | K | 86.8 | Confident | 88.7 | Confident | 33 Ų | 33 | 54.9 Ų | 54.9 | 14% | 0.143 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -80.1 | 137 | 178.2 | -59.1 | -55.9 | -174.3 | 172.2 | 0 | 111.6 | I43 G45 F46 I51 K89 C115 W116 | I43-K49 HydrophobicContact CD1-CG 3.89Å; G45-K49 PolarHBondContact O-N 2.74Å; F46-K49 WeakPolarHBondContact O-CB 3.34Å; F46-K49 PolarHBondContact O-N 3.07Å; F46-K49 VanDerWaalsContact O-N 3.07Å; K49-I51 HydrophobicContact CB-CD1 3.94Å; K49-K89 PolarHBondContact O-NZ 3Å; K49-C115 HydrophobicContact CB-CB 4.41Å; K49-W116 WeakPolarHBondContact CD-O 3.04Å; K49-W116 PolarHBondContact NZ-O 3.38Å |
| 50 | I | 87.6 | Confident | 88.7 | Confident | 67 Ų | 67 | 59.8 Ų | 59.8 | 34% | 0.344 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 125.8 | 161.5 | -57.8 | 166.5 | 0 | 0 | 0 | 107.3 | H52 H67 F69 C115 | I50-H52 WeakPolarHBondContact CG2-NE2 3.48Å; I50-H67 HydrophobicContact CG2-CB 3.9Å; I50-F69 HydrophobicContact CB-CD2 4.39Å; I50-F69 HydrophobicContact CD1-CD2 4.23Å; I50-F69 HydrophobicContact CG1-CB 4.18Å; I50-F69 HydrophobicContact CG1-CD2 3.3Å; I50-F69 HydrophobicContact CG1-CE2 3.97Å; I50-F69 HydrophobicContact CG1-CG 4.06Å; I50-C115 WeakPolarHBondContact O-CB 3.48Å |
| 51 | I | 89.6 | Confident | 88.7 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 127.8 | 175.8 | -50.5 | -49.8 | 0 | 0 | 0 | 108.2 | W39 F46 K49 H67 V68 K89 C113 C115 | W39-I51 HydrophobicContact CE3-CG2 4.21Å; W39-I51 HydrophobicContact CH2-CD1 4.32Å; W39-I51 HydrophobicContact CZ3-CD1 3.75Å; W39-I51 HydrophobicContact CZ3-CG1 4.38Å; W39-I51 HydrophobicContact CZ3-CG2 4.04Å; F46-I51 HydrophobicContact CE2-CD1 4.05Å; F46-I51 HydrophobicContact CE2-CG1 4.48Å; F46-I51 HydrophobicContact CZ-CD1 4.37Å; F46-I51 HydrophobicContact CZ-CG1 4.33Å; K49-I51 HydrophobicContact CB-CD1 3.94Å; I51-H67 CarbonylContact O-C 3.45Å; I51-H67 WeakPolarHBondContact O-CA 3.24Å; I51-H67 WeakPolarHBondContact O-CB 3.43Å; I51-V68 HydrophobicContact CB-CG1 3.79Å; I51-V68 HydrophobicContact CG1-CG1 4.38Å; I51-V68 PolarHBondContact N-O 2.78Å; I51-V68 PolarHBondContact O-N 3.3Å; I51-K89 HydrophobicContact CG1-CD 3.93Å; I51-C113 WeakPolarHBondContact CG2-SG 3.47Å; I51-C115 HydrophobicContact CD1-CB 3.61Å |
| 52 | H | 89.1 | Confident | 88.9 | Confident | 29 Ų | 29 | 62.9 Ų | 62.9 | 13% | 0.134 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 133.9 | -179.6 | -60.1 | -97.7 | 0 | 0 | 0 | 109.8 | I50 Y54 Y64 C113 A114 W116 | I50-H52 WeakPolarHBondContact CG2-NE2 3.48Å; H52-Y54 HydrophobicContact CB-CD2 4.42Å; H52-Y54 HydrophobicContact CB-CE2 3.48Å; H52-Y54 VanDerWaalsContact CB-CE2 3.48Å; H52-Y64 HydrophobicContact CB-CE2 4.48Å; H52-Y64 AromaticContact ND1-CE2 3.92Å; H52-C113 CarbonylContact O-C 3.51Å; H52-C113 WeakPolarHBondContact O-CA 3.34Å; H52-A114 PolarHBondContact N-O 3.49Å; H52-A114 PolarHBondContact O-N 2.97Å; H52-W116 AromaticContact NE2-CD1 3.81Å; H52-W116 AromaticContact NE2-NE1 3.65Å |
| 53 | W | 90.9 | Very high | 89.1 | Confident | 3 Ų | 3 | 63.2 Ų | 63.2 | 1% | 0.011 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 140.6 | 174.6 | -76.2 | 88.9 | 0 | 0 | 0 | 110.4 | I37 W39 L65 L66 V87 S96 L98 H112 C113 | I37-W53 HydrophobicContact CB-CH2 4.26Å; I37-W53 HydrophobicContact CB-CZ3 4.33Å; I37-W53 HydrophobicContact CG2-CH2 3.97Å; I37-W53 HydrophobicContact CG2-CZ3 3.95Å; W39-W53 HydrophobicContact CB-CH2 4.14Å; W39-W53 HydrophobicContact CB-CZ2 4.22Å; W53-L65 HydrophobicContact CB-CB 4.34Å; W53-L65 WeakPolarHBondContact O-CB 3.3Å; W53-L65 PolarHBondContact O-N 2.86Å; W53-L66 PolarHBondContact N-O 2.8Å; W53-L66 PolarHBondContact O-N 2.87Å; W53-V87 HydrophobicContact CG-CG2 4.28Å; W53-S96 PolarHBondContact NE1-OG 2.97Å; W53-L98 HydrophobicContact CD2-CB 3.82Å; W53-L98 HydrophobicContact CD2-CD2 4.14Å; W53-L98 HydrophobicContact CD2-CG 4.49Å; W53-L98 HydrophobicContact CE3-CB 3.81Å; W53-L98 HydrophobicContact CE3-CD2 3.65Å; W53-L98 HydrophobicContact CE3-CG 4.34Å; W53-L98 HydrophobicContact CH2-CB 3.8Å; W53-L98 HydrophobicContact CZ2-CB 3.82Å; W53-L98 HydrophobicContact CZ3-CB 3.8Å; W53-L98 HydrophobicContact CZ3-CD2 4.06Å; W53-H112 WeakPolarHBondContact CA-O 3.04Å; W53-C113 HydrophobicContact CD2-CB 4.28Å; W53-C113 HydrophobicContact CE3-CB 4.19Å; W53-C113 HydrophobicContact CH2-CB 4.18Å; W53-C113 HydrophobicContact CZ2-CB 4.25Å; W53-C113 HydrophobicContact CZ3-CB 4.14Å |
| 54 | Y | 90.6 | Very high | 89.3 | Confident | 49 Ų | 49 | 67.2 Ų | 67.2 | 19% | 0.192 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 160.6 | 178.9 | -55.2 | -97.5 | 0 | 0 | 0 | 109.1 | H52 L62 E63 Y64 Y111 H112 A114 | H52-Y54 HydrophobicContact CB-CD2 4.42Å; H52-Y54 HydrophobicContact CB-CE2 3.48Å; H52-Y54 VanDerWaalsContact CB-CE2 3.48Å; Y54-L62 HydrophobicContact CD1-CD2 3.78Å; Y54-L62 HydrophobicContact CD1-CG 3.87Å; Y54-L62 HydrophobicContact CD2-CD2 4.33Å; Y54-L62 HydrophobicContact CE1-CD2 4.32Å; Y54-L62 HydrophobicContact CG-CD1 4.28Å; Y54-L62 HydrophobicContact CG-CD2 3.81Å; Y54-L62 HydrophobicContact CG-CG 3.92Å; Y54-E63 VanDerWaalsContact CA-O 3.24Å; Y54-E63 WeakPolarHBondContact CA-O 3.4Å; Y54-E63 WeakPolarHBondContact CB-O 3.45Å; Y54-Y64 HydrophobicContact CD1-CD2 4.17Å; Y54-Y64 AromaticContact CE1-CD2 3.69Å; Y54-Y64 HydrophobicContact CE1-CD2 3.69Å; Y54-Y64 HydrophobicContact CE1-CG 4.42Å; Y54-Y111 WeakPolarHBondContact O-CA 3.37Å; Y54-H112 PolarHBondContact N-O 3.35Å; Y54-H112 PolarHBondContact O-N 3.05Å; Y54-A114 HydrophobicContact CE2-CB 4.08Å |
| 55 | W | 90.8 | Very high | 89.4 | Confident | 20 Ų | 20 | 59.2 Ų | 59.2 | 8% | 0.076 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 157.1 | 165.4 | 61.3 | -0.7 | 0 | 0 | 0 | 110.5 | E63 L65 K81 V109 V110 Y111 | W55-E63 VanDerWaalsContact CD1-O 3.3Å; W55-E63 PolarHBondContact N-O 2.81Å; W55-E63 PolarHBondContact NE1-OE2 3.21Å; W55-E63 PolarHBondContact O-N 2.9Å; W55-L65 HydrophobicContact CB-CD1 4.01Å; W55-L65 HydrophobicContact CB-CD2 4.41Å; W55-L65 HydrophobicContact CB-CG 4.22Å; W55-L65 HydrophobicContact CD2-CD2 3.5Å; W55-L65 HydrophobicContact CD2-CG 4.27Å; W55-L65 HydrophobicContact CE3-CD2 3.88Å; W55-L65 HydrophobicContact CG-CD1 4.22Å; W55-L65 HydrophobicContact CG-CD2 3.72Å; W55-L65 HydrophobicContact CG-CG 3.95Å; W55-L65 HydrophobicContact CZ2-CD2 4.25Å; W55-L65 HydrophobicContact CZ3-CD2 4.37Å; W55-K81 HydrophobicContact CH2-CD 4.26Å; W55-K81 HydrophobicContact CZ2-CD 4.39Å; W55-V109 HydrophobicContact CB-CG2 3.83Å; W55-V109 HydrophobicContact CE3-CG2 4.23Å; W55-V110 CarbonylContact C-O 3.6Å; W55-V110 VanDerWaalsContact CA-O 3.28Å; W55-V110 WeakPolarHBondContact CA-O 3.1Å; W55-Y111 HydrophobicContact CB-CD1 4.14Å; W55-Y111 HydrophobicContact CB-CE1 4.16Å |
| 56 | Q | 92 | Very high | 89.4 | Confident | 77 Ų | 77 | 57.9 Ų | 57.9 | 36% | 0.36 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 110 | 175.5 | -171.9 | 178.9 | -12.1 | 0 | 0 | 108.7 | K60 L62 V109 V110 H112 | Q56-K60 WeakPolarHBondContact CG-O 3.41Å; Q56-K60 PolarHBondContact NE2-O 2.73Å; Q56-L62 HydrophobicContact CB-CD1 4.19Å; Q56-V109 WeakPolarHBondContact O-CB 3.3Å; Q56-V110 HydrophobicContact CB-CB 4.48Å; Q56-V110 PolarHBondContact N-O 2.9Å; Q56-V110 PolarHBondContact O-N 2.93Å; Q56-V110 VanDerWaalsContact O-N 3.15Å; Q56-H112 PolarHBondContact OE1-NE2 2.78Å |
| 57 | K | 90.6 | Very high | 89.3 | Confident | 53 Ų | 53 | 61.3 Ų | 61.3 | 23% | 0.23 | 33% | 0.327 | C | S | . | . | trans | -73.9 | 152.7 | 172.4 | -76.3 | 178.5 | -179.8 | -164.5 | 0 | 110.2 | N59 K60 V109 | K57-N59 PolarHBondContact O-N 2.82Å; K57-K60 HydrophobicContact CB-CB 4.01Å; K57-K60 HydrophobicContact CB-CD 3.95Å; K57-K60 HydrophobicContact CB-CG 4.02Å; K57-K60 HydrophobicContact CD-CD 4.28Å; K57-K60 PolarHBondContact O-N 2.98Å; K57-V109 HydrophobicContact CB-CG1 4.38Å; K57-V109 HydrophobicContact CG-CG1 3.53Å | ||
| 58 | P | 91.4 | Very high | 89.2 | Confident | 96 Ų | 96 | 57.9 Ų | 57.9 | 62% | 0.623 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 129.9 | 173.5 | -25.6 | 33.9 | 0 | 0 | 0 | 110.9 | K60 | P58-K60 PolarHBondContact O-N 3.03Å; P58-K60 VanDerWaalsContact O-N 3.16Å |
| 59 | N | 91.8 | Very high | 88.7 | Confident | 177 Ų | 177 | 59.2 Ų | 59.2 | 95% | 0.947 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 19.3 | 179.8 | -48.8 | -44 | 0 | 0 | 0 | 115.3 | K57 | K57-N59 PolarHBondContact O-N 2.82Š|
| 60 | K | 91.9 | Very high | 87.7 | Confident | 117 Ų | 117 | 62.1 Ų | 62.1 | 51% | 0.509 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -116.9 | 160.7 | 173.1 | -61.8 | -161.6 | 177.9 | -171.4 | 0 | 111.3 | Q56 K57 P58 | Q56-K60 WeakPolarHBondContact CG-O 3.41Å; Q56-K60 PolarHBondContact NE2-O 2.73Å; K57-K60 HydrophobicContact CB-CB 4.01Å; K57-K60 HydrophobicContact CB-CD 3.95Å; K57-K60 HydrophobicContact CB-CG 4.02Å; K57-K60 HydrophobicContact CD-CD 4.28Å; K57-K60 PolarHBondContact O-N 2.98Å; P58-K60 PolarHBondContact O-N 3.03Å; P58-K60 VanDerWaalsContact O-N 3.16Å |
| 61 | G | 91.3 | Very high | 86.3 | Confident | 55 Ų | 55 | 64 Ų | 64 | 57% | 0.567 | 33% | 0.33 | S | S | * | . | trans | -67.9 | 169.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E63 | G61-E63 PolarHBondContact O-N 2.88Š| ||
| 62 | L | 91.9 | Very high | 84.5 | Confident | 95 Ų | 95 | 69.3 Ų | 69.3 | 50% | 0.497 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 123.6 | 173 | -165.5 | 71 | 0 | 0 | 0 | 109.6 | Y54 Q56 H112 | Y54-L62 HydrophobicContact CD1-CD2 3.78Å; Y54-L62 HydrophobicContact CD1-CG 3.87Å; Y54-L62 HydrophobicContact CD2-CD2 4.33Å; Y54-L62 HydrophobicContact CE1-CD2 4.32Å; Y54-L62 HydrophobicContact CG-CD1 4.28Å; Y54-L62 HydrophobicContact CG-CD2 3.81Å; Y54-L62 HydrophobicContact CG-CG 3.92Å; Q56-L62 HydrophobicContact CB-CD1 4.19Å; L62-H112 HydrophobicContact CD1-CB 4.15Å; L62-H112 WeakPolarHBondContact CD1-CD2 3.38Å |
| 63 | E | 90.4 | Very high | 82.8 | Confident | 67 Ų | 67 | 72 Ų | 72 | 31% | 0.313 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 135.8 | 179 | -80.3 | 177.6 | -143.6 | 0 | 0 | 109.4 | Y54 W55 G61 | Y54-E63 VanDerWaalsContact CA-O 3.24Å; Y54-E63 WeakPolarHBondContact CA-O 3.4Å; Y54-E63 WeakPolarHBondContact CB-O 3.45Å; W55-E63 VanDerWaalsContact CD1-O 3.3Å; W55-E63 PolarHBondContact N-O 2.81Å; W55-E63 PolarHBondContact NE1-OE2 3.21Å; W55-E63 PolarHBondContact O-N 2.9Å; G61-E63 PolarHBondContact O-N 2.88Å |
| 64 | Y | 88.1 | Confident | 81 | Confident | 99 Ų | 99 | 73.1 Ų | 73.1 | 39% | 0.388 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 133.3 | 179.8 | 177.3 | -103.7 | 0 | 0 | 0 | 111.4 | H52 Y54 L66 H67 | H52-Y64 HydrophobicContact CB-CE2 4.48Å; H52-Y64 AromaticContact ND1-CE2 3.92Å; Y54-Y64 HydrophobicContact CD1-CD2 4.17Å; Y54-Y64 AromaticContact CE1-CD2 3.69Å; Y54-Y64 HydrophobicContact CE1-CD2 3.69Å; Y54-Y64 HydrophobicContact CE1-CG 4.42Å; Y64-L66 WeakPolarHBondContact OH-CA 3.4Å; Y64-H67 VanDerWaalsContact OH-CB 3.3Å; Y64-H67 WeakPolarHBondContact OH-CB 3.38Å; Y64-H67 VanDerWaalsContact OH-CG 3.32Å; Y64-H67 PolarHBondContact OH-N 3.36Å; Y64-H67 PolarHBondContact OH-ND1 3.1Å |
| 65 | L | 85.7 | Confident | 79.1 | Confident | 15 Ų | 15 | 79.2 Ų | 79.2 | 8% | 0.079 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | -67.5 | 174.4 | -71.6 | 176.2 | 0 | 0 | 0 | 111.1 | W53 W55 L85 L98 Y111 | W53-L65 HydrophobicContact CB-CB 4.34Å; W53-L65 WeakPolarHBondContact O-CB 3.3Å; W53-L65 PolarHBondContact O-N 2.86Å; W55-L65 HydrophobicContact CB-CD1 4.01Å; W55-L65 HydrophobicContact CB-CD2 4.41Å; W55-L65 HydrophobicContact CB-CG 4.22Å; W55-L65 HydrophobicContact CD2-CD2 3.5Å; W55-L65 HydrophobicContact CD2-CG 4.27Å; W55-L65 HydrophobicContact CE3-CD2 3.88Å; W55-L65 HydrophobicContact CG-CD1 4.22Å; W55-L65 HydrophobicContact CG-CD2 3.72Å; W55-L65 HydrophobicContact CG-CG 3.95Å; W55-L65 HydrophobicContact CZ2-CD2 4.25Å; W55-L65 HydrophobicContact CZ3-CD2 4.37Å; L65-L85 HydrophobicContact CD1-CD1 4.39Å; L65-L85 HydrophobicContact CD2-CD1 3.83Å; L65-L98 HydrophobicContact CD1-CD2 4.13Å; L65-Y111 HydrophobicContact CD1-CD1 3.82Å; L65-Y111 HydrophobicContact CD1-CE1 3.94Å |
| 66 | L | 85.9 | Confident | 77.3 | Confident | 5 Ų | 5 | 79.8 Ų | 79.8 | 3% | 0.026 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.2 | 172.6 | -175 | 66.3 | 92.8 | 0 | 0 | 0 | 110.5 | W53 Y64 A74 D76 L85 V87 | W53-L66 PolarHBondContact N-O 2.8Å; W53-L66 PolarHBondContact O-N 2.87Å; Y64-L66 WeakPolarHBondContact OH-CA 3.4Å; L66-A74 HydrophobicContact CD1-CB 4.13Å; L66-D76 HydrophobicContact CB-CB 3.8Å; L66-L85 HydrophobicContact CD2-CB 4.1Å; L66-V87 HydrophobicContact CD1-CB 3.55Å; L66-V87 HydrophobicContact CD1-CG1 4.23Å; L66-V87 HydrophobicContact CD1-CG2 3.26Å; L66-V87 HydrophobicContact CD2-CG2 3.98Å; L66-V87 HydrophobicContact CG-CG2 3.96Å |
| 67 | H | 85.8 | Confident | 75 | Confident | 78 Ų | 78 | 82.2 Ų | 82.2 | 36% | 0.361 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 154.6 | 176.9 | 69 | -72 | 0 | 0 | 0 | 111.5 | I50 I51 Y64 A74 | I50-H67 HydrophobicContact CG2-CB 3.9Å; I51-H67 CarbonylContact O-C 3.45Å; I51-H67 WeakPolarHBondContact O-CA 3.24Å; I51-H67 WeakPolarHBondContact O-CB 3.43Å; Y64-H67 VanDerWaalsContact OH-CB 3.3Å; Y64-H67 WeakPolarHBondContact OH-CB 3.38Å; Y64-H67 VanDerWaalsContact OH-CG 3.32Å; Y64-H67 PolarHBondContact OH-N 3.36Å; Y64-H67 PolarHBondContact OH-ND1 3.1Å; H67-A74 WeakPolarHBondContact O-CB 3.45Å |
| 68 | V | 84.5 | Confident | 72.8 | Confident | 1 Ų | 1 | 83.1 Ų | 83.1 | 1% | 0.006 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 124.2 | 176.2 | 61.1 | 0 | 0 | 0 | 0 | 110.4 | I51 L70 A74 V87 K89 | I51-V68 HydrophobicContact CB-CG1 3.79Å; I51-V68 HydrophobicContact CG1-CG1 4.38Å; I51-V68 PolarHBondContact N-O 2.78Å; I51-V68 PolarHBondContact O-N 3.3Å; V68-L70 WeakPolarHBondContact CG2-O 3.03Å; V68-A74 HydrophobicContact CB-CB 4.38Å; V68-V87 HydrophobicContact CB-CG1 3.75Å; V68-V87 HydrophobicContact CG1-CG1 3.46Å; V68-V87 VanDerWaalsContact CG1-CG1 3.46Å; V68-V87 HydrophobicContact CG2-CG1 4.42Å; V68-K89 HydrophobicContact CG1-CB 4.12Å; V68-K89 HydrophobicContact CG1-CD 4.48Å; V68-K89 HydrophobicContact CG2-CB 3.89Å |
| 69 | F | 75.1 | Confident | 70.6 | Confident | 107 Ų | 107 | 82.3 Ų | 82.3 | 47% | 0.469 | 47% | 0.471 | S | S | . | . | trans | -103 | -41.8 | 178.1 | -179 | -122 | 0 | 0 | 0 | 113.5 | I50 K89 | I50-F69 HydrophobicContact CB-CD2 4.39Å; I50-F69 HydrophobicContact CD1-CD2 4.23Å; I50-F69 HydrophobicContact CG1-CB 4.18Å; I50-F69 HydrophobicContact CG1-CD2 3.3Å; I50-F69 HydrophobicContact CG1-CE2 3.97Å; I50-F69 HydrophobicContact CG1-CG 4.06Å; F69-K89 WeakPolarHBondContact O-CE 3.37Å; F69-K89 PolarHBondContact O-NZ 2.61Å | ||
| 70 | L | 67 | Low | 68.4 | Low | 95 Ų | 95 | 77 Ų | 77 | 50% | 0.497 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -109.2 | 174.9 | 177.2 | -68.8 | 172.5 | 0 | 0 | 0 | 110.9 | V68 I72 | V68-L70 WeakPolarHBondContact CG2-O 3.03Å; L70-I72 HydrophobicContact CB-CB 4.46Å; L70-I72 HydrophobicContact CB-CD1 4.31Å; L70-I72 HydrophobicContact CB-CG1 4.27Å; L70-I72 HydrophobicContact CD1-CD1 4.29Å; L70-I72 PolarHBondContact O-N 3.4Å |
| 71 | T | 57.4 | Low | 66.6 | Low | 106 Ų | 106 | 77.5 Ų | 77.5 | 65% | 0.65 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -62.3 | 23.1 | 167.3 | 19.7 | 0 | 0 | 0 | 0 | 113.4 | K89 | T71-K89 WeakPolarHBondContact CG2-O 2.91Š|
| 72 | I | 52.9 | Low | 64.9 | Low | 112 Ų | 112 | 76.7 Ų | 76.7 | 57% | 0.574 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -114 | 137.1 | -176.5 | -60.2 | 171.2 | 0 | 0 | 0 | 107.3 | L70 A74 | L70-I72 HydrophobicContact CB-CB 4.46Å; L70-I72 HydrophobicContact CB-CD1 4.31Å; L70-I72 HydrophobicContact CB-CG1 4.27Å; L70-I72 HydrophobicContact CD1-CD1 4.29Å; L70-I72 PolarHBondContact O-N 3.4Å; I72-A74 PolarHBondContact O-N 2.84Å; I72-A74 VanDerWaalsContact O-N 3.1Å |
| 73 | S | 53.5 | Low | 63.7 | Low | 85 Ų | 85 | 81.2 Ų | 81.2 | 59% | 0.594 | 46% | 0.46 | S | S | * | . | trans | -55.5 | 115.3 | 174.5 | 55 | 0 | 0 | 0 | 0 | 110.1 | Q75 V87 | S73-Q75 PolarHBondContact O-N 3.46Å; S73-V87 VanDerWaalsContact CA-O 3.31Å; S73-V87 WeakPolarHBondContact CA-O 3.44Å | ||
| 74 | A | 52.1 | Low | 63.5 | Low | 27 Ų | 27 | 79.7 Ų | 79.7 | 22% | 0.223 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 123.3 | 172 | 0 | 0 | 0 | 0 | 0 | 109.3 | L66 H67 V68 I72 | L66-A74 HydrophobicContact CD1-CB 4.13Å; H67-A74 WeakPolarHBondContact O-CB 3.45Å; V68-A74 HydrophobicContact CB-CB 4.38Å; I72-A74 PolarHBondContact O-N 2.84Å; I72-A74 VanDerWaalsContact O-N 3.1Å |
| 75 | Q | 50.8 | Low | 63.4 | Low | 177 Ų | 177 | 76 Ų | 76 | 83% | 0.827 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -103.7 | 116.4 | 171.9 | -154.7 | 169.5 | 13.4 | 0 | 0 | 106.5 | S73 | S73-Q75 PolarHBondContact O-N 3.46Š|
| 76 | D | 52.2 | Low | 63.4 | Low | 31 Ų | 31 | 78.7 Ų | 78.7 | 17% | 0.166 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -86.7 | 154.7 | -164.5 | 176.5 | 53.7 | 0 | 0 | 0 | 114.9 | L66 S78 T82 | L66-D76 HydrophobicContact CB-CB 3.8Å; D76-S78 WeakPolarHBondContact OD2-CB 2.95Å; D76-S78 PolarHBondContact OD2-N 2.87Å; D76-T82 HydrophobicContact CB-CG2 3.72Å |
| 77 | C | 45.5 | Very low | 63.5 | Low | 128 Ų | 128 | 78.5 Ų | 78.5 | 87% | 0.865 | 45% | 0.45 | S | S | * | . | trans | -85.3 | 4.4 | -177.3 | -58.8 | 0 | 0 | 0 | 0 | 114.5 | G79 | C77-G79 PolarHBondContact O-N 2.97Š| ||
| 78 | S | 44.3 | Very low | 63.6 | Low | 73 Ų | 73 | 77.8 Ų | 77.8 | 51% | 0.51 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -94.2 | 40.2 | -173.1 | -171.3 | 0 | 0 | 0 | 0 | 116.1 | D76 G80 | D76-S78 WeakPolarHBondContact OD2-CB 2.95Å; D76-S78 PolarHBondContact OD2-N 2.87Å; S78-G80 PolarHBondContact O-N 2.84Å |
| 79 | G | 43.8 | Very low | 63.9 | Low | 79 Ų | 79 | 78.2 Ų | 78.2 | 81% | 0.814 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 55.4 | 158.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | C77 | C77-G79 PolarHBondContact O-N 2.97Š|
| 80 | G | 46.8 | Very low | 64.6 | Low | 66 Ų | 66 | 76.2 Ų | 76.2 | 68% | 0.68 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 114.4 | -18.9 | 156.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | S78 T82 | S78-G80 PolarHBondContact O-N 2.84Å; G80-T82 PolarHBondContact O-N 3.34Å |
| 81 | K | 52.8 | Low | 65.6 | Low | 127 Ų | 127 | 73.6 Ų | 73.6 | 55% | 0.552 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -74.7 | 1.6 | 176.9 | -67.8 | -179.9 | -179.1 | 171.6 | 0 | 114.3 | W55 | W55-K81 HydrophobicContact CH2-CD 4.26Å; W55-K81 HydrophobicContact CZ2-CD 4.39Å |
| 82 | T | 56.7 | Low | 67.1 | Low | 37 Ų | 37 | 77.2 Ų | 77.2 | 23% | 0.227 | 45% | 0.451 | C | S | . | . | G | 310 helix | trans | -100.4 | -11.1 | -155.8 | 56.1 | 0 | 0 | 0 | 0 | 115.9 | D76 G80 K84 | D76-T82 HydrophobicContact CB-CG2 3.72Å; G80-T82 PolarHBondContact O-N 3.34Å; T82-K84 PolarHBondContact O-N 2.94Å |
| 83 | K | 67.1 | Low | 68.9 | Low | 191 Ų | 191 | 75.1 Ų | 75.1 | 83% | 0.83 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -68.1 | -21.1 | 172.6 | -73.1 | -173.4 | 179 | -179.8 | 0 | 113 | ||
| 84 | K | 84.8 | Confident | 70.6 | Confident | 35 Ų | 35 | 72.4 Ų | 72.4 | 15% | 0.152 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -86.2 | -31.7 | -175.3 | -164.1 | 178.3 | -175.4 | 179 | 0 | 112.7 | T82 I100 K101 F102 E104 D107 | T82-K84 PolarHBondContact O-N 2.94Å; K84-I100 HydrophobicContact CG-CG2 4.37Å; K84-K101 WeakPolarHBondContact CE-O 3.48Å; K84-K101 HydrophobicContact CG-CB 4.4Å; K84-K101 WeakPolarHBondContact CG-O 3.44Å; K84-K101 WeakPolarHBondContact O-CB 3.46Å; K84-K101 PolarHBondContact O-N 2.81Å; K84-F102 WeakPolarHBondContact CE-O 3.48Å; K84-F102 PolarHBondContact NZ-O 2.82Å; K84-E104 IonicContact NZ-OE2 2.56Å; K84-E104 PolarHBondContact NZ-OE2 3.2Å; K84-D107 WeakPolarHBondContact CE-OD2 3.49Å; K84-D107 IonicContact NZ-OD1 3.75Å; K84-D107 PolarHBondContact NZ-OD1 2.78Å; K84-D107 IonicContact NZ-OD2 2.9Å; K84-D107 PolarHBondContact NZ-OD2 2.8Å |
| 85 | L | 86.2 | Confident | 72.5 | Confident | 22 Ų | 22 | 72.2 Ų | 72.2 | 12% | 0.115 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 131.8 | -173.4 | -56.9 | 179.8 | 0 | 0 | 0 | 110.9 | L65 L66 L98 K99 I100 | L65-L85 HydrophobicContact CD1-CD1 4.39Å; L65-L85 HydrophobicContact CD2-CD1 3.83Å; L66-L85 HydrophobicContact CD2-CB 4.1Å; L85-L98 HydrophobicContact CB-CD1 4.31Å; L85-L98 HydrophobicContact CD2-CD1 4.36Å; L85-K99 CarbonylContact C-O 3.57Å; L85-K99 WeakPolarHBondContact CA-O 3.42Å; L85-I100 HydrophobicContact CD2-CB 4.08Å; L85-I100 HydrophobicContact CD2-CG1 3.66Å; L85-I100 HydrophobicContact CD2-CG2 3.9Å |
| 86 | E | 86.8 | Confident | 74.5 | Confident | 70 Ų | 70 | 63.8 Ų | 63.8 | 33% | 0.327 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 131.3 | 172.2 | -60.6 | 178.7 | 153.3 | 0 | 0 | 108.5 | K99 K101 | E86-K99 HydrophobicContact CB-CB 4.26Å; E86-K99 PolarHBondContact N-O 2.85Å; E86-K99 PolarHBondContact O-N 3.24Å; E86-K99 VanDerWaalsContact OE2-CD 3.27Å; E86-K99 WeakPolarHBondContact OE2-CD 3.19Å; E86-K99 WeakPolarHBondContact OE2-CE 3.36Å; E86-K99 IonicContact OE2-NZ 2.61Å; E86-K99 PolarHBondContact OE2-NZ 3.07Å; E86-K101 VanDerWaalsContact CD-NZ 3.31Å; E86-K101 WeakPolarHBondContact OE1-CE 3.4Å; E86-K101 IonicContact OE1-NZ 2.74Å; E86-K101 PolarHBondContact OE1-NZ 2.89Å; E86-K101 VanDerWaalsContact OE2-CE 3.28Å; E86-K101 WeakPolarHBondContact OE2-CE 3.31Å; E86-K101 IonicContact OE2-NZ 3.49Å |
| 87 | V | 87.5 | Confident | 76.4 | Confident | 2 Ų | 2 | 63.6 Ų | 63.6 | 1% | 0.012 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 138.1 | 174.1 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | W53 L66 V68 S73 T97 L98 | W53-V87 HydrophobicContact CG-CG2 4.28Å; L66-V87 HydrophobicContact CD1-CB 3.55Å; L66-V87 HydrophobicContact CD1-CG1 4.23Å; L66-V87 HydrophobicContact CD1-CG2 3.26Å; L66-V87 HydrophobicContact CD2-CG2 3.98Å; L66-V87 HydrophobicContact CG-CG2 3.96Å; V68-V87 HydrophobicContact CB-CG1 3.75Å; V68-V87 HydrophobicContact CG1-CG1 3.46Å; V68-V87 VanDerWaalsContact CG1-CG1 3.46Å; V68-V87 HydrophobicContact CG2-CG1 4.42Å; S73-V87 VanDerWaalsContact CA-O 3.31Å; S73-V87 WeakPolarHBondContact CA-O 3.44Å; V87-T97 CarbonylContact C-O 3.58Å; V87-T97 VanDerWaalsContact CA-O 3.3Å; V87-T97 WeakPolarHBondContact CA-O 3.09Å; V87-L98 HydrophobicContact CG2-CB 4.13Å; V87-L98 HydrophobicContact CG2-CD1 3.36Å; V87-L98 HydrophobicContact CG2-CG 4.35Å |
| 88 | S | 88.3 | Confident | 78.5 | Confident | 62 Ų | 62 | 57.5 Ų | 57.5 | 43% | 0.434 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 158.7 | 170 | 67.4 | 0 | 0 | 0 | 0 | 111.3 | S96 T97 | S88-S96 CarbonylContact O-C 3.56Å; S88-S96 VanDerWaalsContact O-CA 3.27Å; S88-S96 WeakPolarHBondContact O-CA 3.27Å; S88-S96 PolarHBondContact O-OG 3.42Å; S88-T97 PolarHBondContact N-O 3.1Å; S88-T97 PolarHBondContact O-N 3.12Å |
| 89 | K | 89.8 | Confident | 80.8 | Confident | 10 Ų | 10 | 56.8 Ų | 56.8 | 4% | 0.043 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 129.5 | 175.2 | -169.9 | 174 | 83.7 | 166 | 0 | 108.7 | F46 S47 K49 I51 V68 F69 T71 T95 | F46-K89 HydrophobicContact CE1-CD 3.94Å; F46-K89 HydrophobicContact CE1-CG 3.56Å; F46-K89 HydrophobicContact CZ-CD 4.34Å; F46-K89 HydrophobicContact CZ-CG 3.98Å; S47-K89 PolarHBondContact O-NZ 3.47Å; K49-K89 PolarHBondContact O-NZ 3Å; I51-K89 HydrophobicContact CG1-CD 3.93Å; V68-K89 HydrophobicContact CG1-CB 4.12Å; V68-K89 HydrophobicContact CG1-CD 4.48Å; V68-K89 HydrophobicContact CG2-CB 3.89Å; F69-K89 WeakPolarHBondContact O-CE 3.37Å; F69-K89 PolarHBondContact O-NZ 2.61Å; T71-K89 WeakPolarHBondContact CG2-O 2.91Å; K89-T95 CarbonylContact C-O 3.58Å; K89-T95 WeakPolarHBondContact CA-O 2.85Å |
| 90 | N | 90.2 | Very high | 83 | Confident | 66 Ų | 66 | 53.1 Ų | 53.1 | 35% | 0.353 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 111.1 | 174.9 | -174.7 | -14.2 | 0 | 0 | 0 | 109.4 | F46 H92 T93 S94 T95 | F46-N90 WeakPolarHBondContact CE1-O 3.4Å; N90-H92 WeakPolarHBondContact OD1-CB 3.14Å; N90-H92 PolarHBondContact OD1-N 3.24Å; N90-T93 WeakPolarHBondContact CB-OG1 3.42Å; N90-T93 VanDerWaalsContact CG-OG1 3.32Å; N90-T93 PolarHBondContact ND2-OG1 2.92Å; N90-S94 WeakPolarHBondContact O-CA 3.44Å; N90-S94 PolarHBondContact O-N 3.03Å; N90-S94 VanDerWaalsContact O-N 3.08Å; N90-T95 PolarHBondContact N-O 2.64Å; N90-T95 PolarHBondContact O-N 2.76Å |
| 91 | A | 88.3 | Confident | 85.1 | Confident | 39 Ų | 39 | 52.3 Ų | 52.3 | 32% | 0.322 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -30.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 92 | H | 88.3 | Confident | 86.8 | Confident | 182 Ų | 182 | 52.4 Ų | 52.4 | 84% | 0.843 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -40.2 | -178.3 | -65 | 90.4 | 0 | 0 | 0 | 111.7 | N90 | N90-H92 WeakPolarHBondContact OD1-CB 3.14Å; N90-H92 PolarHBondContact OD1-N 3.24Å |
| 93 | T | 90.1 | Very high | 88.5 | Confident | 68 Ų | 68 | 51.8 Ų | 51.8 | 42% | 0.417 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 1.4 | -179.7 | 64.1 | 0 | 0 | 0 | 0 | 112.9 | N90 T95 | N90-T93 WeakPolarHBondContact CB-OG1 3.42Å; N90-T93 VanDerWaalsContact CG-OG1 3.32Å; N90-T93 PolarHBondContact ND2-OG1 2.92Å; T93-T95 VanDerWaalsContact C-N 3.25Å; T93-T95 WeakPolarHBondContact CB-OG1 3.41Å; T93-T95 PolarHBondContact O-N 2.88Å; T93-T95 PolarHBondContact O-OG1 2.8Å; T93-T95 WeakPolarHBondContact OG1-CB 3.29Å; T93-T95 PolarHBondContact OG1-OG1 2.81Å |
| 94 | S | 90.7 | Very high | 89.6 | Confident | 29 Ų | 29 | 47.8 Ų | 47.8 | 20% | 0.203 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | 48.8 | -172.3 | -57.3 | 0 | 0 | 0 | 0 | 112.8 | K40 A41 F46 N90 | K40-S94 WeakPolarHBondContact CA-O 3.43Å; A41-S94 PolarHBondContact N-O 2.94Å; A41-S94 WeakPolarHBondContact O-CB 3.09Å; F46-S94 WeakPolarHBondContact CE2-O 3.41Å; N90-S94 WeakPolarHBondContact O-CA 3.44Å; N90-S94 PolarHBondContact O-N 3.03Å; N90-S94 VanDerWaalsContact O-N 3.08Å |
| 95 | T | 91.8 | Very high | 89.8 | Confident | 22 Ų | 22 | 54.1 Ų | 54.1 | 14% | 0.135 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 139 | -173.3 | -48 | 0 | 0 | 0 | 0 | 110.8 | W39 K89 N90 T93 | W39-T95 CarbonylContact O-C 3.44Å; W39-T95 VanDerWaalsContact O-CA 3.29Å; W39-T95 WeakPolarHBondContact O-CA 3.38Å; K89-T95 CarbonylContact C-O 3.58Å; K89-T95 WeakPolarHBondContact CA-O 2.85Å; N90-T95 PolarHBondContact N-O 2.64Å; N90-T95 PolarHBondContact O-N 2.76Å; T93-T95 VanDerWaalsContact C-N 3.25Å; T93-T95 WeakPolarHBondContact CB-OG1 3.41Å; T93-T95 PolarHBondContact O-N 2.88Å; T93-T95 PolarHBondContact O-OG1 2.8Å; T93-T95 WeakPolarHBondContact OG1-CB 3.29Å; T93-T95 PolarHBondContact OG1-OG1 2.81Å |
| 96 | S | 91.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 138.4 | 162.1 | -172.5 | 0 | 0 | 0 | 0 | 109.5 | S38 W39 W53 S88 | S38-S96 CarbonylContact C-O 3.56Å; S38-S96 WeakPolarHBondContact CA-O 3.28Å; W39-S96 PolarHBondContact N-O 3.22Å; W39-S96 PolarHBondContact O-N 2.86Å; W53-S96 PolarHBondContact NE1-OG 2.97Å; S88-S96 CarbonylContact O-C 3.56Å; S88-S96 VanDerWaalsContact O-CA 3.27Å; S88-S96 WeakPolarHBondContact O-CA 3.27Å; S88-S96 PolarHBondContact O-OG 3.42Å |
| 97 | T | 92.1 | Very high | 89.9 | Confident | 27 Ų | 27 | 55.8 Ų | 55.8 | 17% | 0.166 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 123.3 | 179.9 | -56.7 | 0 | 0 | 0 | 0 | 109.9 | H36 I37 S38 V87 S88 | H36-T97 HydrophobicContact CB-CG2 4.18Å; I37-T97 CarbonylContact O-C 3.45Å; I37-T97 VanDerWaalsContact O-CA 3.25Å; I37-T97 WeakPolarHBondContact O-CA 3.31Å; S38-T97 PolarHBondContact OG-OG1 2.84Å; V87-T97 CarbonylContact C-O 3.58Å; V87-T97 VanDerWaalsContact CA-O 3.3Å; V87-T97 WeakPolarHBondContact CA-O 3.09Å; S88-T97 PolarHBondContact N-O 3.1Å; S88-T97 PolarHBondContact O-N 3.12Å |
| 98 | L | 91.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 120.6 | 168.6 | 174.5 | 66 | 0 | 0 | 0 | 109.3 | H36 I37 W53 L65 L85 V87 I100 Y111 | H36-L98 CarbonylContact C-O 3.49Å; H36-L98 WeakPolarHBondContact CA-O 3.33Å; I37-L98 HydrophobicContact CB-CB 4.4Å; I37-L98 HydrophobicContact CD1-CD2 4.43Å; I37-L98 PolarHBondContact N-O 3.43Å; I37-L98 PolarHBondContact O-N 3.18Å; W53-L98 HydrophobicContact CD2-CB 3.82Å; W53-L98 HydrophobicContact CD2-CD2 4.14Å; W53-L98 HydrophobicContact CD2-CG 4.49Å; W53-L98 HydrophobicContact CE3-CB 3.81Å; W53-L98 HydrophobicContact CE3-CD2 3.65Å; W53-L98 HydrophobicContact CE3-CG 4.34Å; W53-L98 HydrophobicContact CH2-CB 3.8Å; W53-L98 HydrophobicContact CZ2-CB 3.82Å; W53-L98 HydrophobicContact CZ3-CB 3.8Å; W53-L98 HydrophobicContact CZ3-CD2 4.06Å; L65-L98 HydrophobicContact CD1-CD2 4.13Å; L85-L98 HydrophobicContact CB-CD1 4.31Å; L85-L98 HydrophobicContact CD2-CD1 4.36Å; V87-L98 HydrophobicContact CG2-CB 4.13Å; V87-L98 HydrophobicContact CG2-CD1 3.36Å; V87-L98 HydrophobicContact CG2-CG 4.35Å; L98-I100 HydrophobicContact CD2-CG1 4.43Å; L98-I100 HydrophobicContact CG-CG1 4.24Å; L98-Y111 HydrophobicContact CD2-CD1 3.47Å; L98-Y111 VanDerWaalsContact CD2-CD1 3.47Å; L98-Y111 HydrophobicContact CD2-CE1 3.92Å; L98-Y111 HydrophobicContact CD2-CG 4.23Å |
| 99 | K | 91.3 | Very high | 90.3 | Very high | 58 Ų | 58 | 61.1 Ų | 61.1 | 25% | 0.252 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 127.3 | 172.9 | 177.8 | -175.3 | 171 | -162.1 | 0 | 109.5 | A35 L85 E86 | A35-K99 CarbonylContact O-C 3.56Å; A35-K99 VanDerWaalsContact O-CA 3.29Å; A35-K99 WeakPolarHBondContact O-CA 3.45Å; L85-K99 CarbonylContact C-O 3.57Å; L85-K99 WeakPolarHBondContact CA-O 3.42Å; E86-K99 HydrophobicContact CB-CB 4.26Å; E86-K99 PolarHBondContact N-O 2.85Å; E86-K99 PolarHBondContact O-N 3.24Å; E86-K99 VanDerWaalsContact OE2-CD 3.27Å; E86-K99 WeakPolarHBondContact OE2-CD 3.19Å; E86-K99 WeakPolarHBondContact OE2-CE 3.36Å; E86-K99 IonicContact OE2-NZ 2.61Å; E86-K99 PolarHBondContact OE2-NZ 3.07Å |
| 100 | I | 90.9 | Very high | 90.4 | Very high | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 115.8 | 177.5 | -52.6 | 157.7 | 0 | 0 | 0 | 106.5 | S34 A35 I37 K84 L85 L98 L103 Y111 | S34-I100 CarbonylContact C-O 3.59Å; S34-I100 WeakPolarHBondContact CA-O 3.38Å; S34-I100 WeakPolarHBondContact CB-O 3.45Å; A35-I100 PolarHBondContact N-O 2.99Å; A35-I100 PolarHBondContact O-N 3.15Å; I37-I100 HydrophobicContact CD1-CD1 3.73Å; I37-I100 HydrophobicContact CG1-CD1 4.39Å; K84-I100 HydrophobicContact CG-CG2 4.37Å; L85-I100 HydrophobicContact CD2-CB 4.08Å; L85-I100 HydrophobicContact CD2-CG1 3.66Å; L85-I100 HydrophobicContact CD2-CG2 3.9Å; L98-I100 HydrophobicContact CD2-CG1 4.43Å; L98-I100 HydrophobicContact CG-CG1 4.24Å; I100-L103 HydrophobicContact CB-CD2 4.13Å; I100-L103 HydrophobicContact CG2-CD2 3.74Å; I100-Y111 HydrophobicContact CD1-CD1 4.48Å; I100-Y111 HydrophobicContact CD1-CD2 4.45Å; I100-Y111 HydrophobicContact CD1-CE1 3.78Å; I100-Y111 HydrophobicContact CD1-CE2 3.76Å; I100-Y111 WeakPolarHBondContact CD1-OH 3.31Å |
| 101 | K | 89.8 | Confident | 90.5 | Very high | 49 Ų | 49 | 62.6 Ų | 62.6 | 21% | 0.213 | 31% | 0.312 | C | S | . | . | trans | -83.1 | 157.9 | 175.7 | -62.7 | 176.4 | -177.8 | 168.3 | 0 | 110.3 | K84 E86 L103 | K84-K101 WeakPolarHBondContact CE-O 3.48Å; K84-K101 HydrophobicContact CG-CB 4.4Å; K84-K101 WeakPolarHBondContact CG-O 3.44Å; K84-K101 WeakPolarHBondContact O-CB 3.46Å; K84-K101 PolarHBondContact O-N 2.81Å; E86-K101 VanDerWaalsContact CD-NZ 3.31Å; E86-K101 WeakPolarHBondContact OE1-CE 3.4Å; E86-K101 IonicContact OE1-NZ 2.74Å; E86-K101 PolarHBondContact OE1-NZ 2.89Å; E86-K101 VanDerWaalsContact OE2-CE 3.28Å; E86-K101 WeakPolarHBondContact OE2-CE 3.31Å; E86-K101 IonicContact OE2-NZ 3.49Å; K101-L103 PolarHBondContact O-N 3.06Å | ||
| 102 | F | 89.8 | Confident | 90.6 | Very high | 129 Ų | 129 | 63.9 Ų | 63.9 | 57% | 0.566 | 31% | 0.311 | S | S | * | . | S | Bend | trans | 45.7 | 60.8 | 169.9 | -49.1 | -66.7 | 0 | 0 | 0 | 113.4 | K33 K84 E104 | K33-F102 PolarHBondContact O-N 3.37Å; K84-F102 WeakPolarHBondContact CE-O 3.48Å; K84-F102 PolarHBondContact NZ-O 2.82Å; F102-E104 PolarHBondContact O-N 3.5Å |
| 103 | L | 90.7 | Very high | 90.8 | Very high | 25 Ų | 25 | 56.3 Ų | 56.3 | 13% | 0.131 | 28% | 0.278 | C | S | . | . | trans | -54.4 | 134.2 | -176.4 | -74.5 | 166.3 | 0 | 0 | 0 | 112.4 | R29 A31 N32 K33 A35 I100 K101 D107 | R29-L103 HydrophobicContact CB-CD1 3.46Å; R29-L103 VanDerWaalsContact CB-CD1 3.46Å; R29-L103 HydrophobicContact CG-CD1 4.28Å; A31-L103 WeakPolarHBondContact CA-O 3.45Å; N32-L103 PolarHBondContact N-O 3.49Å; K33-L103 WeakPolarHBondContact O-CG 3.41Å; K33-L103 PolarHBondContact O-N 2.84Å; A35-L103 HydrophobicContact CB-CD1 3.79Å; A35-L103 HydrophobicContact CB-CD2 4.18Å; A35-L103 HydrophobicContact CB-CG 4.37Å; I100-L103 HydrophobicContact CB-CD2 4.13Å; I100-L103 HydrophobicContact CG2-CD2 3.74Å; K101-L103 PolarHBondContact O-N 3.06Å; L103-D107 WeakPolarHBondContact CA-OD2 3.27Å; L103-D107 HydrophobicContact CD2-CB 4.02Å | ||
| 104 | E | 90.6 | Very high | 90.8 | Very high | 107 Ų | 107 | 55 Ų | 55 | 50% | 0.5 | 28% | 0.275 | S | S | . | . | trans | -127 | 168 | 177.4 | -66.3 | 165.4 | 153 | 0 | 0 | 109.3 | K84 F102 E106 D107 | K84-E104 IonicContact NZ-OE2 2.56Å; K84-E104 PolarHBondContact NZ-OE2 3.2Å; F102-E104 PolarHBondContact O-N 3.5Å; E104-E106 WeakPolarHBondContact CB-OE2 3.25Å; E104-E106 PolarHBondContact O-N 3.5Å; E104-D107 PolarHBondContact N-OD2 3.31Å; E104-D107 WeakPolarHBondContact O-CB 3.29Å; E104-D107 PolarHBondContact O-N 3.08Å | ||
| 105 | K | 88.8 | Confident | 90.7 | Very high | 168 Ų | 168 | 55 Ų | 55 | 73% | 0.73 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -62.1 | -28.8 | -178.3 | -169.1 | 174 | -178.3 | 178.6 | 0 | 112 | D107 E108 | K105-D107 PolarHBondContact O-N 3.47Å; K105-E108 VanDerWaalsContact O-CB 3.32Å; K105-E108 WeakPolarHBondContact O-CB 3.48Å; K105-E108 PolarHBondContact O-N 3.02Å |
| 106 | E | 87.7 | Confident | 90.4 | Very high | 111 Ų | 111 | 63 Ų | 63 | 52% | 0.519 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -69.1 | -17 | 178.6 | -64.6 | 68.5 | -151.2 | 0 | 0 | 113.4 | E104 E108 | E104-E106 WeakPolarHBondContact CB-OE2 3.25Å; E104-E106 PolarHBondContact O-N 3.5Å; E106-E108 VanDerWaalsContact C-N 3.35Å |
| 107 | D | 88.7 | Confident | 89.7 | Confident | 16 Ų | 16 | 66.7 Ų | 66.7 | 9% | 0.086 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -88.4 | -3.3 | 176.6 | -50.6 | -46.5 | 0 | 0 | 0 | 112.8 | K84 L103 E104 K105 V109 Y111 | K84-D107 WeakPolarHBondContact CE-OD2 3.49Å; K84-D107 IonicContact NZ-OD1 3.75Å; K84-D107 PolarHBondContact NZ-OD1 2.78Å; K84-D107 IonicContact NZ-OD2 2.9Å; K84-D107 PolarHBondContact NZ-OD2 2.8Å; L103-D107 WeakPolarHBondContact CA-OD2 3.27Å; L103-D107 HydrophobicContact CD2-CB 4.02Å; E104-D107 PolarHBondContact N-OD2 3.31Å; E104-D107 WeakPolarHBondContact O-CB 3.29Å; E104-D107 PolarHBondContact O-N 3.08Å; K105-D107 PolarHBondContact O-N 3.47Å; D107-V109 PolarHBondContact O-N 2.94Å; D107-Y111 WeakPolarHBondContact O-CE2 3.09Å; D107-Y111 PolarHBondContact O-OH 2.97Å |
| 108 | E | 91.2 | Very high | 88.6 | Confident | 149 Ų | 149 | 76.5 Ų | 76.5 | 70% | 0.696 | 36% | 0.355 | S | S | * | . | trans | -74.4 | 77.9 | 174.6 | -167.8 | -176.3 | 165.2 | 0 | 0 | 109.7 | K105 E106 | K105-E108 VanDerWaalsContact O-CB 3.32Å; K105-E108 WeakPolarHBondContact O-CB 3.48Å; K105-E108 PolarHBondContact O-N 3.02Å; E106-E108 VanDerWaalsContact C-N 3.35Å | ||
| 109 | V | 92 | Very high | 87 | Confident | 27 Ų | 27 | 86.9 Ų | 86.9 | 16% | 0.164 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -142.8 | 169.4 | -173.7 | -56.9 | 0 | 0 | 0 | 0 | 110.2 | W55 Q56 K57 D107 Y111 | W55-V109 HydrophobicContact CB-CG2 3.83Å; W55-V109 HydrophobicContact CE3-CG2 4.23Å; Q56-V109 WeakPolarHBondContact O-CB 3.3Å; K57-V109 HydrophobicContact CB-CG1 4.38Å; K57-V109 HydrophobicContact CG-CG1 3.53Å; D107-V109 PolarHBondContact O-N 2.94Å; V109-Y111 HydrophobicContact CG2-CD2 4.01Å; V109-Y111 HydrophobicContact CG2-CE1 4.03Å; V109-Y111 HydrophobicContact CG2-CE2 3.42Å; V109-Y111 VanDerWaalsContact CG2-CE2 3.42Å; V109-Y111 VanDerWaalsContact CG2-CZ 3.41Å; V109-Y111 WeakPolarHBondContact O-CD2 3.33Å |
| 110 | V | 92.5 | Very high | 86.8 | Confident | 84 Ų | 84 | 88.4 Ų | 88.4 | 51% | 0.509 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 129.5 | 171.2 | -171.5 | 0 | 0 | 0 | 0 | 108.8 | W55 Q56 H112 | W55-V110 CarbonylContact C-O 3.6Å; W55-V110 VanDerWaalsContact CA-O 3.28Å; W55-V110 WeakPolarHBondContact CA-O 3.1Å; Q56-V110 HydrophobicContact CB-CB 4.48Å; Q56-V110 PolarHBondContact N-O 2.9Å; Q56-V110 PolarHBondContact O-N 2.93Å; Q56-V110 VanDerWaalsContact O-N 3.15Å; V110-H112 VanDerWaalsContact CG1-NE2 3.31Å; V110-H112 WeakPolarHBondContact CG1-NE2 3.37Å |
| 111 | Y | 92.4 | Very high | 86.6 | Confident | 22 Ų | 22 | 92.9 Ų | 92.9 | 9% | 0.086 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 131.5 | 175.1 | -66.3 | -92.8 | 0 | 0 | 0 | 109.5 | I37 Y54 W55 L65 L98 I100 D107 V109 | I37-Y111 HydrophobicContact CD1-CD1 4.12Å; I37-Y111 HydrophobicContact CD1-CD2 3.27Å; I37-Y111 HydrophobicContact CD1-CE2 3.85Å; I37-Y111 HydrophobicContact CD1-CG 3.42Å; I37-Y111 VanDerWaalsContact CD1-CG 3.42Å; Y54-Y111 WeakPolarHBondContact O-CA 3.37Å; W55-Y111 HydrophobicContact CB-CD1 4.14Å; W55-Y111 HydrophobicContact CB-CE1 4.16Å; L65-Y111 HydrophobicContact CD1-CD1 3.82Å; L65-Y111 HydrophobicContact CD1-CE1 3.94Å; L98-Y111 HydrophobicContact CD2-CD1 3.47Å; L98-Y111 VanDerWaalsContact CD2-CD1 3.47Å; L98-Y111 HydrophobicContact CD2-CE1 3.92Å; L98-Y111 HydrophobicContact CD2-CG 4.23Å; I100-Y111 HydrophobicContact CD1-CD1 4.48Å; I100-Y111 HydrophobicContact CD1-CD2 4.45Å; I100-Y111 HydrophobicContact CD1-CE1 3.78Å; I100-Y111 HydrophobicContact CD1-CE2 3.76Å; I100-Y111 WeakPolarHBondContact CD1-OH 3.31Å; D107-Y111 WeakPolarHBondContact O-CE2 3.09Å; D107-Y111 PolarHBondContact O-OH 2.97Å; V109-Y111 HydrophobicContact CG2-CD2 4.01Å; V109-Y111 HydrophobicContact CG2-CE1 4.03Å; V109-Y111 HydrophobicContact CG2-CE2 3.42Å; V109-Y111 VanDerWaalsContact CG2-CE2 3.42Å; V109-Y111 VanDerWaalsContact CG2-CZ 3.41Å; V109-Y111 WeakPolarHBondContact O-CD2 3.33Å |
| 112 | H | 91 | Very high | 86.4 | Confident | 66 Ų | 66 | 95.3 Ų | 95.3 | 31% | 0.306 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 145.7 | 179.9 | -57.8 | -91.2 | 0 | 0 | 0 | 110.6 | W53 Y54 Q56 L62 V110 | W53-H112 WeakPolarHBondContact CA-O 3.04Å; Y54-H112 PolarHBondContact N-O 3.35Å; Y54-H112 PolarHBondContact O-N 3.05Å; Q56-H112 PolarHBondContact OE1-NE2 2.78Å; L62-H112 HydrophobicContact CD1-CB 4.15Å; L62-H112 WeakPolarHBondContact CD1-CD2 3.38Å; V110-H112 VanDerWaalsContact CG1-NE2 3.31Å; V110-H112 WeakPolarHBondContact CG1-NE2 3.37Å |
| 113 | C | 90.8 | Very high | 86.2 | Confident | 23 Ų | 23 | 93.4 Ų | 93.4 | 16% | 0.155 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 136.2 | 176.7 | -177.2 | 0 | 0 | 0 | 0 | 109.4 | W39 I51 H52 W53 | W39-C113 HydrophobicContact CB-CB 3.84Å; W39-C113 HydrophobicContact CD2-CB 3.88Å; W39-C113 HydrophobicContact CE3-CB 4.46Å; W39-C113 HydrophobicContact CG-CB 3.6Å; W39-C113 VanDerWaalsContact CG-SG 3.57Å; I51-C113 WeakPolarHBondContact CG2-SG 3.47Å; H52-C113 CarbonylContact O-C 3.51Å; H52-C113 WeakPolarHBondContact O-CA 3.34Å; W53-C113 HydrophobicContact CD2-CB 4.28Å; W53-C113 HydrophobicContact CE3-CB 4.19Å; W53-C113 HydrophobicContact CH2-CB 4.18Å; W53-C113 HydrophobicContact CZ2-CB 4.25Å; W53-C113 HydrophobicContact CZ3-CB 4.14Å |
| 114 | A | 90 | Very high | 85.9 | Confident | 42 Ų | 42 | 97.6 Ų | 97.6 | 35% | 0.347 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 154 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | H52 Y54 | H52-A114 PolarHBondContact N-O 3.49Å; H52-A114 PolarHBondContact O-N 2.97Å; Y54-A114 HydrophobicContact CE2-CB 4.08Å |
| 115 | C | 89.8 | Confident | 85.6 | Confident | 27 Ų | 27 | 97 Ų | 97 | 18% | 0.182 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 157.5 | 170.7 | 77.5 | 0 | 0 | 0 | 0 | 110.3 | W39 I43 K49 I50 I51 | W39-C115 HydrophobicContact CH2-CB 4.24Å; I43-C115 WeakPolarHBondContact CD1-SG 3.47Å; K49-C115 HydrophobicContact CB-CB 4.41Å; I50-C115 WeakPolarHBondContact O-CB 3.48Å; I51-C115 HydrophobicContact CD1-CB 3.61Å |
| 116 | W | 84.3 | Confident | 85.4 | Confident | 190 Ų | 190 | 91.9 Ų | 91.9 | 72% | 0.72 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -88.5 | 119.1 | 179.5 | -59.4 | 97.6 | 0 | 0 | 0 | 111.3 | K49 H52 | K49-W116 WeakPolarHBondContact CD-O 3.04Å; K49-W116 PolarHBondContact NZ-O 3.38Å; H52-W116 AromaticContact NE2-CD1 3.81Å; H52-W116 AromaticContact NE2-NE1 3.65Å |
| 117 | I | 78.8 | Confident | 85.2 | Confident | 79 Ų | 79 | 90.5 Ų | 90.5 | 41% | 0.405 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -94.1 | 119.9 | 169.5 | -56.1 | 177 | 0 | 0 | 0 | 106.7 | I43 | I43-I117 HydrophobicContact CG2-CD1 4.14Š|
| 118 | R | 68.6 | Low | 84.9 | Confident | 232 Ų | 232 | 96.7 Ų | 96.7 | 88% | 0.875 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -83.4 | 125.2 | 170.3 | -68.7 | -172.6 | -178.6 | -179.8 | 0 | 106.2 | ||
| 119 | H | 57.8 | Low | 84.4 | Confident | 219 Ų | 219 | 91.9 Ų | 91.9 | 100% | 1.014 | 43% | 0.433 | S | S | * | . | trans | -94.7 | 0 | 170.4 | -73.4 | -79.4 | 0 | 0 | 0 | 109.4 |
Retrieved 119 of 119 residues in 51.7 ms
(Link to these results)