| 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 | 36.6 | Very low | 41.1 | Very low | 248 Ų | 248 | 147.9 Ų | 147.9 | 100% | 1.222 | 88% | 0.878 | S | S | * | * | 0 | 135.1 | 0 | -63.3 | -175.6 | -76.7 | 0 | 0 | 107.3 | |||||
| 2 | A | 38.4 | Very low | 40.7 | Very low | 94 Ų | 94 | 143 Ų | 143 | 78% | 0.777 | 86% | 0.856 | S | S | * | * | cis | -140.4 | -170.8 | 0.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 3 | L | 41.3 | Very low | 40.7 | Very low | 179 Ų | 179 | 148.1 Ų | 148.1 | 94% | 0.937 | 86% | 0.861 | S | S | * | * | trans | 71.2 | 77.1 | 175.5 | -57.7 | 171.8 | 0 | 0 | 0 | 117.7 | ||||
| 4 | S | 36.7 | Very low | 40.9 | Very low | 123 Ų | 123 | 149.8 Ų | 149.8 | 86% | 0.86 | 86% | 0.864 | S | S | * | * | trans | -167 | 104 | 130.6 | -171.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 5 | L | 44.4 | Very low | 40.7 | Very low | 168 Ų | 168 | 152.3 Ų | 152.3 | 88% | 0.88 | 86% | 0.864 | S | S | * | * | trans | -155.2 | 46.8 | -172.7 | -140.3 | 171 | 0 | 0 | 0 | 113.6 | ||||
| 6 | T | 46.6 | Very low | 40.8 | Very low | 147 Ų | 147 | 148 Ų | 148 | 90% | 0.902 | 85% | 0.854 | S | S | * | * | trans | -149.4 | 106.6 | 168.4 | 47 | 0 | 0 | 0 | 0 | 111 | ||||
| 7 | G | 42.4 | Very low | 41.3 | Very low | 73 Ų | 73 | 147.6 Ų | 147.6 | 75% | 0.753 | 85% | 0.854 | S | S | * | * | S | Bend | trans | 138.5 | 72.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 8 | L | 39.1 | Very low | 42.1 | Very low | 163 Ų | 163 | 146.2 Ų | 146.2 | 85% | 0.853 | 84% | 0.842 | S | S | * | * | trans | -179.2 | 62.7 | 152.8 | -102.4 | 164.5 | 0 | 0 | 0 | 110.7 | ||||
| 9 | V | 44 | Very low | 43.2 | Very low | 142 Ų | 142 | 142.6 Ų | 142.6 | 86% | 0.861 | 83% | 0.832 | S | S | * | * | trans | -129.7 | 42 | -179 | -160.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 10 | A | 40.8 | Very low | 44.5 | Very low | 87 Ų | 87 | 135.8 Ų | 135.8 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -142.6 | 7.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 11 | F | 41.7 | Very low | 45.6 | Very low | 203 Ų | 203 | 133 Ų | 133 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -142.4 | 59.6 | -176.1 | -93.4 | -77.8 | 0 | 0 | 0 | 112.6 | ||
| 12 | S | 37.2 | Very low | 47 | Very low | 89 Ų | 89 | 126 Ų | 126 | 62% | 0.622 | 75% | 0.748 | S | S | * | * | trans | -150 | 14.1 | 179.4 | 49 | 0 | 0 | 0 | 0 | 116 | L14 | S12-L14 PolarHBondContact O-N 3.44Š| ||
| 13 | F | 39.7 | Very low | 48.4 | Very low | 209 Ų | 209 | 129.4 Ų | 129.4 | 92% | 0.917 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -99.4 | 59.1 | 173.2 | -88.3 | -75.4 | 0 | 0 | 0 | 112.9 | ||
| 14 | L | 44.5 | Very low | 49.8 | Very low | 172 Ų | 172 | 122.1 Ų | 122.1 | 90% | 0.901 | 71% | 0.709 | S | S | * | * | trans | -164.9 | 52.1 | 165.8 | -113.4 | 164.7 | 0 | 0 | 0 | 111.5 | S12 A16 | S12-L14 PolarHBondContact O-N 3.44Å; L14-A16 PolarHBondContact O-N 2.04Å | ||
| 15 | Q | 36.9 | Very low | 51.6 | Low | 187 Ų | 187 | 121.9 Ų | 121.9 | 87% | 0.874 | 71% | 0.705 | S | S | * | * | trans | -69.2 | 113.2 | 166.6 | -81 | -177.8 | -43.7 | 0 | 0 | 109.4 | ||||
| 16 | A | 42.3 | Very low | 53.3 | Low | 84 Ų | 84 | 115.9 Ų | 115.9 | 69% | 0.694 | 67% | 0.673 | S | S | * | * | trans | -66.8 | 133 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | L14 L18 | L14-A16 PolarHBondContact O-N 2.04Å; A16-L18 PolarHBondContact O-N 2.91Å | ||
| 17 | T | 50.1 | Low | 55 | Low | 141 Ų | 141 | 110 Ų | 110 | 87% | 0.865 | 64% | 0.638 | S | S | * | * | trans | -71.2 | 93.9 | 171.7 | 52.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 18 | L | 54.8 | Low | 56.8 | Low | 122 Ų | 122 | 108.8 Ų | 108.8 | 64% | 0.639 | 62% | 0.617 | S | S | * | * | trans | -58.5 | 154 | 160.7 | -70.2 | 166.8 | 0 | 0 | 0 | 109.1 | A16 D97 | A16-L18 PolarHBondContact O-N 2.91Å; L18-D97 WeakPolarHBondContact CB-OD1 3.04Å | ||
| 19 | A | 63.4 | Low | 58.6 | Low | 78 Ų | 78 | 104.2 Ų | 104.2 | 65% | 0.645 | 60% | 0.598 | S | S | * | * | trans | -120.3 | 120.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | N21 | A19-N21 PolarHBondContact O-N 2.84Š| ||
| 20 | L | 69.1 | Low | 60.2 | Low | 6 Ų | 6 | 103 Ų | 103 | 3% | 0.031 | 58% | 0.583 | C | S | . | * | trans | -39.1 | 127.6 | 175.3 | -77.9 | 169.4 | 0 | 0 | 0 | 112.2 | P22 V27 E94 | L20-P22 WeakPolarHBondContact O-CD 3.09Å; L20-V27 HydrophobicContact CB-CG1 4.22Å; L20-V27 HydrophobicContact CB-CG2 4.06Å; L20-V27 HydrophobicContact CD2-CG2 4.37Å; L20-E94 HydrophobicContact CD1-CG 4.29Å; L20-E94 HydrophobicContact CD2-CG 4.11Å; L20-E94 HydrophobicContact CG-CG 4.29Å | ||
| 21 | N | 67.8 | Low | 61.9 | Low | 77 Ų | 77 | 106.2 Ų | 106.2 | 41% | 0.412 | 58% | 0.577 | S | S | . | * | trans | -61.8 | 117.1 | -174.3 | -179.6 | 5.9 | 0 | 0 | 0 | 111.1 | A19 E23 D24 | A19-N21 PolarHBondContact O-N 2.84Å; N21-E23 PolarHBondContact O-N 2.89Å; N21-E23 VanDerWaalsContact O-N 3.14Å; N21-E23 PolarHBondContact OD1-N 2.72Å; N21-D24 WeakPolarHBondContact O-CB 3.07Å; N21-D24 PolarHBondContact O-N 3.27Å; N21-D24 VanDerWaalsContact O-N 3.13Å | ||
| 22 | P | 66.9 | Low | 63.6 | Low | 103 Ų | 103 | 99.8 Ų | 99.8 | 67% | 0.669 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -7.6 | -175.5 | 30.5 | -37.1 | 0 | 0 | 0 | 114.6 | L20 | L20-P22 WeakPolarHBondContact O-CD 3.09Š|
| 23 | E | 67.8 | Low | 65.4 | Low | 164 Ų | 164 | 99 Ų | 99 | 77% | 0.766 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -2.9 | 174.4 | -56.5 | -65.4 | 138.4 | 0 | 0 | 112.9 | N21 | N21-E23 PolarHBondContact O-N 2.89Å; N21-E23 VanDerWaalsContact O-N 3.14Å; N21-E23 PolarHBondContact OD1-N 2.72Å |
| 24 | D | 69.5 | Low | 67.1 | Low | 26 Ų | 26 | 94.2 Ų | 94.2 | 14% | 0.139 | 52% | 0.521 | C | S | . | . | S | Bend | trans | -76.5 | 121.9 | 172 | -176.1 | -28.2 | 0 | 0 | 0 | 109.5 | N21 N26 V27 | N21-D24 WeakPolarHBondContact O-CB 3.07Å; N21-D24 PolarHBondContact O-N 3.27Å; N21-D24 VanDerWaalsContact O-N 3.13Å; D24-N26 PolarHBondContact O-N 2.89Å; D24-N26 WeakPolarHBondContact OD1-CB 3.34Å; D24-N26 PolarHBondContact OD1-N 2.96Å; D24-N26 PolarHBondContact OD1-ND2 2.93Å; D24-V27 HydrophobicContact CB-CB 4.48Å; D24-V27 HydrophobicContact CB-CG2 3.86Å; D24-V27 PolarHBondContact O-N 2.84Å |
| 25 | P | 74.9 | Confident | 68.3 | Low | 119 Ų | 119 | 89.4 Ų | 89.4 | 77% | 0.773 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -11.6 | -177.8 | 27.7 | -36.1 | 0 | 0 | 0 | 114.2 | ||
| 26 | N | 79.8 | Confident | 70 | Confident | 41 Ų | 41 | 83 Ų | 83 | 22% | 0.219 | 48% | 0.479 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 2 | 177.4 | -45 | -80 | 0 | 0 | 0 | 112.6 | D24 C89 Y92 C99 | D24-N26 PolarHBondContact O-N 2.89Å; D24-N26 WeakPolarHBondContact OD1-CB 3.34Å; D24-N26 PolarHBondContact OD1-N 2.96Å; D24-N26 PolarHBondContact OD1-ND2 2.93Å; N26-C89 WeakPolarHBondContact O-CB 3.33Å; N26-C89 PolarHBondContact O-N 3.08Å; N26-C89 PolarHBondContact O-SG 3.05Å; N26-Y92 HydrophobicContact CB-CD1 3.91Å; N26-Y92 HydrophobicContact CB-CE1 3.78Å; N26-Y92 HydrophobicContact CB-CE2 4.49Å; N26-Y92 HydrophobicContact CB-CG 4.33Å; N26-Y92 WeakPolarHBondContact OD1-CE1 3.25Å; N26-Y92 PolarHBondContact OD1-OH 2.86Å; N26-C99 HydrophobicContact CB-CB 4.01Å |
| 27 | V | 82 | Confident | 71.3 | Confident | 25 Ų | 25 | 83.5 Ų | 83.5 | 15% | 0.152 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 108 | 175.1 | 174.2 | 0 | 0 | 0 | 0 | 110.4 | L20 D24 C99 | L20-V27 HydrophobicContact CB-CG1 4.22Å; L20-V27 HydrophobicContact CB-CG2 4.06Å; L20-V27 HydrophobicContact CD2-CG2 4.37Å; D24-V27 HydrophobicContact CB-CB 4.48Å; D24-V27 HydrophobicContact CB-CG2 3.86Å; D24-V27 PolarHBondContact O-N 2.84Å; V27-C99 VanDerWaalsContact CG2-SG 3.6Å |
| 28 | C | 81.4 | Confident | 72.3 | Confident | 47 Ų | 47 | 79.5 Ų | 79.5 | 32% | 0.318 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 163.6 | 174.1 | -83.2 | 0 | 0 | 0 | 0 | 111.1 | S86 Q87 C89 | C28-S86 WeakPolarHBondContact O-CA 3.46Å; C28-Q87 CarbonylContact C-O 3.57Å; C28-Q87 WeakPolarHBondContact CA-O 3.37Å; C28-Q87 PolarHBondContact N-O 2.95Å; C28-Q87 PolarHBondContact O-N 2.79Å; C28-C89 VanDerWaalsContact CA-SG 3.56Å; C28-C89 HydrophobicContact CB-CB 4.03Å; C28-C89 WeakPolarHBondContact CB-SG 3.48Å; C28-C89 PolarHBondContact N-SG 3.25Å; C28-C89 WeakPolarHBondContact SG-CA 3.45Å; C28-C89 WeakPolarHBondContact SG-CB 3.4Å; C28-C89 CovalentContact SG-SG 2.05Å; C28-C89 PolarHBondContact SG-SG 3.47Å |
| 29 | S | 76.8 | Confident | 72.9 | Confident | 66 Ų | 66 | 79.2 Ų | 79.2 | 46% | 0.462 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 138.3 | 173.1 | 70.2 | 0 | 0 | 0 | 0 | 113.1 | R85 | S29-R85 VanDerWaalsContact CA-O 3.29Å; S29-R85 WeakPolarHBondContact CA-O 3.24Å |
| 30 | H | 77.4 | Confident | 73.4 | Confident | 116 Ų | 116 | 79.1 Ų | 79.1 | 54% | 0.537 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 158 | -176 | -175.1 | -99.7 | 0 | 0 | 0 | 111.4 | R84 R85 | H30-R84 WeakPolarHBondContact O-CA 3.34Å; H30-R85 PolarHBondContact N-O 2.8Å; H30-R85 PolarHBondContact O-N 2.89Å |
| 31 | W | 76.4 | Confident | 73.6 | Confident | 156 Ų | 156 | 82.5 Ų | 82.5 | 59% | 0.591 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 111.2 | -179.6 | -70.3 | 97.5 | 0 | 0 | 0 | 111.4 | R83 R84 | W31-R83 WeakPolarHBondContact CA-O 3.31Å; W31-R84 HydrophobicContact CD2-CB 4.28Å; W31-R84 HydrophobicContact CE3-CB 4.06Å; W31-R84 HydrophobicContact CH2-CB 4.08Å; W31-R84 HydrophobicContact CZ2-CB 4.28Å; W31-R84 HydrophobicContact CZ3-CB 3.97Å |
| 32 | E | 77.4 | Confident | 73.9 | Confident | 67 Ų | 67 | 84.1 Ų | 84.1 | 31% | 0.313 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 125.6 | 178.5 | -172.8 | -178 | -141 | 0 | 0 | 110 | Y82 R83 R85 | E32-Y82 WeakPolarHBondContact O-CA 3.45Å; E32-R83 HydrophobicContact CB-CG 4.22Å; E32-R83 PolarHBondContact N-O 3.02Å; E32-R83 PolarHBondContact O-N 2.84Å; E32-R83 IonicContact OE1-NH2 3.02Å; E32-R83 IonicContact OE2-CZ 2.66Å; E32-R83 IonicContact OE2-NE 3.92Å; E32-R83 PolarHBondContact OE2-NE 2.81Å; E32-R83 IonicContact OE2-NH2 3.8Å; E32-R83 PolarHBondContact OE2-NH2 3.16Å; E32-R85 IonicContact OE1-NH1 3.64Å |
| 33 | S | 74.6 | Confident | 74.1 | Confident | 74 Ų | 74 | 82.2 Ų | 82.2 | 52% | 0.517 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 132.1 | 178.2 | 61.8 | 0 | 0 | 0 | 0 | 112 | M81 | S33-M81 CarbonylContact C-O 3.54Å; S33-M81 VanDerWaalsContact CA-O 3.32Å; S33-M81 WeakPolarHBondContact CA-O 3.43Å |
| 34 | Y | 74.5 | Confident | 74.3 | Confident | 107 Ų | 107 | 78.4 Ų | 78.4 | 42% | 0.42 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 146.4 | 176.9 | 70 | -75 | 0 | 0 | 0 | 111.1 | V36 M81 R83 | Y34-V36 HydrophobicContact CD2-CG2 3.74Å; Y34-V36 HydrophobicContact CE2-CG2 3.41Å; Y34-V36 VanDerWaalsContact CE2-CG2 3.41Å; Y34-M81 HydrophobicContact CD1-CB 4.16Å; Y34-M81 HydrophobicContact CE1-CB 3.65Å; Y34-M81 HydrophobicContact CE2-CB 4.19Å; Y34-M81 PolarHBondContact N-O 3.28Å; Y34-M81 PolarHBondContact O-N 3.31Å; Y34-R83 HydrophobicContact CD1-CB 4.36Å; Y34-R83 HydrophobicContact CD1-CG 4.12Å; Y34-R83 HydrophobicContact CE1-CB 3.93Å; Y34-R83 HydrophobicContact CE1-CG 4.18Å |
| 35 | A | 71.3 | Confident | 74.5 | Confident | 71 Ų | 71 | 80.1 Ų | 80.1 | 59% | 0.587 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 134.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112 | L78 | A35-L78 HydrophobicContact CB-CD2 4.06Å |
| 36 | V | 72.9 | Confident | 74.5 | Confident | 52 Ų | 52 | 78.8 Ų | 78.8 | 32% | 0.315 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 135.5 | 179.6 | -174.9 | 0 | 0 | 0 | 0 | 109.7 | Y34 R79 M81 | Y34-V36 HydrophobicContact CD2-CG2 3.74Å; Y34-V36 HydrophobicContact CE2-CG2 3.41Å; Y34-V36 VanDerWaalsContact CE2-CG2 3.41Å; V36-R79 PolarHBondContact N-O 2.85Å; V36-R79 PolarHBondContact O-N 2.82Å; V36-M81 HydrophobicContact CB-CG 4.36Å; V36-M81 HydrophobicContact CG2-CB 4.32Å; V36-M81 HydrophobicContact CG2-CG 3.88Å |
| 37 | T | 69.3 | Low | 74.2 | Confident | 96 Ų | 96 | 80.9 Ų | 80.9 | 59% | 0.589 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 124.4 | 175.7 | 55 | 0 | 0 | 0 | 0 | 111.2 | G77 L78 | T37-G77 CarbonylContact C-O 3.52Å; T37-G77 WeakPolarHBondContact CA-O 3.32Å; T37-L78 HydrophobicContact CG2-CD2 3.69Å; T37-L78 HydrophobicContact CG2-CG 4.23Å |
| 38 | V | 69.6 | Low | 73.8 | Confident | 57 Ų | 57 | 84.4 Ų | 84.4 | 35% | 0.345 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 150 | 178.9 | -172.8 | 0 | 0 | 0 | 0 | 109.4 | R76 G77 R79 | V38-R76 WeakPolarHBondContact O-CA 3.1Å; V38-G77 PolarHBondContact N-O 2.89Å; V38-G77 PolarHBondContact O-N 3.37Å; V38-R79 HydrophobicContact CG2-CB 4.14Å |
| 39 | Q | 69 | Low | 73.5 | Confident | 115 Ų | 115 | 86.7 Ų | 86.7 | 54% | 0.537 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 119.7 | -178.1 | -174.9 | 166.9 | -32.5 | 0 | 0 | 111 | Y74 R75 | Q39-Y74 HydrophobicContact CG-CD1 4.11Å; Q39-Y74 HydrophobicContact CG-CG 4.42Å; Q39-R75 CarbonylContact C-O 3.53Å; Q39-R75 WeakPolarHBondContact CA-O 3.47Å |
| 40 | E | 73.1 | Confident | 73.2 | Confident | 76 Ų | 76 | 88.7 Ų | 88.7 | 36% | 0.355 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 147.6 | 179.7 | -61.4 | -175.5 | 151.4 | 0 | 0 | 110.9 | Y74 R75 | E40-Y74 CarbonylContact O-C 3.52Å; E40-Y74 VanDerWaalsContact O-CA 3.23Å; E40-Y74 WeakPolarHBondContact O-CA 3.09Å; E40-R75 HydrophobicContact CB-CG 4.2Å; E40-R75 PolarHBondContact N-O 2.82Å; E40-R75 PolarHBondContact O-N 2.63Å; E40-R75 IonicContact OE2-CZ 3.61Å; E40-R75 IonicContact OE2-NE 2.77Å; E40-R75 PolarHBondContact OE2-NE 3.01Å; E40-R75 IonicContact OE2-NH2 3.34Å; E40-R75 PolarHBondContact OE2-NH2 2.78Å |
| 41 | S | 74.2 | Confident | 72.7 | Confident | 78 Ų | 78 | 90.9 Ų | 90.9 | 55% | 0.545 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 150.2 | 171.4 | 50.4 | 0 | 0 | 0 | 0 | 112.4 | A73 | S41-A73 CarbonylContact C-O 3.49Å; S41-A73 VanDerWaalsContact CA-O 3.26Å; S41-A73 WeakPolarHBondContact CA-O 3.29Å |
| 42 | Y | 74.2 | Confident | 72.1 | Confident | 110 Ų | 110 | 86.3 Ų | 86.3 | 43% | 0.431 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 162.1 | 170.9 | 75.6 | -81.2 | 0 | 0 | 0 | 111.1 | H44 A73 R75 | Y42-H44 HydrophobicContact CE2-CB 4.49Å; Y42-A73 HydrophobicContact CD1-CB 4.36Å; Y42-A73 HydrophobicContact CE1-CB 3.88Å; Y42-A73 PolarHBondContact N-O 2.05Å; Y42-A73 PolarHBondContact O-N 2.98Å; Y42-R75 HydrophobicContact CD1-CG 4.45Å; Y42-R75 HydrophobicContact CE1-CB 4.43Å |
| 43 | A | 70.6 | Confident | 71.2 | Confident | 64 Ų | 64 | 92.9 Ų | 92.9 | 53% | 0.529 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 131.3 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y70 | A43-Y70 HydrophobicContact CB-CD1 4.24Å |
| 44 | H | 71.3 | Confident | 70.7 | Confident | 83 Ų | 83 | 92.9 Ų | 92.9 | 38% | 0.384 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 122.4 | -179.9 | -170.6 | -45.3 | 0 | 0 | 0 | 110 | Y42 Y70 K71 A73 | Y42-H44 HydrophobicContact CE2-CB 4.49Å; H44-Y70 WeakPolarHBondContact O-CA 3.23Å; H44-K71 HydrophobicContact CB-CG 4.34Å; H44-K71 PolarHBondContact N-O 2.94Å; H44-K71 PolarHBondContact O-N 2.77Å; H44-A73 HydrophobicContact CB-CB 4.39Å |
| 45 | P | 73.5 | Confident | 70 | Confident | 63 Ų | 63 | 94.4 Ų | 94.4 | 41% | 0.409 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 154.9 | 177.4 | 27.5 | -32.9 | 0 | 0 | 0 | 112.8 | I68 S69 Y70 | P45-I68 HydrophobicContact CB-CG2 3.77Å; P45-S69 CarbonylContact C-O 3.55Å; P45-S69 WeakPolarHBondContact CA-O 3.26Å; P45-Y70 HydrophobicContact CB-CD1 3.89Å; P45-Y70 HydrophobicContact CB-CE1 3.64Å; P45-Y70 HydrophobicContact CG-CD1 4.5Å; P45-Y70 HydrophobicContact CG-CE1 4.11Å |
| 46 | F | 76.1 | Confident | 69.2 | Low | 91 Ų | 91 | 97.6 Ų | 97.6 | 40% | 0.399 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 160.6 | 164.5 | 73.3 | -79.8 | 0 | 0 | 0 | 109.6 | I68 S69 K71 | F46-I68 WeakPolarHBondContact O-CA 3.46Å; F46-S69 WeakPolarHBondContact CD1-O 3.39Å; F46-S69 PolarHBondContact N-O 3.02Å; F46-S69 PolarHBondContact O-N 2.87Å; F46-K71 HydrophobicContact CD1-CB 4.47Å; F46-K71 HydrophobicContact CD1-CD 4.41Å; F46-K71 HydrophobicContact CD1-CG 4.31Å; F46-K71 HydrophobicContact CE1-CB 4.28Å |
| 47 | D | 71.8 | Confident | 68.5 | Low | 84 Ų | 84 | 102.4 Ų | 102.4 | 45% | 0.449 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 147.9 | -178.7 | -173.3 | 30.9 | 0 | 0 | 0 | 112.6 | H66 R67 | D47-H66 IonicContact OD1-ND1 3.97Å; D47-H66 IonicContact OD2-CE1 3.73Å; D47-H66 IonicContact OD2-CG 3.2Å; D47-H66 IonicContact OD2-ND1 2.72Å; D47-H66 PolarHBondContact OD2-ND1 2.71Å; D47-R67 PolarHBondContact OD1-N 2.83Å |
| 48 | Q | 75.3 | Confident | 67.6 | Low | 99 Ų | 99 | 105.7 Ų | 105.7 | 46% | 0.463 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 118.7 | -172.3 | -169.4 | 175.4 | 8.8 | 0 | 0 | 111.1 | R67 S69 | Q48-R67 WeakPolarHBondContact CB-O 3.41Å; Q48-R67 PolarHBondContact N-O 2.87Å; Q48-R67 PolarHBondContact O-N 2.84Å; Q48-S69 PolarHBondContact OE1-OG 2.89Å |
| 49 | I | 73.8 | Confident | 66.5 | Low | 95 Ų | 95 | 109.8 Ų | 109.8 | 49% | 0.487 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.8 | 136.5 | -174.2 | -50.3 | 179.9 | 0 | 0 | 0 | 110.7 | T64 R65 H66 | I49-T64 HydrophobicContact CG2-CG2 4.24Å; I49-R65 WeakPolarHBondContact CA-O 3.39Å; I49-H66 VanDerWaalsContact CD1-CE1 3.48Å; I49-H66 WeakPolarHBondContact CD1-CE1 3.41Å |
| 50 | Y | 71.4 | Confident | 65.8 | Low | 109 Ų | 109 | 114.9 Ų | 114.9 | 43% | 0.427 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -144 | 165.6 | 172.3 | 68.4 | -76 | 0 | 0 | 0 | 111.7 | T52 R65 R67 | Y50-T52 HydrophobicContact CD2-CG2 4.34Å; Y50-T52 HydrophobicContact CE2-CG2 4.09Å; Y50-R65 HydrophobicContact CE1-CB 4.22Å; Y50-R65 PolarHBondContact N-O 2.69Å; Y50-R65 PolarHBondContact O-N 2.85Å; Y50-R65 VanDerWaalsContact O-O 3.1Å; Y50-R67 HydrophobicContact CE1-CB 4.04Å |
| 51 | Y | 65.5 | Low | 65 | Low | 161 Ų | 161 | 119.8 Ų | 119.8 | 63% | 0.631 | 59% | 0.592 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -117.4 | 137.9 | -170.3 | -60.6 | -98.6 | 0 | 0 | 0 | 111.7 | C63 T64 | Y51-C63 CarbonylContact C-O 3.59Å; Y51-C63 WeakPolarHBondContact CA-O 3.41Å; Y51-T64 HydrophobicContact CD1-CG2 3.63Å; Y51-T64 HydrophobicContact CE1-CG2 3.29Å |
| 52 | T | 64 | Low | 64 | Low | 60 Ų | 60 | 123.8 Ų | 123.8 | 37% | 0.368 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.5 | 163.3 | 173 | 61.8 | 0 | 0 | 0 | 0 | 111.1 | Y50 C63 | Y50-T52 HydrophobicContact CD2-CG2 4.34Å; Y50-T52 HydrophobicContact CE2-CG2 4.09Å; T52-C63 PolarHBondContact N-O 2.81Å; T52-C63 PolarHBondContact O-N 2.88Å |
| 53 | R | 59.9 | Low | 63.4 | Low | 205 Ų | 205 | 120.5 Ų | 120.5 | 77% | 0.774 | 59% | 0.592 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.1 | 129.8 | 172.9 | -59.4 | -172.6 | -169.4 | -168 | 4.2 | 108.5 | ||
| 54 | C | 64.3 | Low | 62.9 | Low | 75 Ų | 75 | 121.3 Ų | 121.3 | 51% | 0.507 | 59% | 0.591 | S | S | . | * | trans | -80.5 | 148.3 | 176.6 | -82.4 | 0 | 0 | 0 | 0 | 111 | C63 | C54-C63 HydrophobicContact CB-CB 4.41Å; C54-C63 WeakPolarHBondContact CB-SG 3.46Å; C54-C63 WeakPolarHBondContact SG-CB 3.32Å; C54-C63 CovalentContact SG-SG 2.04Å; C54-C63 PolarHBondContact SG-SG 2.9Å | ||
| 55 | T | 60 | Low | 62.6 | Low | 138 Ų | 138 | 125.2 Ų | 125.2 | 85% | 0.847 | 60% | 0.602 | S | S | * | * | trans | -104.5 | 77.8 | -173 | 51.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 56 | D | 54.5 | Low | 62.5 | Low | 139 Ų | 139 | 127.5 Ų | 127.5 | 74% | 0.743 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -154.3 | 170.9 | 152.4 | -127.6 | -42.6 | 0 | 0 | 0 | 112.6 | ||
| 57 | I | 56.1 | Low | 62.4 | Low | 153 Ų | 153 | 131 Ų | 131 | 79% | 0.785 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -65.4 | 137.2 | -158.2 | -65.9 | 165.6 | 0 | 0 | 0 | 113.7 | ||
| 58 | L | 50.8 | Low | 62.4 | Low | 164 Ų | 164 | 132.1 Ų | 132.1 | 86% | 0.859 | 62% | 0.622 | S | S | * | * | S | Bend | trans | 80.7 | 94.8 | -173.2 | -60.1 | 169.6 | 0 | 0 | 0 | 115.9 | W60 | L58-W60 PolarHBondContact O-N 2.86Š|
| 59 | N | 46.5 | Very low | 62.4 | Low | 144 Ų | 144 | 128.5 Ų | 128.5 | 77% | 0.77 | 61% | 0.608 | S | S | * | * | trans | -68.5 | 118.3 | -177.9 | -72.6 | -77.1 | 0 | 0 | 0 | 114.3 | ||||
| 60 | W | 54.9 | Low | 62.5 | Low | 222 Ų | 222 | 131.5 Ų | 131.5 | 84% | 0.841 | 61% | 0.614 | S | S | * | * | trans | -152.9 | -29 | 150.4 | -157.9 | -107.7 | 0 | 0 | 0 | 115.9 | L58 | L58-W60 PolarHBondContact O-N 2.86Š| ||
| 61 | F | 56.1 | Low | 62.5 | Low | 179 Ų | 179 | 132 Ų | 132 | 79% | 0.785 | 62% | 0.619 | S | S | * | * | trans | -101.4 | 147.5 | -169.4 | -62.5 | -77.4 | 0 | 0 | 0 | 114.9 | ||||
| 62 | K | 53.5 | Low | 62.9 | Low | 162 Ų | 162 | 129.1 Ų | 129.1 | 70% | 0.704 | 62% | 0.618 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107.7 | 145.1 | 176.7 | -63.6 | 176.4 | -174.8 | 170.8 | 0 | 110.2 | ||
| 63 | C | 60.4 | Low | 63.3 | Low | 40 Ų | 40 | 127.4 Ų | 127.4 | 27% | 0.27 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.2 | 139.8 | -175.6 | -60.2 | 0 | 0 | 0 | 0 | 110.9 | Y51 T52 C54 | Y51-C63 CarbonylContact C-O 3.59Å; Y51-C63 WeakPolarHBondContact CA-O 3.41Å; T52-C63 PolarHBondContact N-O 2.81Å; T52-C63 PolarHBondContact O-N 2.88Å; C54-C63 HydrophobicContact CB-CB 4.41Å; C54-C63 WeakPolarHBondContact CB-SG 3.46Å; C54-C63 WeakPolarHBondContact SG-CB 3.32Å; C54-C63 CovalentContact SG-SG 2.04Å; C54-C63 PolarHBondContact SG-SG 2.9Å |
| 64 | T | 61.8 | Low | 63.8 | Low | 82 Ų | 82 | 124.7 Ų | 124.7 | 50% | 0.503 | 60% | 0.601 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.9 | 146.5 | 175.4 | 37.7 | 0 | 0 | 0 | 0 | 112.2 | I49 Y51 | I49-T64 HydrophobicContact CG2-CG2 4.24Å; Y51-T64 HydrophobicContact CD1-CG2 3.63Å; Y51-T64 HydrophobicContact CE1-CG2 3.29Å |
| 65 | R | 64.6 | Low | 64.3 | Low | 165 Ų | 165 | 128.1 Ų | 128.1 | 62% | 0.623 | 60% | 0.603 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -137.6 | 152.8 | 163 | -86.9 | -163.8 | 171.2 | -156.7 | -0.8 | 111.1 | I49 Y50 | I49-R65 WeakPolarHBondContact CA-O 3.39Å; Y50-R65 HydrophobicContact CE1-CB 4.22Å; Y50-R65 PolarHBondContact N-O 2.69Å; Y50-R65 PolarHBondContact O-N 2.85Å; Y50-R65 VanDerWaalsContact O-O 3.1Å |
| 66 | H | 70.9 | Confident | 64.8 | Low | 110 Ų | 110 | 131 Ų | 131 | 51% | 0.509 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.3 | 151.6 | 179.9 | -69.9 | -119.7 | 0 | 0 | 0 | 109.7 | D47 I49 | D47-H66 IonicContact OD1-ND1 3.97Å; D47-H66 IonicContact OD2-CE1 3.73Å; D47-H66 IonicContact OD2-CG 3.2Å; D47-H66 IonicContact OD2-ND1 2.72Å; D47-H66 PolarHBondContact OD2-ND1 2.71Å; I49-H66 VanDerWaalsContact CD1-CE1 3.48Å; I49-H66 WeakPolarHBondContact CD1-CE1 3.41Å |
| 67 | R | 74.4 | Confident | 65.5 | Low | 166 Ų | 166 | 125.6 Ų | 125.6 | 63% | 0.626 | 58% | 0.575 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -149.9 | 128.6 | 174.7 | 173.1 | 177.3 | 176.3 | 175.3 | 1.2 | 109.5 | D47 Q48 Y50 S69 | D47-R67 PolarHBondContact OD1-N 2.83Å; Q48-R67 WeakPolarHBondContact CB-O 3.41Å; Q48-R67 PolarHBondContact N-O 2.87Å; Q48-R67 PolarHBondContact O-N 2.84Å; Y50-R67 HydrophobicContact CE1-CB 4.04Å; R67-S69 PolarHBondContact O-N 2.84Å |
| 68 | I | 72.7 | Confident | 66.4 | Low | 107 Ų | 107 | 124.6 Ų | 124.6 | 55% | 0.549 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.5 | 127.4 | 171 | -57.6 | 173.9 | 0 | 0 | 0 | 109.6 | P45 F46 Y70 | P45-I68 HydrophobicContact CB-CG2 3.77Å; F46-I68 WeakPolarHBondContact O-CA 3.46Å; I68-Y70 HydrophobicContact CG2-CE2 4.16Å |
| 69 | S | 73.6 | Confident | 67.4 | Low | 23 Ų | 23 | 124.1 Ų | 124.1 | 16% | 0.161 | 56% | 0.558 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.8 | 160.4 | 175.3 | -74.4 | 0 | 0 | 0 | 0 | 109.3 | P45 F46 Q48 R67 | P45-S69 CarbonylContact C-O 3.55Å; P45-S69 WeakPolarHBondContact CA-O 3.26Å; F46-S69 WeakPolarHBondContact CD1-O 3.39Å; F46-S69 PolarHBondContact N-O 3.02Å; F46-S69 PolarHBondContact O-N 2.87Å; Q48-S69 PolarHBondContact OE1-OG 2.89Å; R67-S69 PolarHBondContact O-N 2.84Å |
| 70 | Y | 76.3 | Confident | 68.5 | Low | 157 Ų | 157 | 121.4 Ų | 121.4 | 62% | 0.616 | 55% | 0.546 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 144.8 | -176.7 | -67.6 | -101.5 | 0 | 0 | 0 | 111.4 | A43 H44 P45 I68 | A43-Y70 HydrophobicContact CB-CD1 4.24Å; H44-Y70 WeakPolarHBondContact O-CA 3.23Å; P45-Y70 HydrophobicContact CB-CD1 3.89Å; P45-Y70 HydrophobicContact CB-CE1 3.64Å; P45-Y70 HydrophobicContact CG-CD1 4.5Å; P45-Y70 HydrophobicContact CG-CE1 4.11Å; I68-Y70 HydrophobicContact CG2-CE2 4.16Å |
| 71 | K | 72.2 | Confident | 69.1 | Low | 120 Ų | 120 | 114.6 Ų | 114.6 | 52% | 0.522 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 149.3 | 173.4 | 65.6 | 179.3 | -178.1 | -180 | 0 | 111 | H44 F46 | H44-K71 HydrophobicContact CB-CG 4.34Å; H44-K71 PolarHBondContact N-O 2.94Å; H44-K71 PolarHBondContact O-N 2.77Å; F46-K71 HydrophobicContact CD1-CB 4.47Å; F46-K71 HydrophobicContact CD1-CD 4.41Å; F46-K71 HydrophobicContact CD1-CG 4.31Å; F46-K71 HydrophobicContact CE1-CB 4.28Å |
| 72 | T | 74.4 | Confident | 69.7 | Low | 100 Ų | 100 | 113.5 Ų | 113.5 | 61% | 0.613 | 52% | 0.516 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77 | 133.5 | 178 | -47.4 | 0 | 0 | 0 | 0 | 111.1 | ||
| 73 | A | 71.1 | Confident | 70.8 | Confident | 24 Ų | 24 | 112 Ų | 112 | 20% | 0.198 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 170.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | S41 Y42 H44 | S41-A73 CarbonylContact C-O 3.49Å; S41-A73 VanDerWaalsContact CA-O 3.26Å; S41-A73 WeakPolarHBondContact CA-O 3.29Å; Y42-A73 HydrophobicContact CD1-CB 4.36Å; Y42-A73 HydrophobicContact CE1-CB 3.88Å; Y42-A73 PolarHBondContact N-O 2.05Å; Y42-A73 PolarHBondContact O-N 2.98Å; H44-A73 HydrophobicContact CB-CB 4.39Å |
| 74 | Y | 70.4 | Confident | 71.3 | Confident | 149 Ų | 149 | 118.4 Ų | 118.4 | 58% | 0.584 | 53% | 0.525 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129 | 150.9 | -177.9 | -62.6 | -92.4 | 0 | 0 | 0 | 112.3 | Q39 E40 | Q39-Y74 HydrophobicContact CG-CD1 4.11Å; Q39-Y74 HydrophobicContact CG-CG 4.42Å; E40-Y74 CarbonylContact O-C 3.52Å; E40-Y74 VanDerWaalsContact O-CA 3.23Å; E40-Y74 WeakPolarHBondContact O-CA 3.09Å |
| 75 | R | 74.9 | Confident | 72 | Confident | 146 Ų | 146 | 121.6 Ų | 121.6 | 55% | 0.551 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 160.2 | 172.6 | 67.6 | -179 | -169.8 | -177.3 | 3.4 | 110.1 | Q39 E40 Y42 | Q39-R75 CarbonylContact C-O 3.53Å; Q39-R75 WeakPolarHBondContact CA-O 3.47Å; E40-R75 HydrophobicContact CB-CG 4.2Å; E40-R75 PolarHBondContact N-O 2.82Å; E40-R75 PolarHBondContact O-N 2.63Å; E40-R75 IonicContact OE2-CZ 3.61Å; E40-R75 IonicContact OE2-NE 2.77Å; E40-R75 PolarHBondContact OE2-NE 3.01Å; E40-R75 IonicContact OE2-NH2 3.34Å; E40-R75 PolarHBondContact OE2-NH2 2.78Å; Y42-R75 HydrophobicContact CD1-CG 4.45Å; Y42-R75 HydrophobicContact CE1-CB 4.43Å |
| 76 | R | 70.6 | Confident | 72.6 | Confident | 200 Ų | 200 | 116 Ų | 116 | 76% | 0.755 | 51% | 0.514 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 135.8 | 171.5 | -67.6 | -179.2 | 179 | 173.8 | -0.6 | 109.9 | V38 | V38-R76 WeakPolarHBondContact O-CA 3.1Å |
| 77 | G | 70 | Confident | 73.1 | Confident | 25 Ų | 25 | 115.3 Ų | 115.3 | 26% | 0.258 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 157.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | T37 V38 | T37-G77 CarbonylContact C-O 3.52Å; T37-G77 WeakPolarHBondContact CA-O 3.32Å; V38-G77 PolarHBondContact N-O 2.89Å; V38-G77 PolarHBondContact O-N 3.37Å |
| 78 | L | 74.8 | Confident | 73.5 | Confident | 131 Ų | 131 | 108 Ų | 108 | 69% | 0.686 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 130.9 | 172.6 | -79.8 | 154.6 | 0 | 0 | 0 | 109.5 | A35 T37 | A35-L78 HydrophobicContact CB-CD2 4.06Å; T37-L78 HydrophobicContact CG2-CD2 3.69Å; T37-L78 HydrophobicContact CG2-CG 4.23Å |
| 79 | R | 72.1 | Confident | 74 | Confident | 155 Ų | 155 | 104 Ų | 104 | 59% | 0.585 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 131.6 | 172.8 | -107.4 | -176.1 | 174.8 | -165.2 | -3 | 109.7 | V36 V38 | V36-R79 PolarHBondContact N-O 2.85Å; V36-R79 PolarHBondContact O-N 2.82Å; V38-R79 HydrophobicContact CG2-CB 4.14Å |
| 80 | T | 69.8 | Low | 74.3 | Confident | 87 Ų | 87 | 108.5 Ų | 108.5 | 53% | 0.534 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 125.7 | 174.2 | -35.7 | 0 | 0 | 0 | 0 | 109.8 | ||
| 81 | M | 66.6 | Low | 74.2 | Confident | 79 Ų | 79 | 102.5 Ų | 102.5 | 39% | 0.389 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 163.8 | 171.5 | -65.6 | -64.1 | -167.2 | 0 | 0 | 109.2 | S33 Y34 V36 | S33-M81 CarbonylContact C-O 3.54Å; S33-M81 VanDerWaalsContact CA-O 3.32Å; S33-M81 WeakPolarHBondContact CA-O 3.43Å; Y34-M81 HydrophobicContact CD1-CB 4.16Å; Y34-M81 HydrophobicContact CE1-CB 3.65Å; Y34-M81 HydrophobicContact CE2-CB 4.19Å; Y34-M81 PolarHBondContact N-O 3.28Å; Y34-M81 PolarHBondContact O-N 3.31Å; V36-M81 HydrophobicContact CB-CG 4.36Å; V36-M81 HydrophobicContact CG2-CB 4.32Å; V36-M81 HydrophobicContact CG2-CG 3.88Å |
| 82 | Y | 69.6 | Low | 74.8 | Confident | 155 Ų | 155 | 99.2 Ų | 99.2 | 61% | 0.608 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 139.8 | 177.6 | -59 | -90.5 | 0 | 0 | 0 | 110.1 | E32 | E32-Y82 WeakPolarHBondContact O-CA 3.45Å |
| 83 | R | 75.1 | Confident | 75.2 | Confident | 130 Ų | 130 | 99.4 Ų | 99.4 | 49% | 0.491 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 145.7 | 171.4 | 66 | 180 | -173.1 | 177.8 | 0.7 | 110.5 | W31 E32 Y34 | W31-R83 WeakPolarHBondContact CA-O 3.31Å; E32-R83 HydrophobicContact CB-CG 4.22Å; E32-R83 PolarHBondContact N-O 3.02Å; E32-R83 PolarHBondContact O-N 2.84Å; E32-R83 IonicContact OE1-NH2 3.02Å; E32-R83 IonicContact OE2-CZ 2.66Å; E32-R83 IonicContact OE2-NE 3.92Å; E32-R83 PolarHBondContact OE2-NE 2.81Å; E32-R83 IonicContact OE2-NH2 3.8Å; E32-R83 PolarHBondContact OE2-NH2 3.16Å; Y34-R83 HydrophobicContact CD1-CB 4.36Å; Y34-R83 HydrophobicContact CD1-CG 4.12Å; Y34-R83 HydrophobicContact CE1-CB 3.93Å; Y34-R83 HydrophobicContact CE1-CG 4.18Å |
| 84 | R | 71.3 | Confident | 75.6 | Confident | 176 Ų | 176 | 104 Ų | 104 | 66% | 0.664 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 128.1 | 174.7 | -169.1 | 176.4 | 73.1 | 167.5 | 3.7 | 109.5 | H30 W31 | H30-R84 WeakPolarHBondContact O-CA 3.34Å; W31-R84 HydrophobicContact CD2-CB 4.28Å; W31-R84 HydrophobicContact CE3-CB 4.06Å; W31-R84 HydrophobicContact CH2-CB 4.08Å; W31-R84 HydrophobicContact CZ2-CB 4.28Å; W31-R84 HydrophobicContact CZ3-CB 3.97Å |
| 85 | R | 76.9 | Confident | 75.8 | Confident | 149 Ų | 149 | 101.3 Ų | 101.3 | 56% | 0.562 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 136.4 | 177.6 | -175 | 174.7 | 177.4 | -179.7 | -3.2 | 109.5 | S29 H30 E32 | S29-R85 VanDerWaalsContact CA-O 3.29Å; S29-R85 WeakPolarHBondContact CA-O 3.24Å; H30-R85 PolarHBondContact N-O 2.8Å; H30-R85 PolarHBondContact O-N 2.89Å; E32-R85 IonicContact OE1-NH1 3.64Å |
| 86 | S | 77.8 | Confident | 75.9 | Confident | 47 Ų | 47 | 96.6 Ų | 96.6 | 33% | 0.329 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 147.7 | 170.7 | 37.2 | 0 | 0 | 0 | 0 | 111 | C28 | C28-S86 WeakPolarHBondContact O-CA 3.46Å |
| 87 | Q | 80.1 | Confident | 76 | Confident | 95 Ų | 95 | 90.2 Ų | 90.2 | 44% | 0.444 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 159.6 | 173.9 | 56.7 | 175.5 | 73.1 | 0 | 0 | 108.3 | C28 | C28-Q87 CarbonylContact C-O 3.57Å; C28-Q87 WeakPolarHBondContact CA-O 3.37Å; C28-Q87 PolarHBondContact N-O 2.95Å; C28-Q87 PolarHBondContact O-N 2.79Å |
| 88 | C | 83.4 | Confident | 76.1 | Confident | 14 Ų | 14 | 95.4 Ų | 95.4 | 10% | 0.095 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 146.3 | 171.6 | -62.5 | 0 | 0 | 0 | 0 | 111.8 | C99 | C88-C99 WeakPolarHBondContact CA-SG 3.38Å; C88-C99 HydrophobicContact CB-CB 3.8Å; C88-C99 WeakPolarHBondContact CB-SG 3.02Å; C88-C99 WeakPolarHBondContact SG-CA 3.47Å; C88-C99 WeakPolarHBondContact SG-CB 3.44Å; C88-C99 CovalentContact SG-SG 2.04Å; C88-C99 PolarHBondContact SG-SG 2.74Å |
| 89 | C | 83.4 | Confident | 76.4 | Confident | 22 Ų | 22 | 89.6 Ų | 89.6 | 15% | 0.149 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 156.5 | 174 | -69.3 | 0 | 0 | 0 | 0 | 111.4 | N26 C28 G91 Y92 | N26-C89 WeakPolarHBondContact O-CB 3.33Å; N26-C89 PolarHBondContact O-N 3.08Å; N26-C89 PolarHBondContact O-SG 3.05Å; C28-C89 VanDerWaalsContact CA-SG 3.56Å; C28-C89 HydrophobicContact CB-CB 4.03Å; C28-C89 WeakPolarHBondContact CB-SG 3.48Å; C28-C89 PolarHBondContact N-SG 3.25Å; C28-C89 WeakPolarHBondContact SG-CA 3.45Å; C28-C89 WeakPolarHBondContact SG-CB 3.4Å; C28-C89 CovalentContact SG-SG 2.05Å; C28-C89 PolarHBondContact SG-SG 3.47Å; C89-G91 PolarHBondContact O-N 3.25Å; C89-Y92 HydrophobicContact CB-CD2 4.41Å; C89-Y92 PolarHBondContact O-N 3.49Å |
| 90 | P | 79.9 | Confident | 76.7 | Confident | 117 Ų | 117 | 84.9 Ų | 84.9 | 76% | 0.76 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 134.7 | 176.8 | -25.9 | 35.2 | 0 | 0 | 0 | 111.8 | ||
| 91 | G | 74.3 | Confident | 77.3 | Confident | 31 Ų | 31 | 81.8 Ų | 81.8 | 32% | 0.32 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | 1.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | C89 L102 P115 | C89-G91 PolarHBondContact O-N 3.25Å; G91-L102 WeakPolarHBondContact O-CB 3.49Å; G91-L102 PolarHBondContact O-N 3.4Å; G91-P115 WeakPolarHBondContact O-CG 3.43Å |
| 92 | Y | 84.1 | Confident | 77.9 | Confident | 52 Ų | 52 | 82.5 Ų | 82.5 | 20% | 0.204 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 148.4 | 174.1 | -64.3 | -108.7 | 0 | 0 | 0 | 110.9 | N26 C89 C99 I100 P101 P115 | N26-Y92 HydrophobicContact CB-CD1 3.91Å; N26-Y92 HydrophobicContact CB-CE1 3.78Å; N26-Y92 HydrophobicContact CB-CE2 4.49Å; N26-Y92 HydrophobicContact CB-CG 4.33Å; N26-Y92 WeakPolarHBondContact OD1-CE1 3.25Å; N26-Y92 PolarHBondContact OD1-OH 2.86Å; C89-Y92 HydrophobicContact CB-CD2 4.41Å; C89-Y92 PolarHBondContact O-N 3.49Å; Y92-C99 HydrophobicContact CD1-CB 4.27Å; Y92-I100 CarbonylContact C-O 3.55Å; Y92-I100 VanDerWaalsContact CA-O 3.24Å; Y92-I100 WeakPolarHBondContact CA-O 3.37Å; Y92-P101 HydrophobicContact CD1-CB 4.03Å; Y92-P101 HydrophobicContact CE1-CB 3.88Å; Y92-P101 HydrophobicContact CE1-CG 4.5Å; Y92-P115 HydrophobicContact CD2-CG 3.69Å; Y92-P115 HydrophobicContact CE2-CG 3.26Å |
| 93 | Y | 83.8 | Confident | 78.5 | Confident | 103 Ų | 103 | 76.1 Ų | 76.1 | 40% | 0.404 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 151.9 | 175.1 | 75.7 | -85.7 | 0 | 0 | 0 | 112.3 | N95 C99 I100 L102 | Y93-N95 HydrophobicContact CD2-CB 4.45Å; Y93-N95 HydrophobicContact CE2-CB 4.04Å; Y93-C99 WeakPolarHBondContact O-CA 3.47Å; Y93-I100 HydrophobicContact CD1-CB 4.17Å; Y93-I100 HydrophobicContact CD1-CG2 4.42Å; Y93-I100 WeakPolarHBondContact CD1-O 3.14Å; Y93-I100 HydrophobicContact CE1-CB 3.72Å; Y93-I100 HydrophobicContact CE1-CG2 3.6Å; Y93-I100 HydrophobicContact CE2-CB 4.43Å; Y93-I100 PolarHBondContact N-O 2.99Å; Y93-I100 PolarHBondContact O-N 3.35Å; Y93-L102 HydrophobicContact CD1-CB 4.29Å; Y93-L102 HydrophobicContact CD1-CD1 3.97Å; Y93-L102 HydrophobicContact CE1-CD1 4.36Å |
| 94 | E | 78.6 | Confident | 78.7 | Confident | 120 Ų | 120 | 75.2 Ų | 75.2 | 56% | 0.561 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 122.2 | -176.9 | -179 | 172 | 170.6 | 0 | 0 | 110.4 | L20 | L20-E94 HydrophobicContact CD1-CG 4.29Å; L20-E94 HydrophobicContact CD2-CG 4.11Å; L20-E94 HydrophobicContact CG-CG 4.29Å |
| 95 | N | 75.4 | Confident | 79 | Confident | 93 Ų | 93 | 73.7 Ų | 73.7 | 50% | 0.497 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 83.3 | 175.8 | -171.4 | 12.5 | 0 | 0 | 0 | 110.3 | Y93 F98 I100 | Y93-N95 HydrophobicContact CD2-CB 4.45Å; Y93-N95 HydrophobicContact CE2-CB 4.04Å; N95-F98 PolarHBondContact N-O 2.9Å; N95-I100 HydrophobicContact CB-CD1 3.64Å; N95-I100 HydrophobicContact CB-CG1 4.15Å; N95-I100 VanDerWaalsContact ND2-CD1 3.32Å; N95-I100 WeakPolarHBondContact ND2-CD1 3.42Å |
| 96 | G | 75.4 | Confident | 79.1 | Confident | 47 Ų | 47 | 74.7 Ų | 74.7 | 49% | 0.485 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | -135 | -168.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | F98 | G96-F98 PolarHBondContact O-N 2.04Š|
| 97 | D | 73.2 | Confident | 79.5 | Confident | 66 Ų | 66 | 73.2 Ų | 73.2 | 35% | 0.353 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -3.4 | -175.5 | -60.3 | -35.4 | 0 | 0 | 0 | 114.3 | L18 | L18-D97 WeakPolarHBondContact CB-OD1 3.04Š|
| 98 | F | 72.1 | Confident | 79.8 | Confident | 135 Ų | 135 | 72.7 Ų | 72.7 | 59% | 0.592 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 148.5 | -169.9 | -58.5 | -79.9 | 0 | 0 | 0 | 113.3 | N95 G96 | N95-F98 PolarHBondContact N-O 2.9Å; G96-F98 PolarHBondContact O-N 2.04Å |
| 99 | C | 82.3 | Confident | 79.8 | Confident | 9 Ų | 9 | 75.2 Ų | 75.2 | 6% | 0.061 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 111.4 | 169.4 | -68.4 | 0 | 0 | 0 | 0 | 110.6 | N26 V27 C88 Y92 Y93 | N26-C99 HydrophobicContact CB-CB 4.01Å; V27-C99 VanDerWaalsContact CG2-SG 3.6Å; C88-C99 WeakPolarHBondContact CA-SG 3.38Å; C88-C99 HydrophobicContact CB-CB 3.8Å; C88-C99 WeakPolarHBondContact CB-SG 3.02Å; C88-C99 WeakPolarHBondContact SG-CA 3.47Å; C88-C99 WeakPolarHBondContact SG-CB 3.44Å; C88-C99 CovalentContact SG-SG 2.04Å; C88-C99 PolarHBondContact SG-SG 2.74Å; Y92-C99 HydrophobicContact CD1-CB 4.27Å; Y93-C99 WeakPolarHBondContact O-CA 3.47Å |
| 100 | I | 78.5 | Confident | 79.9 | Confident | 55 Ų | 55 | 75.4 Ų | 75.4 | 28% | 0.282 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 133.7 | 179.9 | -59.9 | -175.4 | 0 | 0 | 0 | 109.1 | Y92 Y93 N95 L102 | Y92-I100 CarbonylContact C-O 3.55Å; Y92-I100 VanDerWaalsContact CA-O 3.24Å; Y92-I100 WeakPolarHBondContact CA-O 3.37Å; Y93-I100 HydrophobicContact CD1-CB 4.17Å; Y93-I100 HydrophobicContact CD1-CG2 4.42Å; Y93-I100 WeakPolarHBondContact CD1-O 3.14Å; Y93-I100 HydrophobicContact CE1-CB 3.72Å; Y93-I100 HydrophobicContact CE1-CG2 3.6Å; Y93-I100 HydrophobicContact CE2-CB 4.43Å; Y93-I100 PolarHBondContact N-O 2.99Å; Y93-I100 PolarHBondContact O-N 3.35Å; N95-I100 HydrophobicContact CB-CD1 3.64Å; N95-I100 HydrophobicContact CB-CG1 4.15Å; N95-I100 VanDerWaalsContact ND2-CD1 3.32Å; N95-I100 WeakPolarHBondContact ND2-CD1 3.42Å; I100-L102 PolarHBondContact O-N 2.96Å |
| 101 | P | 80.8 | Confident | 80.1 | Confident | 23 Ų | 23 | 78 Ų | 78 | 15% | 0.149 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 136.5 | 176.8 | 27.3 | -35.2 | 0 | 0 | 0 | 111 | Y92 C112 | Y92-P101 HydrophobicContact CD1-CB 4.03Å; Y92-P101 HydrophobicContact CE1-CB 3.88Å; Y92-P101 HydrophobicContact CE1-CG 4.5Å; P101-C112 HydrophobicContact CG-CB 4.46Å |
| 102 | L | 79.4 | Confident | 80.7 | Confident | 93 Ų | 93 | 78.3 Ų | 78.3 | 49% | 0.487 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -98.8 | 118.4 | 173.4 | -169.2 | 73.6 | 0 | 0 | 0 | 108.1 | G91 Y93 I100 P115 D116 | G91-L102 WeakPolarHBondContact O-CB 3.49Å; G91-L102 PolarHBondContact O-N 3.4Å; Y93-L102 HydrophobicContact CD1-CB 4.29Å; Y93-L102 HydrophobicContact CD1-CD1 3.97Å; Y93-L102 HydrophobicContact CE1-CD1 4.36Å; I100-L102 PolarHBondContact O-N 2.96Å; L102-P115 WeakPolarHBondContact O-CA 3.41Å; L102-D116 PolarHBondContact O-N 3.4Å |
| 103 | C | 83.5 | Confident | 80.7 | Confident | 21 Ų | 21 | 79.1 Ų | 79.1 | 14% | 0.142 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -93.6 | 134 | 165.2 | -71.2 | 0 | 0 | 0 | 0 | 107.4 | E105 C112 T117 | C103-E105 CarbonylContact C-O 3.56Å; C103-E105 VanDerWaalsContact CB-O 3.25Å; C103-E105 WeakPolarHBondContact CB-O 3.33Å; C103-C112 HydrophobicContact CB-CB 3.99Å; C103-C112 WeakPolarHBondContact CB-SG 3.48Å; C103-C112 PolarHBondContact N-SG 3.34Å; C103-C112 WeakPolarHBondContact SG-CB 3.34Å; C103-C112 CovalentContact SG-SG 2.05Å; C103-C112 PolarHBondContact SG-SG 2.87Å; C103-T117 PolarHBondContact SG-N 3.22Å; C103-T117 VanDerWaalsContact SG-N 3.4Å |
| 104 | T | 79.4 | Confident | 80.6 | Confident | 112 Ų | 112 | 76.1 Ų | 76.1 | 69% | 0.687 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -67.9 | -35.3 | -178.4 | 42.6 | 0 | 0 | 0 | 0 | 112.9 | D116 | T104-D116 VanDerWaalsContact CB-OD1 3.31Å; T104-D116 WeakPolarHBondContact CB-OD1 3.32Å; T104-D116 VanDerWaalsContact CG2-OD1 3.32Å; T104-D116 WeakPolarHBondContact CG2-OD1 3.45Å; T104-D116 PolarHBondContact N-OD1 2.91Å; T104-D116 PolarHBondContact OG1-OD1 3.46Å |
| 105 | E | 75.9 | Confident | 80.8 | Confident | 143 Ų | 143 | 72.1 Ų | 72.1 | 67% | 0.668 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -101.9 | 149.3 | 164.5 | -60.2 | -63.1 | 163.4 | 0 | 0 | 109.9 | C103 | C103-E105 CarbonylContact C-O 3.56Å; C103-E105 VanDerWaalsContact CB-O 3.25Å; C103-E105 WeakPolarHBondContact CB-O 3.33Å |
| 106 | E | 79.9 | Confident | 81.1 | Confident | 171 Ų | 171 | 72.4 Ų | 72.4 | 80% | 0.799 | 39% | 0.393 | S | S | * | . | trans | -80.3 | 132.6 | -177.8 | -172.6 | 167 | -155 | 0 | 0 | 111.9 | V108 | E106-V108 WeakPolarHBondContact O-CG2 3.49Å; E106-V108 PolarHBondContact O-N 2.87Å | ||
| 107 | C | 86.6 | Confident | 81.5 | Confident | 16 Ų | 16 | 73 Ų | 73 | 11% | 0.108 | 39% | 0.388 | C | S | . | . | trans | -73.4 | 80.8 | -176.3 | -57.7 | 0 | 0 | 0 | 0 | 112.5 | H109 G110 C112 C118 D128 | C107-H109 PolarHBondContact O-N 2.75Å; C107-G110 PolarHBondContact O-N 2.85Å; C107-G110 VanDerWaalsContact O-N 3.15Å; C107-C112 PolarHBondContact SG-N 3.34Å; C107-C112 VanDerWaalsContact SG-N 3.41Å; C107-C118 WeakPolarHBondContact CA-SG 3.22Å; C107-C118 HydrophobicContact CB-CB 3.72Å; C107-C118 WeakPolarHBondContact CB-SG 3.36Å; C107-C118 VanDerWaalsContact SG-CA 3.53Å; C107-C118 WeakPolarHBondContact SG-CB 3.45Å; C107-C118 CovalentContact SG-SG 2.03Å; C107-C118 PolarHBondContact SG-SG 2.05Å; C107-D128 CarbonylContact C-O 3.54Å; C107-D128 VanDerWaalsContact CA-O 3.32Å; C107-D128 WeakPolarHBondContact CA-O 3.37Å | ||
| 108 | V | 85.1 | Confident | 82.2 | Confident | 84 Ų | 84 | 70.4 Ų | 70.4 | 51% | 0.509 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -50.4 | -165.7 | -169.3 | 0 | 0 | 0 | 0 | 113.8 | E106 D128 | E106-V108 WeakPolarHBondContact O-CG2 3.49Å; E106-V108 PolarHBondContact O-N 2.87Å; V108-D128 PolarHBondContact N-O 2.99Å |
| 109 | H | 84.9 | Confident | 82.9 | Confident | 66 Ų | 66 | 68 Ų | 68 | 31% | 0.306 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.4 | 56.9 | 175 | -64.1 | -64.8 | 0 | 0 | 0 | 111 | C107 C120 E121 W124 C129 | C107-H109 PolarHBondContact O-N 2.75Å; H109-C120 WeakPolarHBondContact O-CA 3.49Å; H109-E121 PolarHBondContact O-N 3.41Å; H109-W124 HydrophobicContact CB-CB 3.99Å; H109-W124 HydrophobicContact CB-CD2 3.6Å; H109-W124 HydrophobicContact CB-CE3 4.19Å; H109-W124 HydrophobicContact CB-CG 3.46Å; H109-W124 VanDerWaalsContact CB-CG 3.46Å; H109-W124 AromaticContact CD2-CD2 3.53Å; H109-W124 AromaticContact CD2-CE2 3.52Å; H109-W124 AromaticContact CD2-CE3 3.45Å; H109-W124 VanDerWaalsContact CD2-CE3 3.45Å; H109-W124 AromaticContact CD2-CH2 3.44Å; H109-W124 VanDerWaalsContact CD2-CH2 3.44Å; H109-W124 WeakPolarHBondContact CD2-CH2 3.08Å; H109-W124 AromaticContact CD2-CZ2 3.5Å; H109-W124 AromaticContact CD2-CZ3 3.41Å; H109-W124 VanDerWaalsContact CD2-CZ3 3.41Å; H109-W124 WeakPolarHBondContact CD2-CZ3 3.32Å; H109-W124 AromaticContact CG-CD2 3.64Å; H109-W124 AromaticContact CG-CE2 3.55Å; H109-W124 AromaticContact CG-CZ2 3.9Å; H109-W124 AromaticContact CG-NE1 3.83Å; H109-W124 AromaticContact NE2-CH2 3.53Å; H109-W124 AromaticContact NE2-CZ2 3.62Å; H109-W124 AromaticContact NE2-CZ3 3.93Å; H109-C129 WeakPolarHBondContact O-CB 3.41Å |
| 110 | G | 83.7 | Confident | 83.3 | Confident | 27 Ų | 27 | 67.6 Ų | 67.6 | 28% | 0.278 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.2 | -158.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | C107 H119 | C107-G110 PolarHBondContact O-N 2.85Å; C107-G110 VanDerWaalsContact O-N 3.15Å; G110-H119 CarbonylContact C-O 3.53Å; G110-H119 WeakPolarHBondContact CA-O 3.32Å |
| 111 | R | 85.6 | Confident | 83.6 | Confident | 171 Ų | 171 | 70.5 Ų | 70.5 | 65% | 0.645 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 142.2 | 173 | 62.2 | -177.3 | -178.9 | 177.9 | -0.8 | 111.2 | V113 C118 H119 | R111-V113 HydrophobicContact CG-CG1 4.07Å; R111-V113 PolarHBondContact O-N 3.04Å; R111-C118 CarbonylContact O-C 3.56Å; R111-H119 HydrophobicContact CG-CB 4.4Å; R111-H119 PolarHBondContact N-O 2.03Å; R111-H119 PolarHBondContact O-N 2.88Å |
| 112 | C | 86.6 | Confident | 83.9 | Confident | 37 Ų | 37 | 72.5 Ų | 72.5 | 25% | 0.25 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 124.9 | 172.6 | -163.5 | 0 | 0 | 0 | 0 | 109.1 | P101 C103 C107 S114 | P101-C112 HydrophobicContact CG-CB 4.46Å; C103-C112 HydrophobicContact CB-CB 3.99Å; C103-C112 WeakPolarHBondContact CB-SG 3.48Å; C103-C112 PolarHBondContact N-SG 3.34Å; C103-C112 WeakPolarHBondContact SG-CB 3.34Å; C103-C112 CovalentContact SG-SG 2.05Å; C103-C112 PolarHBondContact SG-SG 2.87Å; C107-C112 PolarHBondContact SG-N 3.34Å; C107-C112 VanDerWaalsContact SG-N 3.41Å; C112-S114 PolarHBondContact SG-O 3.13Å; C112-S114 VanDerWaalsContact SG-O 3.34Å |
| 113 | V | 83.8 | Confident | 83.9 | Confident | 70 Ų | 70 | 68.4 Ų | 68.4 | 42% | 0.424 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | -24 | -177.6 | -68.6 | 0 | 0 | 0 | 0 | 113.5 | R111 T117 H119 | R111-V113 HydrophobicContact CG-CG1 4.07Å; R111-V113 PolarHBondContact O-N 3.04Å; V113-T117 HydrophobicContact CG2-CG2 4.12Å; V113-T117 WeakPolarHBondContact CG2-O 3.48Å; V113-T117 PolarHBondContact N-O 3.34Å; V113-H119 HydrophobicContact CG1-CB 3.6Å; V113-H119 HydrophobicContact CG2-CB 4.04Å |
| 114 | S | 82.3 | Confident | 84.1 | Confident | 40 Ų | 40 | 71.3 Ų | 71.3 | 28% | 0.28 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 166.7 | 167.5 | 45.6 | 0 | 0 | 0 | 0 | 107.6 | C112 D116 T117 | C112-S114 PolarHBondContact SG-O 3.13Å; C112-S114 VanDerWaalsContact SG-O 3.34Å; S114-D116 PolarHBondContact O-N 3.14Å; S114-T117 WeakPolarHBondContact O-CA 3.03Å; S114-T117 WeakPolarHBondContact O-CB 3.12Å; S114-T117 PolarHBondContact O-N 2.96Å; S114-T117 WeakPolarHBondContact OG-CB 3.03Å; S114-T117 WeakPolarHBondContact OG-CG2 3.06Å; S114-T117 PolarHBondContact OG-OG1 3.03Å |
| 115 | P | 82.6 | Confident | 84.4 | Confident | 36 Ų | 36 | 66 Ų | 66 | 23% | 0.234 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 135 | -176.9 | -24.6 | 34 | 0 | 0 | 0 | 111.1 | G91 Y92 L102 T117 | G91-P115 WeakPolarHBondContact O-CG 3.43Å; Y92-P115 HydrophobicContact CD2-CG 3.69Å; Y92-P115 HydrophobicContact CE2-CG 3.26Å; L102-P115 WeakPolarHBondContact O-CA 3.41Å; P115-T117 PolarHBondContact O-N 2.64Å; P115-T117 PolarHBondContact O-OG1 3.21Å |
| 116 | D | 81.4 | Confident | 84.7 | Confident | 98 Ų | 98 | 60.9 Ų | 60.9 | 52% | 0.524 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 27.6 | -175.9 | -55.4 | -46.1 | 0 | 0 | 0 | 114.5 | L102 T104 S114 | L102-D116 PolarHBondContact O-N 3.4Å; T104-D116 VanDerWaalsContact CB-OD1 3.31Å; T104-D116 WeakPolarHBondContact CB-OD1 3.32Å; T104-D116 VanDerWaalsContact CG2-OD1 3.32Å; T104-D116 WeakPolarHBondContact CG2-OD1 3.45Å; T104-D116 PolarHBondContact N-OD1 2.91Å; T104-D116 PolarHBondContact OG1-OD1 3.46Å; S114-D116 PolarHBondContact O-N 3.14Å |
| 117 | T | 84.1 | Confident | 84.8 | Confident | 59 Ų | 59 | 58.2 Ų | 58.2 | 36% | 0.362 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 100.1 | -177.7 | -42.1 | 0 | 0 | 0 | 0 | 111 | C103 V113 S114 P115 | C103-T117 PolarHBondContact SG-N 3.22Å; C103-T117 VanDerWaalsContact SG-N 3.4Å; V113-T117 HydrophobicContact CG2-CG2 4.12Å; V113-T117 WeakPolarHBondContact CG2-O 3.48Å; V113-T117 PolarHBondContact N-O 3.34Å; S114-T117 WeakPolarHBondContact O-CA 3.03Å; S114-T117 WeakPolarHBondContact O-CB 3.12Å; S114-T117 PolarHBondContact O-N 2.96Å; S114-T117 WeakPolarHBondContact OG-CB 3.03Å; S114-T117 WeakPolarHBondContact OG-CG2 3.06Å; S114-T117 PolarHBondContact OG-OG1 3.03Å; P115-T117 PolarHBondContact O-N 2.64Å; P115-T117 PolarHBondContact O-OG1 3.21Å |
| 118 | C | 87.6 | Confident | 84.8 | Confident | 13 Ų | 13 | 59.4 Ų | 59.4 | 9% | 0.088 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 151.9 | 171.7 | -60.5 | 0 | 0 | 0 | 0 | 112.1 | C107 R111 P127 C129 H141 | C107-C118 WeakPolarHBondContact CA-SG 3.22Å; C107-C118 HydrophobicContact CB-CB 3.72Å; C107-C118 WeakPolarHBondContact CB-SG 3.36Å; C107-C118 VanDerWaalsContact SG-CA 3.53Å; C107-C118 WeakPolarHBondContact SG-CB 3.45Å; C107-C118 CovalentContact SG-SG 2.03Å; C107-C118 PolarHBondContact SG-SG 2.05Å; R111-C118 CarbonylContact O-C 3.56Å; C118-P127 WeakPolarHBondContact CB-O 3Å; C118-C129 WeakPolarHBondContact CB-SG 3.45Å; C118-H141 PolarHBondContact O-CE1 3.07Å |
| 119 | H | 88 | Confident | 84.9 | Confident | 83 Ų | 83 | 55.4 Ų | 55.4 | 38% | 0.384 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 110.5 | 166.3 | -176.7 | 91 | 0 | 0 | 0 | 109.4 | G110 R111 V113 H141 | G110-H119 CarbonylContact C-O 3.53Å; G110-H119 WeakPolarHBondContact CA-O 3.32Å; R111-H119 HydrophobicContact CG-CB 4.4Å; R111-H119 PolarHBondContact N-O 2.03Å; R111-H119 PolarHBondContact O-N 2.88Å; V113-H119 HydrophobicContact CG1-CB 3.6Å; V113-H119 HydrophobicContact CG2-CB 4.04Å; H119-H141 AromaticContact CG-NE2 3.85Å; H119-H141 AromaticContact ND1-NE2 3.51Å |
| 120 | C | 89.5 | Confident | 84.9 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.014 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 148.4 | -169.9 | -48 | 0 | 0 | 0 | 0 | 113.7 | H109 W124 C129 P140 H141 | H109-C120 WeakPolarHBondContact O-CA 3.49Å; C120-W124 HydrophobicContact CB-CB 4.27Å; C120-W124 WeakPolarHBondContact CB-O 3.19Å; C120-C129 WeakPolarHBondContact CA-SG 3.02Å; C120-C129 HydrophobicContact CB-CB 3.64Å; C120-C129 WeakPolarHBondContact CB-SG 3.44Å; C120-C129 PolarHBondContact N-SG 3.35Å; C120-C129 WeakPolarHBondContact SG-CA 3.48Å; C120-C129 WeakPolarHBondContact SG-CB 3.46Å; C120-C129 CovalentContact SG-SG 2.03Å; C120-C129 PolarHBondContact SG-SG 2.03Å; C120-P140 WeakPolarHBondContact O-CB 3.47Å; C120-H141 PolarHBondContact N-CE1 3.27Å; C120-H141 PolarHBondContact N-NE2 3.48Å |
| 121 | E | 85.6 | Confident | 84.9 | Confident | 116 Ų | 116 | 56.4 Ų | 56.4 | 54% | 0.542 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 157.1 | 170.9 | -61 | -165.2 | 136.9 | 0 | 0 | 111.4 | H109 G123 W124 | H109-E121 PolarHBondContact O-N 3.41Å; E121-G123 PolarHBondContact O-N 3.43Å; E121-W124 PolarHBondContact O-N 2.72Å; E121-W124 VanDerWaalsContact O-N 3.08Å |
| 122 | P | 85.9 | Confident | 84.8 | Confident | 65 Ų | 65 | 50.3 Ų | 50.3 | 42% | 0.422 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 126.7 | 180 | -24.6 | 35.7 | 0 | 0 | 0 | 112.8 | P140 I157 | P122-P140 HydrophobicContact CG-CB 4.45Å; P122-I157 HydrophobicContact CB-CG2 4.09Å |
| 123 | G | 80.9 | Confident | 84.8 | Confident | 6 Ų | 6 | 49.6 Ų | 49.6 | 6% | 0.062 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 101.3 | -5.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | E121 G132 C133 G139 P156 | E121-G123 PolarHBondContact O-N 3.43Å; G123-G132 WeakPolarHBondContact O-CA 3.01Å; G123-C133 PolarHBondContact O-N 2.82Å; G123-C133 PolarHBondContact O-SG 2.9Å; G123-G139 PolarHBondContact N-O 3.21Å; G123-P156 WeakPolarHBondContact CA-O 3.45Å |
| 124 | W | 87 | Confident | 84.7 | Confident | 82 Ų | 82 | 52.1 Ų | 52.1 | 31% | 0.311 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 153.1 | 179.5 | -58.7 | 94.1 | 0 | 0 | 0 | 112.6 | H109 C120 E121 S131 H141 | H109-W124 HydrophobicContact CB-CB 3.99Å; H109-W124 HydrophobicContact CB-CD2 3.6Å; H109-W124 HydrophobicContact CB-CE3 4.19Å; H109-W124 HydrophobicContact CB-CG 3.46Å; H109-W124 VanDerWaalsContact CB-CG 3.46Å; H109-W124 AromaticContact CD2-CD2 3.53Å; H109-W124 AromaticContact CD2-CE2 3.52Å; H109-W124 AromaticContact CD2-CE3 3.45Å; H109-W124 VanDerWaalsContact CD2-CE3 3.45Å; H109-W124 AromaticContact CD2-CH2 3.44Å; H109-W124 VanDerWaalsContact CD2-CH2 3.44Å; H109-W124 WeakPolarHBondContact CD2-CH2 3.08Å; H109-W124 AromaticContact CD2-CZ2 3.5Å; H109-W124 AromaticContact CD2-CZ3 3.41Å; H109-W124 VanDerWaalsContact CD2-CZ3 3.41Å; H109-W124 WeakPolarHBondContact CD2-CZ3 3.32Å; H109-W124 AromaticContact CG-CD2 3.64Å; H109-W124 AromaticContact CG-CE2 3.55Å; H109-W124 AromaticContact CG-CZ2 3.9Å; H109-W124 AromaticContact CG-NE1 3.83Å; H109-W124 AromaticContact NE2-CH2 3.53Å; H109-W124 AromaticContact NE2-CZ2 3.62Å; H109-W124 AromaticContact NE2-CZ3 3.93Å; C120-W124 HydrophobicContact CB-CB 4.27Å; C120-W124 WeakPolarHBondContact CB-O 3.19Å; E121-W124 PolarHBondContact O-N 2.72Å; E121-W124 VanDerWaalsContact O-N 3.08Å; W124-S131 CarbonylContact C-O 3.52Å; W124-S131 WeakPolarHBondContact CA-O 3.12Å; W124-H141 VanDerWaalsContact O-CA 3.23Å; W124-H141 WeakPolarHBondContact O-CA 3.43Å; W124-H141 PolarHBondContact O-N 2.74Å |
| 125 | G | 85.1 | Confident | 84.3 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | -168.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | C129 S131 | G125-C129 CarbonylContact O-C 3.54Å; G125-C129 WeakPolarHBondContact O-CA 3.44Å; G125-S131 PolarHBondContact N-O 3.46Å; G125-S131 PolarHBondContact O-N 3.42Å; G125-S131 VanDerWaalsContact O-N 3.17Å; G125-S131 VanDerWaalsContact O-O 3.08Å; G125-S131 PolarHBondContact O-OG 3.21Å |
| 126 | G | 82.9 | Confident | 84.1 | Confident | 36 Ų | 36 | 56 Ų | 56 | 37% | 0.371 | 34% | 0.336 | S | S | . | . | S | Bend | trans | 87.2 | 167.3 | -164.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D128 C129 S131 | G126-D128 VanDerWaalsContact C-N 3.28Å; G126-D128 PolarHBondContact O-N 3.17Å; G126-C129 PolarHBondContact O-N 3.37Å; G126-S131 PolarHBondContact N-OG 3.15Å |
| 127 | P | 81.4 | Confident | 84.4 | Confident | 115 Ų | 115 | 54.5 Ų | 54.5 | 75% | 0.747 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -28.9 | -172.2 | 28.3 | -35.2 | 0 | 0 | 0 | 113.6 | C118 | C118-P127 WeakPolarHBondContact CB-O 3Š|
| 128 | D | 86.1 | Confident | 84.5 | Confident | 41 Ų | 41 | 55.3 Ų | 55.3 | 22% | 0.219 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -0.9 | -179.2 | 62.1 | -13.7 | 0 | 0 | 0 | 112.8 | C107 V108 G126 S130 | C107-D128 CarbonylContact C-O 3.54Å; C107-D128 VanDerWaalsContact CA-O 3.32Å; C107-D128 WeakPolarHBondContact CA-O 3.37Å; V108-D128 PolarHBondContact N-O 2.99Å; G126-D128 VanDerWaalsContact C-N 3.28Å; G126-D128 PolarHBondContact O-N 3.17Å; D128-S130 PolarHBondContact O-N 3.32Å; D128-S130 PolarHBondContact OD1-N 2.79Å; D128-S130 PolarHBondContact OD1-OG 2.92Å; D128-S130 WeakPolarHBondContact OD2-CB 3.45Å; D128-S130 PolarHBondContact OD2-OG 3.39Å |
| 129 | C | 87.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | S | Bend | trans | 59.6 | 24.3 | -171.1 | -49.1 | 0 | 0 | 0 | 0 | 115.2 | H109 C118 C120 G125 G126 | H109-C129 WeakPolarHBondContact O-CB 3.41Å; C118-C129 WeakPolarHBondContact CB-SG 3.45Å; C120-C129 WeakPolarHBondContact CA-SG 3.02Å; C120-C129 HydrophobicContact CB-CB 3.64Å; C120-C129 WeakPolarHBondContact CB-SG 3.44Å; C120-C129 PolarHBondContact N-SG 3.35Å; C120-C129 WeakPolarHBondContact SG-CA 3.48Å; C120-C129 WeakPolarHBondContact SG-CB 3.46Å; C120-C129 CovalentContact SG-SG 2.03Å; C120-C129 PolarHBondContact SG-SG 2.03Å; G125-C129 CarbonylContact O-C 3.54Å; G125-C129 WeakPolarHBondContact O-CA 3.44Å; G126-C129 PolarHBondContact O-N 3.37Å |
| 130 | S | 84.8 | Confident | 84.1 | Confident | 58 Ų | 58 | 53 Ų | 53 | 41% | 0.406 | 31% | 0.314 | S | S | . | . | trans | -83.3 | -19 | 178.8 | 67.9 | 0 | 0 | 0 | 0 | 114.3 | D128 | D128-S130 PolarHBondContact O-N 3.32Å; D128-S130 PolarHBondContact OD1-N 2.79Å; D128-S130 PolarHBondContact OD1-OG 2.92Å; D128-S130 WeakPolarHBondContact OD2-CB 3.45Å; D128-S130 PolarHBondContact OD2-OG 3.39Å | ||
| 131 | S | 84.3 | Confident | 83.9 | Confident | 56 Ų | 56 | 56.7 Ų | 56.7 | 39% | 0.392 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 125.9 | -178.9 | 63.7 | 0 | 0 | 0 | 0 | 112.1 | W124 G125 G126 | W124-S131 CarbonylContact C-O 3.52Å; W124-S131 WeakPolarHBondContact CA-O 3.12Å; G125-S131 PolarHBondContact N-O 3.46Å; G125-S131 PolarHBondContact O-N 3.42Å; G125-S131 VanDerWaalsContact O-N 3.17Å; G125-S131 VanDerWaalsContact O-O 3.08Å; G125-S131 PolarHBondContact O-OG 3.21Å; G126-S131 PolarHBondContact N-OG 3.15Å |
| 132 | G | 84.1 | Confident | 83.9 | Confident | 43 Ų | 43 | 52.2 Ų | 52.2 | 44% | 0.443 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 152.8 | 169 | 0 | 0 | 0 | 0 | 0 | 111.1 | G123 | G123-G132 WeakPolarHBondContact O-CA 3.01Å |
| 133 | C | 85.3 | Confident | 83.8 | Confident | 21 Ų | 21 | 53.1 Ų | 53.1 | 14% | 0.142 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 134.1 | -177 | -54.6 | 0 | 0 | 0 | 0 | 113.7 | G123 H137 C142 P156 | G123-C133 PolarHBondContact O-N 2.82Å; G123-C133 PolarHBondContact O-SG 2.9Å; C133-H137 VanDerWaalsContact CB-O 3.31Å; C133-H137 WeakPolarHBondContact CB-O 3.27Å; C133-C142 WeakPolarHBondContact CA-SG 3.31Å; C133-C142 HydrophobicContact CB-CB 3.76Å; C133-C142 WeakPolarHBondContact CB-SG 3.47Å; C133-C142 WeakPolarHBondContact SG-CA 3.01Å; C133-C142 WeakPolarHBondContact SG-CB 3.36Å; C133-C142 CovalentContact SG-SG 2.03Å; C133-C142 PolarHBondContact SG-SG 3.03Å; C133-P156 HydrophobicContact CB-CB 3.91Å |
| 134 | D | 81.7 | Confident | 83.9 | Confident | 124 Ų | 124 | 55.9 Ų | 55.9 | 66% | 0.663 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 159.4 | 169.2 | -68.6 | -49.7 | 0 | 0 | 0 | 112.3 | D136 H137 | D134-D136 PolarHBondContact O-N 3.02Å; D134-H137 PolarHBondContact O-N 3.29Å; D134-H137 VanDerWaalsContact O-O 3.11Å |
| 135 | S | 73.8 | Confident | 83.8 | Confident | 71 Ų | 71 | 60 Ų | 60 | 50% | 0.497 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -8.3 | -178.1 | 58.8 | 0 | 0 | 0 | 0 | 116.6 | C154 | S135-C154 PolarHBondContact O-SG 3.37Š|
| 136 | D | 79.6 | Confident | 83.8 | Confident | 85 Ų | 85 | 61 Ų | 61 | 46% | 0.455 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -5.5 | 176.9 | -90.2 | 8.8 | 0 | 0 | 0 | 113.1 | D134 R145 C146 | D134-D136 PolarHBondContact O-N 3.02Å; D136-R145 WeakPolarHBondContact O-CA 3.31Å; D136-R145 WeakPolarHBondContact O-CG 3.35Å; D136-C146 VanDerWaalsContact C-SG 3.55Å; D136-C146 WeakPolarHBondContact O-CB 3.33Å; D136-C146 PolarHBondContact O-N 2.03Å |
| 137 | H | 86.4 | Confident | 84 | Confident | 67 Ų | 67 | 65.7 Ų | 65.7 | 31% | 0.31 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 152.9 | -169 | -66 | 101 | 0 | 0 | 0 | 114.2 | C133 D134 C142 N144 C146 | C133-H137 VanDerWaalsContact CB-O 3.31Å; C133-H137 WeakPolarHBondContact CB-O 3.27Å; D134-H137 PolarHBondContact O-N 3.29Å; D134-H137 VanDerWaalsContact O-O 3.11Å; H137-C142 HydrophobicContact CB-CB 4.01Å; H137-C142 WeakPolarHBondContact CB-O 3.47Å; H137-N144 CarbonylContact C-O 3.38Å; H137-N144 VanDerWaalsContact CA-O 3.31Å; H137-N144 WeakPolarHBondContact CA-O 3.23Å; H137-C146 PolarHBondContact N-SG 2.91Å |
| 138 | W | 88 | Confident | 84.2 | Confident | 76 Ų | 76 | 61.6 Ų | 61.6 | 29% | 0.288 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 168.4 | -176.1 | 71.8 | -80.1 | 0 | 0 | 0 | 114.5 | C142 S143 N144 R145 P156 G159 | W138-C142 CarbonylContact O-C 3.44Å; W138-S143 PolarHBondContact O-N 3.25Å; W138-N144 HydrophobicContact CD2-CB 3.84Å; W138-N144 VanDerWaalsContact CE2-CB 3.46Å; W138-N144 HydrophobicContact CG-CB 4.03Å; W138-N144 HydrophobicContact CZ2-CB 3.94Å; W138-N144 PolarHBondContact N-O 2.99Å; W138-N144 WeakPolarHBondContact O-CB 3.33Å; W138-N144 PolarHBondContact O-N 2.91Å; W138-N144 PolarHBondContact O-ND2 3.13Å; W138-N144 VanDerWaalsContact O-ND2 3.08Å; W138-R145 PolarHBondContact NE1-O 3.47Å; W138-P156 CarbonylContact C-O 3.57Å; W138-P156 WeakPolarHBondContact CA-O 3.44Å; W138-P156 WeakPolarHBondContact CB-O 3.37Å; W138-G159 VanDerWaalsContact CE3-N 3.31Å; W138-G159 VanDerWaalsContact CG-CA 3.46Å |
| 139 | G | 83.4 | Confident | 83.9 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.01 | 35% | 0.35 | C | S | . | . | S | Bend | trans | 82.2 | -170.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G123 C142 P156 | G123-G139 PolarHBondContact N-O 3.21Å; G139-C142 PolarHBondContact O-N 3.27Å; G139-P156 PolarHBondContact N-O 2.9Å |
| 140 | P | 83.4 | Confident | 83.5 | Confident | 46 Ų | 46 | 67.2 Ų | 67.2 | 30% | 0.299 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -68.6 | 140.5 | 179.3 | 29.4 | -34.6 | 0 | 0 | 0 | 110.2 | C120 P122 C142 S143 | C120-P140 WeakPolarHBondContact O-CB 3.47Å; P122-P140 HydrophobicContact CG-CB 4.45Å; P140-C142 PolarHBondContact O-N 3.15Å; P140-C142 VanDerWaalsContact O-N 3.15Å; P140-S143 WeakPolarHBondContact O-CB 3.38Å; P140-S143 PolarHBondContact O-N 3.08Å; P140-S143 PolarHBondContact O-OG 2.02Å |
| 141 | H | 84.2 | Confident | 82.9 | Confident | 80 Ų | 80 | 67.8 Ų | 67.8 | 37% | 0.37 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | 58 | 17.1 | -172.6 | -58.9 | -96.8 | 0 | 0 | 0 | 114.2 | C118 H119 C120 W124 S143 | C118-H141 PolarHBondContact O-CE1 3.07Å; H119-H141 AromaticContact CG-NE2 3.85Å; H119-H141 AromaticContact ND1-NE2 3.51Å; C120-H141 PolarHBondContact N-CE1 3.27Å; C120-H141 PolarHBondContact N-NE2 3.48Å; W124-H141 VanDerWaalsContact O-CA 3.23Å; W124-H141 WeakPolarHBondContact O-CA 3.43Å; W124-H141 PolarHBondContact O-N 2.74Å; H141-S143 PolarHBondContact O-N 3.29Å |
| 142 | C | 85.3 | Confident | 82.6 | Confident | 23 Ų | 23 | 65.7 Ų | 65.7 | 16% | 0.155 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | 52.5 | 28 | -173 | -50 | 0 | 0 | 0 | 0 | 113.5 | C133 H137 W138 G139 P140 N144 | C133-C142 WeakPolarHBondContact CA-SG 3.31Å; C133-C142 HydrophobicContact CB-CB 3.76Å; C133-C142 WeakPolarHBondContact CB-SG 3.47Å; C133-C142 WeakPolarHBondContact SG-CA 3.01Å; C133-C142 WeakPolarHBondContact SG-CB 3.36Å; C133-C142 CovalentContact SG-SG 2.03Å; C133-C142 PolarHBondContact SG-SG 3.03Å; H137-C142 HydrophobicContact CB-CB 4.01Å; H137-C142 WeakPolarHBondContact CB-O 3.47Å; W138-C142 CarbonylContact O-C 3.44Å; G139-C142 PolarHBondContact O-N 3.27Å; P140-C142 PolarHBondContact O-N 3.15Å; P140-C142 VanDerWaalsContact O-N 3.15Å; C142-N144 VanDerWaalsContact C-N 3.3Å; C142-N144 PolarHBondContact O-N 2.82Å |
| 143 | S | 85.4 | Confident | 82.5 | Confident | 84 Ų | 84 | 68.7 Ų | 68.7 | 59% | 0.587 | 38% | 0.376 | S | S | * | . | trans | -73.2 | -15 | -166.5 | 52.8 | 0 | 0 | 0 | 0 | 115 | W138 P140 H141 | W138-S143 PolarHBondContact O-N 3.25Å; P140-S143 WeakPolarHBondContact O-CB 3.38Å; P140-S143 PolarHBondContact O-N 3.08Å; P140-S143 PolarHBondContact O-OG 2.02Å; H141-S143 PolarHBondContact O-N 3.29Å | ||
| 144 | N | 82.3 | Confident | 82.5 | Confident | 63 Ų | 63 | 68.3 Ų | 68.3 | 34% | 0.337 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 129.6 | -177.3 | -52.3 | -85 | 0 | 0 | 0 | 109.9 | H137 W138 C142 | H137-N144 CarbonylContact C-O 3.38Å; H137-N144 VanDerWaalsContact CA-O 3.31Å; H137-N144 WeakPolarHBondContact CA-O 3.23Å; W138-N144 HydrophobicContact CD2-CB 3.84Å; W138-N144 VanDerWaalsContact CE2-CB 3.46Å; W138-N144 HydrophobicContact CG-CB 4.03Å; W138-N144 HydrophobicContact CZ2-CB 3.94Å; W138-N144 PolarHBondContact N-O 2.99Å; W138-N144 WeakPolarHBondContact O-CB 3.33Å; W138-N144 PolarHBondContact O-N 2.91Å; W138-N144 PolarHBondContact O-ND2 3.13Å; W138-N144 VanDerWaalsContact O-ND2 3.08Å; C142-N144 VanDerWaalsContact C-N 3.3Å; C142-N144 PolarHBondContact O-N 2.82Å |
| 145 | R | 85.3 | Confident | 82.5 | Confident | 170 Ų | 170 | 65.3 Ų | 65.3 | 64% | 0.642 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 138.5 | 175 | -163.2 | 179.9 | 179 | -158.6 | -2.3 | 111.3 | D136 W138 | D136-R145 WeakPolarHBondContact O-CA 3.31Å; D136-R145 WeakPolarHBondContact O-CG 3.35Å; W138-R145 PolarHBondContact NE1-O 3.47Å |
| 146 | C | 85.5 | Confident | 82.7 | Confident | 20 Ų | 20 | 64.3 Ų | 64.3 | 14% | 0.135 | 35% | 0.349 | C | S | . | . | trans | -71.1 | 146.3 | 174.6 | -63.8 | 0 | 0 | 0 | 0 | 111.7 | D136 H137 C154 | D136-C146 VanDerWaalsContact C-SG 3.55Å; D136-C146 WeakPolarHBondContact O-CB 3.33Å; D136-C146 PolarHBondContact O-N 2.03Å; H137-C146 PolarHBondContact N-SG 2.91Å; C146-C154 HydrophobicContact CB-CB 3.55Å; C146-C154 WeakPolarHBondContact CB-SG 3.33Å; C146-C154 WeakPolarHBondContact SG-CB 3.22Å; C146-C154 CovalentContact SG-SG 2.02Å; C146-C154 PolarHBondContact SG-SG 2.86Å | ||
| 147 | Q | 85.8 | Confident | 82.8 | Confident | 135 Ų | 135 | 64.8 Ų | 64.8 | 63% | 0.631 | 35% | 0.351 | S | S | * | . | trans | -114.7 | 13.9 | -174.1 | -58.5 | -172.4 | 14.5 | 0 | 0 | 113.1 | R171 | Q147-R171 HydrophobicContact CB-CG 4.37Å; Q147-R171 WeakPolarHBondContact O-CB 3.32Å; Q147-R171 WeakPolarHBondContact O-CD 3.03Å; Q147-R171 WeakPolarHBondContact O-CG 3.37Å | ||
| 148 | C | 85.6 | Confident | 82.6 | Confident | 30 Ų | 30 | 65.4 Ų | 65.4 | 20% | 0.203 | 36% | 0.359 | C | S | . | . | trans | -70.3 | 149 | -176.9 | -49.2 | 0 | 0 | 0 | 0 | 111.5 | A152 C161 | C148-A152 HydrophobicContact CB-CB 4.06Å; C148-A152 WeakPolarHBondContact CB-O 3.48Å; C148-C161 WeakPolarHBondContact CA-SG 3.23Å; C148-C161 HydrophobicContact CB-CB 3.84Å; C148-C161 WeakPolarHBondContact CB-SG 3.5Å; C148-C161 VanDerWaalsContact SG-CA 3.51Å; C148-C161 WeakPolarHBondContact SG-CB 3.05Å; C148-C161 CovalentContact SG-SG 2.03Å; C148-C161 PolarHBondContact SG-SG 3.36Å | ||
| 149 | Q | 81.1 | Confident | 82.2 | Confident | 81 Ų | 81 | 62.5 Ų | 62.5 | 38% | 0.379 | 35% | 0.353 | S | S | . | . | trans | -120 | 172.4 | -176.9 | -58.6 | -173.1 | 20.1 | 0 | 0 | 110.6 | G151 A152 R171 | Q149-G151 PolarHBondContact O-N 3.08Å; Q149-A152 VanDerWaalsContact O-CB 3.3Å; Q149-A152 WeakPolarHBondContact O-CB 2.96Å; Q149-A152 PolarHBondContact O-N 3.05Å; Q149-R171 HydrophobicContact CG-CB 4.41Å; Q149-R171 PolarHBondContact N-O 2.88Å | ||
| 150 | N | 77.9 | Confident | 82.1 | Confident | 77 Ų | 77 | 65 Ų | 65 | 41% | 0.412 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 27.3 | 173.1 | -60.1 | -45.5 | 0 | 0 | 0 | 115.5 | F167 C172 | N150-F167 HydrophobicContact CB-CD1 3.79Å; N150-F167 HydrophobicContact CB-CD2 4.07Å; N150-F167 HydrophobicContact CB-CE1 3.72Å; N150-F167 HydrophobicContact CB-CE2 4.01Å; N150-F167 HydrophobicContact CB-CG 3.96Å; N150-F167 HydrophobicContact CB-CZ 3.84Å; N150-F167 VanDerWaalsContact CG-CE1 3.47Å; N150-F167 WeakPolarHBondContact ND2-CD1 3.3Å; N150-F167 WeakPolarHBondContact ND2-CE1 3.05Å; N150-C172 PolarHBondContact ND2-O 2.81Å |
| 151 | G | 72.6 | Confident | 82.2 | Confident | 70 Ų | 70 | 64.2 Ų | 64.2 | 72% | 0.722 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | 15.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q149 | Q149-G151 PolarHBondContact O-N 3.08Š|
| 152 | A | 78 | Confident | 82 | Confident | 13 Ų | 13 | 64.8 Ų | 64.8 | 11% | 0.107 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 136.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | C148 Q149 V162 C172 | C148-A152 HydrophobicContact CB-CB 4.06Å; C148-A152 WeakPolarHBondContact CB-O 3.48Å; Q149-A152 VanDerWaalsContact O-CB 3.3Å; Q149-A152 WeakPolarHBondContact O-CB 2.96Å; Q149-A152 PolarHBondContact O-N 3.05Å; A152-V162 WeakPolarHBondContact CB-O 3.34Å; A152-C172 HydrophobicContact CB-CB 3.6Å; A152-C172 WeakPolarHBondContact CB-SG 3.35Å |
| 153 | L | 81.9 | Confident | 81.9 | Confident | 106 Ų | 106 | 64.5 Ų | 64.5 | 56% | 0.555 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 144.2 | 178 | -62.3 | 170.7 | 0 | 0 | 0 | 110.1 | V162 | L153-V162 PolarHBondContact N-O 2.79Å; L153-V162 PolarHBondContact O-N 3.47Å |
| 154 | C | 84.9 | Confident | 81.6 | Confident | 13 Ų | 13 | 62.1 Ų | 62.1 | 9% | 0.088 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 155.1 | 169.5 | 56.1 | 0 | 0 | 0 | 0 | 112.5 | S135 C146 A160 | S135-C154 PolarHBondContact O-SG 3.37Å; C146-C154 HydrophobicContact CB-CB 3.55Å; C146-C154 WeakPolarHBondContact CB-SG 3.33Å; C146-C154 WeakPolarHBondContact SG-CB 3.22Å; C146-C154 CovalentContact SG-SG 2.02Å; C146-C154 PolarHBondContact SG-SG 2.86Å; C154-A160 CarbonylContact C-O 3.55Å; C154-A160 WeakPolarHBondContact CA-O 3.48Å |
| 155 | N | 82.7 | Confident | 81.5 | Confident | 60 Ų | 60 | 60.7 Ų | 60.7 | 32% | 0.321 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 124.5 | 164.2 | -178 | -62.8 | 0 | 0 | 0 | 109.5 | I157 T158 G159 A160 | N155-I157 PolarHBondContact O-N 3.49Å; N155-I157 WeakPolarHBondContact OD1-CA 3.27Å; N155-I157 WeakPolarHBondContact OD1-CB 3.32Å; N155-I157 PolarHBondContact OD1-N 2.92Å; N155-T158 WeakPolarHBondContact CB-OG1 3.37Å; N155-T158 PolarHBondContact O-N 3.37Å; N155-T158 PolarHBondContact OD1-N 3.39Å; N155-T158 VanDerWaalsContact OD1-N 3.1Å; N155-T158 PolarHBondContact OD1-OG1 3.13Å; N155-G159 WeakPolarHBondContact O-CA 3.35Å; N155-G159 PolarHBondContact O-N 3.27Å; N155-A160 HydrophobicContact CB-CB 4.48Å; N155-A160 PolarHBondContact N-O 2.98Å |
| 156 | P | 78 | Confident | 81.2 | Confident | 50 Ų | 50 | 52.6 Ų | 52.6 | 33% | 0.325 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -17 | -174.8 | 27.9 | -35.7 | 0 | 0 | 0 | 113.7 | G123 C133 W138 G139 | G123-P156 WeakPolarHBondContact CA-O 3.45Å; C133-P156 HydrophobicContact CB-CB 3.91Å; W138-P156 CarbonylContact C-O 3.57Å; W138-P156 WeakPolarHBondContact CA-O 3.44Å; W138-P156 WeakPolarHBondContact CB-O 3.37Å; G139-P156 PolarHBondContact N-O 2.9Å |
| 157 | I | 80.6 | Confident | 81.1 | Confident | 96 Ų | 96 | 52.3 Ų | 52.3 | 49% | 0.492 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -42.4 | 178.6 | -54.5 | -178.8 | 0 | 0 | 0 | 110.7 | P122 N155 | P122-I157 HydrophobicContact CB-CG2 4.09Å; N155-I157 PolarHBondContact O-N 3.49Å; N155-I157 WeakPolarHBondContact OD1-CA 3.27Å; N155-I157 WeakPolarHBondContact OD1-CB 3.32Å; N155-I157 PolarHBondContact OD1-N 2.92Å |
| 158 | T | 82.6 | Confident | 80.9 | Confident | 80 Ų | 80 | 50.9 Ų | 50.9 | 49% | 0.491 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119 | -6.9 | -167.1 | 63.9 | 0 | 0 | 0 | 0 | 115.7 | N155 A160 | N155-T158 WeakPolarHBondContact CB-OG1 3.37Å; N155-T158 PolarHBondContact O-N 3.37Å; N155-T158 PolarHBondContact OD1-N 3.39Å; N155-T158 VanDerWaalsContact OD1-N 3.1Å; N155-T158 PolarHBondContact OD1-OG1 3.13Å; T158-A160 PolarHBondContact O-N 2.84Å; T158-A160 VanDerWaalsContact O-N 3.15Å |
| 159 | G | 79.3 | Confident | 80.6 | Confident | 14 Ų | 14 | 51 Ų | 51 | 14% | 0.144 | 32% | 0.318 | C | S | . | . | trans | 71.8 | -2.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | W138 N155 | W138-G159 VanDerWaalsContact CE3-N 3.31Å; W138-G159 VanDerWaalsContact CG-CA 3.46Å; N155-G159 WeakPolarHBondContact O-CA 3.35Å; N155-G159 PolarHBondContact O-N 3.27Å | ||
| 160 | A | 81.1 | Confident | 80.4 | Confident | 55 Ų | 55 | 55.6 Ų | 55.6 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | trans | -66 | 132.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | C154 N155 T158 | C154-A160 CarbonylContact C-O 3.55Å; C154-A160 WeakPolarHBondContact CA-O 3.48Å; N155-A160 HydrophobicContact CB-CB 4.48Å; N155-A160 PolarHBondContact N-O 2.98Å; T158-A160 PolarHBondContact O-N 2.84Å; T158-A160 VanDerWaalsContact O-N 3.15Å | ||
| 161 | C | 85.4 | Confident | 80.7 | Confident | 28 Ų | 28 | 55.2 Ų | 55.2 | 19% | 0.189 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 131 | -175.1 | -59.8 | 0 | 0 | 0 | 0 | 112.9 | C148 | C148-C161 WeakPolarHBondContact CA-SG 3.23Å; C148-C161 HydrophobicContact CB-CB 3.84Å; C148-C161 WeakPolarHBondContact CB-SG 3.5Å; C148-C161 VanDerWaalsContact SG-CA 3.51Å; C148-C161 WeakPolarHBondContact SG-CB 3.05Å; C148-C161 CovalentContact SG-SG 2.03Å; C148-C161 PolarHBondContact SG-SG 3.36Å |
| 162 | V | 81.6 | Confident | 81.2 | Confident | 92 Ų | 92 | 51.9 Ų | 51.9 | 56% | 0.558 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 106 | 173.4 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | A152 L153 | A152-V162 WeakPolarHBondContact CB-O 3.34Å; L153-V162 PolarHBondContact N-O 2.79Å; L153-V162 PolarHBondContact O-N 3.47Å |
| 163 | C | 83.3 | Confident | 81.5 | Confident | 18 Ų | 18 | 53.4 Ų | 53.4 | 12% | 0.122 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 136.7 | -170.7 | -54.9 | 0 | 0 | 0 | 0 | 113.8 | F167 C172 | C163-F167 HydrophobicContact CB-CB 4.47Å; C163-F167 VanDerWaalsContact CB-O 3.32Å; C163-F167 WeakPolarHBondContact CB-O 3.49Å; C163-C172 WeakPolarHBondContact CA-SG 3.45Å; C163-C172 HydrophobicContact CB-CB 3.68Å; C163-C172 WeakPolarHBondContact CB-SG 3.38Å; C163-C172 PolarHBondContact N-SG 2.85Å; C163-C172 VanDerWaalsContact N-SG 3.43Å; C163-C172 VanDerWaalsContact SG-CA 3.57Å; C163-C172 WeakPolarHBondContact SG-CB 3.4Å; C163-C172 CovalentContact SG-SG 2.03Å; C163-C172 PolarHBondContact SG-SG 3.21Å |
| 164 | A | 78.5 | Confident | 81.5 | Confident | 34 Ų | 34 | 52.3 Ų | 52.3 | 28% | 0.281 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 157.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | F167 | A164-F167 HydrophobicContact CB-CD2 4.27Å; A164-F167 PolarHBondContact O-N 3.22Å |
| 165 | A | 79.7 | Confident | 81.2 | Confident | 32 Ų | 32 | 57 Ų | 57 | 26% | 0.264 | 31% | 0.312 | S | S | . | . | B | Isolated β-bridge | trans | -59.9 | 140.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | F167 G182 K183 R200 | A165-F167 WeakPolarHBondContact O-CD2 3.44Å; A165-G182 WeakPolarHBondContact CA-O 3.42Å; A165-K183 HydrophobicContact CB-CG 4.37Å; A165-R200 HydrophobicContact CB-CB 4.37Å; A165-R200 WeakPolarHBondContact O-CG 3.35Å |
| 166 | G | 78.6 | Confident | 81.2 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | 0.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | L175 C176 G182 P199 | G166-L175 WeakPolarHBondContact O-CA 3.21Å; G166-C176 VanDerWaalsContact CA-SG 3.54Å; G166-C176 PolarHBondContact O-N 2.85Å; G166-G182 PolarHBondContact N-O 3.32Å; G166-P199 WeakPolarHBondContact CA-O 3.32Å; G166-P199 PolarHBondContact N-O 2.89Å |
| 167 | F | 83.7 | Confident | 81.3 | Confident | 15 Ų | 15 | 54.4 Ų | 54.4 | 7% | 0.066 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 151.6 | 178.7 | -57.7 | -85.4 | 0 | 0 | 0 | 113.5 | N150 C163 A164 A165 C172 E174 L175 G184 | N150-F167 HydrophobicContact CB-CD1 3.79Å; N150-F167 HydrophobicContact CB-CD2 4.07Å; N150-F167 HydrophobicContact CB-CE1 3.72Å; N150-F167 HydrophobicContact CB-CE2 4.01Å; N150-F167 HydrophobicContact CB-CG 3.96Å; N150-F167 HydrophobicContact CB-CZ 3.84Å; N150-F167 VanDerWaalsContact CG-CE1 3.47Å; N150-F167 WeakPolarHBondContact ND2-CD1 3.3Å; N150-F167 WeakPolarHBondContact ND2-CE1 3.05Å; C163-F167 HydrophobicContact CB-CB 4.47Å; C163-F167 VanDerWaalsContact CB-O 3.32Å; C163-F167 WeakPolarHBondContact CB-O 3.49Å; A164-F167 HydrophobicContact CB-CD2 4.27Å; A164-F167 PolarHBondContact O-N 3.22Å; A165-F167 WeakPolarHBondContact O-CD2 3.44Å; F167-C172 HydrophobicContact CB-CB 4.25Å; F167-E174 CarbonylContact C-O 3.57Å; F167-E174 WeakPolarHBondContact CA-O 3.47Å; F167-E174 WeakPolarHBondContact CB-O 3.35Å; F167-L175 HydrophobicContact CD1-CD2 4.07Å; F167-L175 HydrophobicContact CD1-CG 4.37Å; F167-L175 HydrophobicContact CE1-CD2 3.53Å; F167-L175 HydrophobicContact CE1-CG 4.05Å; F167-L175 HydrophobicContact CZ-CD2 4.02Å; F167-G184 WeakPolarHBondContact O-CA 3.47Å; F167-G184 PolarHBondContact O-N 3.08Å |
| 168 | R | 82.4 | Confident | 81.1 | Confident | 105 Ų | 105 | 56.5 Ų | 56.5 | 40% | 0.396 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | -178.6 | 176.7 | 66.4 | 177.2 | -146 | 159.9 | 9.8 | 110.3 | C172 E173 E174 | R168-C172 CarbonylContact O-C 3.59Å; R168-C172 VanDerWaalsContact O-C 3.3Å; R168-C172 VanDerWaalsContact O-CA 3.23Å; R168-C172 WeakPolarHBondContact O-CA 3.19Å; R168-E173 PolarHBondContact O-N 3.36Å; R168-E174 HydrophobicContact CG-CB 3.82Å; R168-E174 IonicContact CZ-OE2 3.13Å; R168-E174 PolarHBondContact N-O 3.49Å; R168-E174 IonicContact NE-OE2 3.07Å; R168-E174 PolarHBondContact NE-OE2 2.82Å; R168-E174 IonicContact NH2-OE2 2.72Å; R168-E174 PolarHBondContact NH2-OE2 3.4Å; R168-E174 PolarHBondContact O-N 3.15Å |
| 169 | G | 79.1 | Confident | 80.8 | Confident | 31 Ų | 31 | 54.5 Ų | 54.5 | 32% | 0.32 | 32% | 0.316 | S | S | . | . | S | Bend | trans | 95.9 | 165.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R171 C172 E173 | G169-R171 VanDerWaalsContact C-N 3.27Å; G169-R171 PolarHBondContact O-N 3.3Å; G169-C172 PolarHBondContact O-N 2.89Å; G169-C172 VanDerWaalsContact O-N 3.08Å; G169-E173 VanDerWaalsContact C-OE2 3.31Å; G169-E173 WeakPolarHBondContact CA-OE2 3.44Å |
| 170 | W | 77.5 | Confident | 81 | Confident | 179 Ų | 179 | 55.8 Ų | 55.8 | 68% | 0.678 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -16.3 | -170.2 | 51.2 | -78.3 | 0 | 0 | 0 | 113.5 | E173 | W170-E173 PolarHBondContact N-OE2 2.84Å; W170-E173 PolarHBondContact NE1-OE1 3.1Å |
| 171 | R | 83.4 | Confident | 81.2 | Confident | 68 Ų | 68 | 54.2 Ų | 54.2 | 26% | 0.257 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | 11.1 | 165.5 | -63.3 | 167.1 | -60.9 | -174.3 | 4 | 112.2 | Q147 Q149 G169 E173 | Q147-R171 HydrophobicContact CB-CG 4.37Å; Q147-R171 WeakPolarHBondContact O-CB 3.32Å; Q147-R171 WeakPolarHBondContact O-CD 3.03Å; Q147-R171 WeakPolarHBondContact O-CG 3.37Å; Q149-R171 HydrophobicContact CG-CB 4.41Å; Q149-R171 PolarHBondContact N-O 2.88Å; G169-R171 VanDerWaalsContact C-N 3.27Å; G169-R171 PolarHBondContact O-N 3.3Å; R171-E173 VanDerWaalsContact C-N 3.26Å; R171-E173 WeakPolarHBondContact CA-OE2 3.02Å; R171-E173 IonicContact CZ-OE1 2.78Å; R171-E173 PolarHBondContact N-OE2 2.78Å; R171-E173 IonicContact NE-OE1 2.69Å; R171-E173 PolarHBondContact NE-OE1 2.91Å; R171-E173 IonicContact NH2-OE1 3.09Å; R171-E173 PolarHBondContact NH2-OE1 3.38Å; R171-E173 PolarHBondContact O-N 2.98Å |
| 172 | C | 83 | Confident | 80.9 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | S | Bend | trans | 62 | 33.1 | -173.8 | -46.2 | 0 | 0 | 0 | 0 | 113.2 | N150 A152 C163 F167 R168 G169 | N150-C172 PolarHBondContact ND2-O 2.81Å; A152-C172 HydrophobicContact CB-CB 3.6Å; A152-C172 WeakPolarHBondContact CB-SG 3.35Å; C163-C172 WeakPolarHBondContact CA-SG 3.45Å; C163-C172 HydrophobicContact CB-CB 3.68Å; C163-C172 WeakPolarHBondContact CB-SG 3.38Å; C163-C172 PolarHBondContact N-SG 2.85Å; C163-C172 VanDerWaalsContact N-SG 3.43Å; C163-C172 VanDerWaalsContact SG-CA 3.57Å; C163-C172 WeakPolarHBondContact SG-CB 3.4Å; C163-C172 CovalentContact SG-SG 2.03Å; C163-C172 PolarHBondContact SG-SG 3.21Å; F167-C172 HydrophobicContact CB-CB 4.25Å; R168-C172 CarbonylContact O-C 3.59Å; R168-C172 VanDerWaalsContact O-C 3.3Å; R168-C172 VanDerWaalsContact O-CA 3.23Å; R168-C172 WeakPolarHBondContact O-CA 3.19Å; G169-C172 PolarHBondContact O-N 2.89Å; G169-C172 VanDerWaalsContact O-N 3.08Å |
| 173 | E | 84.1 | Confident | 80.7 | Confident | 45 Ų | 45 | 56.1 Ų | 56.1 | 21% | 0.21 | 30% | 0.304 | C | S | . | . | trans | -80.7 | -20.8 | -177.9 | 62.2 | -93.1 | -98.2 | 0 | 0 | 114.2 | R168 G169 W170 R171 | R168-E173 PolarHBondContact O-N 3.36Å; G169-E173 VanDerWaalsContact C-OE2 3.31Å; G169-E173 WeakPolarHBondContact CA-OE2 3.44Å; W170-E173 PolarHBondContact N-OE2 2.84Å; W170-E173 PolarHBondContact NE1-OE1 3.1Å; R171-E173 VanDerWaalsContact C-N 3.26Å; R171-E173 WeakPolarHBondContact CA-OE2 3.02Å; R171-E173 IonicContact CZ-OE1 2.78Å; R171-E173 PolarHBondContact N-OE2 2.78Å; R171-E173 IonicContact NE-OE1 2.69Å; R171-E173 PolarHBondContact NE-OE1 2.91Å; R171-E173 IonicContact NH2-OE1 3.09Å; R171-E173 PolarHBondContact NH2-OE1 3.38Å; R171-E173 PolarHBondContact O-N 2.98Å | ||
| 174 | E | 82.3 | Confident | 80.3 | Confident | 84 Ų | 84 | 56.7 Ų | 56.7 | 39% | 0.393 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 144 | -179.1 | -65.8 | 179.4 | -156.9 | 0 | 0 | 111.4 | F167 R168 | F167-E174 CarbonylContact C-O 3.57Å; F167-E174 WeakPolarHBondContact CA-O 3.47Å; F167-E174 WeakPolarHBondContact CB-O 3.35Å; R168-E174 HydrophobicContact CG-CB 3.82Å; R168-E174 IonicContact CZ-OE2 3.13Å; R168-E174 PolarHBondContact N-O 3.49Å; R168-E174 IonicContact NE-OE2 3.07Å; R168-E174 PolarHBondContact NE-OE2 2.82Å; R168-E174 IonicContact NH2-OE2 2.72Å; R168-E174 PolarHBondContact NH2-OE2 3.4Å; R168-E174 PolarHBondContact O-N 3.15Å |
| 175 | L | 78.8 | Confident | 80.4 | Confident | 112 Ų | 112 | 55.8 Ų | 55.8 | 59% | 0.586 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 161.2 | 164.7 | -73.6 | 155 | 0 | 0 | 0 | 110.8 | G166 F167 | G166-L175 WeakPolarHBondContact O-CA 3.21Å; F167-L175 HydrophobicContact CD1-CD2 4.07Å; F167-L175 HydrophobicContact CD1-CG 4.37Å; F167-L175 HydrophobicContact CE1-CD2 3.53Å; F167-L175 HydrophobicContact CE1-CG 4.05Å; F167-L175 HydrophobicContact CZ-CD2 4.02Å |
| 176 | C | 83 | Confident | 80.4 | Confident | 14 Ų | 14 | 62.2 Ų | 62.2 | 10% | 0.095 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 148.3 | 171.2 | -61 | 0 | 0 | 0 | 0 | 112.9 | G166 T180 C185 P199 | G166-C176 VanDerWaalsContact CA-SG 3.54Å; G166-C176 PolarHBondContact O-N 2.85Å; C176-T180 WeakPolarHBondContact CB-O 3.02Å; C176-C185 WeakPolarHBondContact CA-SG 3.43Å; C176-C185 HydrophobicContact CB-CB 3.67Å; C176-C185 WeakPolarHBondContact CB-SG 3.29Å; C176-C185 VanDerWaalsContact SG-CA 3.52Å; C176-C185 WeakPolarHBondContact SG-CB 3.41Å; C176-C185 CovalentContact SG-SG 2.02Å; C176-C185 PolarHBondContact SG-SG 2.98Å; C176-P199 HydrophobicContact CB-CB 4.12Å |
| 177 | A | 80 | Confident | 80.4 | Confident | 41 Ų | 41 | 66.6 Ų | 66.6 | 34% | 0.339 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 148.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | G179 T180 | A177-G179 PolarHBondContact O-N 3.04Å; A177-T180 PolarHBondContact N-OG1 2.8Å; A177-T180 PolarHBondContact O-N 3Å; A177-T180 PolarHBondContact O-OG1 2.03Å |
| 178 | P | 76.3 | Confident | 80.4 | Confident | 140 Ų | 140 | 69.8 Ų | 69.8 | 91% | 0.909 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | 129 | 176.7 | -27.3 | 35.3 | 0 | 0 | 0 | 111.8 | ||
| 179 | G | 75.8 | Confident | 80.4 | Confident | 37 Ų | 37 | 66.1 Ų | 66.1 | 38% | 0.381 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90 | 4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | A177 C189 | A177-G179 PolarHBondContact O-N 3.04Å; G179-C189 VanDerWaalsContact C-SG 3.52Å; G179-C189 PolarHBondContact O-N 3.41Å |
| 180 | T | 83.9 | Confident | 80.7 | Confident | 41 Ų | 41 | 69 Ų | 69 | 25% | 0.252 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 145.1 | 173.3 | 58.9 | 0 | 0 | 0 | 0 | 112.3 | C176 A177 L187 | C176-T180 WeakPolarHBondContact CB-O 3.02Å; A177-T180 PolarHBondContact N-OG1 2.8Å; A177-T180 PolarHBondContact O-N 3Å; A177-T180 PolarHBondContact O-OG1 2.03Å; T180-L187 CarbonylContact C-O 3.52Å; T180-L187 WeakPolarHBondContact CA-O 3.43Å |
| 181 | H | 85.2 | Confident | 81 | Confident | 23 Ų | 23 | 61.7 Ų | 61.7 | 11% | 0.106 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 177.9 | -178.3 | 76.5 | 107.8 | 0 | 0 | 0 | 113.4 | C185 L187 P199 T201 G202 | H181-C185 CarbonylContact O-C 3.5Å; H181-C185 WeakPolarHBondContact O-CA 3.21Å; H181-L187 PolarHBondContact CD2-O 3.49Å; H181-L187 VanDerWaalsContact CD2-O 3.27Å; H181-L187 PolarHBondContact N-O 2.99Å; H181-L187 VanDerWaalsContact NE2-CB 3.34Å; H181-L187 WeakPolarHBondContact NE2-CB 3.3Å; H181-L187 PolarHBondContact O-N 2.82Å; H181-P199 CarbonylContact C-O 3.5Å; H181-P199 WeakPolarHBondContact CA-O 3.28Å; H181-P199 WeakPolarHBondContact CB-O 3.35Å; H181-T201 PolarHBondContact CE1-O 2.88Å; H181-T201 PolarHBondContact ND1-O 3.39Å; H181-T201 VanDerWaalsContact ND1-O 3.1Å; H181-G202 WeakPolarHBondContact ND1-CA 3.42Å; H181-G202 PolarHBondContact ND1-N 3.48Å |
| 182 | G | 77.9 | Confident | 80.9 | Confident | 6 Ų | 6 | 65 Ų | 65 | 6% | 0.062 | 36% | 0.358 | C | S | . | . | S | Bend | trans | 83.7 | -167.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | A165 G166 G184 C185 P199 | A165-G182 WeakPolarHBondContact CA-O 3.42Å; G166-G182 PolarHBondContact N-O 3.32Å; G182-G184 PolarHBondContact O-N 2.04Å; G182-C185 PolarHBondContact O-N 3.46Å; G182-P199 PolarHBondContact N-O 2.78Å |
| 183 | K | 77.8 | Confident | 80.5 | Confident | 153 Ų | 153 | 70 Ų | 70 | 67% | 0.665 | 38% | 0.381 | S | S | * | . | B | Isolated β-bridge | trans | -67.7 | 123.1 | -179.6 | -69 | -175 | 179.7 | 179.8 | 0 | 110.3 | A165 C185 | A165-K183 HydrophobicContact CB-CG 4.37Å; K183-C185 PolarHBondContact O-N 3.45Å; K183-C185 VanDerWaalsContact O-N 3.14Å |
| 184 | G | 75.9 | Confident | 79.8 | Confident | 31 Ų | 31 | 71.7 Ų | 71.7 | 32% | 0.32 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 14.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | F167 G182 Q186 | F167-G184 WeakPolarHBondContact O-CA 3.47Å; F167-G184 PolarHBondContact O-N 3.08Å; G182-G184 PolarHBondContact O-N 2.04Å; G184-Q186 VanDerWaalsContact C-N 3.3Å; G184-Q186 PolarHBondContact O-N 3.08Å |
| 185 | C | 79.6 | Confident | 79.5 | Confident | 15 Ų | 15 | 68.5 Ų | 68.5 | 10% | 0.101 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 33.3 | 177.4 | -43.8 | 0 | 0 | 0 | 0 | 114.5 | C176 H181 G182 K183 | C176-C185 WeakPolarHBondContact CA-SG 3.43Å; C176-C185 HydrophobicContact CB-CB 3.67Å; C176-C185 WeakPolarHBondContact CB-SG 3.29Å; C176-C185 VanDerWaalsContact SG-CA 3.52Å; C176-C185 WeakPolarHBondContact SG-CB 3.41Å; C176-C185 CovalentContact SG-SG 2.02Å; C176-C185 PolarHBondContact SG-SG 2.98Å; H181-C185 CarbonylContact O-C 3.5Å; H181-C185 WeakPolarHBondContact O-CA 3.21Å; G182-C185 PolarHBondContact O-N 3.46Å; K183-C185 PolarHBondContact O-N 3.45Å; K183-C185 VanDerWaalsContact O-N 3.14Å |
| 186 | Q | 79.7 | Confident | 79.6 | Confident | 167 Ų | 167 | 66.6 Ų | 66.6 | 78% | 0.78 | 39% | 0.394 | S | S | * | . | trans | -83.9 | -12.7 | -174.9 | -63 | -177.4 | -4.6 | 0 | 0 | 114 | G184 | G184-Q186 VanDerWaalsContact C-N 3.3Å; G184-Q186 PolarHBondContact O-N 3.08Å | ||
| 187 | L | 78.9 | Confident | 79.6 | Confident | 91 Ų | 91 | 66.8 Ų | 66.8 | 48% | 0.476 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 129.2 | -177.7 | -58.4 | 176.9 | 0 | 0 | 0 | 110.7 | T180 H181 | T180-L187 CarbonylContact C-O 3.52Å; T180-L187 WeakPolarHBondContact CA-O 3.43Å; H181-L187 PolarHBondContact CD2-O 3.49Å; H181-L187 VanDerWaalsContact CD2-O 3.27Å; H181-L187 PolarHBondContact N-O 2.99Å; H181-L187 VanDerWaalsContact NE2-CB 3.34Å; H181-L187 WeakPolarHBondContact NE2-CB 3.3Å; H181-L187 PolarHBondContact O-N 2.82Å |
| 188 | P | 82.8 | Confident | 79.7 | Confident | 83 Ų | 83 | 67.4 Ų | 67.4 | 54% | 0.539 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 132 | 175.2 | 31.6 | -32.9 | 0 | 0 | 0 | 111 | Q190 | P188-Q190 PolarHBondContact O-NE2 3.44Å |
| 189 | C | 84.1 | Confident | 79.7 | Confident | 27 Ų | 27 | 62.7 Ų | 62.7 | 18% | 0.182 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 135.9 | 174.3 | -60.1 | 0 | 0 | 0 | 0 | 110.7 | G179 C197 | G179-C189 VanDerWaalsContact C-SG 3.52Å; G179-C189 PolarHBondContact O-N 3.41Å; C189-C197 HydrophobicContact CB-CB 3.55Å; C189-C197 WeakPolarHBondContact CB-SG 3.34Å; C189-C197 WeakPolarHBondContact SG-CB 3.3Å; C189-C197 CovalentContact SG-SG 2.03Å; C189-C197 PolarHBondContact SG-SG 2.96Å |
| 190 | Q | 83.9 | Confident | 80 | Confident | 93 Ų | 93 | 67.7 Ų | 67.7 | 44% | 0.435 | 37% | 0.37 | S | S | . | . | trans | -103.6 | 5.9 | -171.7 | -72.1 | 140.5 | 64.7 | 0 | 0 | 113.7 | P188 R192 Y214 | P188-Q190 PolarHBondContact O-NE2 3.44Å; Q190-R192 PolarHBondContact O-NH1 3.38Å; Q190-Y214 HydrophobicContact CB-CD1 3.88Å; Q190-Y214 HydrophobicContact CB-CE1 4.03Å | ||
| 191 | C | 84 | Confident | 79.8 | Confident | 24 Ų | 24 | 69.7 Ų | 69.7 | 16% | 0.162 | 38% | 0.382 | C | S | . | . | trans | -55.7 | 142.6 | -178.6 | -42.5 | 0 | 0 | 0 | 0 | 113.1 | A195 C204 Y214 | C191-A195 HydrophobicContact CB-CB 3.96Å; C191-C204 WeakPolarHBondContact CA-SG 3.23Å; C191-C204 HydrophobicContact CB-CB 3.76Å; C191-C204 WeakPolarHBondContact CB-SG 3.32Å; C191-C204 VanDerWaalsContact SG-CA 3.54Å; C191-C204 WeakPolarHBondContact SG-CB 3.03Å; C191-C204 CovalentContact SG-SG 2.04Å; C191-C204 PolarHBondContact SG-SG 3.35Å; C191-Y214 CarbonylContact C-O 3.52Å; C191-Y214 WeakPolarHBondContact CA-O 3.5Å | ||
| 192 | R | 81.7 | Confident | 79.4 | Confident | 139 Ų | 139 | 69.3 Ų | 69.3 | 53% | 0.525 | 38% | 0.384 | S | S | . | . | trans | -101.3 | 175.7 | -179.7 | -58.7 | -56 | -165.8 | -117.1 | 5.2 | 111.3 | Q190 G194 A195 Y214 E216 | Q190-R192 PolarHBondContact O-NH1 3.38Å; R192-G194 PolarHBondContact O-N 3.12Å; R192-A195 VanDerWaalsContact O-CB 3.28Å; R192-A195 WeakPolarHBondContact O-CB 3.35Å; R192-A195 PolarHBondContact O-N 2.94Å; R192-Y214 PolarHBondContact N-O 2.77Å; R192-E216 HydrophobicContact CG-CB 4.23Å | ||
| 193 | H | 74.3 | Confident | 79.6 | Confident | 105 Ų | 105 | 75.6 Ų | 75.6 | 49% | 0.486 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 26.9 | 171.2 | -53.6 | 116 | 0 | 0 | 0 | 116.3 | A195 Y210 C215 | H193-A195 VanDerWaalsContact C-N 3.3Å; H193-A195 PolarHBondContact O-N 3.48Å; H193-Y210 HydrophobicContact CB-CD1 4.17Å; H193-Y210 HydrophobicContact CB-CE1 4.09Å; H193-Y210 HydrophobicContact CB-CE2 4.5Å; H193-Y210 HydrophobicContact CB-CG 4.4Å; H193-Y210 AromaticContact CD2-CE1 3.98Å; H193-Y210 AromaticContact CE1-CE1 4Å; H193-Y210 AromaticContact CG-CD1 3.85Å; H193-Y210 AromaticContact CG-CE1 3.63Å; H193-Y210 AromaticContact ND1-CD1 3.54Å; H193-Y210 AromaticContact ND1-CE1 3.66Å; H193-C215 PolarHBondContact ND1-O 3.03Å |
| 194 | G | 70.1 | Confident | 79.9 | Confident | 80 Ų | 80 | 69.1 Ų | 69.1 | 83% | 0.825 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | 8.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115 | R192 | R192-G194 PolarHBondContact O-N 3.12Š|
| 195 | A | 75.9 | Confident | 80.2 | Confident | 16 Ų | 16 | 72.1 Ų | 72.1 | 13% | 0.132 | 39% | 0.394 | C | S | . | . | trans | -61.1 | 142.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | C191 R192 H193 L205 C215 | C191-A195 HydrophobicContact CB-CB 3.96Å; R192-A195 VanDerWaalsContact O-CB 3.28Å; R192-A195 WeakPolarHBondContact O-CB 3.35Å; R192-A195 PolarHBondContact O-N 2.94Å; H193-A195 VanDerWaalsContact C-N 3.3Å; H193-A195 PolarHBondContact O-N 3.48Å; A195-L205 WeakPolarHBondContact CB-O 3.41Å; A195-C215 HydrophobicContact CB-CB 3.77Å; A195-C215 VanDerWaalsContact CB-SG 3.57Å | ||
| 196 | S | 80.4 | Confident | 80.3 | Confident | 72 Ų | 72 | 72.4 Ų | 72.4 | 50% | 0.503 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 165.9 | 174 | 59.4 | 0 | 0 | 0 | 0 | 110.9 | C204 L205 | S196-C204 CarbonylContact O-C 3.59Å; S196-C204 WeakPolarHBondContact O-CA 3.01Å; S196-L205 PolarHBondContact N-O 3.37Å; S196-L205 PolarHBondContact O-N 2.94Å |
| 197 | C | 84.1 | Confident | 80.3 | Confident | 18 Ų | 18 | 66 Ų | 66 | 12% | 0.122 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 149.8 | 174.9 | 52.3 | 0 | 0 | 0 | 0 | 111.3 | C189 P199 E203 | C189-C197 HydrophobicContact CB-CB 3.55Å; C189-C197 WeakPolarHBondContact CB-SG 3.34Å; C189-C197 WeakPolarHBondContact SG-CB 3.3Å; C189-C197 CovalentContact SG-SG 2.03Å; C189-C197 PolarHBondContact SG-SG 2.96Å; C197-P199 WeakPolarHBondContact O-CD 3.4Å; C197-E203 CarbonylContact C-O 3.57Å; C197-E203 VanDerWaalsContact CA-O 3.27Å; C197-E203 WeakPolarHBondContact CA-O 3.5Å |
| 198 | D | 82.1 | Confident | 80.3 | Confident | 54 Ų | 54 | 64.9 Ų | 64.9 | 29% | 0.289 | 37% | 0.369 | S | S | . | . | trans | -64.3 | 126.3 | 164.4 | 178.8 | -89.8 | 0 | 0 | 0 | 109.9 | R200 T201 G202 E203 | D198-R200 PolarHBondContact O-N 2.87Å; D198-R200 VanDerWaalsContact OD1-CA 3.26Å; D198-R200 WeakPolarHBondContact OD1-CA 3.38Å; D198-R200 VanDerWaalsContact OD1-CB 3.23Å; D198-R200 WeakPolarHBondContact OD1-CB 3.38Å; D198-R200 PolarHBondContact OD1-N 3.15Å; D198-T201 WeakPolarHBondContact CB-OG1 3.16Å; D198-T201 PolarHBondContact OD1-N 3.38Å; D198-T201 PolarHBondContact OD1-OG1 3.28Å; D198-G202 WeakPolarHBondContact O-CA 3.47Å; D198-G202 PolarHBondContact O-N 3.35Å; D198-E203 PolarHBondContact N-O 2.95Å | ||
| 199 | P | 75.6 | Confident | 80.1 | Confident | 41 Ų | 41 | 60.9 Ų | 60.9 | 27% | 0.266 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -28.7 | -179.4 | -29.5 | 37.8 | 0 | 0 | 0 | 114.8 | G166 C176 H181 G182 C197 | G166-P199 WeakPolarHBondContact CA-O 3.32Å; G166-P199 PolarHBondContact N-O 2.89Å; C176-P199 HydrophobicContact CB-CB 4.12Å; H181-P199 CarbonylContact C-O 3.5Å; H181-P199 WeakPolarHBondContact CA-O 3.28Å; H181-P199 WeakPolarHBondContact CB-O 3.35Å; G182-P199 PolarHBondContact N-O 2.78Å; C197-P199 WeakPolarHBondContact O-CD 3.4Å |
| 200 | R | 81.1 | Confident | 80.1 | Confident | 143 Ų | 143 | 61.9 Ų | 61.9 | 54% | 0.54 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -53.5 | -176.2 | -52.4 | -170.2 | 161.9 | -165.5 | -2.3 | 111.5 | A165 D198 | A165-R200 HydrophobicContact CB-CB 4.37Å; A165-R200 WeakPolarHBondContact O-CG 3.35Å; D198-R200 PolarHBondContact O-N 2.87Å; D198-R200 VanDerWaalsContact OD1-CA 3.26Å; D198-R200 WeakPolarHBondContact OD1-CA 3.38Å; D198-R200 VanDerWaalsContact OD1-CB 3.23Å; D198-R200 WeakPolarHBondContact OD1-CB 3.38Å; D198-R200 PolarHBondContact OD1-N 3.15Å |
| 201 | T | 80.7 | Confident | 80 | Confident | 83 Ų | 83 | 59.6 Ų | 59.6 | 51% | 0.509 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -36.8 | -173.5 | 63.8 | 0 | 0 | 0 | 0 | 112.5 | H181 D198 E203 | H181-T201 PolarHBondContact CE1-O 2.88Å; H181-T201 PolarHBondContact ND1-O 3.39Å; H181-T201 VanDerWaalsContact ND1-O 3.1Å; D198-T201 WeakPolarHBondContact CB-OG1 3.16Å; D198-T201 PolarHBondContact OD1-N 3.38Å; D198-T201 PolarHBondContact OD1-OG1 3.28Å; T201-E203 WeakPolarHBondContact OG1-CB 3.38Å; T201-E203 PolarHBondContact OG1-N 2.92Å; T201-E203 VanDerWaalsContact OG1-N 3.15Å |
| 202 | G | 77.5 | Confident | 79.7 | Confident | 14 Ų | 14 | 59.6 Ų | 59.6 | 14% | 0.144 | 34% | 0.34 | C | S | . | . | trans | 89.1 | 2 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | H181 D198 | H181-G202 WeakPolarHBondContact ND1-CA 3.42Å; H181-G202 PolarHBondContact ND1-N 3.48Å; D198-G202 WeakPolarHBondContact O-CA 3.47Å; D198-G202 PolarHBondContact O-N 3.35Å | ||
| 203 | E | 81.2 | Confident | 79.6 | Confident | 138 Ų | 138 | 58.3 Ų | 58.3 | 65% | 0.645 | 35% | 0.348 | S | S | * | . | trans | -60.5 | 135.5 | 177.3 | -175.3 | 175.2 | 178.3 | 0 | 0 | 111.2 | C197 D198 T201 | C197-E203 CarbonylContact C-O 3.57Å; C197-E203 VanDerWaalsContact CA-O 3.27Å; C197-E203 WeakPolarHBondContact CA-O 3.5Å; D198-E203 PolarHBondContact N-O 2.95Å; T201-E203 WeakPolarHBondContact OG1-CB 3.38Å; T201-E203 PolarHBondContact OG1-N 2.92Å; T201-E203 VanDerWaalsContact OG1-N 3.15Å | ||
| 204 | C | 84.7 | Confident | 80 | Confident | 17 Ų | 17 | 58.3 Ų | 58.3 | 12% | 0.115 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 120.9 | -171.5 | -64.5 | 0 | 0 | 0 | 0 | 112.4 | C191 S196 C206 C215 | C191-C204 WeakPolarHBondContact CA-SG 3.23Å; C191-C204 HydrophobicContact CB-CB 3.76Å; C191-C204 WeakPolarHBondContact CB-SG 3.32Å; C191-C204 VanDerWaalsContact SG-CA 3.54Å; C191-C204 WeakPolarHBondContact SG-CB 3.03Å; C191-C204 CovalentContact SG-SG 2.04Å; C191-C204 PolarHBondContact SG-SG 3.35Å; S196-C204 CarbonylContact O-C 3.59Å; S196-C204 WeakPolarHBondContact O-CA 3.01Å; C204-C206 PolarHBondContact O-N 3.34Å; C204-C215 WeakPolarHBondContact CB-SG 3.39Å |
| 205 | L | 80.9 | Confident | 80.6 | Confident | 95 Ų | 95 | 54.5 Ų | 54.5 | 50% | 0.497 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 98.5 | 173.2 | -66.2 | 173.1 | 0 | 0 | 0 | 109.1 | A195 S196 | A195-L205 WeakPolarHBondContact CB-O 3.41Å; S196-L205 PolarHBondContact N-O 3.37Å; S196-L205 PolarHBondContact O-N 2.94Å |
| 206 | C | 82.9 | Confident | 81 | Confident | 21 Ų | 21 | 57.2 Ų | 57.2 | 14% | 0.142 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 141.4 | -171.1 | -56.5 | 0 | 0 | 0 | 0 | 114 | C204 Y210 C215 | C204-C206 PolarHBondContact O-N 3.34Å; C206-Y210 WeakPolarHBondContact CB-O 3.34Å; C206-C215 WeakPolarHBondContact CA-SG 3.37Å; C206-C215 HydrophobicContact CB-CB 3.74Å; C206-C215 WeakPolarHBondContact CB-SG 3.36Å; C206-C215 PolarHBondContact N-SG 3.37Å; C206-C215 VanDerWaalsContact SG-CA 3.5Å; C206-C215 WeakPolarHBondContact SG-CB 3.27Å; C206-C215 CovalentContact SG-SG 2.04Å; C206-C215 PolarHBondContact SG-SG 2.96Å |
| 207 | A | 78.5 | Confident | 81 | Confident | 32 Ų | 32 | 59.4 Ų | 59.4 | 26% | 0.264 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 151 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | G209 Y210 | A207-G209 PolarHBondContact O-N 2.93Å; A207-Y210 HydrophobicContact CB-CD2 4.23Å; A207-Y210 PolarHBondContact O-N 3Å; A207-Y210 VanDerWaalsContact O-N 3.14Å |
| 208 | P | 80.1 | Confident | 80.9 | Confident | 67 Ų | 67 | 63.2 Ų | 63.2 | 44% | 0.435 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 132.9 | 178.8 | -27.1 | 35.6 | 0 | 0 | 0 | 112.8 | A226 I243 | P208-A226 HydrophobicContact CG-CB 4.44Å; P208-I243 HydrophobicContact CB-CG2 4.37Å |
| 209 | G | 78.8 | Confident | 80.9 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | 2.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | A207 C219 G225 H242 | A207-G209 PolarHBondContact O-N 2.93Å; G209-C219 VanDerWaalsContact CA-SG 3.52Å; G209-C219 PolarHBondContact O-N 3.27Å; G209-G225 PolarHBondContact N-O 3.32Å; G209-H242 WeakPolarHBondContact CA-O 3.23Å; G209-H242 PolarHBondContact O-ND1 3.33Å |
| 210 | Y | 83.6 | Confident | 81.2 | Confident | 48 Ų | 48 | 62.6 Ų | 62.6 | 19% | 0.188 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 152.1 | 178.4 | -61.4 | -90.3 | 0 | 0 | 0 | 112.3 | H193 C206 A207 E217 L218 H242 I243 | H193-Y210 HydrophobicContact CB-CD1 4.17Å; H193-Y210 HydrophobicContact CB-CE1 4.09Å; H193-Y210 HydrophobicContact CB-CE2 4.5Å; H193-Y210 HydrophobicContact CB-CG 4.4Å; H193-Y210 AromaticContact CD2-CE1 3.98Å; H193-Y210 AromaticContact CE1-CE1 4Å; H193-Y210 AromaticContact CG-CD1 3.85Å; H193-Y210 AromaticContact CG-CE1 3.63Å; H193-Y210 AromaticContact ND1-CD1 3.54Å; H193-Y210 AromaticContact ND1-CE1 3.66Å; C206-Y210 WeakPolarHBondContact CB-O 3.34Å; A207-Y210 HydrophobicContact CB-CD2 4.23Å; A207-Y210 PolarHBondContact O-N 3Å; A207-Y210 VanDerWaalsContact O-N 3.14Å; Y210-E217 CarbonylContact C-O 3.5Å; Y210-E217 VanDerWaalsContact CA-O 3.23Å; Y210-E217 WeakPolarHBondContact CA-O 3.47Å; Y210-E217 WeakPolarHBondContact CB-O 3.04Å; Y210-L218 HydrophobicContact CE1-CG 4.44Å; Y210-H242 AromaticContact CZ-CE1 3.89Å; Y210-I243 HydrophobicContact CE2-CD1 4.38Å |
| 211 | T | 82.2 | Confident | 80.8 | Confident | 44 Ų | 44 | 62.5 Ų | 62.5 | 27% | 0.27 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | -173.1 | 179.4 | -166.6 | 0 | 0 | 0 | 0 | 110.5 | C215 E216 E217 | T211-C215 CarbonylContact O-C 3.3Å; T211-C215 VanDerWaalsContact O-CA 3.26Å; T211-C215 WeakPolarHBondContact O-CA 3.42Å; T211-E216 PolarHBondContact O-N 3Å; T211-E217 HydrophobicContact CG2-CB 3.93Å; T211-E217 PolarHBondContact N-O 3.43Å; T211-E217 WeakPolarHBondContact O-CB 2.98Å; T211-E217 PolarHBondContact O-N 3.27Å |
| 212 | G | 77 | Confident | 80.5 | Confident | 24 Ų | 24 | 60.4 Ų | 60.4 | 25% | 0.247 | 35% | 0.348 | C | S | . | . | S | Bend | trans | 91.1 | 160.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y214 C215 E216 | G212-Y214 PolarHBondContact O-N 2.84Å; G212-C215 PolarHBondContact O-N 2.85Å; G212-E216 WeakPolarHBondContact CA-OE2 3.35Å |
| 213 | V | 80.2 | Confident | 80.8 | Confident | 113 Ų | 113 | 60.5 Ų | 60.5 | 69% | 0.685 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -21.2 | -172.7 | -78.6 | 0 | 0 | 0 | 0 | 114.1 | E216 | V213-E216 PolarHBondContact N-OE2 2.89Š|
| 214 | Y | 83.3 | Confident | 81 | Confident | 105 Ų | 105 | 55 Ų | 55 | 41% | 0.412 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | 15.1 | 173.2 | -55.7 | -67.7 | 0 | 0 | 0 | 112.4 | Q190 C191 R192 G212 E216 | Q190-Y214 HydrophobicContact CB-CD1 3.88Å; Q190-Y214 HydrophobicContact CB-CE1 4.03Å; C191-Y214 CarbonylContact C-O 3.52Å; C191-Y214 WeakPolarHBondContact CA-O 3.5Å; R192-Y214 PolarHBondContact N-O 2.77Å; G212-Y214 PolarHBondContact O-N 2.84Å; Y214-E216 VanDerWaalsContact C-OE2 3.31Å; Y214-E216 WeakPolarHBondContact CA-OE2 3.39Å; Y214-E216 WeakPolarHBondContact CD2-OE1 3.44Å; Y214-E216 PolarHBondContact N-OE2 3.39Å; Y214-E216 PolarHBondContact O-N 3.18Å |
| 215 | C | 82.3 | Confident | 80.7 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | S | Bend | trans | 56.9 | 35.2 | -174 | -48.8 | 0 | 0 | 0 | 0 | 113.1 | H193 A195 C204 C206 T211 G212 | H193-C215 PolarHBondContact ND1-O 3.03Å; A195-C215 HydrophobicContact CB-CB 3.77Å; A195-C215 VanDerWaalsContact CB-SG 3.57Å; C204-C215 WeakPolarHBondContact CB-SG 3.39Å; C206-C215 WeakPolarHBondContact CA-SG 3.37Å; C206-C215 HydrophobicContact CB-CB 3.74Å; C206-C215 WeakPolarHBondContact CB-SG 3.36Å; C206-C215 PolarHBondContact N-SG 3.37Å; C206-C215 VanDerWaalsContact SG-CA 3.5Å; C206-C215 WeakPolarHBondContact SG-CB 3.27Å; C206-C215 CovalentContact SG-SG 2.04Å; C206-C215 PolarHBondContact SG-SG 2.96Å; T211-C215 CarbonylContact O-C 3.3Å; T211-C215 VanDerWaalsContact O-CA 3.26Å; T211-C215 WeakPolarHBondContact O-CA 3.42Å; G212-C215 PolarHBondContact O-N 2.85Å |
| 216 | E | 83.4 | Confident | 80.5 | Confident | 73 Ų | 73 | 52.3 Ų | 52.3 | 34% | 0.341 | 31% | 0.313 | S | S | . | . | trans | -86.3 | -22.6 | -178.1 | 68.2 | -86.3 | -116.1 | 0 | 0 | 113.5 | R192 T211 G212 V213 Y214 | R192-E216 HydrophobicContact CG-CB 4.23Å; T211-E216 PolarHBondContact O-N 3Å; G212-E216 WeakPolarHBondContact CA-OE2 3.35Å; V213-E216 PolarHBondContact N-OE2 2.89Å; Y214-E216 VanDerWaalsContact C-OE2 3.31Å; Y214-E216 WeakPolarHBondContact CA-OE2 3.39Å; Y214-E216 WeakPolarHBondContact CD2-OE1 3.44Å; Y214-E216 PolarHBondContact N-OE2 3.39Å; Y214-E216 PolarHBondContact O-N 3.18Å | ||
| 217 | E | 81.2 | Confident | 80.1 | Confident | 118 Ų | 118 | 56.6 Ų | 56.6 | 55% | 0.551 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 156.8 | -177.9 | -51.8 | -169.4 | 147.2 | 0 | 0 | 111.8 | Y210 T211 | Y210-E217 CarbonylContact C-O 3.5Å; Y210-E217 VanDerWaalsContact CA-O 3.23Å; Y210-E217 WeakPolarHBondContact CA-O 3.47Å; Y210-E217 WeakPolarHBondContact CB-O 3.04Å; T211-E217 HydrophobicContact CG2-CB 3.93Å; T211-E217 PolarHBondContact N-O 3.43Å; T211-E217 WeakPolarHBondContact O-CB 2.98Å; T211-E217 PolarHBondContact O-N 3.27Å |
| 218 | L | 80.7 | Confident | 80.2 | Confident | 97 Ų | 97 | 55.9 Ų | 55.9 | 51% | 0.508 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 156.9 | 168.5 | -71 | 76.7 | 0 | 0 | 0 | 109.5 | Y210 | Y210-L218 HydrophobicContact CE1-CG 4.44Å |
| 219 | C | 83.3 | Confident | 80.2 | Confident | 12 Ų | 12 | 60.1 Ų | 60.1 | 8% | 0.081 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -54.1 | 135.8 | 174.7 | -74 | 0 | 0 | 0 | 0 | 112.5 | G209 S223 C228 H242 | G209-C219 VanDerWaalsContact CA-SG 3.52Å; G209-C219 PolarHBondContact O-N 3.27Å; C219-S223 WeakPolarHBondContact CB-O 3.49Å; C219-C228 WeakPolarHBondContact CA-SG 3.47Å; C219-C228 HydrophobicContact CB-CB 3.74Å; C219-C228 WeakPolarHBondContact CB-SG 3.5Å; C219-C228 VanDerWaalsContact SG-CA 3.52Å; C219-C228 WeakPolarHBondContact SG-CB 3.5Å; C219-C228 CovalentContact SG-SG 2.03Å; C219-C228 PolarHBondContact SG-SG 3.26Å; C219-H242 HydrophobicContact CB-CB 4.42Å |
| 220 | P | 81.1 | Confident | 80.3 | Confident | 71 Ų | 71 | 64.8 Ų | 64.8 | 46% | 0.461 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 153.4 | -175.8 | 24.5 | -33.1 | 0 | 0 | 0 | 112.2 | G222 S223 | P220-G222 PolarHBondContact O-N 3.43Å; P220-S223 VanDerWaalsContact CD-OG 3.28Å; P220-S223 WeakPolarHBondContact CD-OG 3.05Å; P220-S223 WeakPolarHBondContact CG-OG 3.44Å; P220-S223 PolarHBondContact O-N 2.03Å; P220-S223 PolarHBondContact O-OG 3.45Å |
| 221 | P | 73.9 | Confident | 80.2 | Confident | 140 Ų | 140 | 72.9 Ų | 72.9 | 91% | 0.909 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 127.1 | -174.7 | -28.4 | 35.5 | 0 | 0 | 0 | 113.3 | ||
| 222 | G | 74.8 | Confident | 80.3 | Confident | 39 Ų | 39 | 72 Ų | 72 | 40% | 0.402 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.6 | 5.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115 | P220 C232 | P220-G222 PolarHBondContact O-N 3.43Å; G222-C232 PolarHBondContact O-N 3.1Å |
| 223 | S | 83.9 | Confident | 80.6 | Confident | 17 Ų | 17 | 74 Ų | 74 | 12% | 0.119 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 154 | 173.8 | 68.8 | 0 | 0 | 0 | 0 | 113.4 | C219 P220 C228 L230 C232 | C219-S223 WeakPolarHBondContact CB-O 3.49Å; P220-S223 VanDerWaalsContact CD-OG 3.28Å; P220-S223 WeakPolarHBondContact CD-OG 3.05Å; P220-S223 WeakPolarHBondContact CG-OG 3.44Å; P220-S223 PolarHBondContact O-N 2.03Å; P220-S223 PolarHBondContact O-OG 3.45Å; S223-C228 WeakPolarHBondContact CB-O 3.46Å; S223-L230 CarbonylContact C-O 3.55Å; S223-L230 VanDerWaalsContact CA-O 3.29Å; S223-L230 WeakPolarHBondContact CA-O 3.41Å; S223-C232 PolarHBondContact N-SG 3.08Å; S223-C232 VanDerWaalsContact N-SG 3.36Å |
| 224 | H | 84.9 | Confident | 80.8 | Confident | 23 Ų | 23 | 69.9 Ų | 69.9 | 11% | 0.106 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 173.9 | 179.9 | 70.2 | 90.6 | 0 | 0 | 0 | 113.1 | L230 H242 | H224-L230 PolarHBondContact CD2-O 2.77Å; H224-L230 PolarHBondContact N-O 3.33Å; H224-L230 WeakPolarHBondContact O-CB 3.5Å; H224-L230 PolarHBondContact O-N 3Å; H224-H242 VanDerWaalsContact CA-O 3.23Å; H224-H242 WeakPolarHBondContact CA-O 3.5Å; H224-H242 VanDerWaalsContact CB-O 3.22Å; H224-H242 WeakPolarHBondContact CB-O 3.4Å |
| 225 | G | 78.6 | Confident | 80.7 | Confident | 6 Ų | 6 | 69.8 Ų | 69.8 | 6% | 0.062 | 38% | 0.376 | C | S | . | . | S | Bend | trans | 81.1 | -162.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | G209 H227 C228 H242 | G209-G225 PolarHBondContact N-O 3.32Å; G225-H227 PolarHBondContact O-N 2.97Å; G225-C228 PolarHBondContact O-N 2.86Å; G225-H242 PolarHBondContact N-O 2.82Å; G225-H242 VanDerWaalsContact N-O 3.12Å |
| 226 | A | 76.8 | Confident | 80.4 | Confident | 48 Ų | 48 | 73.5 Ų | 73.5 | 40% | 0.397 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -65.9 | 132.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | P208 C228 E229 | P208-A226 HydrophobicContact CG-CB 4.44Å; A226-C228 PolarHBondContact O-N 2.94Å; A226-E229 PolarHBondContact O-N 3.25Å |
| 227 | H | 74.2 | Confident | 80 | Confident | 111 Ų | 111 | 73.1 Ų | 73.1 | 51% | 0.514 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | 51.7 | 15.6 | -175.8 | -43 | 108.8 | 0 | 0 | 0 | 115.1 | G225 E229 | G225-H227 PolarHBondContact O-N 2.97Å; H227-E229 HydrophobicContact CB-CG 4.16Å; H227-E229 PolarHBondContact O-N 2.83Å |
| 228 | C | 80.3 | Confident | 79.9 | Confident | 18 Ų | 18 | 68.2 Ų | 68.2 | 12% | 0.122 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | 57.2 | 26.2 | -177.4 | -44.2 | 0 | 0 | 0 | 0 | 114.7 | C219 S223 G225 A226 L230 | C219-C228 WeakPolarHBondContact CA-SG 3.47Å; C219-C228 HydrophobicContact CB-CB 3.74Å; C219-C228 WeakPolarHBondContact CB-SG 3.5Å; C219-C228 VanDerWaalsContact SG-CA 3.52Å; C219-C228 WeakPolarHBondContact SG-CB 3.5Å; C219-C228 CovalentContact SG-SG 2.03Å; C219-C228 PolarHBondContact SG-SG 3.26Å; S223-C228 WeakPolarHBondContact CB-O 3.46Å; G225-C228 PolarHBondContact O-N 2.86Å; A226-C228 PolarHBondContact O-N 2.94Å; C228-L230 VanDerWaalsContact C-N 3.34Å; C228-L230 PolarHBondContact O-N 2.81Å |
| 229 | E | 79.9 | Confident | 80 | Confident | 156 Ų | 156 | 70.1 Ų | 70.1 | 73% | 0.729 | 40% | 0.401 | S | S | * | . | trans | -75 | -22.2 | -177.7 | -68.8 | 179 | 170.1 | 0 | 0 | 113.5 | A226 H227 | A226-E229 PolarHBondContact O-N 3.25Å; H227-E229 HydrophobicContact CB-CG 4.16Å; H227-E229 PolarHBondContact O-N 2.83Å | ||
| 230 | L | 80.8 | Confident | 80 | Confident | 98 Ų | 98 | 71 Ų | 71 | 51% | 0.513 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 123.8 | -177.9 | -54.5 | 178 | 0 | 0 | 0 | 110.2 | S223 H224 C228 | S223-L230 CarbonylContact C-O 3.55Å; S223-L230 VanDerWaalsContact CA-O 3.29Å; S223-L230 WeakPolarHBondContact CA-O 3.41Å; H224-L230 PolarHBondContact CD2-O 2.77Å; H224-L230 PolarHBondContact N-O 3.33Å; H224-L230 WeakPolarHBondContact O-CB 3.5Å; H224-L230 PolarHBondContact O-N 3Å; C228-L230 VanDerWaalsContact C-N 3.34Å; C228-L230 PolarHBondContact O-N 2.81Å |
| 231 | R | 82.2 | Confident | 80 | Confident | 218 Ų | 218 | 72 Ų | 72 | 82% | 0.823 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76 | 133.1 | 175.2 | -72 | 179.9 | 173.7 | -90.1 | -2.4 | 110.7 | ||
| 232 | C | 84.3 | Confident | 80.2 | Confident | 24 Ų | 24 | 67 Ų | 67 | 16% | 0.162 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 131 | 174.3 | -63.6 | 0 | 0 | 0 | 0 | 111.2 | G222 S223 C234 C240 | G222-C232 PolarHBondContact O-N 3.1Å; S223-C232 PolarHBondContact N-SG 3.08Å; S223-C232 VanDerWaalsContact N-SG 3.36Å; C232-C234 VanDerWaalsContact C-N 3.28Å; C232-C234 PolarHBondContact O-N 2.83Å; C232-C240 HydrophobicContact CB-CB 3.49Å; C232-C240 VanDerWaalsContact CB-CB 3.49Å; C232-C240 WeakPolarHBondContact CB-SG 3.44Å; C232-C240 WeakPolarHBondContact SG-CB 3.38Å; C232-C240 CovalentContact SG-SG 2.02Å; C232-C240 PolarHBondContact SG-SG 3.19Å |
| 233 | P | 82.3 | Confident | 80.5 | Confident | 66 Ų | 66 | 68.4 Ų | 68.4 | 43% | 0.429 | 37% | 0.367 | S | S | . | . | trans | -84 | -0.1 | -177.1 | 34.8 | -37.1 | 0 | 0 | 0 | 113.8 | V257 | P233-V257 HydrophobicContact CB-CG1 3.84Å; P233-V257 HydrophobicContact CG-CG1 4.02Å | ||
| 234 | C | 84.1 | Confident | 80.5 | Confident | 27 Ų | 27 | 71.1 Ų | 71.1 | 18% | 0.182 | 38% | 0.383 | C | S | . | . | trans | -68.5 | 136 | -170.5 | -44.5 | 0 | 0 | 0 | 0 | 112.9 | C232 G238 C247 | C232-C234 VanDerWaalsContact C-N 3.28Å; C232-C234 PolarHBondContact O-N 2.83Å; C234-G238 VanDerWaalsContact CB-O 3.24Å; C234-G238 WeakPolarHBondContact CB-O 3.39Å; C234-C247 WeakPolarHBondContact CA-SG 3.37Å; C234-C247 HydrophobicContact CB-CB 3.83Å; C234-C247 WeakPolarHBondContact CB-SG 3.3Å; C234-C247 VanDerWaalsContact SG-CA 3.54Å; C234-C247 WeakPolarHBondContact SG-CB 3.37Å; C234-C247 CovalentContact SG-SG 2.03Å; C234-C247 PolarHBondContact SG-SG 3.46Å | ||
| 235 | Q | 81.6 | Confident | 80.1 | Confident | 103 Ų | 103 | 70.4 Ų | 70.4 | 48% | 0.481 | 38% | 0.382 | S | S | . | . | trans | -111.4 | 172.8 | -179.9 | -55.9 | -175.5 | 16.9 | 0 | 0 | 110.7 | G237 G238 V257 | Q235-G237 PolarHBondContact O-N 3.44Å; Q235-G238 PolarHBondContact O-N 2.71Å; Q235-V257 PolarHBondContact N-O 2.92Å | ||
| 236 | N | 77.1 | Confident | 80.3 | Confident | 78 Ų | 78 | 76.5 Ų | 76.5 | 42% | 0.417 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 25.3 | 173.2 | -55.7 | -43.1 | 0 | 0 | 0 | 115.9 | P250 W253 C258 | N236-P250 WeakPolarHBondContact O-CG 3.05Å; N236-W253 HydrophobicContact CB-CD2 3.88Å; N236-W253 HydrophobicContact CB-CE3 4.26Å; N236-W253 HydrophobicContact CB-CG 4.18Å; N236-W253 HydrophobicContact CB-CZ2 4.4Å; N236-W253 WeakPolarHBondContact ND2-CZ3 2.99Å; N236-C258 PolarHBondContact ND2-O 3.48Å |
| 237 | G | 74.9 | Confident | 80.7 | Confident | 66 Ų | 66 | 75.2 Ų | 75.2 | 68% | 0.68 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.2 | 10.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q235 | Q235-G237 PolarHBondContact O-N 3.44Š|
| 238 | G | 78.9 | Confident | 81.1 | Confident | 14 Ų | 14 | 72.1 Ų | 72.1 | 14% | 0.144 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 136.8 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | C234 Q235 A248 | C234-G238 VanDerWaalsContact CB-O 3.24Å; C234-G238 WeakPolarHBondContact CB-O 3.39Å; Q235-G238 PolarHBondContact O-N 2.71Å; G238-A248 WeakPolarHBondContact CA-O 3.33Å |
| 239 | M | 81.8 | Confident | 81.4 | Confident | 138 Ų | 138 | 71.4 Ų | 71.4 | 68% | 0.68 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 127.4 | 179.8 | -69.8 | -176.2 | -72.5 | 0 | 0 | 110.2 | A248 | M239-A248 PolarHBondContact N-O 3.25Å; M239-A248 PolarHBondContact O-N 3.48Å |
| 240 | C | 83 | Confident | 81.5 | Confident | 31 Ų | 31 | 65.4 Ų | 65.4 | 21% | 0.209 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 143.5 | 174.8 | 46.3 | 0 | 0 | 0 | 0 | 112.6 | C232 H242 E246 | C232-C240 HydrophobicContact CB-CB 3.49Å; C232-C240 VanDerWaalsContact CB-CB 3.49Å; C232-C240 WeakPolarHBondContact CB-SG 3.44Å; C232-C240 WeakPolarHBondContact SG-CB 3.38Å; C232-C240 CovalentContact SG-SG 2.02Å; C232-C240 PolarHBondContact SG-SG 3.19Å; C240-H242 PolarHBondContact O-N 3.4Å; C240-E246 CarbonylContact C-O 3.53Å; C240-E246 WeakPolarHBondContact CA-O 3.43Å |
| 241 | H | 81.6 | Confident | 81.5 | Confident | 90 Ų | 90 | 63.8 Ų | 63.8 | 42% | 0.417 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 116.2 | 168.2 | -172.6 | -101.1 | 0 | 0 | 0 | 110.2 | I243 T244 G245 E246 | H241-I243 PolarHBondContact O-N 3.43Å; H241-T244 PolarHBondContact ND1-OG1 2.81Å; H241-T244 PolarHBondContact O-N 2.64Å; H241-G245 WeakPolarHBondContact O-CA 3.02Å; H241-G245 PolarHBondContact O-N 3.21Å; H241-E246 PolarHBondContact N-O 2.03Å |
| 242 | H | 77.5 | Confident | 81.5 | Confident | 37 Ų | 37 | 53.4 Ų | 53.4 | 17% | 0.171 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -27.3 | -170.4 | 67.1 | 115.5 | 0 | 0 | 0 | 115.5 | G209 Y210 C219 H224 G225 C240 | G209-H242 WeakPolarHBondContact CA-O 3.23Å; G209-H242 PolarHBondContact O-ND1 3.33Å; Y210-H242 AromaticContact CZ-CE1 3.89Å; C219-H242 HydrophobicContact CB-CB 4.42Å; H224-H242 VanDerWaalsContact CA-O 3.23Å; H224-H242 WeakPolarHBondContact CA-O 3.5Å; H224-H242 VanDerWaalsContact CB-O 3.22Å; H224-H242 WeakPolarHBondContact CB-O 3.4Å; G225-H242 PolarHBondContact N-O 2.82Å; G225-H242 VanDerWaalsContact N-O 3.12Å; C240-H242 PolarHBondContact O-N 3.4Å |
| 243 | I | 82.4 | Confident | 81.5 | Confident | 67 Ų | 67 | 55.2 Ų | 55.2 | 34% | 0.344 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -50 | 177.7 | -50.7 | -177.3 | 0 | 0 | 0 | 111.9 | P208 Y210 H241 | P208-I243 HydrophobicContact CB-CG2 4.37Å; Y210-I243 HydrophobicContact CE2-CD1 4.38Å; H241-I243 PolarHBondContact O-N 3.43Å |
| 244 | T | 82.6 | Confident | 81.5 | Confident | 74 Ų | 74 | 55.3 Ų | 55.3 | 45% | 0.454 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | -21.6 | -166.5 | 54.6 | 0 | 0 | 0 | 0 | 114.3 | H241 E246 | H241-T244 PolarHBondContact ND1-OG1 2.81Å; H241-T244 PolarHBondContact O-N 2.64Å; T244-E246 VanDerWaalsContact C-N 3.29Å; T244-E246 WeakPolarHBondContact CB-OE2 3.41Å; T244-E246 PolarHBondContact OG1-OE2 3.5Å |
| 245 | G | 76.6 | Confident | 81.3 | Confident | 8 Ų | 8 | 55.5 Ų | 55.5 | 8% | 0.082 | 32% | 0.321 | C | S | . | . | trans | 81.9 | -2 | -175 | 0 | 0 | 0 | 0 | 0 | 115 | H241 | H241-G245 WeakPolarHBondContact O-CA 3.02Å; H241-G245 PolarHBondContact O-N 3.21Å | ||
| 246 | E | 83.4 | Confident | 81.2 | Confident | 134 Ų | 134 | 54.9 Ų | 54.9 | 63% | 0.626 | 33% | 0.334 | S | S | * | . | trans | -63.7 | 137 | 178.9 | -70 | 168.2 | 114.6 | 0 | 0 | 111.7 | C240 H241 T244 | C240-E246 CarbonylContact C-O 3.53Å; C240-E246 WeakPolarHBondContact CA-O 3.43Å; H241-E246 PolarHBondContact N-O 2.03Å; T244-E246 VanDerWaalsContact C-N 3.29Å; T244-E246 WeakPolarHBondContact CB-OE2 3.41Å; T244-E246 PolarHBondContact OG1-OE2 3.5Å | ||
| 247 | C | 85.4 | Confident | 81.5 | Confident | 21 Ų | 21 | 53.6 Ų | 53.6 | 14% | 0.142 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 118.9 | -174.7 | -58.2 | 0 | 0 | 0 | 0 | 112.1 | C234 A256 C258 | C234-C247 WeakPolarHBondContact CA-SG 3.37Å; C234-C247 HydrophobicContact CB-CB 3.83Å; C234-C247 WeakPolarHBondContact CB-SG 3.3Å; C234-C247 VanDerWaalsContact SG-CA 3.54Å; C234-C247 WeakPolarHBondContact SG-CB 3.37Å; C234-C247 CovalentContact SG-SG 2.03Å; C234-C247 PolarHBondContact SG-SG 3.46Å; C247-A256 PolarHBondContact SG-O 2.81Å; C247-C258 VanDerWaalsContact CB-SG 3.57Å |
| 248 | A | 83.4 | Confident | 82 | Confident | 47 Ų | 47 | 50.5 Ų | 50.5 | 39% | 0.388 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 114.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | G238 M239 | G238-A248 WeakPolarHBondContact CA-O 3.33Å; M239-A248 PolarHBondContact N-O 3.25Å; M239-A248 PolarHBondContact O-N 3.48Å |
| 249 | C | 85.2 | Confident | 82.2 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.014 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -81.5 | 146.9 | -174.1 | -57.5 | 0 | 0 | 0 | 0 | 112.8 | W253 G255 C258 Q269 N270 | C249-W253 HydrophobicContact CB-CB 4.48Å; C249-W253 WeakPolarHBondContact CB-O 3.43Å; C249-G255 PolarHBondContact SG-O 2.76Å; C249-C258 WeakPolarHBondContact CA-SG 3.2Å; C249-C258 HydrophobicContact CB-CB 3.74Å; C249-C258 WeakPolarHBondContact CB-SG 3.23Å; C249-C258 WeakPolarHBondContact SG-CA 3.49Å; C249-C258 WeakPolarHBondContact SG-CB 3.49Å; C249-C258 CovalentContact SG-SG 2.04Å; C249-C258 PolarHBondContact SG-SG 3.31Å; C249-Q269 WeakPolarHBondContact O-CG 3.49Å; C249-Q269 PolarHBondContact O-NE2 3.43Å; C249-N270 WeakPolarHBondContact CB-OD1 3.49Å; C249-N270 PolarHBondContact N-OD1 3.11Å |
| 250 | P | 82.1 | Confident | 82.3 | Confident | 31 Ų | 31 | 50.7 Ų | 50.7 | 20% | 0.201 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 168.7 | 174.2 | 32 | -30.4 | 0 | 0 | 0 | 110.4 | N236 G252 W253 | N236-P250 WeakPolarHBondContact O-CG 3.05Å; P250-G252 PolarHBondContact O-N 3.24Å; P250-W253 HydrophobicContact CG-CB 4.41Å; P250-W253 HydrophobicContact CG-CG 4.46Å; P250-W253 PolarHBondContact O-N 2.87Å |
| 251 | P | 81.8 | Confident | 82.2 | Confident | 63 Ų | 63 | 52.4 Ų | 52.4 | 41% | 0.409 | 31% | 0.31 | S | S | . | . | B | Isolated β-bridge | trans | -50.4 | 133.3 | 174.7 | -28.7 | 36.9 | 0 | 0 | 0 | 113.1 | G268 V286 | P251-G268 WeakPolarHBondContact CA-O 3.19Å; P251-V286 HydrophobicContact CB-CG1 4.36Å |
| 252 | G | 81.1 | Confident | 82.4 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | 3.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | P250 P261 C262 G268 H285 | P250-G252 PolarHBondContact O-N 3.24Å; G252-P261 CarbonylContact O-C 3.55Å; G252-P261 WeakPolarHBondContact O-CA 3Å; G252-C262 WeakPolarHBondContact CA-SG 3.23Å; G252-C262 PolarHBondContact O-N 3.01Å; G252-G268 PolarHBondContact N-O 3.22Å; G252-H285 WeakPolarHBondContact CA-O 3.26Å; G252-H285 PolarHBondContact O-ND1 2.7Å |
| 253 | W | 85.3 | Confident | 82.6 | Confident | 63 Ų | 63 | 49.8 Ų | 49.8 | 24% | 0.239 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 149.8 | -179.2 | -59.8 | 90.1 | 0 | 0 | 0 | 112.7 | N236 C249 P250 C258 Q260 P261 | N236-W253 HydrophobicContact CB-CD2 3.88Å; N236-W253 HydrophobicContact CB-CE3 4.26Å; N236-W253 HydrophobicContact CB-CG 4.18Å; N236-W253 HydrophobicContact CB-CZ2 4.4Å; N236-W253 WeakPolarHBondContact ND2-CZ3 2.99Å; C249-W253 HydrophobicContact CB-CB 4.48Å; C249-W253 WeakPolarHBondContact CB-O 3.43Å; P250-W253 HydrophobicContact CG-CB 4.41Å; P250-W253 HydrophobicContact CG-CG 4.46Å; P250-W253 PolarHBondContact O-N 2.87Å; W253-C258 HydrophobicContact CB-CB 4.45Å; W253-Q260 CarbonylContact C-O 3.53Å; W253-Q260 VanDerWaalsContact CA-O 3.31Å; W253-Q260 WeakPolarHBondContact CA-O 3.06Å; W253-Q260 VanDerWaalsContact CE3-C 3.49Å; W253-P261 HydrophobicContact CE3-CB 4.35Å; W253-P261 HydrophobicContact CZ3-CB 4.18Å |
| 254 | M | 82.1 | Confident | 82.4 | Confident | 67 Ų | 67 | 53.5 Ų | 53.5 | 33% | 0.33 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | -175.4 | -179.9 | 63.3 | 170.7 | -73.7 | 0 | 0 | 113.3 | C258 Q260 P263 C271 | M254-C258 CarbonylContact O-C 3.52Å; M254-C258 WeakPolarHBondContact O-CA 3.38Å; M254-Q260 HydrophobicContact CG-CB 4.33Å; M254-Q260 PolarHBondContact N-O 3.08Å; M254-Q260 PolarHBondContact O-N 3.36Å; M254-P263 HydrophobicContact SD-CG 4.47Å; M254-C271 VanDerWaalsContact CB-SG 3.6Å; M254-C271 HydrophobicContact SD-CB 4.23Å |
| 255 | G | 78.6 | Confident | 82.1 | Confident | 31 Ų | 31 | 51.7 Ų | 51.7 | 32% | 0.32 | 33% | 0.329 | S | S | . | . | S | Bend | trans | 84 | 159.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | C249 V257 C258 | C249-G255 PolarHBondContact SG-O 2.76Å; G255-V257 PolarHBondContact O-N 3.4Å; G255-C258 PolarHBondContact O-N 2.81Å |
| 256 | A | 79.8 | Confident | 82.5 | Confident | 91 Ų | 91 | 52.6 Ų | 52.6 | 75% | 0.752 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -11 | -170 | 0 | 0 | 0 | 0 | 0 | 116 | C247 | C247-A256 PolarHBondContact SG-O 2.81Š|
| 257 | V | 84.6 | Confident | 82.6 | Confident | 51 Ų | 51 | 47.7 Ų | 47.7 | 31% | 0.309 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.8 | 11.8 | 176.8 | -61.2 | 0 | 0 | 0 | 0 | 113.2 | P233 Q235 G255 A259 | P233-V257 HydrophobicContact CB-CG1 3.84Å; P233-V257 HydrophobicContact CG-CG1 4.02Å; Q235-V257 PolarHBondContact N-O 2.92Å; G255-V257 PolarHBondContact O-N 3.4Å; V257-A259 HydrophobicContact CG2-CB 3.91Å; V257-A259 PolarHBondContact O-N 3.32Å; V257-A259 VanDerWaalsContact O-N 3.17Å |
| 258 | C | 84.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 31% | 0.306 | C | S | . | . | S | Bend | trans | 59.2 | 23.2 | 178.3 | -45.7 | 0 | 0 | 0 | 0 | 115.7 | N236 C247 C249 W253 M254 G255 | N236-C258 PolarHBondContact ND2-O 3.48Å; C247-C258 VanDerWaalsContact CB-SG 3.57Å; C249-C258 WeakPolarHBondContact CA-SG 3.2Å; C249-C258 HydrophobicContact CB-CB 3.74Å; C249-C258 WeakPolarHBondContact CB-SG 3.23Å; C249-C258 WeakPolarHBondContact SG-CA 3.49Å; C249-C258 WeakPolarHBondContact SG-CB 3.49Å; C249-C258 CovalentContact SG-SG 2.04Å; C249-C258 PolarHBondContact SG-SG 3.31Å; W253-C258 HydrophobicContact CB-CB 4.45Å; M254-C258 CarbonylContact O-C 3.52Å; M254-C258 WeakPolarHBondContact O-CA 3.38Å; G255-C258 PolarHBondContact O-N 2.81Å |
| 259 | A | 83.5 | Confident | 82 | Confident | 41 Ų | 41 | 49.4 Ų | 49.4 | 34% | 0.339 | 31% | 0.309 | S | S | . | . | trans | -85.4 | -11.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | V257 | V257-A259 HydrophobicContact CG2-CB 3.91Å; V257-A259 PolarHBondContact O-N 3.32Å; V257-A259 VanDerWaalsContact O-N 3.17Å | ||
| 260 | Q | 83.1 | Confident | 81.4 | Confident | 116 Ų | 116 | 53.6 Ų | 53.6 | 54% | 0.542 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 131.3 | -177.9 | -65.7 | 175.6 | -21 | 0 | 0 | 110.1 | W253 M254 | W253-Q260 CarbonylContact C-O 3.53Å; W253-Q260 VanDerWaalsContact CA-O 3.31Å; W253-Q260 WeakPolarHBondContact CA-O 3.06Å; W253-Q260 VanDerWaalsContact CE3-C 3.49Å; M254-Q260 HydrophobicContact CG-CB 4.33Å; M254-Q260 PolarHBondContact N-O 3.08Å; M254-Q260 PolarHBondContact O-N 3.36Å |
| 261 | P | 81.7 | Confident | 81.3 | Confident | 66 Ų | 66 | 52.8 Ų | 52.8 | 43% | 0.429 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 163.1 | 170 | 31.7 | -35.3 | 0 | 0 | 0 | 110.5 | G252 W253 | G252-P261 CarbonylContact O-C 3.55Å; G252-P261 WeakPolarHBondContact O-CA 3Å; W253-P261 HydrophobicContact CE3-CB 4.35Å; W253-P261 HydrophobicContact CZ3-CB 4.18Å |
| 262 | C | 85 | Confident | 81.3 | Confident | 11 Ų | 11 | 54.1 Ų | 54.1 | 7% | 0.074 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 145.2 | 176.2 | -61.3 | 0 | 0 | 0 | 0 | 112.7 | G252 T266 C271 H285 | G252-C262 WeakPolarHBondContact CA-SG 3.23Å; G252-C262 PolarHBondContact O-N 3.01Å; C262-T266 VanDerWaalsContact CB-O 3.23Å; C262-T266 WeakPolarHBondContact CB-O 3Å; C262-C271 WeakPolarHBondContact CA-SG 3.4Å; C262-C271 HydrophobicContact CB-CB 3.67Å; C262-C271 WeakPolarHBondContact CB-SG 3.17Å; C262-C271 WeakPolarHBondContact SG-CA 3.25Å; C262-C271 WeakPolarHBondContact SG-CB 3.46Å; C262-C271 CovalentContact SG-SG 2.02Å; C262-C271 PolarHBondContact SG-SG 2.83Å; C262-H285 HydrophobicContact CB-CB 4.11Å |
| 263 | P | 82.6 | Confident | 81.2 | Confident | 62 Ų | 62 | 59 Ų | 59 | 40% | 0.403 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 154 | 176.8 | 29.1 | -35.8 | 0 | 0 | 0 | 111.1 | M254 G265 T266 | M254-P263 HydrophobicContact SD-CG 4.47Å; P263-G265 PolarHBondContact O-N 2.95Å; P263-G265 VanDerWaalsContact O-N 3.09Å; P263-T266 PolarHBondContact O-N 2.8Å; P263-T266 VanDerWaalsContact O-N 3.1Å |
| 264 | P | 77.5 | Confident | 81.1 | Confident | 144 Ų | 144 | 62.4 Ų | 62.4 | 94% | 0.935 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 118.7 | 178.2 | -24.5 | 34.3 | 0 | 0 | 0 | 111.3 | ||
| 265 | G | 76.4 | Confident | 81 | Confident | 36 Ų | 36 | 60.3 Ų | 60.3 | 37% | 0.371 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 107.6 | -2.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | P263 C275 | P263-G265 PolarHBondContact O-N 2.95Å; P263-G265 VanDerWaalsContact O-N 3.09Å; G265-C275 VanDerWaalsContact C-SG 3.6Å; G265-C275 WeakPolarHBondContact O-CB 3.17Å; G265-C275 PolarHBondContact O-N 3.15Å |
| 266 | T | 84.7 | Confident | 81 | Confident | 28 Ų | 28 | 60.8 Ų | 60.8 | 17% | 0.172 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 157.5 | 168 | 69.7 | 0 | 0 | 0 | 0 | 113.2 | C262 P263 C271 Q273 C275 | C262-T266 VanDerWaalsContact CB-O 3.23Å; C262-T266 WeakPolarHBondContact CB-O 3Å; P263-T266 PolarHBondContact O-N 2.8Å; P263-T266 VanDerWaalsContact O-N 3.1Å; T266-C271 WeakPolarHBondContact CB-O 3.12Å; T266-C271 PolarHBondContact OG1-O 3.41Å; T266-Q273 CarbonylContact C-O 3.5Å; T266-Q273 VanDerWaalsContact CA-O 3.23Å; T266-Q273 WeakPolarHBondContact CA-O 3.42Å; T266-Q273 WeakPolarHBondContact CB-O 3.37Å; T266-C275 VanDerWaalsContact C-SG 3.58Å |
| 267 | F | 85.6 | Confident | 81.1 | Confident | 30 Ų | 30 | 57.9 Ų | 57.9 | 13% | 0.132 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | -176.6 | -177.9 | 78.2 | -79.1 | 0 | 0 | 0 | 112.1 | C271 S272 Q273 D274 H285 G288 | F267-C271 CarbonylContact O-C 3.52Å; F267-C271 WeakPolarHBondContact O-CA 2.97Å; F267-S272 PolarHBondContact O-N 3.33Å; F267-Q273 HydrophobicContact CD1-CB 3.89Å; F267-Q273 WeakPolarHBondContact CD1-O 3.21Å; F267-Q273 HydrophobicContact CE1-CB 3.59Å; F267-Q273 HydrophobicContact CE2-CB 4.32Å; F267-Q273 HydrophobicContact CG-CB 4.38Å; F267-Q273 HydrophobicContact CZ-CB 3.83Å; F267-Q273 VanDerWaalsContact CZ-OE1 3.23Å; F267-Q273 PolarHBondContact N-O 2.85Å; F267-Q273 PolarHBondContact O-N 2.94Å; F267-Q273 VanDerWaalsContact O-N 3.17Å; F267-D274 WeakPolarHBondContact CE1-O 3.02Å; F267-H285 WeakPolarHBondContact CA-O 3.42Å; F267-H285 WeakPolarHBondContact CB-O 3.37Å; F267-G288 VanDerWaalsContact CD2-N 3.3Å |
| 268 | G | 76.6 | Confident | 80.8 | Confident | 6 Ų | 6 | 59.3 Ų | 59.3 | 6% | 0.062 | 35% | 0.349 | C | S | . | . | S | Bend | trans | 78.6 | -168.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | P251 G252 N270 C271 | P251-G268 WeakPolarHBondContact CA-O 3.19Å; G252-G268 PolarHBondContact N-O 3.22Å; G268-N270 PolarHBondContact O-N 3.35Å; G268-C271 PolarHBondContact O-N 2.03Å; G268-C271 VanDerWaalsContact O-N 3.09Å |
| 269 | Q | 79.7 | Confident | 80.3 | Confident | 99 Ų | 99 | 64.1 Ų | 64.1 | 46% | 0.463 | 37% | 0.371 | S | S | . | . | B | Isolated β-bridge | trans | -68.7 | 128.9 | -172.2 | -158 | 176.4 | 16.3 | 0 | 0 | 111.4 | C249 C271 S272 | C249-Q269 WeakPolarHBondContact O-CG 3.49Å; C249-Q269 PolarHBondContact O-NE2 3.43Å; Q269-C271 PolarHBondContact O-N 3.12Å; Q269-C271 VanDerWaalsContact O-N 3.09Å; Q269-S272 WeakPolarHBondContact O-CB 3.19Å; Q269-S272 PolarHBondContact O-N 3.31Å; Q269-S272 PolarHBondContact O-OG 3.14Å |
| 270 | N | 73.4 | Confident | 79.8 | Confident | 90 Ų | 90 | 65 Ų | 65 | 48% | 0.481 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 25.4 | -169.7 | -60.4 | -42.1 | 0 | 0 | 0 | 113.9 | C249 G268 S272 | C249-N270 WeakPolarHBondContact CB-OD1 3.49Å; C249-N270 PolarHBondContact N-OD1 3.11Å; G268-N270 PolarHBondContact O-N 3.35Å; N270-S272 PolarHBondContact O-N 3.22Å |
| 271 | C | 79.9 | Confident | 79.5 | Confident | 13 Ų | 13 | 60 Ų | 60 | 9% | 0.088 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 32 | 179.8 | -47.2 | 0 | 0 | 0 | 0 | 114.3 | M254 C262 T266 F267 G268 Q269 | M254-C271 VanDerWaalsContact CB-SG 3.6Å; M254-C271 HydrophobicContact SD-CB 4.23Å; C262-C271 WeakPolarHBondContact CA-SG 3.4Å; C262-C271 HydrophobicContact CB-CB 3.67Å; C262-C271 WeakPolarHBondContact CB-SG 3.17Å; C262-C271 WeakPolarHBondContact SG-CA 3.25Å; C262-C271 WeakPolarHBondContact SG-CB 3.46Å; C262-C271 CovalentContact SG-SG 2.02Å; C262-C271 PolarHBondContact SG-SG 2.83Å; T266-C271 WeakPolarHBondContact CB-O 3.12Å; T266-C271 PolarHBondContact OG1-O 3.41Å; F267-C271 CarbonylContact O-C 3.52Å; F267-C271 WeakPolarHBondContact O-CA 2.97Å; G268-C271 PolarHBondContact O-N 2.03Å; G268-C271 VanDerWaalsContact O-N 3.09Å; Q269-C271 PolarHBondContact O-N 3.12Å; Q269-C271 VanDerWaalsContact O-N 3.09Å |
| 272 | S | 81.1 | Confident | 79.4 | Confident | 92 Ų | 92 | 64 Ų | 64 | 64% | 0.643 | 38% | 0.377 | S | S | * | . | trans | -86 | 1.9 | -171.4 | 58.1 | 0 | 0 | 0 | 0 | 115.5 | F267 Q269 N270 | F267-S272 PolarHBondContact O-N 3.33Å; Q269-S272 WeakPolarHBondContact O-CB 3.19Å; Q269-S272 PolarHBondContact O-N 3.31Å; Q269-S272 PolarHBondContact O-OG 3.14Å; N270-S272 PolarHBondContact O-N 3.22Å | ||
| 273 | Q | 80.2 | Confident | 79.3 | Confident | 101 Ų | 101 | 65.1 Ų | 65.1 | 47% | 0.472 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 125.8 | 178.8 | -57.1 | -173.9 | 23.8 | 0 | 0 | 110 | T266 F267 | T266-Q273 CarbonylContact C-O 3.5Å; T266-Q273 VanDerWaalsContact CA-O 3.23Å; T266-Q273 WeakPolarHBondContact CA-O 3.42Å; T266-Q273 WeakPolarHBondContact CB-O 3.37Å; F267-Q273 HydrophobicContact CD1-CB 3.89Å; F267-Q273 WeakPolarHBondContact CD1-O 3.21Å; F267-Q273 HydrophobicContact CE1-CB 3.59Å; F267-Q273 HydrophobicContact CE2-CB 4.32Å; F267-Q273 HydrophobicContact CG-CB 4.38Å; F267-Q273 HydrophobicContact CZ-CB 3.83Å; F267-Q273 VanDerWaalsContact CZ-OE1 3.23Å; F267-Q273 PolarHBondContact N-O 2.85Å; F267-Q273 PolarHBondContact O-N 2.94Å; F267-Q273 VanDerWaalsContact O-N 3.17Å |
| 274 | D | 82.5 | Confident | 79.3 | Confident | 136 Ų | 136 | 65.5 Ų | 65.5 | 73% | 0.727 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 139.1 | 174.1 | -61.8 | -58.2 | 0 | 0 | 0 | 110.8 | F267 P276 | F267-D274 WeakPolarHBondContact CE1-O 3.02Å; D274-P276 VanDerWaalsContact O-CD 3.23Å; D274-P276 WeakPolarHBondContact O-CD 3.29Å |
| 275 | C | 80.1 | Confident | 79.3 | Confident | 22 Ų | 22 | 61.7 Ų | 61.7 | 15% | 0.149 | 35% | 0.353 | C | S | . | . | trans | -77.9 | 117.6 | 179.5 | -76.2 | 0 | 0 | 0 | 0 | 112.3 | G265 T266 C277 C283 | G265-C275 VanDerWaalsContact C-SG 3.6Å; G265-C275 WeakPolarHBondContact O-CB 3.17Å; G265-C275 PolarHBondContact O-N 3.15Å; T266-C275 VanDerWaalsContact C-SG 3.58Å; C275-C277 PolarHBondContact O-N 2.74Å; C275-C283 HydrophobicContact CB-CB 3.54Å; C275-C283 WeakPolarHBondContact CB-SG 3.5Å; C275-C283 WeakPolarHBondContact SG-CB 3.33Å; C275-C283 CovalentContact SG-SG 2.03Å; C275-C283 PolarHBondContact SG-SG 3.43Å | ||
| 276 | P | 79.3 | Confident | 79.6 | Confident | 41 Ų | 41 | 62.7 Ų | 62.7 | 27% | 0.266 | 35% | 0.352 | S | S | . | . | trans | -49 | -6.9 | 174.9 | -38.9 | 43.8 | 0 | 0 | 0 | 121.5 | D274 H278 R300 | D274-P276 VanDerWaalsContact O-CD 3.23Å; D274-P276 WeakPolarHBondContact O-CD 3.29Å; P276-H278 PolarHBondContact O-CD2 3.19Å; P276-H278 VanDerWaalsContact O-CD2 3.28Å; P276-H278 PolarHBondContact O-NE2 3.4Å; P276-R300 HydrophobicContact CB-CB 4.2Å; P276-R300 HydrophobicContact CB-CG 3.69Å; P276-R300 VanDerWaalsContact CB-CZ 3.47Å; P276-R300 PolarHBondContact O-NE 3.24Å; P276-R300 PolarHBondContact O-NH2 3.22Å | ||
| 277 | C | 81.7 | Confident | 79.4 | Confident | 30 Ų | 30 | 65.3 Ų | 65.3 | 20% | 0.203 | 37% | 0.368 | C | S | . | . | trans | -76.9 | 127.2 | -154.8 | -48.1 | 0 | 0 | 0 | 0 | 114.6 | C275 G281 C290 | C275-C277 PolarHBondContact O-N 2.74Å; C277-G281 WeakPolarHBondContact CB-O 2.98Å; C277-C290 WeakPolarHBondContact CA-SG 3.43Å; C277-C290 HydrophobicContact CB-CB 3.83Å; C277-C290 WeakPolarHBondContact CB-SG 3.41Å; C277-C290 VanDerWaalsContact SG-CA 3.57Å; C277-C290 WeakPolarHBondContact SG-CB 3.44Å; C277-C290 CovalentContact SG-SG 2.04Å; C277-C290 PolarHBondContact SG-SG 2.66Å | ||
| 278 | H | 78.7 | Confident | 79 | Confident | 81 Ų | 81 | 64.3 Ų | 64.3 | 38% | 0.375 | 37% | 0.366 | S | S | . | . | trans | -96.5 | 170.9 | 176.7 | -61.4 | -74.7 | 0 | 0 | 0 | 112.2 | P276 G280 G281 R300 | P276-H278 PolarHBondContact O-CD2 3.19Å; P276-H278 VanDerWaalsContact O-CD2 3.28Å; P276-H278 PolarHBondContact O-NE2 3.4Å; H278-G280 PolarHBondContact O-N 3.02Å; H278-G281 PolarHBondContact O-N 2.85Å; H278-R300 PolarHBondContact N-O 3.45Å; H278-R300 PolarHBondContact NE2-NH2 3.35Å | ||
| 279 | H | 73.6 | Confident | 79.2 | Confident | 101 Ų | 101 | 70.7 Ų | 70.7 | 47% | 0.468 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 29 | 173.6 | -52.3 | 116.8 | 0 | 0 | 0 | 116.4 | G281 T293 Y296 C301 | H279-G281 VanDerWaalsContact C-N 3.33Å; H279-T293 PolarHBondContact O-OG1 2.88Å; H279-Y296 HydrophobicContact CB-CD1 3.98Å; H279-Y296 HydrophobicContact CB-CD2 3.98Å; H279-Y296 HydrophobicContact CB-CE1 4.03Å; H279-Y296 HydrophobicContact CB-CE2 4.05Å; H279-Y296 HydrophobicContact CB-CG 3.98Å; H279-Y296 AromaticContact CD2-CE1 3.99Å; H279-Y296 AromaticContact CE1-CE1 3.95Å; H279-Y296 AromaticContact CG-CD1 3.76Å; H279-Y296 AromaticContact CG-CE1 3.58Å; H279-Y296 AromaticContact CG-CZ 3.98Å; H279-Y296 AromaticContact ND1-CD1 3.49Å; H279-Y296 WeakPolarHBondContact ND1-CD1 3.43Å; H279-Y296 AromaticContact ND1-CE1 3.57Å; H279-C301 PolarHBondContact ND1-O 2.02Å |
| 280 | G | 72.3 | Confident | 79.4 | Confident | 61 Ų | 61 | 66.6 Ų | 66.6 | 63% | 0.629 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.8 | 14.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | H278 | H278-G280 PolarHBondContact O-N 3.02Š|
| 281 | G | 76.3 | Confident | 79.8 | Confident | 11 Ų | 11 | 67.5 Ų | 67.5 | 11% | 0.113 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 136.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | C277 H278 H279 H291 | C277-G281 WeakPolarHBondContact CB-O 2.98Å; H278-G281 PolarHBondContact O-N 2.85Å; H279-G281 VanDerWaalsContact C-N 3.33Å; G281-H291 CarbonylContact C-O 3.52Å; G281-H291 VanDerWaalsContact CA-O 3.29Å; G281-H291 WeakPolarHBondContact CA-O 3.5Å |
| 282 | Q | 80.4 | Confident | 80 | Confident | 148 Ų | 148 | 67.3 Ų | 67.3 | 69% | 0.692 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 133.2 | -178 | -62.6 | -177.3 | 12.1 | 0 | 0 | 109.9 | H291 | Q282-H291 PolarHBondContact N-O 3.36Å; Q282-H291 WeakPolarHBondContact O-CB 3.05Å; Q282-H291 PolarHBondContact O-N 2.86Å |
| 283 | C | 83.5 | Confident | 80 | Confident | 35 Ų | 35 | 65.4 Ų | 65.4 | 24% | 0.236 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 131.6 | 179 | -168.4 | 0 | 0 | 0 | 0 | 110.8 | C275 H285 | C275-C283 HydrophobicContact CB-CB 3.54Å; C275-C283 WeakPolarHBondContact CB-SG 3.5Å; C275-C283 WeakPolarHBondContact SG-CB 3.33Å; C275-C283 CovalentContact SG-SG 2.03Å; C275-C283 PolarHBondContact SG-SG 3.43Å; C283-H285 PolarHBondContact O-N 2.03Å |
| 284 | D | 81.9 | Confident | 79.9 | Confident | 70 Ų | 70 | 62.6 Ų | 62.6 | 37% | 0.374 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 118.3 | 164.5 | 179.2 | -76.4 | 0 | 0 | 0 | 109.4 | V286 T287 G288 Q289 | D284-V286 PolarHBondContact O-N 2.81Å; D284-V286 PolarHBondContact OD1-N 3.43Å; D284-T287 WeakPolarHBondContact CB-OG1 3.46Å; D284-T287 WeakPolarHBondContact OD1-CB 3Å; D284-T287 PolarHBondContact OD1-N 2.83Å; D284-T287 PolarHBondContact OD1-OG1 3.5Å; D284-G288 WeakPolarHBondContact O-CA 3.41Å; D284-G288 PolarHBondContact O-N 2.88Å; D284-Q289 HydrophobicContact CB-CB 4.45Å; D284-Q289 PolarHBondContact N-O 3.4Å |
| 285 | H | 77.6 | Confident | 79.7 | Confident | 64 Ų | 64 | 56.2 Ų | 56.2 | 30% | 0.296 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -23.8 | -171.8 | 66.5 | 101.8 | 0 | 0 | 0 | 113.7 | G252 C262 F267 C283 | G252-H285 WeakPolarHBondContact CA-O 3.26Å; G252-H285 PolarHBondContact O-ND1 2.7Å; C262-H285 HydrophobicContact CB-CB 4.11Å; F267-H285 WeakPolarHBondContact CA-O 3.42Å; F267-H285 WeakPolarHBondContact CB-O 3.37Å; C283-H285 PolarHBondContact O-N 2.03Å |
| 286 | V | 81.6 | Confident | 79.9 | Confident | 57 Ų | 57 | 57.7 Ų | 57.7 | 35% | 0.345 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -47.1 | -178.1 | -178.4 | 0 | 0 | 0 | 0 | 111.2 | P251 D284 | P251-V286 HydrophobicContact CB-CG1 4.36Å; D284-V286 PolarHBondContact O-N 2.81Å; D284-V286 PolarHBondContact OD1-N 3.43Å |
| 287 | T | 82.1 | Confident | 79.9 | Confident | 83 Ų | 83 | 58.7 Ų | 58.7 | 51% | 0.509 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -21.2 | -167.7 | 61.9 | 0 | 0 | 0 | 0 | 114.2 | D284 Q289 | D284-T287 WeakPolarHBondContact CB-OG1 3.46Å; D284-T287 WeakPolarHBondContact OD1-CB 3Å; D284-T287 PolarHBondContact OD1-N 2.83Å; D284-T287 PolarHBondContact OD1-OG1 3.5Å; T287-Q289 VanDerWaalsContact C-N 3.27Å; T287-Q289 PolarHBondContact OG1-N 3.25Å |
| 288 | G | 76.2 | Confident | 79.7 | Confident | 10 Ų | 10 | 58.3 Ų | 58.3 | 10% | 0.103 | 33% | 0.327 | C | S | . | . | trans | 79.7 | 3.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | F267 D284 | F267-G288 VanDerWaalsContact CD2-N 3.3Å; D284-G288 WeakPolarHBondContact O-CA 3.41Å; D284-G288 PolarHBondContact O-N 2.88Å | ||
| 289 | Q | 82 | Confident | 79.6 | Confident | 140 Ų | 140 | 61.3 Ų | 61.3 | 65% | 0.654 | 35% | 0.346 | S | S | * | . | trans | -69.8 | 133.1 | -179.6 | -172.3 | 172.9 | 2.5 | 0 | 0 | 111 | D284 T287 | D284-Q289 HydrophobicContact CB-CB 4.45Å; D284-Q289 PolarHBondContact N-O 3.4Å; T287-Q289 VanDerWaalsContact C-N 3.27Å; T287-Q289 PolarHBondContact OG1-N 3.25Å | ||
| 290 | C | 83.4 | Confident | 80 | Confident | 12 Ų | 12 | 61.8 Ų | 61.8 | 8% | 0.081 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 129.2 | 179.4 | -59.6 | 0 | 0 | 0 | 0 | 112 | C277 D299 | C277-C290 WeakPolarHBondContact CA-SG 3.43Å; C277-C290 HydrophobicContact CB-CB 3.83Å; C277-C290 WeakPolarHBondContact CB-SG 3.41Å; C277-C290 VanDerWaalsContact SG-CA 3.57Å; C277-C290 WeakPolarHBondContact SG-CB 3.44Å; C277-C290 CovalentContact SG-SG 2.04Å; C277-C290 PolarHBondContact SG-SG 2.66Å; C290-D299 WeakPolarHBondContact CB-O 3.45Å |
| 291 | H | 82.3 | Confident | 80.4 | Confident | 109 Ų | 109 | 58.9 Ų | 58.9 | 51% | 0.505 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 106.8 | 175 | -172.3 | 91.5 | 0 | 0 | 0 | 109.2 | G281 Q282 F312 | G281-H291 CarbonylContact C-O 3.52Å; G281-H291 VanDerWaalsContact CA-O 3.29Å; G281-H291 WeakPolarHBondContact CA-O 3.5Å; Q282-H291 PolarHBondContact N-O 3.36Å; Q282-H291 WeakPolarHBondContact O-CB 3.05Å; Q282-H291 PolarHBondContact O-N 2.86Å; H291-F312 AromaticContact CD2-CE2 3.75Å; H291-F312 AromaticContact CE1-CE2 3.52Å; H291-F312 AromaticContact CE1-CZ 3.26Å; H291-F312 WeakPolarHBondContact CE1-CZ 3.01Å; H291-F312 AromaticContact ND1-CZ 3.74Å; H291-F312 AromaticContact NE2-CE2 3.32Å; H291-F312 VanDerWaalsContact NE2-CE2 3.32Å; H291-F312 WeakPolarHBondContact NE2-CE2 3.34Å; H291-F312 AromaticContact NE2-CZ 3.59Å |
| 292 | C | 82.9 | Confident | 80.8 | Confident | 9 Ų | 9 | 62 Ų | 62 | 6% | 0.061 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -79.6 | 145.9 | -164.5 | -54.1 | 0 | 0 | 0 | 0 | 114.5 | Y296 C301 F312 | C292-Y296 WeakPolarHBondContact CB-O 3.48Å; C292-C301 WeakPolarHBondContact CA-SG 3.05Å; C292-C301 HydrophobicContact CB-CB 3.73Å; C292-C301 WeakPolarHBondContact CB-SG 3.44Å; C292-C301 WeakPolarHBondContact SG-CA 3.27Å; C292-C301 WeakPolarHBondContact SG-CB 3.08Å; C292-C301 CovalentContact SG-SG 2.04Å; C292-C301 PolarHBondContact SG-SG 2.04Å; C292-F312 WeakPolarHBondContact O-CD2 3.5Å; C292-F312 WeakPolarHBondContact O-CE2 3.29Å |
| 293 | T | 80.6 | Confident | 80.9 | Confident | 52 Ų | 52 | 59.3 Ų | 59.3 | 32% | 0.319 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 152.8 | 169 | 42.9 | 0 | 0 | 0 | 0 | 110.4 | H279 G295 Y296 | H279-T293 PolarHBondContact O-OG1 2.88Å; T293-G295 PolarHBondContact O-N 2.8Å; T293-Y296 PolarHBondContact O-N 3.22Å; T293-Y296 VanDerWaalsContact O-N 3.11Å |
| 294 | A | 79.3 | Confident | 80.7 | Confident | 42 Ų | 42 | 63.5 Ų | 63.5 | 35% | 0.347 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 138 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | G311 T329 | A294-G311 WeakPolarHBondContact CA-O 3.49Å; A294-T329 WeakPolarHBondContact O-CG2 3.48Å |
| 295 | G | 78.4 | Confident | 80.8 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | -8.9 | -172 | 0 | 0 | 0 | 0 | 0 | 115.2 | T293 E304 C305 G311 P328 | T293-G295 PolarHBondContact O-N 2.8Å; G295-E304 WeakPolarHBondContact O-CA 3.3Å; G295-C305 VanDerWaalsContact CA-SG 3.52Å; G295-C305 PolarHBondContact O-N 3.02Å; G295-C305 PolarHBondContact O-SG 3.48Å; G295-G311 PolarHBondContact N-O 3.33Å; G295-P328 WeakPolarHBondContact CA-O 3.23Å |
| 296 | Y | 84.1 | Confident | 81 | Confident | 54 Ų | 54 | 61.2 Ų | 61.2 | 21% | 0.212 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 150.5 | 179.9 | -63 | -83.1 | 0 | 0 | 0 | 113.1 | H279 C292 T293 E303 E304 | H279-Y296 HydrophobicContact CB-CD1 3.98Å; H279-Y296 HydrophobicContact CB-CD2 3.98Å; H279-Y296 HydrophobicContact CB-CE1 4.03Å; H279-Y296 HydrophobicContact CB-CE2 4.05Å; H279-Y296 HydrophobicContact CB-CG 3.98Å; H279-Y296 AromaticContact CD2-CE1 3.99Å; H279-Y296 AromaticContact CE1-CE1 3.95Å; H279-Y296 AromaticContact CG-CD1 3.76Å; H279-Y296 AromaticContact CG-CE1 3.58Å; H279-Y296 AromaticContact CG-CZ 3.98Å; H279-Y296 AromaticContact ND1-CD1 3.49Å; H279-Y296 WeakPolarHBondContact ND1-CD1 3.43Å; H279-Y296 AromaticContact ND1-CE1 3.57Å; C292-Y296 WeakPolarHBondContact CB-O 3.48Å; T293-Y296 PolarHBondContact O-N 3.22Å; T293-Y296 VanDerWaalsContact O-N 3.11Å; Y296-E303 CarbonylContact C-O 3.4Å; Y296-E303 VanDerWaalsContact CA-O 3.23Å; Y296-E303 WeakPolarHBondContact CA-O 3.44Å; Y296-E304 HydrophobicContact CD1-CG 3.78Å; Y296-E304 HydrophobicContact CE1-CG 3.34Å; Y296-E304 PolarHBondContact OH-OE1 2.83Å |
| 297 | M | 79.8 | Confident | 80.9 | Confident | 62 Ų | 62 | 68.4 Ų | 68.4 | 31% | 0.305 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | -174.6 | 179 | 63.1 | 176.1 | -76.9 | 0 | 0 | 112.5 | C301 Q302 E303 P306 C314 | M297-C301 CarbonylContact O-C 3.46Å; M297-C301 WeakPolarHBondContact O-CA 3.26Å; M297-Q302 PolarHBondContact O-N 3.1Å; M297-E303 HydrophobicContact CG-CB 4.08Å; M297-E303 PolarHBondContact N-O 2.94Å; M297-E303 PolarHBondContact O-N 2.99Å; M297-E303 VanDerWaalsContact O-N 3.09Å; M297-P306 HydrophobicContact SD-CG 4.42Å; M297-C314 HydrophobicContact SD-CB 4.17Å |
| 298 | G | 76.4 | Confident | 80.7 | Confident | 22 Ų | 22 | 66 Ų | 66 | 23% | 0.227 | 34% | 0.342 | C | S | . | . | S | Bend | trans | 83.3 | 157.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R300 C301 | G298-R300 PolarHBondContact O-N 3.34Å; G298-C301 PolarHBondContact O-N 2.04Å |
| 299 | D | 76.6 | Confident | 81.1 | Confident | 143 Ų | 143 | 67.1 Ų | 67.1 | 77% | 0.765 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -17.8 | -166.9 | -56.5 | -34 | 0 | 0 | 0 | 115.7 | C290 | C290-D299 WeakPolarHBondContact CB-O 3.45Š|
| 300 | R | 81.4 | Confident | 81.2 | Confident | 112 Ų | 112 | 62 Ų | 62 | 42% | 0.423 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | 11.3 | 175.4 | -52.1 | 172.1 | 47.8 | 128.2 | 7.3 | 112.9 | P276 H278 G298 Q302 | P276-R300 HydrophobicContact CB-CB 4.2Å; P276-R300 HydrophobicContact CB-CG 3.69Å; P276-R300 VanDerWaalsContact CB-CZ 3.47Å; P276-R300 PolarHBondContact O-NE 3.24Å; P276-R300 PolarHBondContact O-NH2 3.22Å; H278-R300 PolarHBondContact N-O 3.45Å; H278-R300 PolarHBondContact NE2-NH2 3.35Å; G298-R300 PolarHBondContact O-N 3.34Å; R300-Q302 VanDerWaalsContact C-N 3.28Å; R300-Q302 VanDerWaalsContact C-OE1 3.29Å; R300-Q302 VanDerWaalsContact CA-OE1 3.24Å; R300-Q302 VanDerWaalsContact CB-OE1 3.26Å; R300-Q302 PolarHBondContact O-N 3.14Å |
| 301 | C | 82.2 | Confident | 80.9 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | S | Bend | trans | 60.2 | 34.8 | -174 | -45.6 | 0 | 0 | 0 | 0 | 113.7 | H279 C292 M297 G298 | H279-C301 PolarHBondContact ND1-O 2.02Å; C292-C301 WeakPolarHBondContact CA-SG 3.05Å; C292-C301 HydrophobicContact CB-CB 3.73Å; C292-C301 WeakPolarHBondContact CB-SG 3.44Å; C292-C301 WeakPolarHBondContact SG-CA 3.27Å; C292-C301 WeakPolarHBondContact SG-CB 3.08Å; C292-C301 CovalentContact SG-SG 2.04Å; C292-C301 PolarHBondContact SG-SG 2.04Å; M297-C301 CarbonylContact O-C 3.46Å; M297-C301 WeakPolarHBondContact O-CA 3.26Å; G298-C301 PolarHBondContact O-N 2.04Å |
| 302 | Q | 84.6 | Confident | 80.6 | Confident | 75 Ų | 75 | 60.1 Ų | 60.1 | 35% | 0.35 | 31% | 0.314 | S | S | . | . | trans | -86 | -18.1 | -176.5 | 72.5 | -76.2 | -7.8 | 0 | 0 | 114.6 | M297 R300 | M297-Q302 PolarHBondContact O-N 3.1Å; R300-Q302 VanDerWaalsContact C-N 3.28Å; R300-Q302 VanDerWaalsContact C-OE1 3.29Å; R300-Q302 VanDerWaalsContact CA-OE1 3.24Å; R300-Q302 VanDerWaalsContact CB-OE1 3.26Å; R300-Q302 PolarHBondContact O-N 3.14Å | ||
| 303 | E | 81.1 | Confident | 80.3 | Confident | 92 Ų | 92 | 65.3 Ų | 65.3 | 43% | 0.43 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 145 | -176.1 | -78.5 | 143.8 | -127.5 | 0 | 0 | 111.3 | Y296 M297 | Y296-E303 CarbonylContact C-O 3.4Å; Y296-E303 VanDerWaalsContact CA-O 3.23Å; Y296-E303 WeakPolarHBondContact CA-O 3.44Å; M297-E303 HydrophobicContact CG-CB 4.08Å; M297-E303 PolarHBondContact N-O 2.94Å; M297-E303 PolarHBondContact O-N 2.99Å; M297-E303 VanDerWaalsContact O-N 3.09Å |
| 304 | E | 80.9 | Confident | 80.3 | Confident | 124 Ų | 124 | 63.4 Ų | 63.4 | 58% | 0.579 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 155.8 | 169.9 | -73.6 | -178.3 | 167.7 | 0 | 0 | 110.9 | G295 Y296 | G295-E304 WeakPolarHBondContact O-CA 3.3Å; Y296-E304 HydrophobicContact CD1-CG 3.78Å; Y296-E304 HydrophobicContact CE1-CG 3.34Å; Y296-E304 PolarHBondContact OH-OE1 2.83Å |
| 305 | C | 83.6 | Confident | 80.3 | Confident | 14 Ų | 14 | 65.7 Ų | 65.7 | 10% | 0.095 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 135.2 | -178.1 | -69.9 | 0 | 0 | 0 | 0 | 113.1 | G295 C314 P328 | G295-C305 VanDerWaalsContact CA-SG 3.52Å; G295-C305 PolarHBondContact O-N 3.02Å; G295-C305 PolarHBondContact O-SG 3.48Å; C305-C314 WeakPolarHBondContact CA-SG 3.48Å; C305-C314 HydrophobicContact CB-CB 3.67Å; C305-C314 WeakPolarHBondContact CB-SG 3.43Å; C305-C314 WeakPolarHBondContact SG-CA 3.38Å; C305-C314 WeakPolarHBondContact SG-CB 3.5Å; C305-C314 CovalentContact SG-SG 2.03Å; C305-C314 PolarHBondContact SG-SG 3.49Å; C305-P328 HydrophobicContact CB-CB 3.82Å |
| 306 | P | 80.8 | Confident | 80.4 | Confident | 71 Ų | 71 | 70.6 Ų | 70.6 | 46% | 0.461 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 148.8 | 179.1 | 26.3 | -33.4 | 0 | 0 | 0 | 112 | M297 G308 T309 | M297-P306 HydrophobicContact SD-CG 4.42Å; P306-G308 PolarHBondContact O-N 2.96Å; P306-T309 WeakPolarHBondContact CD-OG1 3.26Å; P306-T309 WeakPolarHBondContact CG-OG1 3.34Å; P306-T309 PolarHBondContact O-N 3.35Å; P306-T309 PolarHBondContact O-OG1 3.31Å |
| 307 | F | 79.4 | Confident | 80.3 | Confident | 208 Ų | 208 | 78.4 Ų | 78.4 | 91% | 0.912 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.4 | 129.7 | -175.3 | -65.1 | -76.7 | 0 | 0 | 0 | 113.3 | ||
| 308 | G | 77.9 | Confident | 80.4 | Confident | 33 Ų | 33 | 76.4 Ų | 76.4 | 34% | 0.34 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84 | 8.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | P306 C318 | P306-G308 PolarHBondContact O-N 2.96Å; G308-C318 PolarHBondContact O-N 3.32Å |
| 309 | T | 84.6 | Confident | 80.7 | Confident | 33 Ų | 33 | 79 Ų | 79 | 20% | 0.202 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 154.1 | 171.8 | 67.4 | 0 | 0 | 0 | 0 | 112.4 | P306 C314 Q316 | P306-T309 WeakPolarHBondContact CD-OG1 3.26Å; P306-T309 WeakPolarHBondContact CG-OG1 3.34Å; P306-T309 PolarHBondContact O-N 3.35Å; P306-T309 PolarHBondContact O-OG1 3.31Å; T309-C314 WeakPolarHBondContact CB-O 3.42Å; T309-Q316 CarbonylContact C-O 3.55Å; T309-Q316 VanDerWaalsContact CA-O 3.23Å; T309-Q316 WeakPolarHBondContact CA-O 3.18Å |
| 310 | F | 84.9 | Confident | 81 | Confident | 34 Ų | 34 | 73.6 Ų | 73.6 | 15% | 0.149 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 171 | -177.3 | 76.5 | -83.5 | 0 | 0 | 0 | 113.6 | C314 Q316 P328 | F310-C314 CarbonylContact O-C 3.47Å; F310-Q316 HydrophobicContact CD1-CB 3.86Å; F310-Q316 WeakPolarHBondContact CD1-O 3.05Å; F310-Q316 HydrophobicContact CD2-CB 4.35Å; F310-Q316 HydrophobicContact CE1-CB 3.55Å; F310-Q316 HydrophobicContact CE2-CB 4.07Å; F310-Q316 HydrophobicContact CG-CB 4.27Å; F310-Q316 HydrophobicContact CZ-CB 3.66Å; F310-Q316 HydrophobicContact CZ-CG 4.47Å; F310-Q316 VanDerWaalsContact CZ-OE1 3.25Å; F310-Q316 PolarHBondContact N-O 2.84Å; F310-Q316 PolarHBondContact O-N 2.81Å; F310-P328 CarbonylContact C-O 3.47Å; F310-P328 WeakPolarHBondContact CA-O 3.31Å; F310-P328 VanDerWaalsContact CB-O 3.29Å; F310-P328 WeakPolarHBondContact CB-O 3.01Å |
| 311 | G | 77.4 | Confident | 80.9 | Confident | 7 Ų | 7 | 72.2 Ų | 72.2 | 7% | 0.072 | 36% | 0.363 | C | S | . | . | S | Bend | trans | 87 | -160.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114 | A294 G295 Q313 C314 P328 | A294-G311 WeakPolarHBondContact CA-O 3.49Å; G295-G311 PolarHBondContact N-O 3.33Å; G311-Q313 PolarHBondContact O-N 3.02Å; G311-C314 PolarHBondContact O-N 3.21Å; G311-P328 PolarHBondContact N-O 2.85Å |
| 312 | F | 76.4 | Confident | 80.4 | Confident | 73 Ų | 73 | 76.2 Ų | 76.2 | 32% | 0.32 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -67 | 129.6 | 178.1 | 176.9 | -96.9 | 0 | 0 | 0 | 111 | H291 C292 C314 S315 | H291-F312 AromaticContact CD2-CE2 3.75Å; H291-F312 AromaticContact CE1-CE2 3.52Å; H291-F312 AromaticContact CE1-CZ 3.26Å; H291-F312 WeakPolarHBondContact CE1-CZ 3.01Å; H291-F312 AromaticContact ND1-CZ 3.74Å; H291-F312 AromaticContact NE2-CE2 3.32Å; H291-F312 VanDerWaalsContact NE2-CE2 3.32Å; H291-F312 WeakPolarHBondContact NE2-CE2 3.34Å; H291-F312 AromaticContact NE2-CZ 3.59Å; C292-F312 WeakPolarHBondContact O-CD2 3.5Å; C292-F312 WeakPolarHBondContact O-CE2 3.29Å; F312-C314 PolarHBondContact O-N 3Å; F312-S315 WeakPolarHBondContact O-CB 3.01Å; F312-S315 PolarHBondContact O-N 2.9Å; F312-S315 PolarHBondContact O-OG 3.06Å |
| 313 | Q | 74.9 | Confident | 79.7 | Confident | 118 Ų | 118 | 75.3 Ų | 75.3 | 55% | 0.551 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | 49.5 | 25.3 | -174 | -72.2 | 177.2 | -21.1 | 0 | 0 | 113.9 | G311 S315 | G311-Q313 PolarHBondContact O-N 3.02Å; Q313-S315 PolarHBondContact O-N 3.11Å |
| 314 | C | 80.7 | Confident | 79.4 | Confident | 13 Ų | 13 | 71.6 Ų | 71.6 | 9% | 0.088 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | 55.9 | 27.1 | 178.5 | -43.1 | 0 | 0 | 0 | 0 | 113.5 | M297 C305 T309 F310 G311 F312 Q316 | M297-C314 HydrophobicContact SD-CB 4.17Å; C305-C314 WeakPolarHBondContact CA-SG 3.48Å; C305-C314 HydrophobicContact CB-CB 3.67Å; C305-C314 WeakPolarHBondContact CB-SG 3.43Å; C305-C314 WeakPolarHBondContact SG-CA 3.38Å; C305-C314 WeakPolarHBondContact SG-CB 3.5Å; C305-C314 CovalentContact SG-SG 2.03Å; C305-C314 PolarHBondContact SG-SG 3.49Å; T309-C314 WeakPolarHBondContact CB-O 3.42Å; F310-C314 CarbonylContact O-C 3.47Å; G311-C314 PolarHBondContact O-N 3.21Å; F312-C314 PolarHBondContact O-N 3Å; C314-Q316 VanDerWaalsContact C-N 3.31Å; C314-Q316 PolarHBondContact O-N 3.2Å |
| 315 | S | 80.6 | Confident | 79.3 | Confident | 89 Ų | 89 | 71.7 Ų | 71.7 | 62% | 0.622 | 38% | 0.382 | S | S | * | . | trans | -76.1 | -13.3 | -169.7 | 54.2 | 0 | 0 | 0 | 0 | 114.4 | F312 Q313 | F312-S315 WeakPolarHBondContact O-CB 3.01Å; F312-S315 PolarHBondContact O-N 2.9Å; F312-S315 PolarHBondContact O-OG 3.06Å; Q313-S315 PolarHBondContact O-N 3.11Å | ||
| 316 | Q | 79.8 | Confident | 79.4 | Confident | 106 Ų | 106 | 72.3 Ų | 72.3 | 50% | 0.495 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 135.3 | -178.6 | -55.8 | -172.1 | 26.7 | 0 | 0 | 110.6 | T309 F310 C314 | T309-Q316 CarbonylContact C-O 3.55Å; T309-Q316 VanDerWaalsContact CA-O 3.23Å; T309-Q316 WeakPolarHBondContact CA-O 3.18Å; F310-Q316 HydrophobicContact CD1-CB 3.86Å; F310-Q316 WeakPolarHBondContact CD1-O 3.05Å; F310-Q316 HydrophobicContact CD2-CB 4.35Å; F310-Q316 HydrophobicContact CE1-CB 3.55Å; F310-Q316 HydrophobicContact CE2-CB 4.07Å; F310-Q316 HydrophobicContact CG-CB 4.27Å; F310-Q316 HydrophobicContact CZ-CB 3.66Å; F310-Q316 HydrophobicContact CZ-CG 4.47Å; F310-Q316 VanDerWaalsContact CZ-OE1 3.25Å; F310-Q316 PolarHBondContact N-O 2.84Å; F310-Q316 PolarHBondContact O-N 2.81Å; C314-Q316 VanDerWaalsContact C-N 3.31Å; C314-Q316 PolarHBondContact O-N 3.2Å |
| 317 | R | 81.8 | Confident | 79.4 | Confident | 217 Ų | 217 | 70.7 Ų | 70.7 | 82% | 0.819 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 135.5 | 176 | 175.2 | 174.1 | -72.9 | -158.3 | -1.5 | 110.6 | ||
| 318 | C | 81.9 | Confident | 79.3 | Confident | 21 Ų | 21 | 63 Ų | 63 | 14% | 0.142 | 35% | 0.347 | C | S | . | . | trans | -71.1 | 146.4 | 173.1 | -56.9 | 0 | 0 | 0 | 0 | 111.9 | G308 C326 | G308-C318 PolarHBondContact O-N 3.32Å; C318-C326 HydrophobicContact CB-CB 3.5Å; C318-C326 WeakPolarHBondContact CB-SG 3.49Å; C318-C326 WeakPolarHBondContact SG-CB 3.28Å; C318-C326 CovalentContact SG-SG 2.02Å; C318-C326 PolarHBondContact SG-SG 2.87Å | ||
| 319 | D | 82.9 | Confident | 79.2 | Confident | 77 Ų | 77 | 65 Ų | 65 | 41% | 0.412 | 35% | 0.353 | S | S | . | . | trans | -134.8 | 70.4 | -175.5 | -166.9 | -9 | 0 | 0 | 0 | 109.3 | H321 R343 | D319-H321 IonicContact OD1-CE1 3.93Å; D319-R343 WeakPolarHBondContact O-CD 3.49Å; D319-R343 WeakPolarHBondContact O-CG 3.42Å; D319-R343 PolarHBondContact O-NE 2.84Å; D319-R343 IonicContact OD1-CZ 3.15Å; D319-R343 IonicContact OD1-NH1 3.17Å; D319-R343 PolarHBondContact OD1-NH1 3.17Å; D319-R343 VanDerWaalsContact OD1-NH1 3.14Å; D319-R343 IonicContact OD2-CZ 2.96Å; D319-R343 IonicContact OD2-NH1 2.71Å; D319-R343 PolarHBondContact OD2-NH1 3.13Å; D319-R343 IonicContact OD2-NH2 2.78Å; D319-R343 PolarHBondContact OD2-NH2 3.34Å | ||
| 320 | C | 82.5 | Confident | 79 | Confident | 29 Ų | 29 | 67.8 Ų | 67.8 | 20% | 0.196 | 37% | 0.37 | C | S | . | . | trans | -111.3 | 131.6 | -178.6 | -52.8 | 0 | 0 | 0 | 0 | 109.1 | G324 C333 | C320-G324 VanDerWaalsContact CB-O 3.27Å; C320-G324 WeakPolarHBondContact CB-O 3.37Å; C320-C333 VanDerWaalsContact CA-SG 3.51Å; C320-C333 HydrophobicContact CB-CB 3.83Å; C320-C333 WeakPolarHBondContact CB-SG 3.46Å; C320-C333 WeakPolarHBondContact SG-CB 3.34Å; C320-C333 CovalentContact SG-SG 2.03Å; C320-C333 PolarHBondContact SG-SG 3.41Å | ||
| 321 | H | 79.3 | Confident | 78.5 | Confident | 82 Ų | 82 | 66.9 Ų | 66.9 | 38% | 0.38 | 37% | 0.37 | S | S | . | . | trans | -93 | 172.7 | 178.3 | -55.1 | -60.9 | 0 | 0 | 0 | 111.4 | D319 G323 G324 R343 | D319-H321 IonicContact OD1-CE1 3.93Å; H321-G323 PolarHBondContact O-N 3.24Å; H321-G324 PolarHBondContact O-N 2.03Å; H321-G324 VanDerWaalsContact O-N 3.08Å; H321-R343 WeakPolarHBondContact CB-O 3.21Å; H321-R343 PolarHBondContact N-O 3.35Å | ||
| 322 | N | 72.8 | Confident | 78.7 | Confident | 84 Ų | 84 | 69.4 Ų | 69.4 | 45% | 0.449 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 30.6 | 171.6 | -57.4 | -32.8 | 0 | 0 | 0 | 115.4 | Y339 C344 | N322-Y339 HydrophobicContact CB-CD1 4.19Å; N322-Y339 HydrophobicContact CB-CD2 4.28Å; N322-Y339 HydrophobicContact CB-CE1 4.45Å; N322-Y339 HydrophobicContact CB-CG 4.11Å; N322-C344 PolarHBondContact ND2-O 2.04Å |
| 323 | G | 69.7 | Low | 79.1 | Confident | 56 Ų | 56 | 67.2 Ų | 67.2 | 58% | 0.577 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | 4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | H321 Q325 | H321-G323 PolarHBondContact O-N 3.24Å; G323-Q325 PolarHBondContact O-N 3.49Å |
| 324 | G | 75.2 | Confident | 79.4 | Confident | 14 Ų | 14 | 69.1 Ų | 69.1 | 14% | 0.144 | 39% | 0.393 | C | S | . | . | trans | -58.1 | 135.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | C320 H321 E334 | C320-G324 VanDerWaalsContact CB-O 3.27Å; C320-G324 WeakPolarHBondContact CB-O 3.37Å; H321-G324 PolarHBondContact O-N 2.03Å; H321-G324 VanDerWaalsContact O-N 3.08Å; G324-E334 CarbonylContact C-O 3.36Å; G324-E334 WeakPolarHBondContact CA-O 3.27Å | ||
| 325 | Q | 79 | Confident | 79.3 | Confident | 127 Ų | 127 | 70.5 Ų | 70.5 | 59% | 0.593 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 148.9 | 179.7 | -59.5 | -176.3 | 38.1 | 0 | 0 | 109.9 | G323 C333 E334 | G323-Q325 PolarHBondContact O-N 3.49Å; Q325-C333 CarbonylContact O-C 3.53Å; Q325-C333 WeakPolarHBondContact O-CA 3.35Å; Q325-E334 PolarHBondContact N-O 2.89Å; Q325-E334 PolarHBondContact O-N 3.33Å |
| 326 | C | 84.1 | Confident | 78.9 | Confident | 26 Ų | 26 | 70.7 Ų | 70.7 | 18% | 0.176 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 144.4 | -178.8 | 61.8 | 0 | 0 | 0 | 0 | 113.1 | C318 P328 A332 | C318-C326 HydrophobicContact CB-CB 3.5Å; C318-C326 WeakPolarHBondContact CB-SG 3.49Å; C318-C326 WeakPolarHBondContact SG-CB 3.28Å; C318-C326 CovalentContact SG-SG 2.02Å; C318-C326 PolarHBondContact SG-SG 2.87Å; C326-P328 WeakPolarHBondContact O-CD 3.34Å; C326-A332 WeakPolarHBondContact CA-O 3.49Å |
| 327 | S | 82.3 | Confident | 78.3 | Confident | 37 Ų | 37 | 69.8 Ų | 69.8 | 26% | 0.259 | 40% | 0.397 | S | S | . | . | trans | -63.6 | 121.3 | 168.1 | 165.9 | 0 | 0 | 0 | 0 | 110.5 | T329 T330 G331 A332 | S327-T329 PolarHBondContact O-N 3.41Å; S327-T330 WeakPolarHBondContact CB-OG1 3.32Å; S327-T330 PolarHBondContact O-N 2.79Å; S327-T330 PolarHBondContact OG-N 3.27Å; S327-T330 PolarHBondContact OG-OG1 2.83Å; S327-G331 WeakPolarHBondContact O-CA 3.37Å; S327-G331 PolarHBondContact O-N 3.49Å; S327-A332 PolarHBondContact N-O 2.03Å | ||
| 328 | P | 76.4 | Confident | 77.6 | Confident | 46 Ų | 46 | 59.9 Ų | 59.9 | 30% | 0.299 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -23.6 | 179.3 | 24.9 | -33.7 | 0 | 0 | 0 | 112.9 | G295 C305 F310 G311 C326 | G295-P328 WeakPolarHBondContact CA-O 3.23Å; C305-P328 HydrophobicContact CB-CB 3.82Å; F310-P328 CarbonylContact C-O 3.47Å; F310-P328 WeakPolarHBondContact CA-O 3.31Å; F310-P328 VanDerWaalsContact CB-O 3.29Å; F310-P328 WeakPolarHBondContact CB-O 3.01Å; G311-P328 PolarHBondContact N-O 2.85Å; C326-P328 WeakPolarHBondContact O-CD 3.34Å |
| 329 | T | 76.1 | Confident | 77.3 | Confident | 76 Ų | 76 | 61.1 Ų | 61.1 | 47% | 0.466 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -32.5 | 178.4 | -5.5 | 0 | 0 | 0 | 0 | 113.1 | A294 S327 | A294-T329 WeakPolarHBondContact O-CG2 3.48Å; S327-T329 PolarHBondContact O-N 3.41Å |
| 330 | T | 79.8 | Confident | 76.9 | Confident | 91 Ų | 91 | 62 Ų | 62 | 56% | 0.558 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.7 | -14.4 | -166.1 | 64.4 | 0 | 0 | 0 | 0 | 116 | S327 A332 | S327-T330 WeakPolarHBondContact CB-OG1 3.32Å; S327-T330 PolarHBondContact O-N 2.79Å; S327-T330 PolarHBondContact OG-N 3.27Å; S327-T330 PolarHBondContact OG-OG1 2.83Å; T330-A332 PolarHBondContact O-N 2.77Å; T330-A332 PolarHBondContact OG1-N 2.97Å |
| 331 | G | 76 | Confident | 76.6 | Confident | 15 Ų | 15 | 61.9 Ų | 61.9 | 16% | 0.155 | 37% | 0.367 | C | S | . | . | trans | 74.2 | -2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | S327 C333 | S327-G331 WeakPolarHBondContact O-CA 3.37Å; S327-G331 PolarHBondContact O-N 3.49Å; G331-C333 PolarHBondContact O-N 2.91Å | ||
| 332 | A | 81.5 | Confident | 76.3 | Confident | 60 Ų | 60 | 63.2 Ų | 63.2 | 50% | 0.496 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 133.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | C326 S327 T330 | C326-A332 WeakPolarHBondContact CA-O 3.49Å; S327-A332 PolarHBondContact N-O 2.03Å; T330-A332 PolarHBondContact O-N 2.77Å; T330-A332 PolarHBondContact OG1-N 2.97Å |
| 333 | C | 83.4 | Confident | 76.6 | Confident | 27 Ų | 27 | 64.2 Ų | 64.2 | 18% | 0.182 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 122.3 | -179.8 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | C320 Q325 G331 | C320-C333 VanDerWaalsContact CA-SG 3.51Å; C320-C333 HydrophobicContact CB-CB 3.83Å; C320-C333 WeakPolarHBondContact CB-SG 3.46Å; C320-C333 WeakPolarHBondContact SG-CB 3.34Å; C320-C333 CovalentContact SG-SG 2.03Å; C320-C333 PolarHBondContact SG-SG 3.41Å; Q325-C333 CarbonylContact O-C 3.53Å; Q325-C333 WeakPolarHBondContact O-CA 3.35Å; G331-C333 PolarHBondContact O-N 2.91Å |
| 334 | E | 81.6 | Confident | 77 | Confident | 159 Ų | 159 | 61.6 Ų | 61.6 | 74% | 0.743 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 129.1 | 161.8 | -175.7 | 165 | -159 | 0 | 0 | 108.9 | G324 Q325 | G324-E334 CarbonylContact C-O 3.36Å; G324-E334 WeakPolarHBondContact CA-O 3.27Å; Q325-E334 PolarHBondContact N-O 2.89Å; Q325-E334 PolarHBondContact O-N 3.33Å |
| 335 | C | 79.4 | Confident | 77.1 | Confident | 42 Ų | 42 | 65.1 Ų | 65.1 | 28% | 0.284 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -96.7 | 135.7 | -167.1 | -58.2 | 0 | 0 | 0 | 0 | 113.2 | C344 | C335-C344 WeakPolarHBondContact CA-SG 3.36Å; C335-C344 HydrophobicContact CB-CB 3.67Å; C335-C344 WeakPolarHBondContact CB-SG 3.48Å; C335-C344 WeakPolarHBondContact SG-CA 3Å; C335-C344 WeakPolarHBondContact SG-CB 3Å; C335-C344 CovalentContact SG-SG 2.04Å; C335-C344 PolarHBondContact SG-SG 3.35Å |
| 336 | E | 72.4 | Confident | 77 | Confident | 93 Ų | 93 | 63 Ų | 63 | 44% | 0.435 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -50 | 139.2 | 165.3 | -88.5 | -70.8 | 139.8 | 0 | 0 | 110.7 | G338 Y339 | E336-G338 PolarHBondContact O-N 3.41Å; E336-Y339 HydrophobicContact CB-CD2 4.5Å; E336-Y339 PolarHBondContact O-N 3.1Å |
| 337 | P | 67.1 | Low | 76.4 | Confident | 87 Ų | 87 | 65.1 Ų | 65.1 | 57% | 0.565 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 136.7 | -178.5 | -28.8 | 36.2 | 0 | 0 | 0 | 112.7 | V375 | P337-V375 HydrophobicContact CB-CG2 4.4Å; P337-V375 WeakPolarHBondContact O-CG2 3.21Å |
| 338 | G | 65.9 | Low | 75.9 | Confident | 8 Ų | 8 | 68 Ų | 68 | 8% | 0.082 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | -0.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | E336 L348 | E336-G338 PolarHBondContact O-N 3.41Å; G338-L348 VanDerWaalsContact C-CB 3.47Å; G338-L348 WeakPolarHBondContact O-CB 3.45Å; G338-L348 PolarHBondContact O-N 2.8Å |
| 339 | Y | 75.9 | Confident | 75.5 | Confident | 47 Ų | 47 | 66.4 Ų | 66.4 | 18% | 0.184 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 156.9 | 172.3 | -58.9 | -82.3 | 0 | 0 | 0 | 112 | N322 E336 E346 H373 P374 | N322-Y339 HydrophobicContact CB-CD1 4.19Å; N322-Y339 HydrophobicContact CB-CD2 4.28Å; N322-Y339 HydrophobicContact CB-CE1 4.45Å; N322-Y339 HydrophobicContact CB-CG 4.11Å; E336-Y339 HydrophobicContact CB-CD2 4.5Å; E336-Y339 PolarHBondContact O-N 3.1Å; Y339-E346 CarbonylContact C-O 3.56Å; Y339-E346 VanDerWaalsContact CA-O 3.24Å; Y339-E346 WeakPolarHBondContact CA-O 3.46Å; Y339-H373 AromaticContact CE2-NE2 3.92Å; Y339-H373 AromaticContact CZ-NE2 3.87Å; Y339-H373 PolarHBondContact OH-CD2 3.02Å; Y339-H373 PolarHBondContact OH-NE2 3.27Å; Y339-P374 HydrophobicContact CE1-CG 4.3Å; Y339-P374 HydrophobicContact CE2-CG 4.27Å |
| 340 | K | 75.2 | Confident | 75.3 | Confident | 97 Ų | 97 | 66.5 Ų | 66.5 | 42% | 0.422 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | -179 | -178.2 | 73.5 | -176.4 | -170.4 | -177.3 | 0 | 111.6 | C344 Q345 E346 L348 | K340-C344 CarbonylContact O-C 3.31Å; K340-C344 VanDerWaalsContact O-C 3.25Å; K340-C344 VanDerWaalsContact O-CA 3.31Å; K340-C344 WeakPolarHBondContact O-CA 3.2Å; K340-Q345 PolarHBondContact O-N 3.5Å; K340-E346 HydrophobicContact CD-CB 4.49Å; K340-E346 WeakPolarHBondContact CE-OE2 3.41Å; K340-E346 HydrophobicContact CG-CB 3.64Å; K340-E346 PolarHBondContact N-O 2.92Å; K340-E346 IonicContact NZ-OE2 3.16Å; K340-E346 WeakPolarHBondContact O-CB 3.42Å; K340-E346 PolarHBondContact O-N 3.38Å; K340-L348 HydrophobicContact CD-CD1 4.04Å |
| 341 | G | 75.4 | Confident | 74.8 | Confident | 26 Ų | 26 | 68.4 Ų | 68.4 | 27% | 0.268 | 37% | 0.367 | S | S | . | . | S | Bend | trans | 90.9 | 161.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112 | R343 C344 | G341-R343 PolarHBondContact O-N 3.23Å; G341-C344 PolarHBondContact O-N 3.22Å |
| 342 | P | 72.5 | Confident | 74.5 | Confident | 109 Ų | 109 | 69.7 Ų | 69.7 | 71% | 0.708 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -13.2 | -169.4 | 24.9 | -36.3 | 0 | 0 | 0 | 115.3 | ||
| 343 | R | 79.3 | Confident | 74.4 | Confident | 106 Ų | 106 | 69.6 Ų | 69.6 | 40% | 0.4 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.9 | 21.9 | 172 | -63.7 | -179.6 | 161.3 | -148.1 | -9.7 | 112.4 | D319 H321 G341 Q345 | D319-R343 WeakPolarHBondContact O-CD 3.49Å; D319-R343 WeakPolarHBondContact O-CG 3.42Å; D319-R343 PolarHBondContact O-NE 2.84Å; D319-R343 IonicContact OD1-CZ 3.15Å; D319-R343 IonicContact OD1-NH1 3.17Å; D319-R343 PolarHBondContact OD1-NH1 3.17Å; D319-R343 VanDerWaalsContact OD1-NH1 3.14Å; D319-R343 IonicContact OD2-CZ 2.96Å; D319-R343 IonicContact OD2-NH1 2.71Å; D319-R343 PolarHBondContact OD2-NH1 3.13Å; D319-R343 IonicContact OD2-NH2 2.78Å; D319-R343 PolarHBondContact OD2-NH2 3.34Å; H321-R343 WeakPolarHBondContact CB-O 3.21Å; H321-R343 PolarHBondContact N-O 3.35Å; G341-R343 PolarHBondContact O-N 3.23Å; R343-Q345 PolarHBondContact O-N 2.76Å |
| 344 | C | 78.5 | Confident | 74.1 | Confident | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.007 | 37% | 0.367 | C | S | . | . | S | Bend | trans | 60.5 | 25.8 | 179.4 | -47.5 | 0 | 0 | 0 | 0 | 114.7 | N322 C335 K340 G341 | N322-C344 PolarHBondContact ND2-O 2.04Å; C335-C344 WeakPolarHBondContact CA-SG 3.36Å; C335-C344 HydrophobicContact CB-CB 3.67Å; C335-C344 WeakPolarHBondContact CB-SG 3.48Å; C335-C344 WeakPolarHBondContact SG-CA 3Å; C335-C344 WeakPolarHBondContact SG-CB 3Å; C335-C344 CovalentContact SG-SG 2.04Å; C335-C344 PolarHBondContact SG-SG 3.35Å; K340-C344 CarbonylContact O-C 3.31Å; K340-C344 VanDerWaalsContact O-C 3.25Å; K340-C344 VanDerWaalsContact O-CA 3.31Å; K340-C344 WeakPolarHBondContact O-CA 3.2Å; G341-C344 PolarHBondContact O-N 3.22Å |
| 345 | Q | 77.9 | Confident | 73.5 | Confident | 87 Ų | 87 | 62 Ų | 62 | 41% | 0.407 | 33% | 0.334 | S | S | . | . | trans | -84.2 | -11.1 | -172 | 77.1 | -72.4 | -6.8 | 0 | 0 | 115.1 | K340 R343 | K340-Q345 PolarHBondContact O-N 3.5Å; R343-Q345 PolarHBondContact O-N 2.76Å | ||
| 346 | E | 76.6 | Confident | 72.9 | Confident | 82 Ų | 82 | 65.3 Ų | 65.3 | 38% | 0.383 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 134.2 | -175.4 | -64.1 | 168.9 | -133 | 0 | 0 | 112 | Y339 K340 | Y339-E346 CarbonylContact C-O 3.56Å; Y339-E346 VanDerWaalsContact CA-O 3.24Å; Y339-E346 WeakPolarHBondContact CA-O 3.46Å; K340-E346 HydrophobicContact CD-CB 4.49Å; K340-E346 WeakPolarHBondContact CE-OE2 3.41Å; K340-E346 HydrophobicContact CG-CB 3.64Å; K340-E346 PolarHBondContact N-O 2.92Å; K340-E346 IonicContact NZ-OE2 3.16Å; K340-E346 WeakPolarHBondContact O-CB 3.42Å; K340-E346 PolarHBondContact O-N 3.38Å |
| 347 | R | 71.3 | Confident | 72.7 | Confident | 71 Ų | 71 | 64.3 Ų | 64.3 | 27% | 0.268 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 138.3 | 174.2 | -163.1 | 176.9 | -173.2 | -91.8 | 7.4 | 110.6 | C349 P350 C372 P374 | R347-C349 PolarHBondContact NH1-O 3.38Å; R347-P350 PolarHBondContact NH1-O 3.49Å; R347-C372 PolarHBondContact NH2-O 2.97Å; R347-P374 HydrophobicContact CG-CB 3.95Å; R347-P374 HydrophobicContact CG-CG 3.97Å |
| 348 | L | 72 | Confident | 72.9 | Confident | 99 Ų | 99 | 61.2 Ų | 61.2 | 52% | 0.518 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -84.4 | -32.1 | -179 | -171.9 | 63.4 | 0 | 0 | 0 | 113.3 | G338 K340 | G338-L348 VanDerWaalsContact C-CB 3.47Å; G338-L348 WeakPolarHBondContact O-CB 3.45Å; G338-L348 PolarHBondContact O-N 2.8Å; K340-L348 HydrophobicContact CD-CD1 4.04Å |
| 349 | C | 68.6 | Low | 73.2 | Confident | 12 Ų | 12 | 65.7 Ų | 65.7 | 8% | 0.081 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -100.2 | 157 | -178 | -65.9 | 0 | 0 | 0 | 0 | 113.9 | R347 C358 P374 | R347-C349 PolarHBondContact NH1-O 3.38Å; C349-C358 WeakPolarHBondContact CA-SG 3.31Å; C349-C358 HydrophobicContact CB-CB 3.66Å; C349-C358 WeakPolarHBondContact CB-SG 3.37Å; C349-C358 VanDerWaalsContact SG-CA 3.59Å; C349-C358 WeakPolarHBondContact SG-CB 3.45Å; C349-C358 CovalentContact SG-SG 2.04Å; C349-C358 PolarHBondContact SG-SG 2.86Å; C349-P374 HydrophobicContact CB-CB 4.05Å; C349-P374 PolarHBondContact SG-O 2.03Å |
| 350 | P | 71.8 | Confident | 73 | Confident | 78 Ų | 78 | 67.3 Ų | 67.3 | 51% | 0.506 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 168.3 | 167.2 | -15.1 | 31.5 | 0 | 0 | 0 | 113.5 | R347 | R347-P350 PolarHBondContact NH1-O 3.49Š|
| 351 | E | 67.9 | Low | 73 | Confident | 130 Ų | 130 | 67.4 Ų | 67.4 | 61% | 0.607 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 148 | 170.8 | -70.3 | -56.6 | 124.7 | 0 | 0 | 112.8 | L353 | E351-L353 PolarHBondContact O-N 3.11Š|
| 352 | G | 70.3 | Confident | 73.1 | Confident | 42 Ų | 42 | 67.2 Ų | 67.2 | 43% | 0.433 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | -8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | C362 | G352-C362 PolarHBondContact O-N 2.76Å; G352-C362 PolarHBondContact O-SG 3.36Å |
| 353 | L | 78.9 | Confident | 73.1 | Confident | 59 Ų | 59 | 65.3 Ų | 65.3 | 31% | 0.309 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 146.7 | -177 | -69.6 | 166.2 | 0 | 0 | 0 | 112.2 | E351 C358 L360 | E351-L353 PolarHBondContact O-N 3.11Å; L353-C358 HydrophobicContact CB-CB 4.5Å; L353-L360 WeakPolarHBondContact CA-O 2.99Å |
| 354 | H | 77.5 | Confident | 73 | Confident | 21 Ų | 21 | 61.2 Ų | 61.2 | 10% | 0.097 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 179.1 | 175.7 | 81 | 106.7 | 0 | 0 | 0 | 113.3 | T359 L360 H373 P374 V375 G377 | H354-T359 PolarHBondContact O-N 3.44Å; H354-L360 PolarHBondContact CD2-O 3.19Å; H354-L360 VanDerWaalsContact CD2-O 3.29Å; H354-L360 PolarHBondContact N-O 3.29Å; H354-L360 WeakPolarHBondContact O-CB 3.17Å; H354-L360 PolarHBondContact O-N 3.03Å; H354-L360 VanDerWaalsContact O-N 3.1Å; H354-H373 WeakPolarHBondContact CB-O 3Å; H354-P374 CarbonylContact C-O 3.51Å; H354-P374 WeakPolarHBondContact CA-O 3.46Å; H354-P374 WeakPolarHBondContact CB-O 3.15Å; H354-V375 PolarHBondContact ND1-O 2.97Å; H354-G377 PolarHBondContact ND1-N 3.37Å |
| 355 | G | 69.6 | Low | 72.9 | Confident | 5 Ų | 5 | 64 Ų | 64 | 5% | 0.052 | 38% | 0.382 | C | S | . | . | S | Bend | trans | 83.3 | -178.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | G357 C358 P374 V375 | G355-G357 PolarHBondContact O-N 3.36Å; G355-C358 PolarHBondContact O-N 3.27Å; G355-P374 PolarHBondContact N-O 2.63Å; G355-V375 PolarHBondContact N-O 3.43Å |
| 356 | P | 65.6 | Low | 72.3 | Confident | 112 Ų | 112 | 64.1 Ų | 64.1 | 73% | 0.727 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -61.7 | 125.3 | -177.1 | 25.5 | -33.7 | 0 | 0 | 0 | 111.1 | C358 T359 | P356-C358 PolarHBondContact O-N 2.83Å; P356-T359 PolarHBondContact O-OG1 2.81Å |
| 357 | G | 67.9 | Low | 72.1 | Confident | 71 Ų | 71 | 66.6 Ų | 66.6 | 73% | 0.732 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | 69.4 | 9.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | G355 T359 | G355-G357 PolarHBondContact O-N 3.36Å; G357-T359 VanDerWaalsContact C-N 3.3Å; G357-T359 PolarHBondContact O-N 3.15Å |
| 358 | C | 72.6 | Confident | 72.2 | Confident | 22 Ų | 22 | 65 Ų | 65 | 15% | 0.149 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | 58.9 | 38.5 | 177.4 | -44.1 | 0 | 0 | 0 | 0 | 113.4 | C349 L353 G355 P356 | C349-C358 WeakPolarHBondContact CA-SG 3.31Å; C349-C358 HydrophobicContact CB-CB 3.66Å; C349-C358 WeakPolarHBondContact CB-SG 3.37Å; C349-C358 VanDerWaalsContact SG-CA 3.59Å; C349-C358 WeakPolarHBondContact SG-CB 3.45Å; C349-C358 CovalentContact SG-SG 2.04Å; C349-C358 PolarHBondContact SG-SG 2.86Å; L353-C358 HydrophobicContact CB-CB 4.5Å; G355-C358 PolarHBondContact O-N 3.27Å; P356-C358 PolarHBondContact O-N 2.83Å |
| 359 | T | 72.4 | Confident | 72.3 | Confident | 103 Ų | 103 | 61.3 Ų | 61.3 | 63% | 0.632 | 39% | 0.392 | S | S | * | . | trans | -101.4 | -9.8 | -173.2 | 52.8 | 0 | 0 | 0 | 0 | 114.3 | H354 P356 G357 | H354-T359 PolarHBondContact O-N 3.44Å; P356-T359 PolarHBondContact O-OG1 2.81Å; G357-T359 VanDerWaalsContact C-N 3.3Å; G357-T359 PolarHBondContact O-N 3.15Å | ||
| 360 | L | 71.5 | Confident | 72.5 | Confident | 81 Ų | 81 | 65.1 Ų | 65.1 | 42% | 0.424 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 127.5 | -179.6 | -57.7 | 177.4 | 0 | 0 | 0 | 110.2 | L353 H354 | L353-L360 WeakPolarHBondContact CA-O 2.99Å; H354-L360 PolarHBondContact CD2-O 3.19Å; H354-L360 VanDerWaalsContact CD2-O 3.29Å; H354-L360 PolarHBondContact N-O 3.29Å; H354-L360 WeakPolarHBondContact O-CB 3.17Å; H354-L360 PolarHBondContact O-N 3.03Å; H354-L360 VanDerWaalsContact O-N 3.1Å |
| 361 | P | 75.7 | Confident | 72.3 | Confident | 98 Ų | 98 | 63.9 Ų | 63.9 | 64% | 0.636 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 142.1 | 170.4 | 31.1 | -34 | 0 | 0 | 0 | 110.1 | ||
| 362 | C | 76.6 | Confident | 72.6 | Confident | 23 Ų | 23 | 58.2 Ų | 58.2 | 16% | 0.155 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 134.3 | -176.6 | -71.9 | 0 | 0 | 0 | 0 | 112.8 | G352 C364 C372 | G352-C362 PolarHBondContact O-N 2.76Å; G352-C362 PolarHBondContact O-SG 3.36Å; C362-C364 PolarHBondContact O-N 3.39Å; C362-C372 HydrophobicContact CB-CB 3.51Å; C362-C372 WeakPolarHBondContact CB-SG 3.18Å; C362-C372 WeakPolarHBondContact SG-CB 3.49Å; C362-C372 CovalentContact SG-SG 2.03Å; C362-C372 PolarHBondContact SG-SG 3.43Å |
| 363 | P | 73.2 | Confident | 72.7 | Confident | 69 Ų | 69 | 59.4 Ų | 59.4 | 45% | 0.448 | 37% | 0.372 | S | S | . | . | trans | -80.6 | 43.3 | -174.5 | 36.6 | -40.6 | 0 | 0 | 0 | 112.6 | G377 H389 | P363-G377 WeakPolarHBondContact CD-O 3.42Å; P363-H389 PolarHBondContact O-ND1 2.02Å | ||
| 364 | C | 75.9 | Confident | 72.1 | Confident | 20 Ų | 20 | 56.7 Ų | 56.7 | 14% | 0.135 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -112.8 | 151.1 | -172.8 | -50.1 | 0 | 0 | 0 | 0 | 109.9 | C362 A366 T369 C379 | C362-C364 PolarHBondContact O-N 3.39Å; C364-A366 PolarHBondContact O-N 2.88Å; C364-A366 VanDerWaalsContact O-N 3.07Å; C364-T369 HydrophobicContact CB-CG2 3.62Å; C364-T369 VanDerWaalsContact CB-OG1 3.29Å; C364-T369 WeakPolarHBondContact CB-OG1 3.05Å; C364-C379 WeakPolarHBondContact CA-SG 3.48Å; C364-C379 HydrophobicContact CB-CB 3.71Å; C364-C379 WeakPolarHBondContact CB-SG 3.24Å; C364-C379 VanDerWaalsContact SG-CA 3.59Å; C364-C379 WeakPolarHBondContact SG-CB 3.12Å; C364-C379 CovalentContact SG-SG 2.03Å; C364-C379 PolarHBondContact SG-SG 2.81Å |
| 365 | D | 76.6 | Confident | 71.6 | Confident | 59 Ų | 59 | 58.1 Ų | 58.1 | 32% | 0.316 | 37% | 0.368 | S | S | . | . | trans | -64.8 | 111.6 | 173.1 | -172.1 | -82.6 | 0 | 0 | 0 | 110 | D367 N368 T369 H389 | D365-D367 VanDerWaalsContact C-N 3.25Å; D365-D367 PolarHBondContact O-N 3Å; D365-D367 PolarHBondContact OD1-N 2.03Å; D365-N368 HydrophobicContact CB-CB 4.38Å; D365-N368 CarbonylContact O-C 3.55Å; D365-N368 PolarHBondContact O-N 3.42Å; D365-N368 VanDerWaalsContact O-N 3.15Å; D365-N368 PolarHBondContact OD1-N 2.03Å; D365-N368 VanDerWaalsContact OD1-N 3.08Å; D365-N368 PolarHBondContact OD1-ND2 2.04Å; D365-T369 PolarHBondContact N-OG1 3.43Å; D365-T369 WeakPolarHBondContact O-CB 3.01Å; D365-T369 PolarHBondContact O-N 3.45Å; D365-T369 PolarHBondContact O-OG1 2.9Å; D365-H389 WeakPolarHBondContact CB-O 3.1Å; D365-H389 PolarHBondContact N-O 3.47Å; D365-H389 VanDerWaalsContact N-O 3.08Å | ||
| 366 | A | 66.8 | Low | 71.7 | Confident | 89 Ų | 89 | 62.4 Ų | 62.4 | 74% | 0.736 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -27.6 | -167.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | C364 | C364-A366 PolarHBondContact O-N 2.88Å; C364-A366 VanDerWaalsContact O-N 3.07Å |
| 367 | D | 71.6 | Confident | 71.8 | Confident | 135 Ų | 135 | 57.1 Ų | 57.1 | 72% | 0.722 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -21.7 | 179.2 | -66.9 | -38.8 | 0 | 0 | 0 | 111.9 | D365 Q382 | D365-D367 VanDerWaalsContact C-N 3.25Å; D365-D367 PolarHBondContact O-N 3Å; D365-D367 PolarHBondContact OD1-N 2.03Å; D367-Q382 VanDerWaalsContact O-CD 3.32Å; D367-Q382 PolarHBondContact O-NE2 3.39Å; D367-Q382 PolarHBondContact O-OE1 3.27Å |
| 368 | N | 73.6 | Confident | 72.1 | Confident | 38 Ų | 38 | 56.5 Ų | 56.5 | 20% | 0.203 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | 16.2 | -175.9 | -59.3 | -83.4 | 0 | 0 | 0 | 114.3 | D365 Q382 W385 C390 | D365-N368 HydrophobicContact CB-CB 4.38Å; D365-N368 CarbonylContact O-C 3.55Å; D365-N368 PolarHBondContact O-N 3.42Å; D365-N368 VanDerWaalsContact O-N 3.15Å; D365-N368 PolarHBondContact OD1-N 2.03Å; D365-N368 VanDerWaalsContact OD1-N 3.08Å; D365-N368 PolarHBondContact OD1-ND2 2.04Å; N368-Q382 WeakPolarHBondContact O-CB 3.14Å; N368-Q382 PolarHBondContact O-N 3.36Å; N368-W385 HydrophobicContact CB-CG 4.4Å; N368-W385 PolarHBondContact OD1-NE1 3.21Å; N368-W385 VanDerWaalsContact OD1-NE1 3.12Å; N368-C390 HydrophobicContact CB-CB 4.42Å; N368-C390 WeakPolarHBondContact O-CB 3Å |
| 369 | T | 74.1 | Confident | 72.4 | Confident | 21 Ų | 21 | 56.9 Ų | 56.9 | 13% | 0.129 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 149.2 | 178.4 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | C364 D365 S371 C379 A380 Q382 | C364-T369 HydrophobicContact CB-CG2 3.62Å; C364-T369 VanDerWaalsContact CB-OG1 3.29Å; C364-T369 WeakPolarHBondContact CB-OG1 3.05Å; D365-T369 PolarHBondContact N-OG1 3.43Å; D365-T369 WeakPolarHBondContact O-CB 3.01Å; D365-T369 PolarHBondContact O-N 3.45Å; D365-T369 PolarHBondContact O-OG1 2.9Å; T369-S371 WeakPolarHBondContact CG2-O 3.46Å; T369-C379 HydrophobicContact CG2-CB 4.36Å; T369-A380 CarbonylContact C-O 3.55Å; T369-A380 WeakPolarHBondContact CA-O 3.24Å; T369-A380 VanDerWaalsContact CG2-O 3.29Å; T369-A380 WeakPolarHBondContact CG2-O 3.47Å; T369-Q382 PolarHBondContact O-NE2 2.85Å |
| 370 | I | 71.8 | Confident | 72.5 | Confident | 91 Ų | 91 | 53.9 Ų | 53.9 | 47% | 0.467 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -50.4 | 176.4 | -59.5 | 174.9 | 0 | 0 | 0 | 111 | A380 C381 Q382 D401 | I370-A380 PolarHBondContact N-O 3.16Å; I370-C381 WeakPolarHBondContact CD1-O 3.18Å; I370-Q382 HydrophobicContact CG1-CG 3.81Å; I370-D401 WeakPolarHBondContact CD1-OD1 3.02Å; I370-D401 WeakPolarHBondContact CD1-OD2 3.27Å |
| 371 | S | 68.4 | Low | 72.8 | Confident | 52 Ų | 52 | 50.9 Ų | 50.9 | 36% | 0.364 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 173.8 | -179.2 | 69.1 | 0 | 0 | 0 | 0 | 111.6 | T369 A380 | T369-S371 WeakPolarHBondContact CG2-O 3.46Å; S371-A380 PolarHBondContact O-N 3.08Å |
| 372 | C | 75.2 | Confident | 72.5 | Confident | 11 Ų | 11 | 49.3 Ų | 49.3 | 7% | 0.074 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 156.6 | -179.1 | 58.4 | 0 | 0 | 0 | 0 | 113.9 | R347 C362 A378 | R347-C372 PolarHBondContact NH2-O 2.97Å; C362-C372 HydrophobicContact CB-CB 3.51Å; C362-C372 WeakPolarHBondContact CB-SG 3.18Å; C362-C372 WeakPolarHBondContact SG-CB 3.49Å; C362-C372 CovalentContact SG-SG 2.03Å; C362-C372 PolarHBondContact SG-SG 3.43Å; C372-A378 CarbonylContact C-O 3.49Å; C372-A378 WeakPolarHBondContact CA-O 3.39Å |
| 373 | H | 72.2 | Confident | 72.2 | Confident | 67 Ų | 67 | 51.7 Ų | 51.7 | 31% | 0.31 | 32% | 0.32 | S | S | . | . | trans | -77.3 | 129.6 | -176.4 | -170.3 | -105.2 | 0 | 0 | 0 | 112.6 | Y339 H354 V375 T376 G377 A378 | Y339-H373 AromaticContact CE2-NE2 3.92Å; Y339-H373 AromaticContact CZ-NE2 3.87Å; Y339-H373 PolarHBondContact OH-CD2 3.02Å; Y339-H373 PolarHBondContact OH-NE2 3.27Å; H354-H373 WeakPolarHBondContact CB-O 3Å; H373-V375 VanDerWaalsContact C-N 3.25Å; H373-V375 PolarHBondContact O-N 2.93Å; H373-T376 PolarHBondContact ND1-OG1 3.47Å; H373-G377 WeakPolarHBondContact O-CA 3.45Å; H373-G377 PolarHBondContact O-N 3.13Å; H373-A378 HydrophobicContact CB-CB 4.22Å; H373-A378 PolarHBondContact N-O 2.92Å | ||
| 374 | P | 65.7 | Low | 72 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.013 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -14.9 | -165.1 | 24.5 | -37.6 | 0 | 0 | 0 | 116.7 | Y339 R347 C349 H354 G355 | Y339-P374 HydrophobicContact CE1-CG 4.3Å; Y339-P374 HydrophobicContact CE2-CG 4.27Å; R347-P374 HydrophobicContact CG-CB 3.95Å; R347-P374 HydrophobicContact CG-CG 3.97Å; C349-P374 HydrophobicContact CB-CB 4.05Å; C349-P374 PolarHBondContact SG-O 2.03Å; H354-P374 CarbonylContact C-O 3.51Å; H354-P374 WeakPolarHBondContact CA-O 3.46Å; H354-P374 WeakPolarHBondContact CB-O 3.15Å; G355-P374 PolarHBondContact N-O 2.63Å |
| 375 | V | 67.3 | Low | 72.1 | Confident | 52 Ų | 52 | 52.1 Ų | 52.1 | 32% | 0.315 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | -49.1 | 176 | 179.2 | 0 | 0 | 0 | 0 | 111.6 | P337 H354 G355 H373 | P337-V375 HydrophobicContact CB-CG2 4.4Å; P337-V375 WeakPolarHBondContact O-CG2 3.21Å; H354-V375 PolarHBondContact ND1-O 2.97Å; G355-V375 PolarHBondContact N-O 3.43Å; H373-V375 VanDerWaalsContact C-N 3.25Å; H373-V375 PolarHBondContact O-N 2.93Å |
| 376 | T | 70.3 | Confident | 71.7 | Confident | 95 Ų | 95 | 50.7 Ų | 50.7 | 58% | 0.583 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -13.8 | -170.6 | 58.3 | 0 | 0 | 0 | 0 | 114.5 | H373 A378 | H373-T376 PolarHBondContact ND1-OG1 3.47Å; T376-A378 PolarHBondContact O-N 3.4Å |
| 377 | G | 69.4 | Low | 71.9 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | trans | 70.9 | 12.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | H354 P363 H373 | H354-G377 PolarHBondContact ND1-N 3.37Å; P363-G377 WeakPolarHBondContact CD-O 3.42Å; H373-G377 WeakPolarHBondContact O-CA 3.45Å; H373-G377 PolarHBondContact O-N 3.13Å | ||
| 378 | A | 73.6 | Confident | 71.8 | Confident | 58 Ų | 58 | 51.3 Ų | 51.3 | 48% | 0.479 | 29% | 0.288 | S | S | . | . | trans | -63.8 | 144.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | C372 H373 T376 | C372-A378 CarbonylContact C-O 3.49Å; C372-A378 WeakPolarHBondContact CA-O 3.39Å; H373-A378 HydrophobicContact CB-CB 4.22Å; H373-A378 PolarHBondContact N-O 2.92Å; T376-A378 PolarHBondContact O-N 3.4Å | ||
| 379 | C | 77.9 | Confident | 71.9 | Confident | 30 Ų | 30 | 54 Ų | 54 | 20% | 0.203 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 149.3 | -163.6 | -48.2 | 0 | 0 | 0 | 0 | 113.4 | C364 T369 | C364-C379 WeakPolarHBondContact CA-SG 3.48Å; C364-C379 HydrophobicContact CB-CB 3.71Å; C364-C379 WeakPolarHBondContact CB-SG 3.24Å; C364-C379 VanDerWaalsContact SG-CA 3.59Å; C364-C379 WeakPolarHBondContact SG-CB 3.12Å; C364-C379 CovalentContact SG-SG 2.03Å; C364-C379 PolarHBondContact SG-SG 2.81Å; T369-C379 HydrophobicContact CG2-CB 4.36Å |
| 380 | A | 75.4 | Confident | 71.9 | Confident | 40 Ų | 40 | 53 Ų | 53 | 33% | 0.331 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 132.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | T369 I370 S371 | T369-A380 CarbonylContact C-O 3.55Å; T369-A380 WeakPolarHBondContact CA-O 3.24Å; T369-A380 VanDerWaalsContact CG2-O 3.29Å; T369-A380 WeakPolarHBondContact CG2-O 3.47Å; I370-A380 PolarHBondContact N-O 3.16Å; S371-A380 PolarHBondContact O-N 3.08Å |
| 381 | C | 77.1 | Confident | 72 | Confident | 18 Ų | 18 | 54.4 Ų | 54.4 | 12% | 0.122 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 152.2 | -162.2 | -51.9 | 0 | 0 | 0 | 0 | 114.9 | I370 G387 C390 G402 | I370-C381 WeakPolarHBondContact CD1-O 3.18Å; C381-G387 PolarHBondContact SG-O 3.1Å; C381-C390 WeakPolarHBondContact CA-SG 3.47Å; C381-C390 HydrophobicContact CB-CB 3.57Å; C381-C390 WeakPolarHBondContact CB-SG 3.26Å; C381-C390 WeakPolarHBondContact SG-CA 3.17Å; C381-C390 WeakPolarHBondContact SG-CB 3.36Å; C381-C390 CovalentContact SG-SG 2.04Å; C381-C390 PolarHBondContact SG-SG 3.43Å; C381-G402 PolarHBondContact O-N 2.04Å |
| 382 | Q | 70.6 | Confident | 72.2 | Confident | 65 Ų | 65 | 57.5 Ų | 57.5 | 30% | 0.304 | 31% | 0.311 | S | S | . | . | trans | -79.9 | 173.5 | -177.9 | -81.2 | -171.6 | 42.9 | 0 | 0 | 115 | D367 N368 T369 I370 G384 W385 D401 G402 | D367-Q382 VanDerWaalsContact O-CD 3.32Å; D367-Q382 PolarHBondContact O-NE2 3.39Å; D367-Q382 PolarHBondContact O-OE1 3.27Å; N368-Q382 WeakPolarHBondContact O-CB 3.14Å; N368-Q382 PolarHBondContact O-N 3.36Å; T369-Q382 PolarHBondContact O-NE2 2.85Å; I370-Q382 HydrophobicContact CG1-CG 3.81Å; Q382-G384 PolarHBondContact O-N 3.38Å; Q382-W385 PolarHBondContact O-N 2.98Å; Q382-W385 VanDerWaalsContact O-N 3.16Å; Q382-D401 WeakPolarHBondContact CA-OD1 3.37Å; Q382-G402 PolarHBondContact O-N 2.61Å | ||
| 383 | P | 70.1 | Confident | 71.9 | Confident | 72 Ų | 72 | 60.9 Ų | 60.9 | 47% | 0.468 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 131.1 | -178 | -25.8 | 36.3 | 0 | 0 | 0 | 116.1 | W385 G400 D401 | P383-W385 VanDerWaalsContact C-N 3.34Å; P383-G400 VanDerWaalsContact CA-O 3.3Å; P383-G400 WeakPolarHBondContact CA-O 3.48Å; P383-D401 WeakPolarHBondContact CD-OD1 3.23Å; P383-D401 HydrophobicContact CG-CB 4.01Å; P383-D401 WeakPolarHBondContact CG-OD1 3.44Å |
| 384 | G | 69.4 | Low | 71.8 | Confident | 4 Ų | 4 | 58.3 Ų | 58.3 | 4% | 0.041 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | -7.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q382 S393 C394 G400 | Q382-G384 PolarHBondContact O-N 3.38Å; G384-S393 WeakPolarHBondContact O-CA 3.28Å; G384-C394 WeakPolarHBondContact CA-SG 3.42Å; G384-C394 PolarHBondContact O-N 3.11Å; G384-C394 PolarHBondContact O-SG 3.36Å; G384-G400 PolarHBondContact N-O 3.48Å |
| 385 | W | 76.3 | Confident | 71.9 | Confident | 95 Ų | 95 | 62 Ų | 62 | 36% | 0.36 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 155.8 | -168.8 | -55.5 | 95.5 | 0 | 0 | 0 | 114.9 | N368 Q382 P383 E392 G402 C403 | N368-W385 HydrophobicContact CB-CG 4.4Å; N368-W385 PolarHBondContact OD1-NE1 3.21Å; N368-W385 VanDerWaalsContact OD1-NE1 3.12Å; Q382-W385 PolarHBondContact O-N 2.98Å; Q382-W385 VanDerWaalsContact O-N 3.16Å; P383-W385 VanDerWaalsContact C-N 3.34Å; W385-E392 CarbonylContact C-O 3.55Å; W385-E392 WeakPolarHBondContact CA-O 3.36Å; W385-G402 CarbonylContact O-C 3.42Å; W385-G402 WeakPolarHBondContact O-CA 3.29Å; W385-C403 PolarHBondContact O-SG 3.12Å |
| 386 | S | 70.1 | Confident | 71.8 | Confident | 29 Ų | 29 | 63.5 Ų | 63.5 | 20% | 0.203 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | -171 | -172.9 | 63.7 | 0 | 0 | 0 | 0 | 111.4 | C390 N391 E392 | S386-C390 CarbonylContact O-C 3.53Å; S386-C390 WeakPolarHBondContact O-CA 3.01Å; S386-N391 PolarHBondContact O-N 3.01Å; S386-E392 PolarHBondContact N-O 3.46Å; S386-E392 PolarHBondContact O-N 3.46Å; S386-E392 PolarHBondContact OG-O 2.84Å |
| 387 | G | 69.4 | Low | 71.6 | Confident | 28 Ų | 28 | 60.1 Ų | 60.1 | 29% | 0.289 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | 161 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | C381 H389 C390 E392 | C381-G387 PolarHBondContact SG-O 3.1Å; G387-H389 PolarHBondContact O-N 3.19Å; G387-C390 PolarHBondContact O-N 2.91Å; G387-E392 WeakPolarHBondContact CA-OE2 3.19Å |
| 388 | R | 70.2 | Confident | 71.7 | Confident | 209 Ų | 209 | 65 Ų | 65 | 79% | 0.789 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -28.2 | -169.3 | -178 | -176.8 | -66.7 | -108.5 | -0.6 | 115.1 | ||
| 389 | H | 76 | Confident | 71.5 | Confident | 93 Ų | 93 | 64.6 Ų | 64.6 | 43% | 0.431 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | 11.4 | -177.4 | -60.6 | -84.6 | 0 | 0 | 0 | 112.9 | P363 D365 G387 | P363-H389 PolarHBondContact O-ND1 2.02Å; D365-H389 WeakPolarHBondContact CB-O 3.1Å; D365-H389 PolarHBondContact N-O 3.47Å; D365-H389 VanDerWaalsContact N-O 3.08Å; G387-H389 PolarHBondContact O-N 3.19Å |
| 390 | C | 73.8 | Confident | 70.8 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 58 | -179.8 | -48.1 | 0 | 0 | 0 | 0 | 114 | N368 C381 S386 G387 | N368-C390 HydrophobicContact CB-CB 4.42Å; N368-C390 WeakPolarHBondContact O-CB 3Å; C381-C390 WeakPolarHBondContact CA-SG 3.47Å; C381-C390 HydrophobicContact CB-CB 3.57Å; C381-C390 WeakPolarHBondContact CB-SG 3.26Å; C381-C390 WeakPolarHBondContact SG-CA 3.17Å; C381-C390 WeakPolarHBondContact SG-CB 3.36Å; C381-C390 CovalentContact SG-SG 2.04Å; C381-C390 PolarHBondContact SG-SG 3.43Å; S386-C390 CarbonylContact O-C 3.53Å; S386-C390 WeakPolarHBondContact O-CA 3.01Å; G387-C390 PolarHBondContact O-N 2.91Å |
| 391 | N | 73.1 | Confident | 70.3 | Confident | 121 Ų | 121 | 64.1 Ų | 64.1 | 65% | 0.647 | 35% | 0.346 | S | S | * | . | trans | -139.3 | 2.8 | -169.7 | -175.9 | 43.5 | 0 | 0 | 0 | 113.4 | S386 | S386-N391 PolarHBondContact O-N 3.01Š| ||
| 392 | E | 72.8 | Confident | 69.6 | Low | 118 Ų | 118 | 64.3 Ų | 64.3 | 55% | 0.551 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 156.5 | 178.6 | -66.5 | 163.5 | -164.5 | 0 | 0 | 109.2 | W385 S386 G387 | W385-E392 CarbonylContact C-O 3.55Å; W385-E392 WeakPolarHBondContact CA-O 3.36Å; S386-E392 PolarHBondContact N-O 3.46Å; S386-E392 PolarHBondContact O-N 3.46Å; S386-E392 PolarHBondContact OG-O 2.84Å; G387-E392 WeakPolarHBondContact CA-OE2 3.19Å |
| 393 | S | 68.5 | Low | 69.5 | Low | 82 Ų | 82 | 61.9 Ų | 61.9 | 57% | 0.573 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 163.5 | -175.3 | 55.7 | 0 | 0 | 0 | 0 | 113.7 | G384 | G384-S393 WeakPolarHBondContact O-CA 3.28Å |
| 394 | C | 70.3 | Confident | 69.1 | Low | 12 Ų | 12 | 65.8 Ų | 65.8 | 8% | 0.081 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 142.4 | -163.8 | -60.6 | 0 | 0 | 0 | 0 | 116.8 | G384 C403 | G384-C394 WeakPolarHBondContact CA-SG 3.42Å; G384-C394 PolarHBondContact O-N 3.11Å; G384-C394 PolarHBondContact O-SG 3.36Å; C394-C403 WeakPolarHBondContact CA-SG 3.07Å; C394-C403 HydrophobicContact CB-CB 3.64Å; C394-C403 WeakPolarHBondContact CB-SG 2.94Å; C394-C403 WeakPolarHBondContact SG-CA 3.45Å; C394-C403 WeakPolarHBondContact SG-CB 3.47Å; C394-C403 CovalentContact SG-SG 2.03Å; C394-C403 PolarHBondContact SG-SG 3.19Å |
| 395 | P | 67.9 | Low | 68.8 | Low | 79 Ų | 79 | 69.9 Ų | 69.9 | 51% | 0.513 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 156.4 | 172 | 31 | -35.4 | 0 | 0 | 0 | 112.6 | Y398 | P395-Y398 PolarHBondContact O-N 2.79Å; P395-Y398 VanDerWaalsContact O-N 3.1Å |
| 396 | A | 65.1 | Low | 68.2 | Low | 84 Ų | 84 | 69.5 Ų | 69.5 | 69% | 0.694 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 142.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y398 | A396-Y398 PolarHBondContact O-N 3.45Š|
| 397 | G | 65.8 | Low | 68.2 | Low | 24 Ų | 24 | 69.1 Ų | 69.1 | 25% | 0.247 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | -13.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | C407 | G397-C407 PolarHBondContact O-N 2.8Å; G397-C407 PolarHBondContact O-SG 3.37Å |
| 398 | Y | 72.1 | Confident | 68 | Low | 105 Ų | 105 | 72 Ų | 72 | 41% | 0.412 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 149.1 | 178.4 | -64.2 | -94.5 | 0 | 0 | 0 | 112.2 | P395 A396 Q405 T406 S417 | P395-Y398 PolarHBondContact O-N 2.79Å; P395-Y398 VanDerWaalsContact O-N 3.1Å; A396-Y398 PolarHBondContact O-N 3.45Å; Y398-Q405 CarbonylContact C-O 3.49Å; Y398-Q405 VanDerWaalsContact CA-O 3.26Å; Y398-Q405 WeakPolarHBondContact CA-O 3.24Å; Y398-T406 HydrophobicContact CE1-CG2 4.44Å; Y398-T406 VanDerWaalsContact CE1-OG1 3.24Å; Y398-T406 WeakPolarHBondContact CE1-OG1 3.28Å; Y398-S417 WeakPolarHBondContact O-CA 3.01Å; Y398-S417 WeakPolarHBondContact O-CB 3.32Å |
| 399 | Y | 70.3 | Confident | 67.9 | Low | 48 Ų | 48 | 63 Ų | 63 | 19% | 0.188 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | -168.5 | 176.8 | 77.7 | -56.3 | 0 | 0 | 0 | 108.4 | Q405 T406 S417 | Y399-Q405 HydrophobicContact CD1-CB 4.02Å; Y399-Q405 WeakPolarHBondContact CD1-O 3.29Å; Y399-Q405 HydrophobicContact CE1-CB 3.9Å; Y399-Q405 PolarHBondContact N-O 3.45Å; Y399-Q405 WeakPolarHBondContact O-CA 3.41Å; Y399-Q405 WeakPolarHBondContact O-CB 3.42Å; Y399-Q405 PolarHBondContact O-N 3.37Å; Y399-Q405 VanDerWaalsContact O-O 3.06Å; Y399-T406 WeakPolarHBondContact CE1-O 3.47Å; Y399-S417 VanDerWaalsContact CA-O 3.31Å; Y399-S417 WeakPolarHBondContact CA-O 3.36Å; Y399-S417 WeakPolarHBondContact CB-O 3.05Å |
| 400 | G | 62.7 | Low | 67 | Low | 7 Ų | 7 | 63.3 Ų | 63.3 | 7% | 0.072 | 36% | 0.36 | C | S | . | . | S | Bend | trans | 65.1 | -162.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | P383 G384 G402 C403 | P383-G400 VanDerWaalsContact CA-O 3.3Å; P383-G400 WeakPolarHBondContact CA-O 3.48Å; G384-G400 PolarHBondContact N-O 3.48Å; G400-G402 PolarHBondContact O-N 2.85Å; G400-C403 PolarHBondContact O-N 2.84Å |
| 401 | D | 64.1 | Low | 66.2 | Low | 53 Ų | 53 | 66.3 Ų | 66.3 | 28% | 0.283 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -64 | 126.5 | -160.7 | -157 | 29.2 | 0 | 0 | 0 | 114.8 | I370 Q382 P383 C403 Q404 | I370-D401 WeakPolarHBondContact CD1-OD1 3.02Å; I370-D401 WeakPolarHBondContact CD1-OD2 3.27Å; Q382-D401 WeakPolarHBondContact CA-OD1 3.37Å; P383-D401 WeakPolarHBondContact CD-OD1 3.23Å; P383-D401 HydrophobicContact CG-CB 4.01Å; P383-D401 WeakPolarHBondContact CG-OD1 3.44Å; D401-C403 PolarHBondContact O-N 3.18Å; D401-Q404 VanDerWaalsContact O-CB 3.24Å; D401-Q404 WeakPolarHBondContact O-CB 3.48Å; D401-Q404 VanDerWaalsContact O-CG 3.31Å; D401-Q404 WeakPolarHBondContact O-CG 3.04Å; D401-Q404 PolarHBondContact O-N 2.76Å |
| 402 | G | 63.3 | Low | 65.7 | Low | 22 Ų | 22 | 64 Ų | 64 | 23% | 0.227 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | 50.5 | 21.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | C381 Q382 W385 G400 Q404 | C381-G402 PolarHBondContact O-N 2.04Å; Q382-G402 PolarHBondContact O-N 2.61Å; W385-G402 CarbonylContact O-C 3.42Å; W385-G402 WeakPolarHBondContact O-CA 3.29Å; G400-G402 PolarHBondContact O-N 2.85Å; G402-Q404 VanDerWaalsContact C-N 3.34Å |
| 403 | C | 67.3 | Low | 65.2 | Low | 15 Ų | 15 | 59 Ų | 59 | 10% | 0.101 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | 61.7 | 30.3 | -169.4 | -53.4 | 0 | 0 | 0 | 0 | 115.8 | W385 C394 G400 D401 | W385-C403 PolarHBondContact O-SG 3.12Å; C394-C403 WeakPolarHBondContact CA-SG 3.07Å; C394-C403 HydrophobicContact CB-CB 3.64Å; C394-C403 WeakPolarHBondContact CB-SG 2.94Å; C394-C403 WeakPolarHBondContact SG-CA 3.45Å; C394-C403 WeakPolarHBondContact SG-CB 3.47Å; C394-C403 CovalentContact SG-SG 2.03Å; C394-C403 PolarHBondContact SG-SG 3.19Å; G400-C403 PolarHBondContact O-N 2.84Å; D401-C403 PolarHBondContact O-N 3.18Å |
| 404 | Q | 63.3 | Low | 65.1 | Low | 153 Ų | 153 | 60.4 Ų | 60.4 | 72% | 0.715 | 36% | 0.361 | S | S | * | . | trans | -94.9 | -14.4 | -176.4 | -59 | 171.6 | 36.5 | 0 | 0 | 114 | D401 G402 | D401-Q404 VanDerWaalsContact O-CB 3.24Å; D401-Q404 WeakPolarHBondContact O-CB 3.48Å; D401-Q404 VanDerWaalsContact O-CG 3.31Å; D401-Q404 WeakPolarHBondContact O-CG 3.04Å; D401-Q404 PolarHBondContact O-N 2.76Å; G402-Q404 VanDerWaalsContact C-N 3.34Å | ||
| 405 | Q | 61.7 | Low | 65.1 | Low | 90 Ų | 90 | 60.9 Ų | 60.9 | 42% | 0.421 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 137 | -177.1 | -55.5 | 178.2 | 10.5 | 0 | 0 | 110 | Y398 Y399 | Y398-Q405 CarbonylContact C-O 3.49Å; Y398-Q405 VanDerWaalsContact CA-O 3.26Å; Y398-Q405 WeakPolarHBondContact CA-O 3.24Å; Y399-Q405 HydrophobicContact CD1-CB 4.02Å; Y399-Q405 WeakPolarHBondContact CD1-O 3.29Å; Y399-Q405 HydrophobicContact CE1-CB 3.9Å; Y399-Q405 PolarHBondContact N-O 3.45Å; Y399-Q405 WeakPolarHBondContact O-CA 3.41Å; Y399-Q405 WeakPolarHBondContact O-CB 3.42Å; Y399-Q405 PolarHBondContact O-N 3.37Å; Y399-Q405 VanDerWaalsContact O-O 3.06Å |
| 406 | T | 64.4 | Low | 65.1 | Low | 87 Ų | 87 | 62.4 Ų | 62.4 | 53% | 0.534 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 134.5 | -178 | -47.1 | 0 | 0 | 0 | 0 | 110.8 | Y398 Y399 | Y398-T406 HydrophobicContact CE1-CG2 4.44Å; Y398-T406 VanDerWaalsContact CE1-OG1 3.24Å; Y398-T406 WeakPolarHBondContact CE1-OG1 3.28Å; Y399-T406 WeakPolarHBondContact CE1-O 3.47Å |
| 407 | C | 69.1 | Low | 65.1 | Low | 21 Ų | 21 | 60.2 Ų | 60.2 | 14% | 0.142 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -54.3 | 140.7 | -174.7 | -75.9 | 0 | 0 | 0 | 0 | 115.1 | G397 C409 C415 | G397-C407 PolarHBondContact O-N 2.8Å; G397-C407 PolarHBondContact O-SG 3.37Å; C407-C409 PolarHBondContact O-N 3.45Å; C407-C415 HydrophobicContact CB-CB 3.46Å; C407-C415 VanDerWaalsContact CB-CB 3.46Å; C407-C415 WeakPolarHBondContact CB-SG 3.29Å; C407-C415 WeakPolarHBondContact SG-CB 3.47Å; C407-C415 CovalentContact SG-SG 2.01Å; C407-C415 PolarHBondContact SG-SG 2.95Å |
| 408 | T | 66.8 | Low | 65 | Low | 90 Ų | 90 | 64.5 Ų | 64.5 | 55% | 0.552 | 36% | 0.359 | S | S | * | . | trans | -79.1 | 21.5 | 177.1 | 50.2 | 0 | 0 | 0 | 0 | 114.4 | Q410 | T408-Q410 VanDerWaalsContact O-CG 3.3Å; T408-Q410 WeakPolarHBondContact O-CG 3.42Å; T408-Q410 PolarHBondContact O-N 2.59Å | ||
| 409 | C | 67.1 | Low | 64.6 | Low | 19 Ų | 19 | 64.1 Ų | 64.1 | 13% | 0.128 | 37% | 0.368 | C | S | . | . | trans | -79.9 | 110.2 | -174.8 | -66.9 | 0 | 0 | 0 | 0 | 111.5 | C407 A413 C415 G420 C422 | C407-C409 PolarHBondContact O-N 3.45Å; C409-A413 HydrophobicContact CB-CB 3.88Å; C409-A413 VanDerWaalsContact CB-O 3.25Å; C409-A413 WeakPolarHBondContact CB-O 3.38Å; C409-C415 HydrophobicContact CB-CB 4.31Å; C409-G420 PolarHBondContact SG-O 2.86Å; C409-G420 VanDerWaalsContact SG-O 3.38Å; C409-C422 WeakPolarHBondContact CA-SG 3.04Å; C409-C422 HydrophobicContact CB-CB 3.59Å; C409-C422 WeakPolarHBondContact CB-SG 3.03Å; C409-C422 WeakPolarHBondContact SG-CA 3.47Å; C409-C422 WeakPolarHBondContact SG-CB 3.26Å; C409-C422 CovalentContact SG-SG 2.04Å; C409-C422 PolarHBondContact SG-SG 3Å | ||
| 410 | Q | 57.6 | Low | 64.4 | Low | 100 Ų | 100 | 62.2 Ų | 62.2 | 47% | 0.467 | 36% | 0.363 | S | S | . | . | trans | -83.9 | 153 | -164.3 | -51.5 | -165.6 | 0.2 | 0 | 0 | 111.5 | T408 A413 C433 | T408-Q410 VanDerWaalsContact O-CG 3.3Å; T408-Q410 WeakPolarHBondContact O-CG 3.42Å; T408-Q410 PolarHBondContact O-N 2.59Å; Q410-A413 WeakPolarHBondContact O-CB 3.33Å; Q410-C433 VanDerWaalsContact O-CB 3.3Å; Q410-C433 WeakPolarHBondContact O-CB 3.47Å | ||
| 411 | N | 57.8 | Low | 64.9 | Low | 62 Ų | 62 | 63.7 Ų | 63.7 | 33% | 0.332 | 38% | 0.378 | S | S | . | . | S | Bend | trans | 55.4 | 57.9 | 172.6 | -51.8 | -53 | 0 | 0 | 0 | 113.3 | A413 A425 F428 C433 | N411-A413 PolarHBondContact O-N 3.04Å; N411-A425 WeakPolarHBondContact O-CB 3.37Å; N411-F428 HydrophobicContact CB-CB 4.41Å; N411-F428 HydrophobicContact CB-CD2 3.25Å; N411-F428 HydrophobicContact CB-CE2 3.51Å; N411-F428 HydrophobicContact CB-CG 3.82Å; N411-F428 HydrophobicContact CB-CZ 4.25Å; N411-F428 VanDerWaalsContact CG-CZ 3.46Å; N411-F428 VanDerWaalsContact ND2-CD1 3.33Å; N411-F428 WeakPolarHBondContact ND2-CD1 3.37Å; N411-F428 WeakPolarHBondContact ND2-CE1 3Å; N411-F428 WeakPolarHBondContact ND2-CG 3.03Å; N411-F428 WeakPolarHBondContact OD1-CE2 3.42Å; N411-F428 WeakPolarHBondContact OD1-CZ 3.22Å; N411-C433 PolarHBondContact ND2-O 3.29Å |
| 412 | G | 60.7 | Low | 65.2 | Low | 73 Ų | 73 | 62.4 Ų | 62.4 | 75% | 0.753 | 37% | 0.373 | S | S | * | . | S | Bend | trans | 73.6 | 21.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 413 | A | 62.4 | Low | 65.4 | Low | 14 Ų | 14 | 66 Ų | 66 | 12% | 0.116 | 39% | 0.39 | C | S | . | . | trans | -89.5 | 135.1 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | C409 Q410 N411 C422 T423 C433 | C409-A413 HydrophobicContact CB-CB 3.88Å; C409-A413 VanDerWaalsContact CB-O 3.25Å; C409-A413 WeakPolarHBondContact CB-O 3.38Å; Q410-A413 WeakPolarHBondContact O-CB 3.33Å; N411-A413 PolarHBondContact O-N 3.04Å; A413-C422 HydrophobicContact CB-CB 4.32Å; A413-T423 CarbonylContact C-O 3.53Å; A413-T423 WeakPolarHBondContact CA-O 3.18Å; A413-T423 WeakPolarHBondContact CB-O 3.49Å; A413-C433 HydrophobicContact CB-CB 4.05Å; A413-C433 VanDerWaalsContact CB-SG 3.59Å | ||
| 414 | D | 67.5 | Low | 65.6 | Low | 111 Ų | 111 | 67.8 Ų | 67.8 | 59% | 0.594 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 148.8 | -178.5 | -170.5 | 23.6 | 0 | 0 | 0 | 112.6 | C422 T423 | D414-C422 CarbonylContact O-C 3.43Å; D414-C422 VanDerWaalsContact O-CA 3.28Å; D414-C422 WeakPolarHBondContact O-CA 3.4Å; D414-T423 PolarHBondContact N-O 2.03Å; D414-T423 PolarHBondContact O-N 2.7Å; D414-T423 PolarHBondContact O-OG1 3.2Å |
| 415 | C | 70 | Confident | 65.6 | Low | 21 Ų | 21 | 61.7 Ų | 61.7 | 14% | 0.142 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 144.7 | -156.6 | -174.6 | 0 | 0 | 0 | 0 | 118.4 | C407 C409 G420 G421 | C407-C415 HydrophobicContact CB-CB 3.46Å; C407-C415 VanDerWaalsContact CB-CB 3.46Å; C407-C415 WeakPolarHBondContact CB-SG 3.29Å; C407-C415 WeakPolarHBondContact SG-CB 3.47Å; C407-C415 CovalentContact SG-SG 2.01Å; C407-C415 PolarHBondContact SG-SG 2.95Å; C409-C415 HydrophobicContact CB-CB 4.31Å; C415-G420 VanDerWaalsContact SG-CA 3.59Å; C415-G421 VanDerWaalsContact CA-O 3.29Å; C415-G421 WeakPolarHBondContact CA-O 3.05Å |
| 416 | H | 68.6 | Low | 65.7 | Low | 112 Ų | 112 | 60.6 Ų | 60.6 | 52% | 0.519 | 38% | 0.379 | S | S | . | . | trans | -82 | 119.1 | 174 | -159 | -102.5 | 0 | 0 | 0 | 115.4 | I418 T419 G420 G421 | H416-I418 VanDerWaalsContact C-N 3.34Å; H416-I418 PolarHBondContact O-N 3.3Å; H416-I418 VanDerWaalsContact O-N 3.1Å; H416-T419 PolarHBondContact ND1-OG1 2.04Å; H416-T419 PolarHBondContact O-N 2.83Å; H416-G420 PolarHBondContact O-N 2.94Å; H416-G421 PolarHBondContact N-O 3.36Å | ||
| 417 | S | 63.8 | Low | 65.7 | Low | 37 Ų | 37 | 56.5 Ų | 56.5 | 26% | 0.259 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | 3 | -163.6 | 59.9 | 0 | 0 | 0 | 0 | 118.9 | Y398 Y399 | Y398-S417 WeakPolarHBondContact O-CA 3.01Å; Y398-S417 WeakPolarHBondContact O-CB 3.32Å; Y399-S417 VanDerWaalsContact CA-O 3.31Å; Y399-S417 WeakPolarHBondContact CA-O 3.36Å; Y399-S417 WeakPolarHBondContact CB-O 3.05Å |
| 418 | I | 63.7 | Low | 65.7 | Low | 114 Ų | 114 | 56.9 Ų | 56.9 | 59% | 0.585 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.3 | -28.1 | 172.5 | -59.2 | 174.1 | 0 | 0 | 0 | 111.3 | H416 | H416-I418 VanDerWaalsContact C-N 3.34Å; H416-I418 PolarHBondContact O-N 3.3Å; H416-I418 VanDerWaalsContact O-N 3.1Å |
| 419 | T | 64.9 | Low | 65.5 | Low | 98 Ų | 98 | 56.8 Ų | 56.8 | 60% | 0.601 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.1 | -14.3 | -162.7 | 52.3 | 0 | 0 | 0 | 0 | 115.6 | H416 | H416-T419 PolarHBondContact ND1-OG1 2.04Å; H416-T419 PolarHBondContact O-N 2.83Å |
| 420 | G | 65.1 | Low | 65.3 | Low | 8 Ų | 8 | 57.7 Ų | 57.7 | 8% | 0.082 | 36% | 0.36 | C | S | . | . | trans | 82.6 | 21.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | C409 C415 H416 C422 | C409-G420 PolarHBondContact SG-O 2.86Å; C409-G420 VanDerWaalsContact SG-O 3.38Å; C415-G420 VanDerWaalsContact SG-CA 3.59Å; H416-G420 PolarHBondContact O-N 2.94Å; G420-C422 PolarHBondContact O-SG 2.9Å | ||
| 421 | G | 72.8 | Confident | 65.6 | Low | 37 Ų | 37 | 61.5 Ų | 61.5 | 38% | 0.381 | 38% | 0.378 | S | S | . | . | trans | -85.7 | 155.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | C415 H416 | C415-G421 VanDerWaalsContact CA-O 3.29Å; C415-G421 WeakPolarHBondContact CA-O 3.05Å; H416-G421 PolarHBondContact N-O 3.36Å | ||
| 422 | C | 70.7 | Confident | 66 | Low | 27 Ų | 27 | 62.4 Ų | 62.4 | 18% | 0.182 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 156.1 | -146.2 | -52.8 | 0 | 0 | 0 | 0 | 117.7 | C409 A413 D414 G420 | C409-C422 WeakPolarHBondContact CA-SG 3.04Å; C409-C422 HydrophobicContact CB-CB 3.59Å; C409-C422 WeakPolarHBondContact CB-SG 3.03Å; C409-C422 WeakPolarHBondContact SG-CA 3.47Å; C409-C422 WeakPolarHBondContact SG-CB 3.26Å; C409-C422 CovalentContact SG-SG 2.04Å; C409-C422 PolarHBondContact SG-SG 3Å; A413-C422 HydrophobicContact CB-CB 4.32Å; D414-C422 CarbonylContact O-C 3.43Å; D414-C422 VanDerWaalsContact O-CA 3.28Å; D414-C422 WeakPolarHBondContact O-CA 3.4Å; G420-C422 PolarHBondContact O-SG 2.9Å |
| 423 | T | 68.9 | Low | 66.2 | Low | 96 Ų | 96 | 58.9 Ų | 58.9 | 59% | 0.589 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 117.2 | -177.4 | -30.8 | 0 | 0 | 0 | 0 | 114 | A413 D414 | A413-T423 CarbonylContact C-O 3.53Å; A413-T423 WeakPolarHBondContact CA-O 3.18Å; A413-T423 WeakPolarHBondContact CB-O 3.49Å; D414-T423 PolarHBondContact N-O 2.03Å; D414-T423 PolarHBondContact O-N 2.7Å; D414-T423 PolarHBondContact O-OG1 3.2Å |
| 424 | C | 71.7 | Confident | 66.2 | Low | 54 Ų | 54 | 60.5 Ų | 60.5 | 37% | 0.365 | 36% | 0.363 | S | S | . | . | trans | -84.4 | 152.4 | -151.7 | -46 | 0 | 0 | 0 | 0 | 120 | G430 C433 | C424-G430 PolarHBondContact SG-O 2.88Å; C424-C433 WeakPolarHBondContact CA-SG 3.4Å; C424-C433 HydrophobicContact CB-CB 3.55Å; C424-C433 WeakPolarHBondContact CB-SG 3.02Å; C424-C433 PolarHBondContact N-SG 2.88Å; C424-C433 WeakPolarHBondContact SG-CA 3.23Å; C424-C433 WeakPolarHBondContact SG-CB 3.31Å; C424-C433 CovalentContact SG-SG 2.03Å; C424-C433 PolarHBondContact SG-SG 2.97Å | ||
| 425 | A | 62.2 | Low | 66.4 | Low | 25 Ų | 25 | 59.1 Ų | 59.1 | 21% | 0.207 | 36% | 0.358 | C | S | . | . | trans | -115.2 | -176.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | N411 | N411-A425 WeakPolarHBondContact O-CB 3.37Š| ||
| 426 | P | 63.4 | Low | 66 | Low | 67 Ų | 67 | 61.1 Ų | 61.1 | 44% | 0.435 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | 137.1 | -173.2 | -32.5 | 38.3 | 0 | 0 | 0 | 117.2 | F428 P444 | P426-F428 VanDerWaalsContact O-CD2 3.27Å; P426-F428 WeakPolarHBondContact O-CD2 2.95Å; P426-P444 HydrophobicContact CB-CB 4.43Å; P426-P444 HydrophobicContact CG-CB 4.22Å; P426-P444 HydrophobicContact CG-CG 4.37Å |
| 427 | G | 64.6 | Low | 65.9 | Low | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.3 | -6.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | S436 C437 G443 P460 | G427-S436 WeakPolarHBondContact O-CA 3.43Å; G427-C437 VanDerWaalsContact C-SG 3.51Å; G427-C437 PolarHBondContact O-N 2.86Å; G427-C437 PolarHBondContact O-SG 3.14Å; G427-G443 WeakPolarHBondContact CA-O 3.03Å; G427-G443 VanDerWaalsContact N-C 3.28Å; G427-G443 PolarHBondContact N-O 2.9Å; G427-P460 WeakPolarHBondContact CA-O 3.28Å |
| 428 | F | 69 | Low | 66.2 | Low | 29 Ų | 29 | 58 Ų | 58 | 13% | 0.127 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 166.5 | -169.7 | -52.7 | -92.2 | 0 | 0 | 0 | 113.7 | N411 P426 C433 V435 V461 | N411-F428 HydrophobicContact CB-CB 4.41Å; N411-F428 HydrophobicContact CB-CD2 3.25Å; N411-F428 HydrophobicContact CB-CE2 3.51Å; N411-F428 HydrophobicContact CB-CG 3.82Å; N411-F428 HydrophobicContact CB-CZ 4.25Å; N411-F428 VanDerWaalsContact CG-CZ 3.46Å; N411-F428 VanDerWaalsContact ND2-CD1 3.33Å; N411-F428 WeakPolarHBondContact ND2-CD1 3.37Å; N411-F428 WeakPolarHBondContact ND2-CE1 3Å; N411-F428 WeakPolarHBondContact ND2-CG 3.03Å; N411-F428 WeakPolarHBondContact OD1-CE2 3.42Å; N411-F428 WeakPolarHBondContact OD1-CZ 3.22Å; P426-F428 VanDerWaalsContact O-CD2 3.27Å; P426-F428 WeakPolarHBondContact O-CD2 2.95Å; F428-C433 VanDerWaalsContact CB-O 3.26Å; F428-C433 WeakPolarHBondContact CB-O 3.34Å; F428-V435 CarbonylContact C-O 3.59Å; F428-V435 WeakPolarHBondContact CA-O 2.98Å; F428-V461 HydrophobicContact CE2-CG2 3.6Å; F428-V461 HydrophobicContact CZ-CG2 3.83Å |
| 429 | M | 63.7 | Low | 66.1 | Low | 88 Ų | 88 | 57.4 Ų | 57.4 | 43% | 0.433 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 172.2 | 177.8 | 56.7 | -178.8 | -101.5 | 0 | 0 | 111.5 | A434 V435 | M429-A434 PolarHBondContact O-N 3.41Å; M429-V435 HydrophobicContact CE-CG1 4.4Å; M429-V435 HydrophobicContact CG-CB 3.9Å; M429-V435 HydrophobicContact CG-CG1 4Å; M429-V435 WeakPolarHBondContact CG-O 3.01Å; M429-V435 PolarHBondContact N-O 3.12Å; M429-V435 WeakPolarHBondContact O-CB 3.33Å; M429-V435 PolarHBondContact O-N 2.84Å |
| 430 | G | 62.3 | Low | 66.2 | Low | 38 Ų | 38 | 54 Ų | 54 | 39% | 0.392 | 36% | 0.364 | S | S | . | . | S | Bend | trans | 91.6 | 167.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | C424 V432 C433 | C424-G430 PolarHBondContact SG-O 2.88Å; G430-V432 VanDerWaalsContact C-N 3.31Å; G430-V432 PolarHBondContact O-N 2.04Å; G430-V432 VanDerWaalsContact O-N 3.1Å; G430-C433 WeakPolarHBondContact O-CA 3.28Å; G430-C433 PolarHBondContact O-N 3.47Å |
| 431 | E | 63.8 | Low | 66.7 | Low | 180 Ų | 180 | 55.6 Ų | 55.6 | 84% | 0.841 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -31.6 | -165.3 | -59.1 | -62.4 | 126.2 | 0 | 0 | 116.7 | ||
| 432 | V | 65.9 | Low | 66.8 | Low | 81 Ų | 81 | 57 Ų | 57 | 49% | 0.491 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | 19.2 | 174.1 | -63 | 0 | 0 | 0 | 0 | 112.3 | G430 A434 | G430-V432 VanDerWaalsContact C-N 3.31Å; G430-V432 PolarHBondContact O-N 2.04Å; G430-V432 VanDerWaalsContact O-N 3.1Å; V432-A434 VanDerWaalsContact C-N 3.32Å; V432-A434 HydrophobicContact CG2-CB 4.12Å; V432-A434 PolarHBondContact O-N 2.02Å |
| 433 | C | 64.9 | Low | 66.6 | Low | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 36% | 0.36 | C | S | . | . | S | Bend | trans | 62.4 | 35.2 | 170.9 | -48.9 | 0 | 0 | 0 | 0 | 114.4 | Q410 N411 A413 C424 F428 G430 | Q410-C433 VanDerWaalsContact O-CB 3.3Å; Q410-C433 WeakPolarHBondContact O-CB 3.47Å; N411-C433 PolarHBondContact ND2-O 3.29Å; A413-C433 HydrophobicContact CB-CB 4.05Å; A413-C433 VanDerWaalsContact CB-SG 3.59Å; C424-C433 WeakPolarHBondContact CA-SG 3.4Å; C424-C433 HydrophobicContact CB-CB 3.55Å; C424-C433 WeakPolarHBondContact CB-SG 3.02Å; C424-C433 PolarHBondContact N-SG 2.88Å; C424-C433 WeakPolarHBondContact SG-CA 3.23Å; C424-C433 WeakPolarHBondContact SG-CB 3.31Å; C424-C433 CovalentContact SG-SG 2.03Å; C424-C433 PolarHBondContact SG-SG 2.97Å; F428-C433 VanDerWaalsContact CB-O 3.26Å; F428-C433 WeakPolarHBondContact CB-O 3.34Å; G430-C433 WeakPolarHBondContact O-CA 3.28Å; G430-C433 PolarHBondContact O-N 3.47Å |
| 434 | A | 63.2 | Low | 66.4 | Low | 48 Ų | 48 | 54.9 Ų | 54.9 | 40% | 0.397 | 35% | 0.354 | S | S | . | . | trans | -110.9 | -10.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | M429 V432 S436 | M429-A434 PolarHBondContact O-N 3.41Å; V432-A434 VanDerWaalsContact C-N 3.32Å; V432-A434 HydrophobicContact CG2-CB 4.12Å; V432-A434 PolarHBondContact O-N 2.02Å; A434-S436 PolarHBondContact O-N 3.48Å | ||
| 435 | V | 71.4 | Confident | 66.1 | Low | 81 Ų | 81 | 57.8 Ų | 57.8 | 49% | 0.491 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 114 | 177.2 | -179.7 | 0 | 0 | 0 | 0 | 108.8 | F428 M429 | F428-V435 CarbonylContact C-O 3.59Å; F428-V435 WeakPolarHBondContact CA-O 2.98Å; M429-V435 HydrophobicContact CE-CG1 4.4Å; M429-V435 HydrophobicContact CG-CB 3.9Å; M429-V435 HydrophobicContact CG-CG1 4Å; M429-V435 WeakPolarHBondContact CG-O 3.01Å; M429-V435 PolarHBondContact N-O 3.12Å; M429-V435 WeakPolarHBondContact O-CB 3.33Å; M429-V435 PolarHBondContact O-N 2.84Å |
| 436 | S | 60.7 | Low | 66.4 | Low | 64 Ų | 64 | 58.1 Ų | 58.1 | 45% | 0.448 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 165.7 | -178.7 | 55.6 | 0 | 0 | 0 | 0 | 113.7 | G427 A434 | G427-S436 WeakPolarHBondContact O-CA 3.43Å; A434-S436 PolarHBondContact O-N 3.48Å |
| 437 | C | 66.9 | Low | 66.8 | Low | 13 Ų | 13 | 59.2 Ų | 59.2 | 9% | 0.088 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 156 | 179.1 | -49.1 | 0 | 0 | 0 | 0 | 114.5 | G427 T441 C446 P460 | G427-C437 VanDerWaalsContact C-SG 3.51Å; G427-C437 PolarHBondContact O-N 2.86Å; G427-C437 PolarHBondContact O-SG 3.14Å; C437-T441 VanDerWaalsContact CB-O 3.28Å; C437-T441 WeakPolarHBondContact CB-O 3.45Å; C437-C446 WeakPolarHBondContact CA-SG 3.5Å; C437-C446 HydrophobicContact CB-CB 3.45Å; C437-C446 VanDerWaalsContact CB-CB 3.45Å; C437-C446 WeakPolarHBondContact CB-SG 3.31Å; C437-C446 WeakPolarHBondContact SG-CA 3.33Å; C437-C446 WeakPolarHBondContact SG-CB 2.97Å; C437-C446 CovalentContact SG-SG 2.03Å; C437-C446 PolarHBondContact SG-SG 3.33Å; C437-P460 HydrophobicContact CB-CB 3.47Å; C437-P460 VanDerWaalsContact CB-CB 3.47Å; C437-P460 PolarHBondContact SG-O 2.03Å; C437-P460 VanDerWaalsContact SG-O 3.32Å |
| 438 | A | 70.9 | Confident | 66.5 | Low | 71 Ų | 71 | 61.5 Ų | 61.5 | 59% | 0.587 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -66.7 | 151.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | G440 T441 | A438-G440 PolarHBondContact O-N 3.36Å; A438-G440 VanDerWaalsContact O-N 3.11Å; A438-T441 PolarHBondContact O-N 3.46Å; A438-T441 PolarHBondContact O-OG1 3.48Å |
| 439 | A | 62.2 | Low | 66.8 | Low | 101 Ų | 101 | 66.8 Ų | 66.8 | 84% | 0.835 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 118.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 440 | G | 66.8 | Low | 67 | Low | 27 Ų | 27 | 63.7 Ų | 63.7 | 28% | 0.278 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.7 | -1.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | A438 I449 C450 | A438-G440 PolarHBondContact O-N 3.36Å; A438-G440 VanDerWaalsContact O-N 3.11Å; G440-I449 WeakPolarHBondContact O-CA 3.49Å; G440-C450 PolarHBondContact O-N 3.42Å; G440-C450 VanDerWaalsContact O-N 3.09Å; G440-C450 PolarHBondContact O-SG 3.07Å; G440-C450 VanDerWaalsContact O-SG 3.42Å |
| 441 | T | 73.9 | Confident | 67.4 | Low | 41 Ų | 41 | 66.8 Ų | 66.8 | 25% | 0.252 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 152.6 | 172.5 | 75.8 | 0 | 0 | 0 | 0 | 113.2 | C437 A438 S448 I449 P460 | C437-T441 VanDerWaalsContact CB-O 3.28Å; C437-T441 WeakPolarHBondContact CB-O 3.45Å; A438-T441 PolarHBondContact O-N 3.46Å; A438-T441 PolarHBondContact O-OG1 3.48Å; T441-S448 CarbonylContact C-O 3.46Å; T441-S448 WeakPolarHBondContact CA-O 3.29Å; T441-S448 WeakPolarHBondContact CB-O 3.41Å; T441-I449 HydrophobicContact CG2-CG1 4.36Å; T441-P460 WeakPolarHBondContact O-CA 3.42Å |
| 442 | Y | 75.5 | Confident | 67.7 | Low | 67 Ų | 67 | 60 Ų | 60 | 26% | 0.263 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 171.3 | -174.6 | 74.8 | -89 | 0 | 0 | 0 | 115.8 | S447 S448 I449 P460 D462 | Y442-S447 PolarHBondContact O-N 2.92Å; Y442-S448 VanDerWaalsContact CZ-CB 3.49Å; Y442-S448 PolarHBondContact N-O 3.42Å; Y442-S448 PolarHBondContact O-N 2.03Å; Y442-I449 WeakPolarHBondContact CE1-O 3.44Å; Y442-P460 WeakPolarHBondContact CA-O 3.4Å; Y442-P460 WeakPolarHBondContact CB-O 3.13Å; Y442-D462 VanDerWaalsContact CE2-C 3.44Å; Y442-D462 WeakPolarHBondContact CE2-O 3.38Å |
| 443 | G | 65.9 | Low | 67.6 | Low | 4 Ų | 4 | 60.6 Ų | 60.6 | 4% | 0.041 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97 | 179.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | G427 N445 C446 P460 V461 | G427-G443 WeakPolarHBondContact CA-O 3.03Å; G427-G443 VanDerWaalsContact N-C 3.28Å; G427-G443 PolarHBondContact N-O 2.9Å; G443-N445 PolarHBondContact O-N 3.11Å; G443-C446 WeakPolarHBondContact O-CA 2.99Å; G443-C446 PolarHBondContact O-N 3.14Å; G443-P460 PolarHBondContact N-O 2.92Å; G443-V461 PolarHBondContact N-O 3.18Å |
| 444 | P | 65.7 | Low | 67.3 | Low | 73 Ų | 73 | 65.8 Ų | 65.8 | 47% | 0.474 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 125.7 | -175.3 | 26.4 | -33.1 | 0 | 0 | 0 | 111.7 | P426 C446 S447 | P426-P444 HydrophobicContact CB-CB 4.43Å; P426-P444 HydrophobicContact CG-CB 4.22Å; P426-P444 HydrophobicContact CG-CG 4.37Å; P444-C446 PolarHBondContact O-N 2.9Å; P444-C446 VanDerWaalsContact O-N 3.1Å; P444-S447 PolarHBondContact O-OG 2.79Å |
| 445 | N | 66.2 | Low | 67.3 | Low | 116 Ų | 116 | 65.6 Ų | 65.6 | 62% | 0.62 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 30.6 | -167.5 | -59.2 | -71.3 | 0 | 0 | 0 | 113.7 | G443 | G443-N445 PolarHBondContact O-N 3.11Š|
| 446 | C | 68.3 | Low | 67 | Low | 32 Ų | 32 | 62.4 Ų | 62.4 | 22% | 0.216 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 70.8 | 159.8 | -53.8 | 0 | 0 | 0 | 0 | 116.8 | C437 G443 P444 | C437-C446 WeakPolarHBondContact CA-SG 3.5Å; C437-C446 HydrophobicContact CB-CB 3.45Å; C437-C446 VanDerWaalsContact CB-CB 3.45Å; C437-C446 WeakPolarHBondContact CB-SG 3.31Å; C437-C446 WeakPolarHBondContact SG-CA 3.33Å; C437-C446 WeakPolarHBondContact SG-CB 2.97Å; C437-C446 CovalentContact SG-SG 2.03Å; C437-C446 PolarHBondContact SG-SG 3.33Å; G443-C446 WeakPolarHBondContact O-CA 2.99Å; G443-C446 PolarHBondContact O-N 3.14Å; P444-C446 PolarHBondContact O-N 2.9Å; P444-C446 VanDerWaalsContact O-N 3.1Å |
| 447 | S | 70.9 | Confident | 67.4 | Low | 89 Ų | 89 | 63.4 Ų | 63.4 | 62% | 0.622 | 41% | 0.413 | S | S | * | . | trans | -126.5 | -8.8 | -161.8 | 41.4 | 0 | 0 | 0 | 0 | 117.7 | Y442 P444 | Y442-S447 PolarHBondContact O-N 2.92Å; P444-S447 PolarHBondContact O-OG 2.79Å | ||
| 448 | S | 59.2 | Low | 67.7 | Low | 48 Ų | 48 | 63.7 Ų | 63.7 | 34% | 0.336 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 176.9 | -179.1 | -61.9 | 0 | 0 | 0 | 0 | 112.7 | T441 Y442 | T441-S448 CarbonylContact C-O 3.46Å; T441-S448 WeakPolarHBondContact CA-O 3.29Å; T441-S448 WeakPolarHBondContact CB-O 3.41Å; Y442-S448 VanDerWaalsContact CZ-CB 3.49Å; Y442-S448 PolarHBondContact N-O 3.42Å; Y442-S448 PolarHBondContact O-N 2.03Å |
| 449 | I | 73.7 | Confident | 67.4 | Low | 140 Ų | 140 | 61.4 Ų | 61.4 | 72% | 0.718 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 142.2 | -173.1 | -55.7 | -179.5 | 0 | 0 | 0 | 113 | G440 T441 Y442 | G440-I449 WeakPolarHBondContact O-CA 3.49Å; T441-I449 HydrophobicContact CG2-CG1 4.36Å; Y442-I449 WeakPolarHBondContact CE1-O 3.44Å |
| 450 | C | 69.2 | Low | 67.6 | Low | 24 Ų | 24 | 58.1 Ų | 58.1 | 16% | 0.162 | 37% | 0.365 | C | S | . | . | trans | -104 | 179 | -170.1 | -26.8 | 0 | 0 | 0 | 0 | 117.8 | G440 C458 | G440-C450 PolarHBondContact O-N 3.42Å; G440-C450 VanDerWaalsContact O-N 3.09Å; G440-C450 PolarHBondContact O-SG 3.07Å; G440-C450 VanDerWaalsContact O-SG 3.42Å; C450-C458 HydrophobicContact CB-CB 3.51Å; C450-C458 WeakPolarHBondContact CB-SG 3.47Å; C450-C458 WeakPolarHBondContact SG-CB 3.24Å; C450-C458 CovalentContact SG-SG 2.02Å; C450-C458 PolarHBondContact SG-SG 3.25Å | ||
| 451 | S | 69.6 | Low | 67.5 | Low | 103 Ų | 103 | 59.5 Ų | 59.5 | 72% | 0.72 | 37% | 0.367 | S | S | * | . | trans | -147.7 | 112.2 | 172.2 | -70.1 | 0 | 0 | 0 | 0 | 112.6 | C465 | S451-C465 PolarHBondContact O-SG 2.86Š| ||
| 452 | C | 70 | Confident | 67.1 | Low | 38 Ų | 38 | 61.7 Ų | 61.7 | 26% | 0.257 | 38% | 0.378 | S | S | . | . | trans | -130.7 | 146.3 | -177.3 | -59.4 | 0 | 0 | 0 | 0 | 112.3 | C465 | C452-C465 WeakPolarHBondContact CA-SG 3.25Å; C452-C465 HydrophobicContact CB-CB 3.77Å; C452-C465 WeakPolarHBondContact CB-SG 3.4Å; C452-C465 WeakPolarHBondContact SG-CB 3.32Å; C452-C465 CovalentContact SG-SG 2.03Å; C452-C465 PolarHBondContact SG-SG 3.48Å | ||
| 453 | N | 64.1 | Low | 66.8 | Low | 93 Ų | 93 | 59.4 Ų | 59.4 | 50% | 0.497 | 37% | 0.374 | S | S | . | . | trans | -111.3 | 174.4 | -175.8 | -72.7 | -67.8 | 0 | 0 | 0 | 113.6 | G455 G456 D475 | N453-G455 PolarHBondContact O-N 3.31Å; N453-G456 PolarHBondContact O-N 3.05Å; N453-D475 PolarHBondContact N-O 3Å | ||
| 454 | N | 59.4 | Low | 66.8 | Low | 108 Ų | 108 | 61.3 Ų | 61.3 | 58% | 0.578 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 22.7 | 179.9 | -65.6 | -33.8 | 0 | 0 | 0 | 115.8 | C476 | N454-C476 WeakPolarHBondContact CB-O 3.04Å; N454-C476 PolarHBondContact ND2-O 2.89Å |
| 455 | G | 63.8 | Low | 67.1 | Low | 44 Ų | 44 | 58.7 Ų | 58.7 | 45% | 0.454 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 18.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | N453 K468 | N453-G455 PolarHBondContact O-N 3.31Å; G455-K468 VanDerWaalsContact O-CE 3.27Å; G455-K468 WeakPolarHBondContact O-CE 3.39Å |
| 456 | G | 65.1 | Low | 67.1 | Low | 15 Ų | 15 | 56.2 Ų | 56.2 | 16% | 0.155 | 36% | 0.36 | C | S | . | . | trans | -67.2 | 156.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N453 T466 | N453-G456 PolarHBondContact O-N 3.05Å; G456-T466 CarbonylContact C-O 3.44Å; G456-T466 WeakPolarHBondContact CA-O 3.47Å | ||
| 457 | T | 67.9 | Low | 67.2 | Low | 84 Ų | 84 | 55 Ų | 55 | 52% | 0.515 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 139.1 | -172.7 | -55.8 | 0 | 0 | 0 | 0 | 110.8 | T466 | T457-T466 PolarHBondContact N-O 2.91Å; T457-T466 PolarHBondContact O-N 3.06Å; T457-T466 PolarHBondContact O-OG1 2.99Å |
| 458 | C | 72.6 | Confident | 67.1 | Low | 20 Ų | 20 | 56.7 Ų | 56.7 | 14% | 0.135 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 142.2 | -176.7 | -177.2 | 0 | 0 | 0 | 0 | 114.2 | C450 S464 | C450-C458 HydrophobicContact CB-CB 3.51Å; C450-C458 WeakPolarHBondContact CB-SG 3.47Å; C450-C458 WeakPolarHBondContact SG-CB 3.24Å; C450-C458 CovalentContact SG-SG 2.02Å; C450-C458 PolarHBondContact SG-SG 3.25Å; C458-S464 CarbonylContact C-O 3.5Å; C458-S464 WeakPolarHBondContact CA-O 3.36Å |
| 459 | S | 66.3 | Low | 67.6 | Low | 22 Ų | 22 | 59.9 Ų | 59.9 | 15% | 0.154 | 36% | 0.357 | C | S | . | . | trans | -66.2 | 124.6 | 164.3 | 170 | 0 | 0 | 0 | 0 | 112 | V461 D462 G463 S464 | S459-V461 PolarHBondContact O-N 2.95Å; S459-V461 PolarHBondContact OG-N 3.22Å; S459-D462 WeakPolarHBondContact CB-OD1 3.49Å; S459-D462 PolarHBondContact OG-OD1 3.46Å; S459-G463 PolarHBondContact O-N 3.28Å; S459-S464 VanDerWaalsContact CB-O 3.3Å; S459-S464 WeakPolarHBondContact CB-O 3.23Å; S459-S464 VanDerWaalsContact CB-OG 3.31Å; S459-S464 WeakPolarHBondContact CB-OG 3.02Å; S459-S464 PolarHBondContact N-O 2.81Å | ||
| 460 | P | 65.3 | Low | 67.3 | Low | 33 Ų | 33 | 53.5 Ų | 53.5 | 21% | 0.214 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -1.4 | 177 | 29.1 | -34.2 | 0 | 0 | 0 | 114.6 | G427 C437 T441 Y442 G443 | G427-P460 WeakPolarHBondContact CA-O 3.28Å; C437-P460 HydrophobicContact CB-CB 3.47Å; C437-P460 VanDerWaalsContact CB-CB 3.47Å; C437-P460 PolarHBondContact SG-O 2.03Å; C437-P460 VanDerWaalsContact SG-O 3.32Å; T441-P460 WeakPolarHBondContact O-CA 3.42Å; Y442-P460 WeakPolarHBondContact CA-O 3.4Å; Y442-P460 WeakPolarHBondContact CB-O 3.13Å; G443-P460 PolarHBondContact N-O 2.92Å |
| 461 | V | 64.9 | Low | 67.5 | Low | 55 Ų | 55 | 57.6 Ų | 57.6 | 33% | 0.333 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -51 | -174.6 | -175.9 | 0 | 0 | 0 | 0 | 112 | F428 G443 S459 | F428-V461 HydrophobicContact CE2-CG2 3.6Å; F428-V461 HydrophobicContact CZ-CG2 3.83Å; G443-V461 PolarHBondContact N-O 3.18Å; S459-V461 PolarHBondContact O-N 2.95Å; S459-V461 PolarHBondContact OG-N 3.22Å |
| 462 | D | 66.6 | Low | 67.4 | Low | 88 Ų | 88 | 56 Ų | 56 | 47% | 0.471 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.5 | -14.7 | -160.6 | 65.2 | -33.5 | 0 | 0 | 0 | 113.7 | Y442 S459 S464 | Y442-D462 VanDerWaalsContact CE2-C 3.44Å; Y442-D462 WeakPolarHBondContact CE2-O 3.38Å; S459-D462 WeakPolarHBondContact CB-OD1 3.49Å; S459-D462 PolarHBondContact OG-OD1 3.46Å; D462-S464 VanDerWaalsContact CG-OG 3.25Å; D462-S464 PolarHBondContact OD1-N 3.09Å; D462-S464 PolarHBondContact OD1-OG 2.97Å; D462-S464 WeakPolarHBondContact OD2-CB 3.39Å; D462-S464 PolarHBondContact OD2-OG 3.14Å |
| 463 | G | 68.5 | Low | 67.2 | Low | 18 Ų | 18 | 55.6 Ų | 55.6 | 19% | 0.186 | 32% | 0.321 | C | S | . | . | S | Bend | trans | 97.8 | 3.2 | 179 | 0 | 0 | 0 | 0 | 0 | 115.8 | S459 | S459-G463 PolarHBondContact O-N 3.28Š|
| 464 | S | 66.4 | Low | 67.2 | Low | 45 Ų | 45 | 58 Ų | 58 | 32% | 0.315 | 33% | 0.333 | S | S | . | . | trans | -71.7 | 163.7 | 179.4 | 56.1 | 0 | 0 | 0 | 0 | 113.5 | C458 S459 D462 | C458-S464 CarbonylContact C-O 3.5Å; C458-S464 WeakPolarHBondContact CA-O 3.36Å; S459-S464 VanDerWaalsContact CB-O 3.3Å; S459-S464 WeakPolarHBondContact CB-O 3.23Å; S459-S464 VanDerWaalsContact CB-OG 3.31Å; S459-S464 WeakPolarHBondContact CB-OG 3.02Å; S459-S464 PolarHBondContact N-O 2.81Å; D462-S464 VanDerWaalsContact CG-OG 3.25Å; D462-S464 PolarHBondContact OD1-N 3.09Å; D462-S464 PolarHBondContact OD1-OG 2.97Å; D462-S464 WeakPolarHBondContact OD2-CB 3.39Å; D462-S464 PolarHBondContact OD2-OG 3.14Å | ||
| 465 | C | 71.8 | Confident | 67.8 | Low | 17 Ų | 17 | 57 Ų | 57 | 12% | 0.115 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 147.8 | -176 | -53.5 | 0 | 0 | 0 | 0 | 114.1 | S451 C452 L474 | S451-C465 PolarHBondContact O-SG 2.86Å; C452-C465 WeakPolarHBondContact CA-SG 3.25Å; C452-C465 HydrophobicContact CB-CB 3.77Å; C452-C465 WeakPolarHBondContact CB-SG 3.4Å; C452-C465 WeakPolarHBondContact SG-CB 3.32Å; C452-C465 CovalentContact SG-SG 2.03Å; C452-C465 PolarHBondContact SG-SG 3.48Å; C465-L474 VanDerWaalsContact CB-O 3.23Å; C465-L474 WeakPolarHBondContact CB-O 3.04Å |
| 466 | T | 66.7 | Low | 68 | Low | 65 Ų | 65 | 55 Ų | 55 | 40% | 0.399 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 142.7 | 174.4 | 57.9 | 0 | 0 | 0 | 0 | 110.4 | G456 T457 C476 | G456-T466 CarbonylContact C-O 3.44Å; G456-T466 WeakPolarHBondContact CA-O 3.47Å; T457-T466 PolarHBondContact N-O 2.91Å; T457-T466 PolarHBondContact O-N 3.06Å; T457-T466 PolarHBondContact O-OG1 2.99Å; T466-C476 PolarHBondContact O-SG 3.2Å; T466-C476 VanDerWaalsContact O-SG 3.37Å |
| 467 | C | 68.9 | Low | 68.4 | Low | 7 Ų | 7 | 58.1 Ų | 58.1 | 5% | 0.047 | 32% | 0.323 | C | S | . | . | trans | -115.2 | 152.6 | -157.4 | -52.8 | 0 | 0 | 0 | 0 | 113.3 | W471 G473 C476 L487 N488 | C467-W471 HydrophobicContact CB-CB 4.33Å; C467-W471 VanDerWaalsContact CB-O 3.28Å; C467-W471 WeakPolarHBondContact CB-O 3.25Å; C467-G473 PolarHBondContact SG-O 2.02Å; C467-G473 VanDerWaalsContact SG-O 3.39Å; C467-C476 WeakPolarHBondContact CA-SG 3.39Å; C467-C476 HydrophobicContact CB-CB 3.73Å; C467-C476 WeakPolarHBondContact CB-SG 2.98Å; C467-C476 WeakPolarHBondContact SG-CA 3.4Å; C467-C476 WeakPolarHBondContact SG-CB 3.38Å; C467-C476 CovalentContact SG-SG 2.04Å; C467-C476 PolarHBondContact SG-SG 3.08Å; C467-L487 WeakPolarHBondContact O-CD1 3.35Å; C467-N488 PolarHBondContact N-OD1 3.41Å; C467-N488 VanDerWaalsContact N-OD1 3.09Å; C467-N488 PolarHBondContact O-OD1 2.02Å | ||
| 468 | K | 68.5 | Low | 68.4 | Low | 123 Ų | 123 | 58.8 Ų | 58.8 | 54% | 0.535 | 32% | 0.323 | S | S | . | . | trans | -74.5 | 160.4 | 175.8 | -73.5 | -171.3 | 170.5 | -174.5 | 0 | 111.4 | G455 W471 | G455-K468 VanDerWaalsContact O-CE 3.27Å; G455-K468 WeakPolarHBondContact O-CE 3.39Å; K468-W471 WeakPolarHBondContact O-CB 3.46Å; K468-W471 PolarHBondContact O-N 3.35Å | ||
| 469 | E | 69.5 | Low | 68.3 | Low | 116 Ų | 116 | 61.7 Ų | 61.7 | 54% | 0.542 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | 135.7 | -176.2 | 64.1 | -147 | 158.9 | 0 | 0 | 113.8 | W471 G486 I504 | E469-W471 VanDerWaalsContact C-N 3.3Å; E469-W471 PolarHBondContact O-N 3.43Å; E469-G486 WeakPolarHBondContact CA-O 3.03Å; E469-I504 HydrophobicContact CG-CG2 4.4Å |
| 470 | G | 67.9 | Low | 68.7 | Low | 5 Ų | 5 | 61.5 Ų | 61.5 | 5% | 0.052 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | -4.3 | -171 | 0 | 0 | 0 | 0 | 0 | 115.7 | P479 C480 G486 P503 | G470-P479 CarbonylContact O-C 3.55Å; G470-P479 VanDerWaalsContact O-CA 3.29Å; G470-P479 WeakPolarHBondContact O-CA 3.31Å; G470-C480 VanDerWaalsContact CA-SG 3.55Å; G470-C480 PolarHBondContact O-N 2.95Å; G470-G486 PolarHBondContact N-O 3.48Å; G470-P503 WeakPolarHBondContact CA-O 3.31Å |
| 471 | W | 73.6 | Confident | 69 | Low | 111 Ų | 111 | 63 Ų | 63 | 42% | 0.42 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 155 | -178.2 | -55.9 | 85.3 | 0 | 0 | 0 | 114.2 | C467 K468 E469 L478 | C467-W471 HydrophobicContact CB-CB 4.33Å; C467-W471 VanDerWaalsContact CB-O 3.28Å; C467-W471 WeakPolarHBondContact CB-O 3.25Å; K468-W471 WeakPolarHBondContact O-CB 3.46Å; K468-W471 PolarHBondContact O-N 3.35Å; E469-W471 VanDerWaalsContact C-N 3.3Å; E469-W471 PolarHBondContact O-N 3.43Å; W471-L478 CarbonylContact C-O 3.39Å; W471-L478 VanDerWaalsContact CA-O 3.28Å; W471-L478 WeakPolarHBondContact CA-O 2.98Å |
| 472 | Q | 68.1 | Low | 69.2 | Low | 69 Ų | 69 | 66.6 Ų | 66.6 | 32% | 0.322 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | -174.8 | -177.6 | 56.1 | 167.2 | -15.6 | 0 | 0 | 111.2 | T477 L478 P479 | Q472-T477 PolarHBondContact O-N 3.42Å; Q472-L478 HydrophobicContact CG-CB 4.24Å; Q472-L478 PolarHBondContact N-O 2.85Å; Q472-L478 PolarHBondContact O-N 3.32Å; Q472-P479 WeakPolarHBondContact CG-O 3.36Å; Q472-P479 PolarHBondContact NE2-O 3.23Å |
| 473 | G | 65.9 | Low | 69.4 | Low | 29 Ų | 29 | 64.4 Ų | 64.4 | 30% | 0.299 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | 156.9 | 180 | 0 | 0 | 0 | 0 | 0 | 113.4 | C467 D475 C476 | C467-G473 PolarHBondContact SG-O 2.02Å; C467-G473 VanDerWaalsContact SG-O 3.39Å; G473-D475 VanDerWaalsContact C-N 3.28Å; G473-D475 PolarHBondContact O-N 3.03Å; G473-D475 VanDerWaalsContact O-N 3.08Å; G473-C476 PolarHBondContact O-N 2.99Å |
| 474 | L | 64.7 | Low | 69.9 | Low | 145 Ų | 145 | 65.2 Ų | 65.2 | 76% | 0.759 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -33 | -163 | -66.1 | 169.6 | 0 | 0 | 0 | 115.7 | C465 | C465-L474 VanDerWaalsContact CB-O 3.23Å; C465-L474 WeakPolarHBondContact CB-O 3.04Å |
| 475 | D | 70.4 | Confident | 70.4 | Confident | 87 Ų | 87 | 66.5 Ų | 66.5 | 47% | 0.465 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | 9.9 | 178.3 | -61.2 | -8.2 | 0 | 0 | 0 | 112.7 | N453 G473 T477 | N453-D475 PolarHBondContact N-O 3Å; G473-D475 VanDerWaalsContact C-N 3.28Å; G473-D475 PolarHBondContact O-N 3.03Å; G473-D475 VanDerWaalsContact O-N 3.08Å; D475-T477 HydrophobicContact CB-CG2 4.49Å |
| 476 | C | 68.1 | Low | 70.3 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.014 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 57.9 | -176.3 | -56.2 | 0 | 0 | 0 | 0 | 115.8 | N454 T466 C467 G473 | N454-C476 WeakPolarHBondContact CB-O 3.04Å; N454-C476 PolarHBondContact ND2-O 2.89Å; T466-C476 PolarHBondContact O-SG 3.2Å; T466-C476 VanDerWaalsContact O-SG 3.37Å; C467-C476 WeakPolarHBondContact CA-SG 3.39Å; C467-C476 HydrophobicContact CB-CB 3.73Å; C467-C476 WeakPolarHBondContact CB-SG 2.98Å; C467-C476 WeakPolarHBondContact SG-CA 3.4Å; C467-C476 WeakPolarHBondContact SG-CB 3.38Å; C467-C476 CovalentContact SG-SG 2.04Å; C467-C476 PolarHBondContact SG-SG 3.08Å; G473-C476 PolarHBondContact O-N 2.99Å |
| 477 | T | 74.5 | Confident | 70.4 | Confident | 80 Ų | 80 | 68 Ų | 68 | 49% | 0.491 | 38% | 0.38 | S | S | . | . | trans | -126.4 | -3.5 | -175.3 | 53.5 | 0 | 0 | 0 | 0 | 115.1 | Q472 D475 | Q472-T477 PolarHBondContact O-N 3.42Å; D475-T477 HydrophobicContact CB-CG2 4.49Å | ||
| 478 | L | 67.1 | Low | 70.3 | Confident | 98 Ų | 98 | 71.4 Ų | 71.4 | 51% | 0.513 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 144.4 | -178.8 | -59.7 | 174.9 | 0 | 0 | 0 | 110.9 | W471 Q472 | W471-L478 CarbonylContact C-O 3.39Å; W471-L478 VanDerWaalsContact CA-O 3.28Å; W471-L478 WeakPolarHBondContact CA-O 2.98Å; Q472-L478 HydrophobicContact CG-CB 4.24Å; Q472-L478 PolarHBondContact N-O 2.85Å; Q472-L478 PolarHBondContact O-N 3.32Å |
| 479 | P | 70.9 | Confident | 70.4 | Confident | 81 Ų | 81 | 66.1 Ų | 66.1 | 53% | 0.526 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 162.1 | 175.8 | 33.2 | -35.5 | 0 | 0 | 0 | 112.5 | G470 Q472 | G470-P479 CarbonylContact O-C 3.55Å; G470-P479 VanDerWaalsContact O-CA 3.29Å; G470-P479 WeakPolarHBondContact O-CA 3.31Å; Q472-P479 WeakPolarHBondContact CG-O 3.36Å; Q472-P479 PolarHBondContact NE2-O 3.23Å |
| 480 | C | 74.9 | Confident | 70.5 | Confident | 18 Ų | 18 | 66.4 Ų | 66.4 | 12% | 0.122 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 153.9 | 179 | -76.2 | 0 | 0 | 0 | 0 | 114.9 | G470 C489 P503 | G470-C480 VanDerWaalsContact CA-SG 3.55Å; G470-C480 PolarHBondContact O-N 2.95Å; C480-C489 WeakPolarHBondContact CA-SG 3.42Å; C480-C489 HydrophobicContact CB-CB 3.68Å; C480-C489 WeakPolarHBondContact CB-SG 3.49Å; C480-C489 VanDerWaalsContact SG-CA 3.56Å; C480-C489 WeakPolarHBondContact SG-CB 3.23Å; C480-C489 CovalentContact SG-SG 2.03Å; C480-C489 PolarHBondContact SG-SG 3.37Å; C480-P503 HydrophobicContact CB-CB 3.87Å |
| 481 | P | 71.6 | Confident | 70.7 | Confident | 63 Ų | 63 | 71.1 Ų | 71.1 | 41% | 0.409 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -81.6 | 152.3 | 177.8 | 34.2 | -29.5 | 0 | 0 | 0 | 112.1 | G483 T484 C489 | P481-G483 PolarHBondContact O-N 3.04Å; P481-T484 PolarHBondContact O-N 2.6Å; P481-C489 HydrophobicContact CG-CB 4.49Å |
| 482 | S | 68.8 | Low | 70.9 | Confident | 132 Ų | 132 | 69.9 Ų | 69.9 | 92% | 0.923 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 129.8 | -177 | -49.8 | 0 | 0 | 0 | 0 | 113 | ||
| 483 | G | 70.1 | Confident | 71.4 | Confident | 41 Ų | 41 | 68 Ų | 68 | 42% | 0.423 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.7 | -8.3 | 178 | 0 | 0 | 0 | 0 | 0 | 114.8 | P481 C493 | P481-G483 PolarHBondContact O-N 3.04Å; G483-C493 WeakPolarHBondContact O-CB 3.5Å; G483-C493 PolarHBondContact O-N 2.77Å; G483-C493 PolarHBondContact O-SG 2.73Å |
| 484 | T | 79.3 | Confident | 72.1 | Confident | 36 Ų | 36 | 72 Ų | 72 | 22% | 0.221 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 159.7 | 168.9 | 70.7 | 0 | 0 | 0 | 0 | 112.4 | P481 C489 E491 | P481-T484 PolarHBondContact O-N 2.6Å; T484-C489 WeakPolarHBondContact CB-O 3.23Å; T484-C489 WeakPolarHBondContact OG1-CB 3.24Å; T484-C489 PolarHBondContact OG1-O 2.73Å; T484-E491 CarbonylContact C-O 3.5Å; T484-E491 WeakPolarHBondContact CA-O 3.38Å; T484-E491 WeakPolarHBondContact CB-O 3.15Å |
| 485 | W | 77.8 | Confident | 72.8 | Confident | 71 Ų | 71 | 66.1 Ų | 66.1 | 27% | 0.269 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 176.1 | -169 | 66.7 | -78.2 | 0 | 0 | 0 | 112.7 | C489 N490 E491 S492 S502 P503 D505 G506 | W485-C489 CarbonylContact O-C 3.54Å; W485-C489 WeakPolarHBondContact O-CA 3.01Å; W485-N490 PolarHBondContact O-N 2.84Å; W485-E491 HydrophobicContact CD2-CB 3.79Å; W485-E491 VanDerWaalsContact CE2-CB 3.49Å; W485-E491 HydrophobicContact CE3-CB 4.47Å; W485-E491 HydrophobicContact CG-CB 4Å; W485-E491 HydrophobicContact CZ2-CB 4Å; W485-E491 HydrophobicContact CZ2-CG 4.42Å; W485-E491 PolarHBondContact N-O 3.36Å; W485-E491 PolarHBondContact O-N 3.26Å; W485-S492 PolarHBondContact NE1-O 2.84Å; W485-S502 VanDerWaalsContact CB-O 3.32Å; W485-S502 WeakPolarHBondContact CB-O 3.39Å; W485-P503 VanDerWaalsContact CA-O 3.31Å; W485-P503 WeakPolarHBondContact CA-O 3.02Å; W485-D505 VanDerWaalsContact CZ3-C 3.41Å; W485-G506 VanDerWaalsContact CD2-N 3.34Å; W485-G506 VanDerWaalsContact CE3-N 3.26Å |
| 486 | G | 69.8 | Low | 73.1 | Confident | 6 Ų | 6 | 63.5 Ų | 63.5 | 6% | 0.062 | 39% | 0.385 | C | S | . | . | S | Bend | trans | 76.3 | -158.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E469 G470 N488 C489 P503 | E469-G486 WeakPolarHBondContact CA-O 3.03Å; G470-G486 PolarHBondContact N-O 3.48Å; G486-N488 PolarHBondContact O-N 3.17Å; G486-C489 PolarHBondContact O-N 3.16Å; G486-P503 PolarHBondContact N-O 2.04Å |
| 487 | L | 68.1 | Low | 73.3 | Confident | 107 Ų | 107 | 67 Ų | 67 | 56% | 0.56 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -65.8 | 126.7 | -175.5 | -164 | 78.9 | 0 | 0 | 0 | 111.6 | C467 C489 N490 | C467-L487 WeakPolarHBondContact O-CD1 3.35Å; L487-C489 PolarHBondContact O-N 3.42Å; L487-N490 PolarHBondContact O-N 2.9Å |
| 488 | N | 66 | Low | 73 | Confident | 80 Ų | 80 | 66.4 Ų | 66.4 | 43% | 0.428 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | 48.4 | 24.5 | -171.7 | -56.9 | -50.5 | 0 | 0 | 0 | 114.1 | C467 G486 N490 | C467-N488 PolarHBondContact N-OD1 3.41Å; C467-N488 VanDerWaalsContact N-OD1 3.09Å; C467-N488 PolarHBondContact O-OD1 2.02Å; G486-N488 PolarHBondContact O-N 3.17Å; N488-N490 VanDerWaalsContact C-N 3.3Å; N488-N490 PolarHBondContact O-N 3.08Å |
| 489 | C | 70.4 | Confident | 73.4 | Confident | 11 Ų | 11 | 62.4 Ų | 62.4 | 7% | 0.074 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | 60.1 | 34.3 | 177.5 | -30.1 | 0 | 0 | 0 | 0 | 114 | C480 P481 T484 W485 G486 L487 | C480-C489 WeakPolarHBondContact CA-SG 3.42Å; C480-C489 HydrophobicContact CB-CB 3.68Å; C480-C489 WeakPolarHBondContact CB-SG 3.49Å; C480-C489 VanDerWaalsContact SG-CA 3.56Å; C480-C489 WeakPolarHBondContact SG-CB 3.23Å; C480-C489 CovalentContact SG-SG 2.03Å; C480-C489 PolarHBondContact SG-SG 3.37Å; P481-C489 HydrophobicContact CG-CB 4.49Å; T484-C489 WeakPolarHBondContact CB-O 3.23Å; T484-C489 WeakPolarHBondContact OG1-CB 3.24Å; T484-C489 PolarHBondContact OG1-O 2.73Å; W485-C489 CarbonylContact O-C 3.54Å; W485-C489 WeakPolarHBondContact O-CA 3.01Å; G486-C489 PolarHBondContact O-N 3.16Å; L487-C489 PolarHBondContact O-N 3.42Å |
| 490 | N | 72.5 | Confident | 73.7 | Confident | 123 Ų | 123 | 61.7 Ų | 61.7 | 66% | 0.658 | 40% | 0.395 | S | S | * | . | trans | -87.8 | -26.4 | -172.7 | -172 | 79.1 | 0 | 0 | 0 | 114.3 | W485 L487 N488 | W485-N490 PolarHBondContact O-N 2.84Å; L487-N490 PolarHBondContact O-N 2.9Å; N488-N490 VanDerWaalsContact C-N 3.3Å; N488-N490 PolarHBondContact O-N 3.08Å | ||
| 491 | E | 71.4 | Confident | 73.9 | Confident | 103 Ų | 103 | 62.1 Ų | 62.1 | 48% | 0.481 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 136.6 | 179.2 | -66.8 | -53.9 | 139.1 | 0 | 0 | 110.6 | T484 W485 | T484-E491 CarbonylContact C-O 3.5Å; T484-E491 WeakPolarHBondContact CA-O 3.38Å; T484-E491 WeakPolarHBondContact CB-O 3.15Å; W485-E491 HydrophobicContact CD2-CB 3.79Å; W485-E491 VanDerWaalsContact CE2-CB 3.49Å; W485-E491 HydrophobicContact CE3-CB 4.47Å; W485-E491 HydrophobicContact CG-CB 4Å; W485-E491 HydrophobicContact CZ2-CB 4Å; W485-E491 HydrophobicContact CZ2-CG 4.42Å; W485-E491 PolarHBondContact N-O 3.36Å; W485-E491 PolarHBondContact O-N 3.26Å |
| 492 | S | 78.8 | Confident | 74.1 | Confident | 85 Ų | 85 | 60.5 Ų | 60.5 | 59% | 0.594 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 138.9 | 179.9 | -65.9 | 0 | 0 | 0 | 0 | 110.6 | W485 T494 | W485-S492 PolarHBondContact NE1-O 2.84Å; S492-T494 PolarHBondContact O-N 3.28Å |
| 493 | C | 77.8 | Confident | 74.1 | Confident | 29 Ų | 29 | 56.8 Ų | 56.8 | 20% | 0.196 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 124.1 | 179.4 | -60.4 | 0 | 0 | 0 | 0 | 111.1 | G483 C495 C501 | G483-C493 WeakPolarHBondContact O-CB 3.5Å; G483-C493 PolarHBondContact O-N 2.77Å; G483-C493 PolarHBondContact O-SG 2.73Å; C493-C495 PolarHBondContact O-N 3Å; C493-C501 HydrophobicContact CB-CB 3.47Å; C493-C501 VanDerWaalsContact CB-CB 3.47Å; C493-C501 WeakPolarHBondContact CB-SG 3.4Å; C493-C501 WeakPolarHBondContact SG-CB 3.39Å; C493-C501 CovalentContact SG-SG 2.01Å; C493-C501 PolarHBondContact SG-SG 2.87Å |
| 494 | T | 80.6 | Confident | 74.2 | Confident | 115 Ų | 115 | 59.4 Ų | 59.4 | 71% | 0.706 | 36% | 0.364 | S | S | * | . | trans | -83.4 | 11.2 | -179 | 53.7 | 0 | 0 | 0 | 0 | 113.8 | S492 A496 | S492-T494 PolarHBondContact O-N 3.28Å; T494-A496 PolarHBondContact O-N 2.84Å | ||
| 495 | C | 80.1 | Confident | 74.1 | Confident | 21 Ų | 21 | 62.1 Ų | 62.1 | 14% | 0.142 | 38% | 0.377 | C | S | . | . | trans | -73.6 | 122.9 | -172.4 | -45.6 | 0 | 0 | 0 | 0 | 111.3 | C493 A499 C508 | C493-C495 PolarHBondContact O-N 3Å; C495-A499 HydrophobicContact CB-CB 3.79Å; C495-C508 WeakPolarHBondContact CA-SG 3.46Å; C495-C508 HydrophobicContact CB-CB 3.73Å; C495-C508 WeakPolarHBondContact CB-SG 3.37Å; C495-C508 WeakPolarHBondContact SG-CA 3.22Å; C495-C508 WeakPolarHBondContact SG-CB 3.03Å; C495-C508 CovalentContact SG-SG 2.03Å; C495-C508 PolarHBondContact SG-SG 2.92Å | ||
| 496 | A | 76.3 | Confident | 73.9 | Confident | 32 Ų | 32 | 59.2 Ų | 59.2 | 26% | 0.264 | 37% | 0.369 | S | S | . | . | trans | -76.4 | 170.6 | -180 | 0 | 0 | 0 | 0 | 0 | 112.6 | T494 G498 A499 T518 | T494-A496 PolarHBondContact O-N 2.84Å; A496-G498 PolarHBondContact O-N 2.81Å; A496-A499 VanDerWaalsContact O-CB 3.24Å; A496-A499 WeakPolarHBondContact O-CB 3.33Å; A496-A499 PolarHBondContact O-N 2.95Å; A496-T518 WeakPolarHBondContact CB-O 3.35Å; A496-T518 PolarHBondContact N-O 2.77Å | ||
| 497 | N | 71.8 | Confident | 74.4 | Confident | 75 Ų | 75 | 62 Ų | 62 | 40% | 0.401 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 29 | 165 | -58.2 | -53.1 | 0 | 0 | 0 | 116.3 | A499 T511 W514 C519 | N497-A499 VanDerWaalsContact C-N 3.3Å; N497-A499 PolarHBondContact O-N 2.96Å; N497-T511 PolarHBondContact O-OG1 3.06Å; N497-W514 HydrophobicContact CB-CD2 3.74Å; N497-W514 HydrophobicContact CB-CE3 4.42Å; N497-W514 HydrophobicContact CB-CG 3.78Å; N497-W514 HydrophobicContact CB-CZ2 4.31Å; N497-W514 VanDerWaalsContact CG-CE2 3.47Å; N497-W514 VanDerWaalsContact ND2-CD2 3.3Å; N497-W514 WeakPolarHBondContact ND2-CZ3 3.04Å; N497-C519 PolarHBondContact ND2-O 2.91Å |
| 498 | G | 69.8 | Low | 75 | Confident | 68 Ų | 68 | 58.4 Ų | 58.4 | 70% | 0.701 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | 12.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | A496 T511 | A496-G498 PolarHBondContact O-N 2.81Å; G498-T511 WeakPolarHBondContact O-CG2 3.46Å |
| 499 | A | 74.4 | Confident | 75.6 | Confident | 13 Ų | 13 | 58.3 Ų | 58.3 | 11% | 0.107 | 38% | 0.377 | C | S | . | . | trans | -58.8 | 135.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | C495 A496 N497 C519 | C495-A499 HydrophobicContact CB-CB 3.79Å; A496-A499 VanDerWaalsContact O-CB 3.24Å; A496-A499 WeakPolarHBondContact O-CB 3.33Å; A496-A499 PolarHBondContact O-N 2.95Å; N497-A499 VanDerWaalsContact C-N 3.3Å; N497-A499 PolarHBondContact O-N 2.96Å; A499-C519 HydrophobicContact CB-CB 3.85Å; A499-C519 VanDerWaalsContact CB-SG 3.53Å | ||
| 500 | A | 76.8 | Confident | 76.2 | Confident | 66 Ų | 66 | 58.5 Ų | 58.5 | 55% | 0.545 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 139.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | S509 | A500-S509 PolarHBondContact N-O 3.45Å; A500-S509 VanDerWaalsContact N-O 3.16Å; A500-S509 WeakPolarHBondContact O-CA 3.45Å; A500-S509 WeakPolarHBondContact O-CB 3.5Å; A500-S509 PolarHBondContact O-N 2.86Å |
| 501 | C | 79.9 | Confident | 76.5 | Confident | 27 Ų | 27 | 54.5 Ų | 54.5 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 153.7 | -178.9 | 55.5 | 0 | 0 | 0 | 0 | 113.5 | C493 S507 | C493-C501 HydrophobicContact CB-CB 3.47Å; C493-C501 VanDerWaalsContact CB-CB 3.47Å; C493-C501 WeakPolarHBondContact CB-SG 3.4Å; C493-C501 WeakPolarHBondContact SG-CB 3.39Å; C493-C501 CovalentContact SG-SG 2.01Å; C493-C501 PolarHBondContact SG-SG 2.87Å; C501-S507 CarbonylContact C-O 3.56Å; C501-S507 WeakPolarHBondContact CA-O 3.03Å |
| 502 | S | 76.3 | Confident | 76.9 | Confident | 30 Ų | 30 | 52.1 Ų | 52.1 | 21% | 0.21 | 35% | 0.351 | C | S | . | . | trans | -67 | 126.6 | 166.6 | 166.7 | 0 | 0 | 0 | 0 | 111.2 | W485 I504 D505 G506 S507 | W485-S502 VanDerWaalsContact CB-O 3.32Å; W485-S502 WeakPolarHBondContact CB-O 3.39Å; S502-I504 PolarHBondContact O-N 3.17Å; S502-I504 PolarHBondContact OG-N 2.86Å; S502-D505 WeakPolarHBondContact CB-OD1 3.36Å; S502-D505 PolarHBondContact OG-N 2.97Å; S502-D505 PolarHBondContact OG-OD1 3.37Å; S502-G506 WeakPolarHBondContact O-CA 3.16Å; S502-G506 PolarHBondContact O-N 2.99Å; S502-S507 WeakPolarHBondContact CB-OG 3Å; S502-S507 PolarHBondContact N-O 2.83Å | ||
| 503 | P | 69.1 | Low | 76.8 | Confident | 53 Ų | 53 | 48 Ų | 48 | 34% | 0.344 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -6.3 | 178.9 | 28.5 | -34.4 | 0 | 0 | 0 | 114 | G470 C480 W485 G486 | G470-P503 WeakPolarHBondContact CA-O 3.31Å; C480-P503 HydrophobicContact CB-CB 3.87Å; W485-P503 VanDerWaalsContact CA-O 3.31Å; W485-P503 WeakPolarHBondContact CA-O 3.02Å; G486-P503 PolarHBondContact N-O 2.04Å |
| 504 | I | 70.8 | Confident | 77 | Confident | 96 Ų | 96 | 49.7 Ų | 49.7 | 49% | 0.492 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -49.6 | -177.5 | -63.7 | 172.9 | 0 | 0 | 0 | 110.7 | E469 S502 | E469-I504 HydrophobicContact CG-CG2 4.4Å; S502-I504 PolarHBondContact O-N 3.17Å; S502-I504 PolarHBondContact OG-N 2.86Å |
| 505 | D | 78.6 | Confident | 77.1 | Confident | 94 Ų | 94 | 47.3 Ų | 47.3 | 50% | 0.503 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.1 | 7.5 | -169.8 | 68.7 | -4.5 | 0 | 0 | 0 | 114.5 | W485 S502 S507 | W485-D505 VanDerWaalsContact CZ3-C 3.41Å; S502-D505 WeakPolarHBondContact CB-OD1 3.36Å; S502-D505 PolarHBondContact OG-N 2.97Å; S502-D505 PolarHBondContact OG-OD1 3.37Å; D505-S507 PolarHBondContact O-N 2.03Å; D505-S507 VanDerWaalsContact O-N 3.07Å; D505-S507 WeakPolarHBondContact OD1-CB 3.38Å; D505-S507 PolarHBondContact OD1-N 2.84Å; D505-S507 PolarHBondContact OD1-OG 3.18Å |
| 506 | G | 73.5 | Confident | 76.9 | Confident | 10 Ų | 10 | 47.6 Ų | 47.6 | 10% | 0.103 | 32% | 0.315 | C | S | . | . | trans | 72.7 | -2.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | W485 S502 C508 | W485-G506 VanDerWaalsContact CD2-N 3.34Å; W485-G506 VanDerWaalsContact CE3-N 3.26Å; S502-G506 WeakPolarHBondContact O-CA 3.16Å; S502-G506 PolarHBondContact O-N 2.99Å; G506-C508 PolarHBondContact O-N 3.28Å | ||
| 507 | S | 79.8 | Confident | 76.9 | Confident | 64 Ų | 64 | 53.6 Ų | 53.6 | 45% | 0.448 | 34% | 0.342 | S | S | . | . | trans | -56.9 | 133 | -176.4 | 55.4 | 0 | 0 | 0 | 0 | 112.5 | C501 S502 D505 | C501-S507 CarbonylContact C-O 3.56Å; C501-S507 WeakPolarHBondContact CA-O 3.03Å; S502-S507 WeakPolarHBondContact CB-OG 3Å; S502-S507 PolarHBondContact N-O 2.83Å; D505-S507 PolarHBondContact O-N 2.03Å; D505-S507 VanDerWaalsContact O-N 3.07Å; D505-S507 WeakPolarHBondContact OD1-CB 3.38Å; D505-S507 PolarHBondContact OD1-N 2.84Å; D505-S507 PolarHBondContact OD1-OG 3.18Å | ||
| 508 | C | 80.2 | Confident | 77.3 | Confident | 32 Ų | 32 | 52.1 Ų | 52.1 | 22% | 0.216 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 120.6 | -171.5 | -60.7 | 0 | 0 | 0 | 0 | 112.4 | C495 G506 D517 | C495-C508 WeakPolarHBondContact CA-SG 3.46Å; C495-C508 HydrophobicContact CB-CB 3.73Å; C495-C508 WeakPolarHBondContact CB-SG 3.37Å; C495-C508 WeakPolarHBondContact SG-CA 3.22Å; C495-C508 WeakPolarHBondContact SG-CB 3.03Å; C495-C508 CovalentContact SG-SG 2.03Å; C495-C508 PolarHBondContact SG-SG 2.92Å; G506-C508 PolarHBondContact O-N 3.28Å; C508-D517 WeakPolarHBondContact CB-O 3.29Å |
| 509 | S | 79.6 | Confident | 77.8 | Confident | 78 Ų | 78 | 48.9 Ų | 48.9 | 55% | 0.545 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 98.9 | 167 | 178.9 | 0 | 0 | 0 | 0 | 109.2 | A500 | A500-S509 PolarHBondContact N-O 3.45Å; A500-S509 VanDerWaalsContact N-O 3.16Å; A500-S509 WeakPolarHBondContact O-CA 3.45Å; A500-S509 WeakPolarHBondContact O-CB 3.5Å; A500-S509 PolarHBondContact O-N 2.86Å |
| 510 | C | 83.1 | Confident | 78.1 | Confident | 14 Ų | 14 | 54.1 Ų | 54.1 | 10% | 0.095 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 143.4 | -174.7 | -56.5 | 0 | 0 | 0 | 0 | 113.8 | G516 C519 L530 | C510-G516 PolarHBondContact SG-O 2.65Å; C510-C519 WeakPolarHBondContact CA-SG 3.45Å; C510-C519 HydrophobicContact CB-CB 3.72Å; C510-C519 WeakPolarHBondContact CB-SG 3.35Å; C510-C519 VanDerWaalsContact SG-CA 3.52Å; C510-C519 WeakPolarHBondContact SG-CB 3.44Å; C510-C519 CovalentContact SG-SG 2.04Å; C510-C519 PolarHBondContact SG-SG 3.43Å; C510-L530 WeakPolarHBondContact O-CD1 3.32Å |
| 511 | T | 79 | Confident | 78.3 | Confident | 39 Ų | 39 | 55.5 Ų | 55.5 | 24% | 0.239 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 156.3 | 166.8 | 33.7 | 0 | 0 | 0 | 0 | 110.8 | N497 G498 W514 | N497-T511 PolarHBondContact O-OG1 3.06Å; G498-T511 WeakPolarHBondContact O-CG2 3.46Å; T511-W514 PolarHBondContact O-N 2.83Å |
| 512 | P | 79.6 | Confident | 78.1 | Confident | 53 Ų | 53 | 57.9 Ų | 57.9 | 34% | 0.344 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | 141 | 172.3 | -27.5 | 36.4 | 0 | 0 | 0 | 112.3 | G529 L530 V547 | P512-G529 WeakPolarHBondContact CA-O 3.44Å; P512-L530 HydrophobicContact CG-CD1 4.06Å; P512-V547 HydrophobicContact CB-CG1 4.29Å |
| 513 | G | 75.9 | Confident | 78.4 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | -3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | P522 C523 G529 P546 | G513-P522 WeakPolarHBondContact O-CA 3.49Å; G513-C523 WeakPolarHBondContact CA-SG 3.41Å; G513-C523 PolarHBondContact O-N 3.23Å; G513-C523 PolarHBondContact O-SG 2.04Å; G513-G529 PolarHBondContact N-O 3.41Å; G513-P546 WeakPolarHBondContact CA-O 3.42Å |
| 514 | W | 82.9 | Confident | 78.9 | Confident | 64 Ų | 64 | 58.1 Ų | 58.1 | 24% | 0.242 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 151.3 | -176.7 | -57.6 | 94.6 | 0 | 0 | 0 | 113.1 | N497 T511 C519 L521 P522 | N497-W514 HydrophobicContact CB-CD2 3.74Å; N497-W514 HydrophobicContact CB-CE3 4.42Å; N497-W514 HydrophobicContact CB-CG 3.78Å; N497-W514 HydrophobicContact CB-CZ2 4.31Å; N497-W514 VanDerWaalsContact CG-CE2 3.47Å; N497-W514 VanDerWaalsContact ND2-CD2 3.3Å; N497-W514 WeakPolarHBondContact ND2-CZ3 3.04Å; T511-W514 PolarHBondContact O-N 2.83Å; W514-C519 HydrophobicContact CB-CB 4.4Å; W514-L521 CarbonylContact C-O 3.49Å; W514-L521 WeakPolarHBondContact CA-O 3.44Å; W514-P522 HydrophobicContact CE3-CB 4.27Å; W514-P522 HydrophobicContact CH2-CB 4.48Å; W514-P522 HydrophobicContact CZ3-CB 3.97Å |
| 515 | L | 81.2 | Confident | 79.2 | Confident | 64 Ų | 64 | 61.8 Ų | 61.8 | 34% | 0.335 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 165.3 | -170.3 | -166.7 | 64.1 | 0 | 0 | 0 | 110.9 | C519 E520 L521 | L515-C519 CarbonylContact O-C 3.52Å; L515-C519 WeakPolarHBondContact O-CA 3.05Å; L515-E520 PolarHBondContact O-N 3.19Å; L515-L521 PolarHBondContact N-O 3.34Å; L515-L521 WeakPolarHBondContact O-CB 3.42Å; L515-L521 PolarHBondContact O-N 2.69Å |
| 516 | G | 75.7 | Confident | 79 | Confident | 28 Ų | 28 | 58.7 Ų | 58.7 | 29% | 0.289 | 35% | 0.349 | S | S | . | . | S | Bend | trans | 91.5 | 160.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | C510 T518 C519 | C510-G516 PolarHBondContact SG-O 2.65Å; G516-T518 PolarHBondContact O-N 3.15Å; G516-T518 VanDerWaalsContact O-N 3.11Å; G516-C519 PolarHBondContact O-N 3.46Å |
| 517 | D | 76.4 | Confident | 79.4 | Confident | 157 Ų | 157 | 59.1 Ų | 59.1 | 84% | 0.84 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -20.9 | -168.3 | -53.4 | -44.8 | 0 | 0 | 0 | 113.8 | C508 | C508-D517 WeakPolarHBondContact CB-O 3.29Š|
| 518 | T | 80.8 | Confident | 79.7 | Confident | 44 Ų | 44 | 57.8 Ų | 57.8 | 27% | 0.27 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -0.5 | 173.8 | 48.3 | 0 | 0 | 0 | 0 | 113.5 | A496 G516 E520 | A496-T518 WeakPolarHBondContact CB-O 3.35Å; A496-T518 PolarHBondContact N-O 2.77Å; G516-T518 PolarHBondContact O-N 3.15Å; G516-T518 VanDerWaalsContact O-N 3.11Å; T518-E520 VanDerWaalsContact C-N 3.31Å; T518-E520 PolarHBondContact O-N 2.82Å; T518-E520 VanDerWaalsContact OG1-CG 3.3Å; T518-E520 WeakPolarHBondContact OG1-CG 3.19Å; T518-E520 PolarHBondContact OG1-OE2 3.39Å |
| 519 | C | 80.6 | Confident | 79.5 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | S | Bend | trans | 62.2 | 30.3 | -176 | -46 | 0 | 0 | 0 | 0 | 114.8 | N497 A499 C510 W514 L515 G516 | N497-C519 PolarHBondContact ND2-O 2.91Å; A499-C519 HydrophobicContact CB-CB 3.85Å; A499-C519 VanDerWaalsContact CB-SG 3.53Å; C510-C519 WeakPolarHBondContact CA-SG 3.45Å; C510-C519 HydrophobicContact CB-CB 3.72Å; C510-C519 WeakPolarHBondContact CB-SG 3.35Å; C510-C519 VanDerWaalsContact SG-CA 3.52Å; C510-C519 WeakPolarHBondContact SG-CB 3.44Å; C510-C519 CovalentContact SG-SG 2.04Å; C510-C519 PolarHBondContact SG-SG 3.43Å; W514-C519 HydrophobicContact CB-CB 4.4Å; L515-C519 CarbonylContact O-C 3.52Å; L515-C519 WeakPolarHBondContact O-CA 3.05Å; G516-C519 PolarHBondContact O-N 3.46Å |
| 520 | E | 81.1 | Confident | 79.4 | Confident | 124 Ų | 124 | 57.1 Ų | 57.1 | 58% | 0.579 | 33% | 0.326 | S | S | * | . | trans | -89.1 | -18.9 | -175.6 | 67.7 | -170.8 | -141.7 | 0 | 0 | 115 | L515 T518 | L515-E520 PolarHBondContact O-N 3.19Å; T518-E520 VanDerWaalsContact C-N 3.31Å; T518-E520 PolarHBondContact O-N 2.82Å; T518-E520 VanDerWaalsContact OG1-CG 3.3Å; T518-E520 WeakPolarHBondContact OG1-CG 3.19Å; T518-E520 PolarHBondContact OG1-OE2 3.39Å | ||
| 521 | L | 79.4 | Confident | 79.1 | Confident | 94 Ų | 94 | 61.1 Ų | 61.1 | 49% | 0.492 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 131.5 | -177.4 | -58.6 | 174.8 | 0 | 0 | 0 | 110.7 | W514 L515 | W514-L521 CarbonylContact C-O 3.49Å; W514-L521 WeakPolarHBondContact CA-O 3.44Å; L515-L521 PolarHBondContact N-O 3.34Å; L515-L521 WeakPolarHBondContact O-CB 3.42Å; L515-L521 PolarHBondContact O-N 2.69Å |
| 522 | P | 75.9 | Confident | 79.1 | Confident | 78 Ų | 78 | 59.9 Ų | 59.9 | 51% | 0.506 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 160.2 | 171.7 | 31.6 | -35.1 | 0 | 0 | 0 | 111.3 | G513 W514 | G513-P522 WeakPolarHBondContact O-CA 3.49Å; W514-P522 HydrophobicContact CE3-CB 4.27Å; W514-P522 HydrophobicContact CH2-CB 4.48Å; W514-P522 HydrophobicContact CZ3-CB 3.97Å |
| 523 | C | 82.8 | Confident | 79.1 | Confident | 12 Ų | 12 | 61.7 Ų | 61.7 | 8% | 0.081 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 144.9 | 175.6 | -69.2 | 0 | 0 | 0 | 0 | 113.4 | G513 T527 C532 P546 | G513-C523 WeakPolarHBondContact CA-SG 3.41Å; G513-C523 PolarHBondContact O-N 3.23Å; G513-C523 PolarHBondContact O-SG 2.04Å; C523-T527 WeakPolarHBondContact CB-O 3.47Å; C523-C532 WeakPolarHBondContact CA-SG 3.03Å; C523-C532 HydrophobicContact CB-CB 3.67Å; C523-C532 WeakPolarHBondContact CB-SG 3.21Å; C523-C532 WeakPolarHBondContact SG-CA 3.31Å; C523-C532 WeakPolarHBondContact SG-CB 3.36Å; C523-C532 CovalentContact SG-SG 2.03Å; C523-C532 PolarHBondContact SG-SG 2.9Å; C523-P546 HydrophobicContact CB-CB 3.83Å |
| 524 | P | 80.9 | Confident | 79.2 | Confident | 76 Ų | 76 | 67.2 Ų | 67.2 | 49% | 0.494 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 149.4 | 172.7 | -23.5 | 33.7 | 0 | 0 | 0 | 113.5 | G526 T527 | P524-G526 PolarHBondContact O-N 3.26Å; P524-T527 WeakPolarHBondContact CD-OG1 3.4Å; P524-T527 PolarHBondContact O-N 3.1Å; P524-T527 PolarHBondContact O-OG1 3.28Å |
| 525 | D | 75.5 | Confident | 79.1 | Confident | 172 Ų | 172 | 73.6 Ų | 73.6 | 92% | 0.92 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | 127.8 | -177.6 | -57.2 | -52.7 | 0 | 0 | 0 | 112.9 | ||
| 526 | G | 74.3 | Confident | 79 | Confident | 29 Ų | 29 | 71.8 Ų | 71.8 | 30% | 0.299 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 7.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | P524 R535 C536 | P524-G526 PolarHBondContact O-N 3.26Å; G526-R535 WeakPolarHBondContact O-CA 3.38Å; G526-C536 PolarHBondContact O-N 3.03Å |
| 527 | T | 83.8 | Confident | 79.4 | Confident | 20 Ų | 20 | 75.1 Ų | 75.1 | 12% | 0.123 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 149 | 170.6 | 61.6 | 0 | 0 | 0 | 0 | 112.4 | C523 P524 E534 R535 | C523-T527 WeakPolarHBondContact CB-O 3.47Å; P524-T527 WeakPolarHBondContact CD-OG1 3.4Å; P524-T527 PolarHBondContact O-N 3.1Å; P524-T527 PolarHBondContact O-OG1 3.28Å; T527-E534 CarbonylContact C-O 3.6Å; T527-E534 VanDerWaalsContact CA-O 3.22Å; T527-E534 WeakPolarHBondContact CA-O 3.48Å; T527-E534 WeakPolarHBondContact CB-O 3.21Å; T527-R535 HydrophobicContact CG2-CG 4.49Å |
| 528 | F | 84.3 | Confident | 79.6 | Confident | 35 Ų | 35 | 69.4 Ų | 69.4 | 15% | 0.154 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 175.5 | -175.1 | 78.7 | -85.4 | 0 | 0 | 0 | 113 | C532 S533 E534 C536 P546 G549 | F528-C532 CarbonylContact O-C 3.56Å; F528-C532 WeakPolarHBondContact O-CA 3.03Å; F528-S533 PolarHBondContact O-N 3.12Å; F528-E534 HydrophobicContact CD1-CB 3.86Å; F528-E534 HydrophobicContact CD2-CB 4.34Å; F528-E534 HydrophobicContact CE1-CB 3.5Å; F528-E534 HydrophobicContact CE2-CB 4.01Å; F528-E534 HydrophobicContact CG-CB 4.28Å; F528-E534 HydrophobicContact CZ-CB 3.57Å; F528-E534 HydrophobicContact CZ-CG 4.44Å; F528-E534 WeakPolarHBondContact CZ-OE2 3.43Å; F528-E534 PolarHBondContact N-O 3Å; F528-E534 PolarHBondContact O-N 3.49Å; F528-E534 VanDerWaalsContact O-N 3.17Å; F528-C536 VanDerWaalsContact CD1-SG 3.59Å; F528-P546 CarbonylContact C-O 3.52Å; F528-P546 WeakPolarHBondContact CA-O 3.04Å; F528-P546 VanDerWaalsContact CB-O 3.27Å; F528-P546 WeakPolarHBondContact CB-O 3.23Å; F528-G549 VanDerWaalsContact CD2-N 3.27Å |
| 529 | G | 76.3 | Confident | 79.6 | Confident | 8 Ų | 8 | 70.4 Ų | 70.4 | 8% | 0.082 | 39% | 0.387 | C | S | . | . | S | Bend | trans | 84 | -164.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | P512 G513 N531 C532 P546 | P512-G529 WeakPolarHBondContact CA-O 3.44Å; G513-G529 PolarHBondContact N-O 3.41Å; G529-N531 PolarHBondContact O-N 3.22Å; G529-C532 PolarHBondContact O-N 2.87Å; G529-P546 PolarHBondContact N-O 2.81Å |
| 530 | L | 78.5 | Confident | 79.8 | Confident | 88 Ų | 88 | 74 Ų | 74 | 46% | 0.461 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -67.6 | 126.2 | -177.6 | -157.3 | 78 | 0 | 0 | 0 | 110.4 | C510 P512 C532 S533 | C510-L530 WeakPolarHBondContact O-CD1 3.32Å; P512-L530 HydrophobicContact CG-CD1 4.06Å; L530-C532 PolarHBondContact O-N 2.86Å; L530-S533 PolarHBondContact O-N 2.04Å; L530-S533 PolarHBondContact O-OG 2.8Å |
| 531 | N | 77.1 | Confident | 79.7 | Confident | 98 Ų | 98 | 69.3 Ų | 69.3 | 52% | 0.524 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | 53.9 | 25.3 | -173.1 | -53.7 | -73.7 | 0 | 0 | 0 | 114.4 | G529 S533 | G529-N531 PolarHBondContact O-N 3.22Å; N531-S533 PolarHBondContact O-N 3.09Å; N531-S533 VanDerWaalsContact O-N 3.14Å |
| 532 | C | 77.6 | Confident | 79.7 | Confident | 14 Ų | 14 | 71.3 Ų | 71.3 | 10% | 0.095 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | 56.1 | 30.6 | 179.1 | -44.1 | 0 | 0 | 0 | 0 | 114 | C523 F528 G529 L530 | C523-C532 WeakPolarHBondContact CA-SG 3.03Å; C523-C532 HydrophobicContact CB-CB 3.67Å; C523-C532 WeakPolarHBondContact CB-SG 3.21Å; C523-C532 WeakPolarHBondContact SG-CA 3.31Å; C523-C532 WeakPolarHBondContact SG-CB 3.36Å; C523-C532 CovalentContact SG-SG 2.03Å; C523-C532 PolarHBondContact SG-SG 2.9Å; F528-C532 CarbonylContact O-C 3.56Å; F528-C532 WeakPolarHBondContact O-CA 3.03Å; G529-C532 PolarHBondContact O-N 2.87Å; L530-C532 PolarHBondContact O-N 2.86Å |
| 533 | S | 80.5 | Confident | 79.8 | Confident | 91 Ų | 91 | 69.2 Ų | 69.2 | 64% | 0.636 | 39% | 0.391 | S | S | * | . | trans | -83.1 | -19.7 | -169.9 | 55.1 | 0 | 0 | 0 | 0 | 114 | F528 L530 N531 | F528-S533 PolarHBondContact O-N 3.12Å; L530-S533 PolarHBondContact O-N 2.04Å; L530-S533 PolarHBondContact O-OG 2.8Å; N531-S533 PolarHBondContact O-N 3.09Å; N531-S533 VanDerWaalsContact O-N 3.14Å | ||
| 534 | E | 78.7 | Confident | 79.8 | Confident | 115 Ų | 115 | 69.7 Ų | 69.7 | 54% | 0.537 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 155.8 | 177.9 | -61.1 | -160.1 | -154.1 | 0 | 0 | 111.7 | T527 F528 | T527-E534 CarbonylContact C-O 3.6Å; T527-E534 VanDerWaalsContact CA-O 3.22Å; T527-E534 WeakPolarHBondContact CA-O 3.48Å; T527-E534 WeakPolarHBondContact CB-O 3.21Å; F528-E534 HydrophobicContact CD1-CB 3.86Å; F528-E534 HydrophobicContact CD2-CB 4.34Å; F528-E534 HydrophobicContact CE1-CB 3.5Å; F528-E534 HydrophobicContact CE2-CB 4.01Å; F528-E534 HydrophobicContact CG-CB 4.28Å; F528-E534 HydrophobicContact CZ-CB 3.57Å; F528-E534 HydrophobicContact CZ-CG 4.44Å; F528-E534 WeakPolarHBondContact CZ-OE2 3.43Å; F528-E534 PolarHBondContact N-O 3Å; F528-E534 PolarHBondContact O-N 3.49Å; F528-E534 VanDerWaalsContact O-N 3.17Å |
| 535 | R | 80.6 | Confident | 79.8 | Confident | 198 Ų | 198 | 69 Ų | 69 | 75% | 0.747 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 132.9 | -175.3 | -65.2 | -175.4 | 178.6 | -76.5 | -5.5 | 110.3 | G526 T527 D537 | G526-R535 WeakPolarHBondContact O-CA 3.38Å; T527-R535 HydrophobicContact CG2-CG 4.49Å; R535-D537 PolarHBondContact O-N 3.12Å |
| 536 | C | 79.1 | Confident | 79.7 | Confident | 26 Ų | 26 | 62.8 Ų | 62.8 | 18% | 0.176 | 36% | 0.355 | C | S | . | . | trans | -70.5 | 123.3 | -178.4 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | G526 F528 C538 C544 | G526-C536 PolarHBondContact O-N 3.03Å; F528-C536 VanDerWaalsContact CD1-SG 3.59Å; C536-C538 PolarHBondContact O-N 3.05Å; C536-C544 HydrophobicContact CB-CB 3.56Å; C536-C544 WeakPolarHBondContact CB-SG 3.37Å; C536-C544 WeakPolarHBondContact SG-CB 3.3Å; C536-C544 CovalentContact SG-SG 2.02Å; C536-C544 PolarHBondContact SG-SG 2.83Å | ||
| 537 | D | 82.8 | Confident | 79.9 | Confident | 98 Ų | 98 | 64.3 Ų | 64.3 | 52% | 0.524 | 36% | 0.358 | S | S | . | . | trans | -99.1 | 61.2 | -175.4 | -172.4 | 9.4 | 0 | 0 | 0 | 111.5 | R535 R561 | R535-D537 PolarHBondContact O-N 3.12Å; D537-R561 VanDerWaalsContact CG-CZ 3.49Å; D537-R561 VanDerWaalsContact CG-NE 3.32Å; D537-R561 WeakPolarHBondContact O-CB 3Å; D537-R561 VanDerWaalsContact O-CG 3.28Å; D537-R561 WeakPolarHBondContact O-CG 2.95Å; D537-R561 PolarHBondContact O-NE 3.46Å; D537-R561 IonicContact OD1-CZ 3.64Å; D537-R561 IonicContact OD1-NE 3.14Å; D537-R561 IonicContact OD1-NH2 3.85Å; D537-R561 PolarHBondContact OD1-NH2 2.81Å; D537-R561 IonicContact OD2-CZ 2.74Å; D537-R561 IonicContact OD2-NE 3.61Å; D537-R561 PolarHBondContact OD2-NE 3.16Å; D537-R561 VanDerWaalsContact OD2-NE 3.13Å; D537-R561 IonicContact OD2-NH2 3.54Å; D537-R561 PolarHBondContact OD2-NH2 3.09Å | ||
| 538 | C | 81.6 | Confident | 79.7 | Confident | 38 Ų | 38 | 67.5 Ų | 67.5 | 26% | 0.257 | 38% | 0.378 | S | S | . | . | trans | -102.1 | 138.8 | -171.2 | -51.2 | 0 | 0 | 0 | 0 | 112.6 | C536 A541 C551 | C536-C538 PolarHBondContact O-N 3.05Å; C538-A541 HydrophobicContact CB-CB 3.63Å; C538-C551 WeakPolarHBondContact CA-SG 3.47Å; C538-C551 HydrophobicContact CB-CB 3.73Å; C538-C551 WeakPolarHBondContact CB-SG 3.36Å; C538-C551 VanDerWaalsContact SG-CA 3.59Å; C538-C551 WeakPolarHBondContact SG-CB 2.97Å; C538-C551 CovalentContact SG-SG 2.03Å; C538-C551 PolarHBondContact SG-SG 3Å | ||
| 539 | S | 80.6 | Confident | 79.3 | Confident | 64 Ų | 64 | 66.4 Ų | 66.4 | 45% | 0.448 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -92.9 | -63.7 | 179.3 | -55.2 | 0 | 0 | 0 | 0 | 112.6 | R561 | S539-R561 PolarHBondContact N-O 3.09Š|
| 540 | H | 84.1 | Confident | 79.6 | Confident | 75 Ų | 75 | 70.2 Ų | 70.2 | 35% | 0.347 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -117.8 | 66.8 | -176.7 | -50.6 | 105.4 | 0 | 0 | 0 | 110.5 | L554 W557 C562 | H540-L554 WeakPolarHBondContact O-CB 3.34Å; H540-L554 PolarHBondContact O-N 2.62Å; H540-W557 HydrophobicContact CB-CB 4.21Å; H540-W557 HydrophobicContact CB-CD2 3.8Å; H540-W557 HydrophobicContact CB-CE3 4.43Å; H540-W557 HydrophobicContact CB-CG 3.65Å; H540-W557 AromaticContact CE1-CE3 3.98Å; H540-W557 AromaticContact CE1-CH2 3.46Å; H540-W557 VanDerWaalsContact CE1-CH2 3.46Å; H540-W557 WeakPolarHBondContact CE1-CH2 3.43Å; H540-W557 AromaticContact CE1-CZ2 3.73Å; H540-W557 AromaticContact CE1-CZ3 3.59Å; H540-W557 AromaticContact CG-CD2 3.73Å; H540-W557 AromaticContact CG-CE2 3.73Å; H540-W557 AromaticContact ND1-CD2 3.45Å; H540-W557 AromaticContact ND1-CE2 3.65Å; H540-W557 AromaticContact ND1-CE3 3.32Å; H540-W557 VanDerWaalsContact ND1-CE3 3.32Å; H540-W557 AromaticContact ND1-CH2 3.65Å; H540-W557 AromaticContact ND1-CZ2 3.76Å; H540-W557 AromaticContact ND1-CZ3 3.42Å; H540-W557 WeakPolarHBondContact ND1-CZ3 3.05Å; H540-C562 HydrophobicContact CB-CB 4.32Å; H540-C562 PolarHBondContact N-O 3.27Å; H540-C562 PolarHBondContact ND1-O 2.95Å; H540-C562 VanDerWaalsContact O-CB 3.31Å; H540-C562 WeakPolarHBondContact O-CB 2.96Å |
| 541 | A | 79.7 | Confident | 79.9 | Confident | 26 Ų | 26 | 66.1 Ų | 66.1 | 22% | 0.215 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 147.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | C538 G543 C551 C552 C562 | C538-A541 HydrophobicContact CB-CB 3.63Å; A541-G543 VanDerWaalsContact C-N 3.27Å; A541-G543 WeakPolarHBondContact CB-O 3.08Å; A541-G543 PolarHBondContact O-N 3.05Å; A541-C551 HydrophobicContact CB-CB 4.05Å; A541-C552 CarbonylContact C-O 3.48Å; A541-C552 VanDerWaalsContact CA-O 3.25Å; A541-C552 WeakPolarHBondContact CA-O 3.32Å; A541-C552 WeakPolarHBondContact CB-O 3.46Å; A541-C562 HydrophobicContact CB-CB 4.3Å |
| 542 | D | 79.1 | Confident | 80.1 | Confident | 137 Ų | 137 | 64.1 Ų | 64.1 | 73% | 0.733 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 68 | 167.2 | -160.7 | 19.6 | 0 | 0 | 0 | 108.8 | C552 L554 | D542-C552 PolarHBondContact N-O 2.82Å; D542-C552 WeakPolarHBondContact O-CB 3.22Å; D542-L554 HydrophobicContact CB-CD2 3.98Å |
| 543 | G | 78.9 | Confident | 80.5 | Confident | 34 Ų | 34 | 63.6 Ų | 63.6 | 35% | 0.351 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 74 | -150.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | A541 C552 | A541-G543 VanDerWaalsContact C-N 3.27Å; A541-G543 WeakPolarHBondContact CB-O 3.08Å; A541-G543 PolarHBondContact O-N 3.05Å; G543-C552 PolarHBondContact O-N 3.03Å |
| 544 | C | 82.3 | Confident | 80.6 | Confident | 21 Ų | 21 | 63.3 Ų | 63.3 | 14% | 0.142 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 158.6 | -170.9 | 53.5 | 0 | 0 | 0 | 0 | 111.6 | C536 H550 | C536-C544 HydrophobicContact CB-CB 3.56Å; C536-C544 WeakPolarHBondContact CB-SG 3.37Å; C536-C544 WeakPolarHBondContact SG-CB 3.3Å; C536-C544 CovalentContact SG-SG 2.02Å; C536-C544 PolarHBondContact SG-SG 2.83Å; C544-H550 CarbonylContact C-O 3.47Å; C544-H550 VanDerWaalsContact CA-O 3.3Å; C544-H550 WeakPolarHBondContact CA-O 3.23Å |
| 545 | D | 80.3 | Confident | 80.7 | Confident | 62 Ų | 62 | 59.9 Ų | 59.9 | 33% | 0.332 | 34% | 0.343 | S | S | . | . | trans | -65 | 122.7 | 169.4 | 177.8 | -78.9 | 0 | 0 | 0 | 110.6 | V547 T548 G549 H550 | D545-V547 VanDerWaalsContact C-N 3.31Å; D545-V547 PolarHBondContact O-N 2.8Å; D545-V547 WeakPolarHBondContact OD1-CA 2.99Å; D545-V547 WeakPolarHBondContact OD1-CB 3.44Å; D545-V547 PolarHBondContact OD1-N 3.38Å; D545-T548 WeakPolarHBondContact CB-OG1 3.44Å; D545-T548 WeakPolarHBondContact OD1-CB 3.14Å; D545-T548 PolarHBondContact OD1-N 3.1Å; D545-T548 PolarHBondContact OD1-OG1 3.33Å; D545-G549 VanDerWaalsContact O-CA 3.27Å; D545-G549 WeakPolarHBondContact O-CA 3.44Å; D545-G549 PolarHBondContact O-N 2.04Å; D545-H550 HydrophobicContact CB-CB 4.38Å; D545-H550 PolarHBondContact N-O 2.04Å | ||
| 546 | P | 74.5 | Confident | 80.7 | Confident | 41 Ų | 41 | 50.6 Ų | 50.6 | 27% | 0.266 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -22.2 | -174.1 | 27.2 | -34.5 | 0 | 0 | 0 | 113.4 | G513 C523 F528 G529 | G513-P546 WeakPolarHBondContact CA-O 3.42Å; C523-P546 HydrophobicContact CB-CB 3.83Å; F528-P546 CarbonylContact C-O 3.52Å; F528-P546 WeakPolarHBondContact CA-O 3.04Å; F528-P546 VanDerWaalsContact CB-O 3.27Å; F528-P546 WeakPolarHBondContact CB-O 3.23Å; G529-P546 PolarHBondContact N-O 2.81Å |
| 547 | V | 78.1 | Confident | 81 | Confident | 61 Ų | 61 | 52.3 Ų | 52.3 | 37% | 0.37 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -39.9 | -179 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | P512 D545 | P512-V547 HydrophobicContact CB-CG1 4.29Å; D545-V547 VanDerWaalsContact C-N 3.31Å; D545-V547 PolarHBondContact O-N 2.8Å; D545-V547 WeakPolarHBondContact OD1-CA 2.99Å; D545-V547 WeakPolarHBondContact OD1-CB 3.44Å; D545-V547 PolarHBondContact OD1-N 3.38Å |
| 548 | T | 80.1 | Confident | 80.9 | Confident | 88 Ų | 88 | 49.3 Ų | 49.3 | 54% | 0.54 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | -14.7 | -166.4 | 63.1 | 0 | 0 | 0 | 0 | 114.9 | D545 H550 | D545-T548 WeakPolarHBondContact CB-OG1 3.44Å; D545-T548 WeakPolarHBondContact OD1-CB 3.14Å; D545-T548 PolarHBondContact OD1-N 3.1Å; D545-T548 PolarHBondContact OD1-OG1 3.33Å; T548-H550 PolarHBondContact O-N 3.1Å; T548-H550 PolarHBondContact OG1-N 2.01Å |
| 549 | G | 75.9 | Confident | 80.7 | Confident | 12 Ų | 12 | 48.7 Ų | 48.7 | 12% | 0.124 | 30% | 0.297 | C | S | . | . | trans | 75.5 | 5.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | F528 D545 C551 | F528-G549 VanDerWaalsContact CD2-N 3.27Å; D545-G549 VanDerWaalsContact O-CA 3.27Å; D545-G549 WeakPolarHBondContact O-CA 3.44Å; D545-G549 PolarHBondContact O-N 2.04Å; G549-C551 PolarHBondContact O-N 3.28Å | ||
| 550 | H | 82.4 | Confident | 80.5 | Confident | 87 Ų | 87 | 51.7 Ų | 51.7 | 40% | 0.403 | 31% | 0.306 | S | S | . | . | trans | -69.5 | 126.2 | -177.6 | -169.3 | 57.7 | 0 | 0 | 0 | 111.1 | C544 D545 T548 | C544-H550 CarbonylContact C-O 3.47Å; C544-H550 VanDerWaalsContact CA-O 3.3Å; C544-H550 WeakPolarHBondContact CA-O 3.23Å; D545-H550 HydrophobicContact CB-CB 4.38Å; D545-H550 PolarHBondContact N-O 2.04Å; T548-H550 PolarHBondContact O-N 3.1Å; T548-H550 PolarHBondContact OG1-N 2.01Å | ||
| 551 | C | 84.7 | Confident | 80.4 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.014 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 137.8 | -173.2 | -61 | 0 | 0 | 0 | 0 | 113.1 | C538 A541 G549 C553 I560 C562 | C538-C551 WeakPolarHBondContact CA-SG 3.47Å; C538-C551 HydrophobicContact CB-CB 3.73Å; C538-C551 WeakPolarHBondContact CB-SG 3.36Å; C538-C551 VanDerWaalsContact SG-CA 3.59Å; C538-C551 WeakPolarHBondContact SG-CB 2.97Å; C538-C551 CovalentContact SG-SG 2.03Å; C538-C551 PolarHBondContact SG-SG 3Å; A541-C551 HydrophobicContact CB-CB 4.05Å; G549-C551 PolarHBondContact O-N 3.28Å; C551-C553 PolarHBondContact O-N 3.49Å; C551-I560 PolarHBondContact SG-O 3.03Å; C551-C562 WeakPolarHBondContact CB-SG 3.27Å |
| 552 | C | 80.8 | Confident | 80.6 | Confident | 56 Ų | 56 | 51.4 Ų | 51.4 | 38% | 0.378 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 83.1 | 179.1 | -65.6 | 0 | 0 | 0 | 0 | 110.3 | A541 D542 G543 L554 | A541-C552 CarbonylContact C-O 3.48Å; A541-C552 VanDerWaalsContact CA-O 3.25Å; A541-C552 WeakPolarHBondContact CA-O 3.32Å; A541-C552 WeakPolarHBondContact CB-O 3.46Å; D542-C552 PolarHBondContact N-O 2.82Å; D542-C552 WeakPolarHBondContact O-CB 3.22Å; G543-C552 PolarHBondContact O-N 3.03Å; C552-L554 PolarHBondContact O-N 2.93Å |
| 553 | C | 86.2 | Confident | 80.9 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.02 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 135.1 | -167.5 | -52.3 | 0 | 0 | 0 | 0 | 114.3 | C551 W557 C562 P573 N574 | C551-C553 PolarHBondContact O-N 3.49Å; C553-W557 HydrophobicContact CB-CB 4.13Å; C553-W557 VanDerWaalsContact CB-O 3.22Å; C553-W557 WeakPolarHBondContact CB-O 3.42Å; C553-C562 WeakPolarHBondContact CA-SG 3.26Å; C553-C562 HydrophobicContact CB-CB 3.66Å; C553-C562 WeakPolarHBondContact CB-SG 3.37Å; C553-C562 PolarHBondContact N-SG 3.48Å; C553-C562 WeakPolarHBondContact SG-CA 3.28Å; C553-C562 WeakPolarHBondContact SG-CB 3.18Å; C553-C562 CovalentContact SG-SG 2.02Å; C553-C562 PolarHBondContact SG-SG 2.87Å; C553-P573 WeakPolarHBondContact O-CA 3Å; C553-P573 VanDerWaalsContact O-CB 3.26Å; C553-P573 WeakPolarHBondContact O-CB 2.98Å; C553-N574 WeakPolarHBondContact CB-OD1 3.33Å; C553-N574 PolarHBondContact N-OD1 2.91Å; C553-N574 PolarHBondContact O-N 3.41Å; C553-N574 PolarHBondContact SG-OD1 3.09Å |
| 554 | L | 82.9 | Confident | 81 | Confident | 85 Ų | 85 | 49.9 Ų | 49.9 | 45% | 0.445 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 162.2 | 171.2 | -65.6 | 171.2 | 0 | 0 | 0 | 110.9 | H540 D542 C552 G556 W557 | H540-L554 WeakPolarHBondContact O-CB 3.34Å; H540-L554 PolarHBondContact O-N 2.62Å; D542-L554 HydrophobicContact CB-CD2 3.98Å; C552-L554 PolarHBondContact O-N 2.93Å; L554-G556 PolarHBondContact O-N 3.37Å; L554-W557 PolarHBondContact O-N 3Å; L554-W557 VanDerWaalsContact O-N 3.07Å |
| 555 | A | 81.1 | Confident | 81 | Confident | 44 Ų | 44 | 53 Ų | 53 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 134.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E590 | A555-E590 WeakPolarHBondContact CB-O 3.25Š|
| 556 | G | 80.1 | Confident | 81.2 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | -10.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L554 T565 C566 G572 P589 | L554-G556 PolarHBondContact O-N 3.37Å; G556-T565 CarbonylContact O-C 3.53Å; G556-T565 WeakPolarHBondContact O-CA 3.46Å; G556-C566 VanDerWaalsContact CA-SG 3.59Å; G556-C566 PolarHBondContact O-N 3.28Å; G556-C566 PolarHBondContact O-SG 3.38Å; G556-G572 PolarHBondContact N-O 3.34Å; G556-P589 VanDerWaalsContact CA-O 3.24Å; G556-P589 WeakPolarHBondContact CA-O 3.48Å; G556-P589 PolarHBondContact N-O 2.03Å |
| 557 | W | 84.1 | Confident | 81.5 | Confident | 62 Ų | 62 | 52.2 Ų | 52.2 | 24% | 0.235 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 150.5 | -174.8 | -60.1 | 88 | 0 | 0 | 0 | 113.3 | H540 C553 L554 C562 S564 T565 N574 | H540-W557 HydrophobicContact CB-CB 4.21Å; H540-W557 HydrophobicContact CB-CD2 3.8Å; H540-W557 HydrophobicContact CB-CE3 4.43Å; H540-W557 HydrophobicContact CB-CG 3.65Å; H540-W557 AromaticContact CE1-CE3 3.98Å; H540-W557 AromaticContact CE1-CH2 3.46Å; H540-W557 VanDerWaalsContact CE1-CH2 3.46Å; H540-W557 WeakPolarHBondContact CE1-CH2 3.43Å; H540-W557 AromaticContact CE1-CZ2 3.73Å; H540-W557 AromaticContact CE1-CZ3 3.59Å; H540-W557 AromaticContact CG-CD2 3.73Å; H540-W557 AromaticContact CG-CE2 3.73Å; H540-W557 AromaticContact ND1-CD2 3.45Å; H540-W557 AromaticContact ND1-CE2 3.65Å; H540-W557 AromaticContact ND1-CE3 3.32Å; H540-W557 VanDerWaalsContact ND1-CE3 3.32Å; H540-W557 AromaticContact ND1-CH2 3.65Å; H540-W557 AromaticContact ND1-CZ2 3.76Å; H540-W557 AromaticContact ND1-CZ3 3.42Å; H540-W557 WeakPolarHBondContact ND1-CZ3 3.05Å; C553-W557 HydrophobicContact CB-CB 4.13Å; C553-W557 VanDerWaalsContact CB-O 3.22Å; C553-W557 WeakPolarHBondContact CB-O 3.42Å; L554-W557 PolarHBondContact O-N 3Å; L554-W557 VanDerWaalsContact O-N 3.07Å; W557-C562 HydrophobicContact CB-CB 4.36Å; W557-S564 CarbonylContact C-O 3.6Å; W557-S564 WeakPolarHBondContact CA-O 3.47Å; W557-T565 HydrophobicContact CE3-CG2 4.19Å; W557-T565 HydrophobicContact CH2-CG2 3.87Å; W557-T565 HydrophobicContact CZ2-CG2 4.32Å; W557-T565 HydrophobicContact CZ3-CG2 3.79Å; W557-N574 WeakPolarHBondContact O-CA 3.24Å; W557-N574 PolarHBondContact O-N 2.02Å |
| 558 | T | 82.5 | Confident | 81.5 | Confident | 35 Ų | 35 | 55.5 Ų | 55.5 | 22% | 0.215 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | -174.4 | 178.3 | -167.6 | 0 | 0 | 0 | 0 | 110.3 | S564 N574 C575 | T558-S564 PolarHBondContact N-O 3.4Å; T558-S564 PolarHBondContact O-N 3.25Å; T558-S564 PolarHBondContact O-OG 3.07Å; T558-N574 PolarHBondContact OG1-O 3.02Å; T558-C575 VanDerWaalsContact CB-SG 3.51Å; T558-C575 HydrophobicContact CG2-CB 4.32Å; T558-C575 VanDerWaalsContact CG2-SG 3.55Å |
| 559 | G | 76.7 | Confident | 81.4 | Confident | 26 Ų | 26 | 53.1 Ų | 53.1 | 27% | 0.268 | 32% | 0.319 | S | S | . | . | S | Bend | trans | 84.8 | 159.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | R561 C562 | G559-R561 PolarHBondContact O-N 3.09Å; G559-C562 PolarHBondContact O-N 3.1Å |
| 560 | I | 75.8 | Confident | 81.8 | Confident | 126 Ų | 126 | 58.1 Ų | 58.1 | 65% | 0.646 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -16.8 | -167.5 | 55.2 | 166.9 | 0 | 0 | 0 | 115.2 | C551 | C551-I560 PolarHBondContact SG-O 3.03Š|
| 561 | R | 83 | Confident | 82 | Confident | 95 Ų | 95 | 57.6 Ų | 57.6 | 36% | 0.358 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.3 | 8.6 | 177.1 | -66.5 | 179.4 | 63.3 | -151.7 | 10.3 | 113.7 | D537 S539 G559 D563 | D537-R561 VanDerWaalsContact CG-CZ 3.49Å; D537-R561 VanDerWaalsContact CG-NE 3.32Å; D537-R561 WeakPolarHBondContact O-CB 3Å; D537-R561 VanDerWaalsContact O-CG 3.28Å; D537-R561 WeakPolarHBondContact O-CG 2.95Å; D537-R561 PolarHBondContact O-NE 3.46Å; D537-R561 IonicContact OD1-CZ 3.64Å; D537-R561 IonicContact OD1-NE 3.14Å; D537-R561 IonicContact OD1-NH2 3.85Å; D537-R561 PolarHBondContact OD1-NH2 2.81Å; D537-R561 IonicContact OD2-CZ 2.74Å; D537-R561 IonicContact OD2-NE 3.61Å; D537-R561 PolarHBondContact OD2-NE 3.16Å; D537-R561 VanDerWaalsContact OD2-NE 3.13Å; D537-R561 IonicContact OD2-NH2 3.54Å; D537-R561 PolarHBondContact OD2-NH2 3.09Å; S539-R561 PolarHBondContact N-O 3.09Å; G559-R561 PolarHBondContact O-N 3.09Å; R561-D563 HydrophobicContact CB-CB 4.35Å; R561-D563 PolarHBondContact O-N 3.42Å |
| 562 | C | 83.2 | Confident | 81.9 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | S | Bend | trans | 56.1 | 38.6 | -173.6 | -46.5 | 0 | 0 | 0 | 0 | 113 | H540 A541 C551 C553 W557 G559 | H540-C562 HydrophobicContact CB-CB 4.32Å; H540-C562 PolarHBondContact N-O 3.27Å; H540-C562 PolarHBondContact ND1-O 2.95Å; H540-C562 VanDerWaalsContact O-CB 3.31Å; H540-C562 WeakPolarHBondContact O-CB 2.96Å; A541-C562 HydrophobicContact CB-CB 4.3Å; C551-C562 WeakPolarHBondContact CB-SG 3.27Å; C553-C562 WeakPolarHBondContact CA-SG 3.26Å; C553-C562 HydrophobicContact CB-CB 3.66Å; C553-C562 WeakPolarHBondContact CB-SG 3.37Å; C553-C562 PolarHBondContact N-SG 3.48Å; C553-C562 WeakPolarHBondContact SG-CA 3.28Å; C553-C562 WeakPolarHBondContact SG-CB 3.18Å; C553-C562 CovalentContact SG-SG 2.02Å; C553-C562 PolarHBondContact SG-SG 2.87Å; W557-C562 HydrophobicContact CB-CB 4.36Å; G559-C562 PolarHBondContact O-N 3.1Å |
| 563 | D | 85.6 | Confident | 81.9 | Confident | 89 Ų | 89 | 58.3 Ų | 58.3 | 48% | 0.476 | 33% | 0.333 | S | S | . | . | trans | -100.8 | -10.9 | -177 | 57.1 | -35.7 | 0 | 0 | 0 | 112.8 | R561 | R561-D563 HydrophobicContact CB-CB 4.35Å; R561-D563 PolarHBondContact O-N 3.42Å | ||
| 564 | S | 81.1 | Confident | 81.7 | Confident | 50 Ų | 50 | 61.2 Ų | 61.2 | 35% | 0.35 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 140.8 | 176.7 | 68.9 | 0 | 0 | 0 | 0 | 112.4 | W557 T558 | W557-S564 CarbonylContact C-O 3.6Å; W557-S564 WeakPolarHBondContact CA-O 3.47Å; T558-S564 PolarHBondContact N-O 3.4Å; T558-S564 PolarHBondContact O-N 3.25Å; T558-S564 PolarHBondContact O-OG 3.07Å |
| 565 | T | 82.4 | Confident | 81.7 | Confident | 88 Ų | 88 | 57.5 Ų | 57.5 | 54% | 0.54 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 158.5 | 174.6 | 53.9 | 0 | 0 | 0 | 0 | 111.4 | G556 W557 | G556-T565 CarbonylContact O-C 3.53Å; G556-T565 WeakPolarHBondContact O-CA 3.46Å; W557-T565 HydrophobicContact CE3-CG2 4.19Å; W557-T565 HydrophobicContact CH2-CG2 3.87Å; W557-T565 HydrophobicContact CZ2-CG2 4.32Å; W557-T565 HydrophobicContact CZ3-CG2 3.79Å |
| 566 | C | 84.4 | Confident | 81.7 | Confident | 14 Ų | 14 | 59.3 Ų | 59.3 | 10% | 0.095 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 138.4 | -178.8 | -64.5 | 0 | 0 | 0 | 0 | 114.4 | G556 R570 C575 P589 | G556-C566 VanDerWaalsContact CA-SG 3.59Å; G556-C566 PolarHBondContact O-N 3.28Å; G556-C566 PolarHBondContact O-SG 3.38Å; C566-R570 VanDerWaalsContact CB-O 3.28Å; C566-R570 WeakPolarHBondContact CB-O 3.28Å; C566-C575 WeakPolarHBondContact CA-SG 3.45Å; C566-C575 HydrophobicContact CB-CB 3.74Å; C566-C575 WeakPolarHBondContact CB-SG 3.05Å; C566-C575 WeakPolarHBondContact SG-CB 3.32Å; C566-C575 CovalentContact SG-SG 2.02Å; C566-C575 PolarHBondContact SG-SG 3.36Å; C566-P589 HydrophobicContact CB-CB 3.94Å |
| 567 | P | 81 | Confident | 81.8 | Confident | 72 Ų | 72 | 62 Ų | 62 | 47% | 0.468 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 145.6 | 169.6 | 30.9 | -34.9 | 0 | 0 | 0 | 110.5 | G569 R570 | P567-G569 PolarHBondContact O-N 2.91Å; P567-R570 HydrophobicContact CG-CB 4.5Å; P567-R570 PolarHBondContact O-N 3.45Å; P567-R570 VanDerWaalsContact O-N 3.09Å |
| 568 | S | 77.7 | Confident | 81.8 | Confident | 130 Ų | 130 | 62.3 Ų | 62.3 | 91% | 0.909 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | 129.5 | -175.8 | -47.9 | 0 | 0 | 0 | 0 | 113.1 | ||
| 569 | G | 77.1 | Confident | 81.9 | Confident | 37 Ų | 37 | 62 Ų | 62 | 38% | 0.381 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | 8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | P567 C579 | P567-G569 PolarHBondContact O-N 2.91Å; G569-C579 PolarHBondContact O-N 3.39Å; G569-C579 PolarHBondContact O-SG 2.78Å |
| 570 | R | 85.2 | Confident | 82.2 | Confident | 117 Ų | 117 | 64.9 Ų | 64.9 | 44% | 0.442 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 150.7 | 171.3 | -55.4 | -168.1 | -176.7 | -68.6 | -8.2 | 111.9 | C566 P567 C575 V577 S578 C579 | C566-R570 VanDerWaalsContact CB-O 3.28Å; C566-R570 WeakPolarHBondContact CB-O 3.28Å; P567-R570 HydrophobicContact CG-CB 4.5Å; P567-R570 PolarHBondContact O-N 3.45Å; P567-R570 VanDerWaalsContact O-N 3.09Å; R570-C575 HydrophobicContact CB-CB 4.01Å; R570-C575 WeakPolarHBondContact CB-O 3.35Å; R570-V577 CarbonylContact C-O 3.44Å; R570-V577 VanDerWaalsContact CA-O 3.28Å; R570-V577 WeakPolarHBondContact CA-O 3.26Å; R570-S578 PolarHBondContact NH1-OG 2.77Å; R570-C579 PolarHBondContact N-SG 3.43Å; R570-C579 VanDerWaalsContact N-SG 3.43Å |
| 571 | W | 86.9 | Confident | 82.6 | Confident | 76 Ų | 76 | 60.1 Ų | 60.1 | 29% | 0.288 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 175.5 | -177.9 | 74.2 | -75.6 | 0 | 0 | 0 | 112 | C575 V577 P589 D591 G592 | W571-C575 CarbonylContact O-C 3.58Å; W571-C575 WeakPolarHBondContact O-CA 3.33Å; W571-V577 HydrophobicContact CD2-CB 4.27Å; W571-V577 HydrophobicContact CG-CB 4.27Å; W571-V577 HydrophobicContact CZ2-CG1 4Å; W571-V577 PolarHBondContact N-O 2.9Å; W571-V577 VanDerWaalsContact NE1-CG1 3.26Å; W571-V577 WeakPolarHBondContact O-CB 3.49Å; W571-V577 PolarHBondContact O-N 3.41Å; W571-V577 VanDerWaalsContact O-N 3.14Å; W571-P589 WeakPolarHBondContact CA-O 3.28Å; W571-P589 WeakPolarHBondContact CB-O 3.43Å; W571-D591 VanDerWaalsContact CZ3-C 3.45Å; W571-D591 WeakPolarHBondContact CZ3-O 3Å; W571-G592 VanDerWaalsContact CE3-N 3.26Å |
| 572 | G | 81.8 | Confident | 82.5 | Confident | 2 Ų | 2 | 60.3 Ų | 60.3 | 2% | 0.021 | 37% | 0.365 | C | S | . | . | S | Bend | trans | 78.3 | -173.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | G556 C575 P589 | G556-G572 PolarHBondContact N-O 3.34Å; G572-C575 WeakPolarHBondContact O-CA 3.4Å; G572-C575 PolarHBondContact O-N 3.02Å; G572-P589 PolarHBondContact N-O 2.82Å; G572-P589 VanDerWaalsContact N-O 3.1Å |
| 573 | P | 82 | Confident | 82.2 | Confident | 71 Ų | 71 | 64.1 Ų | 64.1 | 46% | 0.461 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -65.6 | 137.6 | -175.2 | 26.8 | -34.6 | 0 | 0 | 0 | 111.5 | C553 C575 S576 | C553-P573 WeakPolarHBondContact O-CA 3Å; C553-P573 VanDerWaalsContact O-CB 3.26Å; C553-P573 WeakPolarHBondContact O-CB 2.98Å; P573-C575 PolarHBondContact O-N 3.43Å; P573-S576 WeakPolarHBondContact O-CB 3.35Å; P573-S576 PolarHBondContact O-N 3.47Å; P573-S576 VanDerWaalsContact O-N 3.12Å; P573-S576 PolarHBondContact O-OG 3.14Å |
| 574 | N | 81.2 | Confident | 81.6 | Confident | 64 Ų | 64 | 63.3 Ų | 63.3 | 34% | 0.342 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | 52.1 | 12.1 | -168.5 | -74.7 | -28 | 0 | 0 | 0 | 114.7 | C553 W557 T558 S576 | C553-N574 WeakPolarHBondContact CB-OD1 3.33Å; C553-N574 PolarHBondContact N-OD1 2.91Å; C553-N574 PolarHBondContact O-N 3.41Å; C553-N574 PolarHBondContact SG-OD1 3.09Å; W557-N574 WeakPolarHBondContact O-CA 3.24Å; W557-N574 PolarHBondContact O-N 2.02Å; T558-N574 PolarHBondContact OG1-O 3.02Å; N574-S576 PolarHBondContact O-N 2.91Å |
| 575 | C | 82.1 | Confident | 81.4 | Confident | 7 Ų | 7 | 61.6 Ų | 61.6 | 5% | 0.047 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | 56.2 | 35.3 | -171.4 | -46.5 | 0 | 0 | 0 | 0 | 113.2 | T558 C566 R570 W571 G572 P573 | T558-C575 VanDerWaalsContact CB-SG 3.51Å; T558-C575 HydrophobicContact CG2-CB 4.32Å; T558-C575 VanDerWaalsContact CG2-SG 3.55Å; C566-C575 WeakPolarHBondContact CA-SG 3.45Å; C566-C575 HydrophobicContact CB-CB 3.74Å; C566-C575 WeakPolarHBondContact CB-SG 3.05Å; C566-C575 WeakPolarHBondContact SG-CB 3.32Å; C566-C575 CovalentContact SG-SG 2.02Å; C566-C575 PolarHBondContact SG-SG 3.36Å; R570-C575 HydrophobicContact CB-CB 4.01Å; R570-C575 WeakPolarHBondContact CB-O 3.35Å; W571-C575 CarbonylContact O-C 3.58Å; W571-C575 WeakPolarHBondContact O-CA 3.33Å; G572-C575 WeakPolarHBondContact O-CA 3.4Å; G572-C575 PolarHBondContact O-N 3.02Å; P573-C575 PolarHBondContact O-N 3.43Å |
| 576 | S | 83.1 | Confident | 81.4 | Confident | 82 Ų | 82 | 60.6 Ų | 60.6 | 57% | 0.573 | 39% | 0.385 | S | S | * | . | trans | -72.2 | -25.9 | -177.1 | 53.9 | 0 | 0 | 0 | 0 | 113.8 | P573 N574 | P573-S576 WeakPolarHBondContact O-CB 3.35Å; P573-S576 PolarHBondContact O-N 3.47Å; P573-S576 VanDerWaalsContact O-N 3.12Å; P573-S576 PolarHBondContact O-OG 3.14Å; N574-S576 PolarHBondContact O-N 2.91Å | ||
| 577 | V | 81.7 | Confident | 81.4 | Confident | 60 Ų | 60 | 60.8 Ų | 60.8 | 36% | 0.364 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 130.6 | -178 | -163.9 | 0 | 0 | 0 | 0 | 109.8 | R570 W571 | R570-V577 CarbonylContact C-O 3.44Å; R570-V577 VanDerWaalsContact CA-O 3.28Å; R570-V577 WeakPolarHBondContact CA-O 3.26Å; W571-V577 HydrophobicContact CD2-CB 4.27Å; W571-V577 HydrophobicContact CG-CB 4.27Å; W571-V577 HydrophobicContact CZ2-CG1 4Å; W571-V577 PolarHBondContact N-O 2.9Å; W571-V577 VanDerWaalsContact NE1-CG1 3.26Å; W571-V577 WeakPolarHBondContact O-CB 3.49Å; W571-V577 PolarHBondContact O-N 3.41Å; W571-V577 VanDerWaalsContact O-N 3.14Å |
| 578 | S | 83.8 | Confident | 81.5 | Confident | 67 Ų | 67 | 59 Ų | 59 | 47% | 0.469 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 139.1 | 173.7 | -56.7 | 0 | 0 | 0 | 0 | 110.1 | R570 | R570-S578 PolarHBondContact NH1-OG 2.77Å |
| 579 | C | 83.8 | Confident | 81.5 | Confident | 30 Ų | 30 | 55 Ų | 55 | 20% | 0.203 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -75.4 | 139.5 | -175.6 | -61.1 | 0 | 0 | 0 | 0 | 112.6 | G569 R570 C587 | G569-C579 PolarHBondContact O-N 3.39Å; G569-C579 PolarHBondContact O-SG 2.78Å; R570-C579 PolarHBondContact N-SG 3.43Å; R570-C579 VanDerWaalsContact N-SG 3.43Å; C579-C587 HydrophobicContact CB-CB 3.55Å; C579-C587 WeakPolarHBondContact CB-SG 3.41Å; C579-C587 WeakPolarHBondContact SG-CB 3.23Å; C579-C587 CovalentContact SG-SG 2.01Å; C579-C587 PolarHBondContact SG-SG 2.77Å |
| 580 | S | 83.7 | Confident | 81.4 | Confident | 86 Ų | 86 | 59.6 Ų | 59.6 | 60% | 0.601 | 36% | 0.358 | S | S | * | . | trans | -102.1 | 23.7 | -177.7 | -47.6 | 0 | 0 | 0 | 0 | 113.3 | E582 | S580-E582 PolarHBondContact O-N 2.99Š| ||
| 581 | C | 83.9 | Confident | 81.3 | Confident | 25 Ų | 25 | 58.6 Ų | 58.6 | 17% | 0.169 | 36% | 0.361 | C | S | . | . | trans | -75.5 | 122.4 | 179.7 | -51.6 | 0 | 0 | 0 | 0 | 110.5 | G585 C594 | C581-G585 VanDerWaalsContact CB-O 3.32Å; C581-G585 WeakPolarHBondContact CB-O 3.42Å; C581-C594 WeakPolarHBondContact CA-SG 3.42Å; C581-C594 HydrophobicContact CB-CB 3.8Å; C581-C594 WeakPolarHBondContact CB-SG 3.47Å; C581-C594 VanDerWaalsContact SG-CA 3.58Å; C581-C594 WeakPolarHBondContact SG-CB 3.39Å; C581-C594 CovalentContact SG-SG 2.04Å; C581-C594 PolarHBondContact SG-SG 3.36Å | ||
| 582 | E | 80.8 | Confident | 80.8 | Confident | 99 Ų | 99 | 55.6 Ų | 55.6 | 46% | 0.463 | 35% | 0.354 | S | S | . | . | trans | -83.4 | 172.3 | 178.6 | -63.1 | -179.9 | -167.5 | 0 | 0 | 112 | S580 G584 G585 L604 C605 Q606 | S580-E582 PolarHBondContact O-N 2.99Å; E582-G584 PolarHBondContact O-N 2.89Å; E582-G585 PolarHBondContact O-N 3.2Å; E582-L604 WeakPolarHBondContact CB-O 3.49Å; E582-L604 PolarHBondContact N-O 3.16Å; E582-C605 WeakPolarHBondContact O-CB 3.15Å; E582-Q606 WeakPolarHBondContact OE2-CA 3.29Å; E582-Q606 WeakPolarHBondContact OE2-CB 3.44Å | ||
| 583 | N | 77.4 | Confident | 80.9 | Confident | 80 Ų | 80 | 58.3 Ų | 58.3 | 43% | 0.428 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 28.9 | 168.9 | -56.7 | -57.9 | 0 | 0 | 0 | 115.5 | F600 C605 | N583-F600 HydrophobicContact CB-CB 4.47Å; N583-F600 HydrophobicContact CB-CD1 3.46Å; N583-F600 VanDerWaalsContact CB-CD1 3.46Å; N583-F600 HydrophobicContact CB-CD2 4.05Å; N583-F600 HydrophobicContact CB-CE1 3.55Å; N583-F600 HydrophobicContact CB-CE2 4.13Å; N583-F600 HydrophobicContact CB-CG 3.72Å; N583-F600 HydrophobicContact CB-CZ 3.89Å; N583-C605 PolarHBondContact ND2-O 3.22Å |
| 584 | G | 72.8 | Confident | 81 | Confident | 72 Ų | 72 | 56 Ų | 56 | 74% | 0.742 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 14.2 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | E582 | E582-G584 PolarHBondContact O-N 2.89Š|
| 585 | G | 76.7 | Confident | 81.2 | Confident | 15 Ų | 15 | 58.4 Ų | 58.4 | 16% | 0.155 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 143.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | C581 E582 E595 | C581-G585 VanDerWaalsContact CB-O 3.32Å; C581-G585 WeakPolarHBondContact CB-O 3.42Å; E582-G585 PolarHBondContact O-N 3.2Å; G585-E595 CarbonylContact C-O 3.5Å; G585-E595 WeakPolarHBondContact CA-O 3.45Å |
| 586 | S | 81.5 | Confident | 81.3 | Confident | 66 Ų | 66 | 58.7 Ų | 58.7 | 46% | 0.462 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 148.9 | 172.9 | 39.6 | 0 | 0 | 0 | 0 | 110.9 | C594 E595 | S586-C594 CarbonylContact O-C 3.49Å; S586-C594 WeakPolarHBondContact O-CA 3.35Å; S586-E595 PolarHBondContact N-O 2.85Å; S586-E595 PolarHBondContact O-N 2.68Å |
| 587 | C | 85.1 | Confident | 81.2 | Confident | 19 Ų | 19 | 56 Ų | 56 | 13% | 0.128 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 146.7 | 175.5 | 47.6 | 0 | 0 | 0 | 0 | 112.2 | C579 S593 | C579-C587 HydrophobicContact CB-CB 3.55Å; C579-C587 WeakPolarHBondContact CB-SG 3.41Å; C579-C587 WeakPolarHBondContact SG-CB 3.23Å; C579-C587 CovalentContact SG-SG 2.01Å; C579-C587 PolarHBondContact SG-SG 2.77Å; C587-S593 CarbonylContact C-O 3.6Å; C587-S593 WeakPolarHBondContact CA-O 3.01Å |
| 588 | S | 83.6 | Confident | 81.2 | Confident | 33 Ų | 33 | 55.9 Ų | 55.9 | 23% | 0.231 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 130.6 | 159.2 | 164.7 | 0 | 0 | 0 | 0 | 110.6 | E590 D591 G592 S593 | S588-E590 VanDerWaalsContact C-N 3.29Å; S588-E590 PolarHBondContact O-N 3.17Å; S588-E590 PolarHBondContact OG-N 3.32Å; S588-D591 WeakPolarHBondContact CB-OD1 3.32Å; S588-D591 PolarHBondContact OG-OD1 3.39Å; S588-G592 VanDerWaalsContact O-CA 3.3Å; S588-G592 WeakPolarHBondContact O-CA 3.38Å; S588-G592 PolarHBondContact O-N 2.9Å; S588-G592 VanDerWaalsContact O-N 3.1Å; S588-S593 VanDerWaalsContact CB-OG 3.31Å; S588-S593 WeakPolarHBondContact CB-OG 3.31Å; S588-S593 PolarHBondContact N-O 2.79Å |
| 589 | P | 76.8 | Confident | 81.1 | Confident | 47 Ų | 47 | 52.7 Ų | 52.7 | 31% | 0.305 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -35.4 | 175.6 | -28.9 | 37.7 | 0 | 0 | 0 | 114.4 | G556 C566 W571 G572 | G556-P589 VanDerWaalsContact CA-O 3.24Å; G556-P589 WeakPolarHBondContact CA-O 3.48Å; G556-P589 PolarHBondContact N-O 2.03Å; C566-P589 HydrophobicContact CB-CB 3.94Å; W571-P589 WeakPolarHBondContact CA-O 3.28Å; W571-P589 WeakPolarHBondContact CB-O 3.43Å; G572-P589 PolarHBondContact N-O 2.82Å; G572-P589 VanDerWaalsContact N-O 3.1Å |
| 590 | E | 76.1 | Confident | 81.2 | Confident | 134 Ų | 134 | 52.9 Ų | 52.9 | 63% | 0.626 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -50 | -166.6 | -61.8 | -179.8 | -173 | 0 | 0 | 112.1 | A555 S588 | A555-E590 WeakPolarHBondContact CB-O 3.25Å; S588-E590 VanDerWaalsContact C-N 3.29Å; S588-E590 PolarHBondContact O-N 3.17Å; S588-E590 PolarHBondContact OG-N 3.32Å |
| 591 | D | 82.4 | Confident | 81.2 | Confident | 95 Ų | 95 | 53 Ų | 53 | 51% | 0.508 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | -1.2 | -173 | 77.1 | -26.7 | 0 | 0 | 0 | 114.2 | W571 S588 S593 | W571-D591 VanDerWaalsContact CZ3-C 3.45Å; W571-D591 WeakPolarHBondContact CZ3-O 3Å; S588-D591 WeakPolarHBondContact CB-OD1 3.32Å; S588-D591 PolarHBondContact OG-OD1 3.39Å; D591-S593 VanDerWaalsContact CG-OG 3.31Å; D591-S593 PolarHBondContact O-N 3.33Å; D591-S593 WeakPolarHBondContact OD1-CB 3.01Å; D591-S593 PolarHBondContact OD1-N 2.69Å; D591-S593 VanDerWaalsContact OD1-N 3.15Å; D591-S593 PolarHBondContact OD1-OG 3.47Å; D591-S593 WeakPolarHBondContact OD2-CB 3.44Å; D591-S593 PolarHBondContact OD2-OG 3.26Å |
| 592 | G | 77.3 | Confident | 81 | Confident | 14 Ų | 14 | 53.2 Ų | 53.2 | 14% | 0.144 | 32% | 0.322 | C | S | . | . | trans | 72.5 | 4.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | W571 S588 | W571-G592 VanDerWaalsContact CE3-N 3.26Å; S588-G592 VanDerWaalsContact O-CA 3.3Å; S588-G592 WeakPolarHBondContact O-CA 3.38Å; S588-G592 PolarHBondContact O-N 2.9Å; S588-G592 VanDerWaalsContact O-N 3.1Å | ||
| 593 | S | 82.8 | Confident | 80.9 | Confident | 59 Ų | 59 | 53.3 Ų | 53.3 | 41% | 0.413 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 137.1 | -179.5 | 60.3 | 0 | 0 | 0 | 0 | 111.8 | C587 S588 D591 | C587-S593 CarbonylContact C-O 3.6Å; C587-S593 WeakPolarHBondContact CA-O 3.01Å; S588-S593 VanDerWaalsContact CB-OG 3.31Å; S588-S593 WeakPolarHBondContact CB-OG 3.31Å; S588-S593 PolarHBondContact N-O 2.79Å; D591-S593 VanDerWaalsContact CG-OG 3.31Å; D591-S593 PolarHBondContact O-N 3.33Å; D591-S593 WeakPolarHBondContact OD1-CB 3.01Å; D591-S593 PolarHBondContact OD1-N 2.69Å; D591-S593 VanDerWaalsContact OD1-N 3.15Å; D591-S593 PolarHBondContact OD1-OG 3.47Å; D591-S593 WeakPolarHBondContact OD2-CB 3.44Å; D591-S593 PolarHBondContact OD2-OG 3.26Å |
| 594 | C | 85.5 | Confident | 81.2 | Confident | 23 Ų | 23 | 52.8 Ų | 52.8 | 16% | 0.155 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 117.9 | -173 | -62.3 | 0 | 0 | 0 | 0 | 112.9 | C581 S586 | C581-C594 WeakPolarHBondContact CA-SG 3.42Å; C581-C594 HydrophobicContact CB-CB 3.8Å; C581-C594 WeakPolarHBondContact CB-SG 3.47Å; C581-C594 VanDerWaalsContact SG-CA 3.58Å; C581-C594 WeakPolarHBondContact SG-CB 3.39Å; C581-C594 CovalentContact SG-SG 2.04Å; C581-C594 PolarHBondContact SG-SG 3.36Å; S586-C594 CarbonylContact O-C 3.49Å; S586-C594 WeakPolarHBondContact O-CA 3.35Å |
| 595 | E | 83.4 | Confident | 81.7 | Confident | 114 Ų | 114 | 49.3 Ų | 49.3 | 53% | 0.533 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 123.5 | 161.9 | -178.5 | 166.6 | -138.7 | 0 | 0 | 109.7 | G585 S586 H616 | G585-E595 CarbonylContact C-O 3.5Å; G585-E595 WeakPolarHBondContact CA-O 3.45Å; S586-E595 PolarHBondContact N-O 2.85Å; S586-E595 PolarHBondContact O-N 2.68Å; E595-H616 IonicContact OE1-CE1 2.72Å; E595-H616 PolarHBondContact OE1-CE1 2.78Å; E595-H616 IonicContact OE1-NE2 3.77Å |
| 596 | C | 84.7 | Confident | 82.1 | Confident | 12 Ų | 12 | 52.1 Ų | 52.1 | 8% | 0.081 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -95.3 | 130.8 | -168.5 | -57.2 | 0 | 0 | 0 | 0 | 113.5 | F600 C605 H616 | C596-F600 HydrophobicContact CB-CB 4.25Å; C596-F600 VanDerWaalsContact CB-O 3.31Å; C596-F600 WeakPolarHBondContact CB-O 3.22Å; C596-C605 WeakPolarHBondContact CA-SG 3.44Å; C596-C605 HydrophobicContact CB-CB 3.74Å; C596-C605 WeakPolarHBondContact CB-SG 3.2Å; C596-C605 WeakPolarHBondContact SG-CA 3.41Å; C596-C605 WeakPolarHBondContact SG-CB 3.19Å; C596-C605 CovalentContact SG-SG 2.04Å; C596-C605 PolarHBondContact SG-SG 2.02Å; C596-H616 PolarHBondContact O-NE2 2.92Å |
| 597 | A | 81 | Confident | 82.1 | Confident | 26 Ų | 26 | 55.8 Ų | 55.8 | 22% | 0.215 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -50.6 | 150.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G599 F600 | A597-G599 PolarHBondContact O-N 3.34Å; A597-F600 HydrophobicContact CB-CD2 4.39Å; A597-F600 PolarHBondContact O-N 2.85Å; A597-F600 VanDerWaalsContact O-N 3.07Å |
| 598 | P | 82.8 | Confident | 82.1 | Confident | 58 Ų | 58 | 59.4 Ų | 59.4 | 38% | 0.377 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | 131 | -179.3 | -29.8 | 36.5 | 0 | 0 | 0 | 113.3 | F600 H616 V635 | P598-F600 WeakPolarHBondContact O-CD2 3.34Å; P598-H616 HydrophobicContact CG-CB 4.46Å; P598-V635 HydrophobicContact CB-CG1 4.42Å; P598-V635 WeakPolarHBondContact O-CG1 3.35Å |
| 599 | G | 80.6 | Confident | 82.2 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.6 | -1.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | A597 I608 C609 G615 H634 | A597-G599 PolarHBondContact O-N 3.34Å; G599-I608 WeakPolarHBondContact O-CA 2.98Å; G599-C609 WeakPolarHBondContact CA-SG 3.45Å; G599-C609 PolarHBondContact O-N 2.03Å; G599-C609 PolarHBondContact O-SG 2.02Å; G599-C609 VanDerWaalsContact O-SG 3.42Å; G599-G615 PolarHBondContact N-O 3.12Å; G599-H634 WeakPolarHBondContact CA-O 3.1Å; G599-H634 PolarHBondContact O-ND1 2.99Å |
| 600 | F | 85.6 | Confident | 82.5 | Confident | 34 Ų | 34 | 57.6 Ų | 57.6 | 15% | 0.149 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 158.1 | -179.7 | -57.8 | -86.7 | 0 | 0 | 0 | 112.5 | N583 C596 A597 P598 C605 R607 I608 H634 V635 | N583-F600 HydrophobicContact CB-CB 4.47Å; N583-F600 HydrophobicContact CB-CD1 3.46Å; N583-F600 VanDerWaalsContact CB-CD1 3.46Å; N583-F600 HydrophobicContact CB-CD2 4.05Å; N583-F600 HydrophobicContact CB-CE1 3.55Å; N583-F600 HydrophobicContact CB-CE2 4.13Å; N583-F600 HydrophobicContact CB-CG 3.72Å; N583-F600 HydrophobicContact CB-CZ 3.89Å; C596-F600 HydrophobicContact CB-CB 4.25Å; C596-F600 VanDerWaalsContact CB-O 3.31Å; C596-F600 WeakPolarHBondContact CB-O 3.22Å; A597-F600 HydrophobicContact CB-CD2 4.39Å; A597-F600 PolarHBondContact O-N 2.85Å; A597-F600 VanDerWaalsContact O-N 3.07Å; P598-F600 WeakPolarHBondContact O-CD2 3.34Å; F600-C605 HydrophobicContact CB-CB 4.44Å; F600-R607 CarbonylContact C-O 3.55Å; F600-R607 WeakPolarHBondContact CA-O 3.18Å; F600-I608 HydrophobicContact CD1-CG2 4.13Å; F600-I608 HydrophobicContact CE1-CG2 3.88Å; F600-H634 AromaticContact CE1-CE1 3.94Å; F600-H634 AromaticContact CZ-CE1 3.71Å; F600-V635 HydrophobicContact CE2-CG2 4.08Å |
| 601 | R | 84.6 | Confident | 82.6 | Confident | 88 Ų | 88 | 56.7 Ų | 56.7 | 33% | 0.332 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 170.6 | -175.3 | 61.9 | 175 | -173 | 123.6 | -0.4 | 111.9 | C605 R607 I608 | R601-C605 CarbonylContact O-C 3.48Å; R601-R607 HydrophobicContact CG-CB 4.18Å; R601-R607 WeakPolarHBondContact CG-O 3.44Å; R601-R607 PolarHBondContact N-O 3.36Å; R601-R607 WeakPolarHBondContact O-CB 3.05Å; R601-R607 PolarHBondContact O-N 2.75Å; R601-R607 VanDerWaalsContact O-N 3.14Å; R601-R607 VanDerWaalsContact O-O 3.11Å; R601-I608 PolarHBondContact NE-O 2.83Å |
| 602 | G | 79.6 | Confident | 82.5 | Confident | 30 Ų | 30 | 53.4 Ų | 53.4 | 31% | 0.309 | 31% | 0.307 | S | S | . | . | S | Bend | trans | 99.5 | 164.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L604 C605 | G602-L604 PolarHBondContact O-N 3.19Å; G602-L604 VanDerWaalsContact O-N 3.09Å; G602-C605 PolarHBondContact O-N 3Å |
| 603 | P | 78.9 | Confident | 82.9 | Confident | 101 Ų | 101 | 57.3 Ų | 57.3 | 66% | 0.656 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -16.8 | -168 | 27 | -35.7 | 0 | 0 | 0 | 114.6 | ||
| 604 | L | 83.9 | Confident | 83.1 | Confident | 68 Ų | 68 | 56.8 Ų | 56.8 | 36% | 0.356 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | 17.9 | 172.6 | -59 | 174 | 0 | 0 | 0 | 111.6 | E582 G602 Q606 | E582-L604 WeakPolarHBondContact CB-O 3.49Å; E582-L604 PolarHBondContact N-O 3.16Å; G602-L604 PolarHBondContact O-N 3.19Å; G602-L604 VanDerWaalsContact O-N 3.09Å; L604-Q606 PolarHBondContact O-N 3.46Å; L604-Q606 VanDerWaalsContact O-N 3.09Å |
| 605 | C | 82.8 | Confident | 82.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.306 | C | S | . | . | S | Bend | trans | 57.5 | 21.2 | -175.6 | -50.8 | 0 | 0 | 0 | 0 | 115.1 | E582 N583 C596 F600 R601 G602 R607 | E582-C605 WeakPolarHBondContact O-CB 3.15Å; N583-C605 PolarHBondContact ND2-O 3.22Å; C596-C605 WeakPolarHBondContact CA-SG 3.44Å; C596-C605 HydrophobicContact CB-CB 3.74Å; C596-C605 WeakPolarHBondContact CB-SG 3.2Å; C596-C605 WeakPolarHBondContact SG-CA 3.41Å; C596-C605 WeakPolarHBondContact SG-CB 3.19Å; C596-C605 CovalentContact SG-SG 2.04Å; C596-C605 PolarHBondContact SG-SG 2.02Å; F600-C605 HydrophobicContact CB-CB 4.44Å; R601-C605 CarbonylContact O-C 3.48Å; G602-C605 PolarHBondContact O-N 3Å; C605-R607 PolarHBondContact O-N 3.24Å |
| 606 | Q | 85.3 | Confident | 82.8 | Confident | 73 Ų | 73 | 54.4 Ų | 54.4 | 34% | 0.341 | 30% | 0.298 | S | S | . | . | trans | -78.7 | 4.1 | -174.1 | 73.7 | -82.8 | 70.6 | 0 | 0 | 114.4 | E582 L604 | E582-Q606 WeakPolarHBondContact OE2-CA 3.29Å; E582-Q606 WeakPolarHBondContact OE2-CB 3.44Å; L604-Q606 PolarHBondContact O-N 3.46Å; L604-Q606 VanDerWaalsContact O-N 3.09Å | ||
| 607 | R | 81.3 | Confident | 82.4 | Confident | 143 Ų | 143 | 57.7 Ų | 57.7 | 54% | 0.54 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 136.2 | -177.4 | -48 | -178.5 | 70.4 | 176 | 4.7 | 110.4 | F600 R601 C605 | F600-R607 CarbonylContact C-O 3.55Å; F600-R607 WeakPolarHBondContact CA-O 3.18Å; R601-R607 HydrophobicContact CG-CB 4.18Å; R601-R607 WeakPolarHBondContact CG-O 3.44Å; R601-R607 PolarHBondContact N-O 3.36Å; R601-R607 WeakPolarHBondContact O-CB 3.05Å; R601-R607 PolarHBondContact O-N 2.75Å; R601-R607 VanDerWaalsContact O-N 3.14Å; R601-R607 VanDerWaalsContact O-O 3.11Å; C605-R607 PolarHBondContact O-N 3.24Å |
| 608 | I | 85.9 | Confident | 82.5 | Confident | 95 Ų | 95 | 57.2 Ų | 57.2 | 49% | 0.487 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 164 | 167.2 | 62.2 | 172.5 | 0 | 0 | 0 | 111.7 | G599 F600 R601 H634 | G599-I608 WeakPolarHBondContact O-CA 2.98Å; F600-I608 HydrophobicContact CD1-CG2 4.13Å; F600-I608 HydrophobicContact CE1-CG2 3.88Å; R601-I608 PolarHBondContact NE-O 2.83Å; I608-H634 VanDerWaalsContact CG2-CE1 3.42Å; I608-H634 WeakPolarHBondContact CG2-CE1 3.19Å |
| 609 | C | 84.3 | Confident | 82.4 | Confident | 6 Ų | 6 | 58.1 Ų | 58.1 | 4% | 0.041 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 155.3 | 171.4 | -65.3 | 0 | 0 | 0 | 0 | 113 | G599 F613 C618 H634 | G599-C609 WeakPolarHBondContact CA-SG 3.45Å; G599-C609 PolarHBondContact O-N 2.03Å; G599-C609 PolarHBondContact O-SG 2.02Å; G599-C609 VanDerWaalsContact O-SG 3.42Å; C609-F613 HydrophobicContact CB-CB 4.49Å; C609-F613 WeakPolarHBondContact CB-O 3.05Å; C609-C618 WeakPolarHBondContact CA-SG 3.42Å; C609-C618 HydrophobicContact CB-CB 3.72Å; C609-C618 WeakPolarHBondContact CB-SG 3.33Å; C609-C618 WeakPolarHBondContact SG-CA 3.5Å; C609-C618 WeakPolarHBondContact SG-CB 3.49Å; C609-C618 CovalentContact SG-SG 2.03Å; C609-C618 PolarHBondContact SG-SG 2.04Å; C609-H634 HydrophobicContact CB-CB 4.13Å |
| 610 | A | 84.1 | Confident | 82.7 | Confident | 37 Ų | 37 | 62.9 Ų | 62.9 | 31% | 0.306 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 147.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | G612 F613 | A610-G612 PolarHBondContact O-N 3.18Å; A610-F613 HydrophobicContact CB-CD2 4.46Å; A610-F613 PolarHBondContact O-N 3.36Å |
| 611 | P | 78.7 | Confident | 82.6 | Confident | 114 Ų | 114 | 65.4 Ų | 65.4 | 74% | 0.74 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.3 | 127.2 | 173.4 | -30.2 | 36.9 | 0 | 0 | 0 | 111.7 | P631 | P611-P631 HydrophobicContact CB-CG 4.21Š|
| 612 | G | 79.4 | Confident | 82.5 | Confident | 26 Ų | 26 | 62.5 Ų | 62.5 | 27% | 0.268 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | 7.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | A610 P621 C622 | A610-G612 PolarHBondContact O-N 3.18Å; G612-P621 CarbonylContact O-C 3.52Å; G612-P621 WeakPolarHBondContact O-CA 2.99Å; G612-C622 PolarHBondContact O-N 2.71Å |
| 613 | F | 85.6 | Confident | 82.5 | Confident | 97 Ų | 97 | 63.3 Ų | 63.3 | 43% | 0.425 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 147.4 | 175.2 | -67.2 | -92.2 | 0 | 0 | 0 | 112.5 | C609 A610 C618 Q620 P621 | C609-F613 HydrophobicContact CB-CB 4.49Å; C609-F613 WeakPolarHBondContact CB-O 3.05Å; A610-F613 HydrophobicContact CB-CD2 4.46Å; A610-F613 PolarHBondContact O-N 3.36Å; F613-C618 HydrophobicContact CB-CB 4.28Å; F613-C618 WeakPolarHBondContact CD1-O 3.34Å; F613-Q620 CarbonylContact C-O 3.59Å; F613-Q620 VanDerWaalsContact CA-O 3.31Å; F613-Q620 WeakPolarHBondContact CA-O 3.22Å; F613-P621 HydrophobicContact CD1-CB 4.44Å; F613-P621 HydrophobicContact CE1-CB 4.25Å |
| 614 | Y | 87.1 | Confident | 82.5 | Confident | 48 Ų | 48 | 65.9 Ų | 65.9 | 19% | 0.188 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 176.2 | -179.2 | 76.6 | -88.3 | 0 | 0 | 0 | 112.9 | C618 Q620 P621 C632 H634 G637 | Y614-C618 CarbonylContact O-C 3.56Å; Y614-Q620 HydrophobicContact CD1-CB 4.07Å; Y614-Q620 WeakPolarHBondContact CD1-O 3.01Å; Y614-Q620 HydrophobicContact CD2-CB 4.29Å; Y614-Q620 HydrophobicContact CE1-CB 3.76Å; Y614-Q620 HydrophobicContact CE2-CB 3.95Å; Y614-Q620 HydrophobicContact CG-CB 4.33Å; Y614-Q620 PolarHBondContact N-O 3.39Å; Y614-Q620 PolarHBondContact O-N 2.95Å; Y614-Q620 VanDerWaalsContact O-N 3.15Å; Y614-Q620 PolarHBondContact OH-OE1 3.13Å; Y614-P621 WeakPolarHBondContact CE1-O 3.31Å; Y614-C632 VanDerWaalsContact CD1-SG 3.52Å; Y614-H634 WeakPolarHBondContact CA-O 3.37Å; Y614-H634 WeakPolarHBondContact CB-O 3.23Å; Y614-G637 VanDerWaalsContact CD2-N 3.33Å; Y614-G637 VanDerWaalsContact CG-CA 3.44Å |
| 615 | G | 80.5 | Confident | 82.5 | Confident | 7 Ų | 7 | 64 Ų | 64 | 7% | 0.072 | 36% | 0.362 | C | S | . | . | S | Bend | trans | 81.7 | -169.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | G599 S617 C618 H634 | G599-G615 PolarHBondContact N-O 3.12Å; G615-S617 PolarHBondContact O-N 2.89Å; G615-C618 PolarHBondContact O-N 2.96Å; G615-C618 VanDerWaalsContact O-N 3.11Å; G615-H634 PolarHBondContact N-O 3.37Å; G615-H634 VanDerWaalsContact N-O 3.14Å |
| 616 | H | 81.8 | Confident | 82.4 | Confident | 79 Ų | 79 | 68.1 Ų | 68.1 | 37% | 0.366 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -60 | 133.7 | -178.1 | -158.5 | -91.1 | 0 | 0 | 0 | 111.2 | E595 C596 P598 C618 A619 | E595-H616 IonicContact OE1-CE1 2.72Å; E595-H616 PolarHBondContact OE1-CE1 2.78Å; E595-H616 IonicContact OE1-NE2 3.77Å; C596-H616 PolarHBondContact O-NE2 2.92Å; P598-H616 HydrophobicContact CG-CB 4.46Å; H616-C618 PolarHBondContact O-N 2.76Å; H616-A619 WeakPolarHBondContact O-CB 3.44Å; H616-A619 PolarHBondContact O-N 2.93Å |
| 617 | S | 76.2 | Confident | 82.1 | Confident | 82 Ų | 82 | 67.4 Ų | 67.4 | 57% | 0.573 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | 52.5 | 16.3 | -175.8 | -42.3 | 0 | 0 | 0 | 0 | 114.9 | G615 A619 | G615-S617 PolarHBondContact O-N 2.89Å; S617-A619 VanDerWaalsContact C-N 3.25Å; S617-A619 PolarHBondContact O-N 2.98Å |
| 618 | C | 82.6 | Confident | 82 | Confident | 16 Ų | 16 | 61.7 Ų | 61.7 | 11% | 0.108 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | 58.8 | 28.7 | -171.3 | -48.9 | 0 | 0 | 0 | 0 | 114.9 | C609 F613 Y614 G615 H616 Q620 | C609-C618 WeakPolarHBondContact CA-SG 3.42Å; C609-C618 HydrophobicContact CB-CB 3.72Å; C609-C618 WeakPolarHBondContact CB-SG 3.33Å; C609-C618 WeakPolarHBondContact SG-CA 3.5Å; C609-C618 WeakPolarHBondContact SG-CB 3.49Å; C609-C618 CovalentContact SG-SG 2.03Å; C609-C618 PolarHBondContact SG-SG 2.04Å; F613-C618 HydrophobicContact CB-CB 4.28Å; F613-C618 WeakPolarHBondContact CD1-O 3.34Å; Y614-C618 CarbonylContact O-C 3.56Å; G615-C618 PolarHBondContact O-N 2.96Å; G615-C618 VanDerWaalsContact O-N 3.11Å; H616-C618 PolarHBondContact O-N 2.76Å; C618-Q620 PolarHBondContact O-N 2.89Å |
| 619 | A | 81.8 | Confident | 81.4 | Confident | 76 Ų | 76 | 60.9 Ų | 60.9 | 63% | 0.628 | 37% | 0.369 | S | S | * | . | trans | -75 | -17.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115 | H616 S617 | H616-A619 WeakPolarHBondContact O-CB 3.44Å; H616-A619 PolarHBondContact O-N 2.93Å; S617-A619 VanDerWaalsContact C-N 3.25Å; S617-A619 PolarHBondContact O-N 2.98Å | ||
| 620 | Q | 85.8 | Confident | 80.9 | Confident | 100 Ų | 100 | 62.2 Ų | 62.2 | 47% | 0.467 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 127.3 | -176.6 | -59.9 | -170.5 | 8.8 | 0 | 0 | 110.9 | F613 Y614 C618 | F613-Q620 CarbonylContact C-O 3.59Å; F613-Q620 VanDerWaalsContact CA-O 3.31Å; F613-Q620 WeakPolarHBondContact CA-O 3.22Å; Y614-Q620 HydrophobicContact CD1-CB 4.07Å; Y614-Q620 WeakPolarHBondContact CD1-O 3.01Å; Y614-Q620 HydrophobicContact CD2-CB 4.29Å; Y614-Q620 HydrophobicContact CE1-CB 3.76Å; Y614-Q620 HydrophobicContact CE2-CB 3.95Å; Y614-Q620 HydrophobicContact CG-CB 4.33Å; Y614-Q620 PolarHBondContact N-O 3.39Å; Y614-Q620 PolarHBondContact O-N 2.95Å; Y614-Q620 VanDerWaalsContact O-N 3.15Å; Y614-Q620 PolarHBondContact OH-OE1 3.13Å; C618-Q620 PolarHBondContact O-N 2.89Å |
| 621 | P | 84.1 | Confident | 80.5 | Confident | 88 Ų | 88 | 64.1 Ų | 64.1 | 57% | 0.571 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 140.1 | 173.5 | 31 | -33.8 | 0 | 0 | 0 | 110.5 | G612 F613 Y614 | G612-P621 CarbonylContact O-C 3.52Å; G612-P621 WeakPolarHBondContact O-CA 2.99Å; F613-P621 HydrophobicContact CD1-CB 4.44Å; F613-P621 HydrophobicContact CE1-CB 4.25Å; Y614-P621 WeakPolarHBondContact CE1-O 3.31Å |
| 622 | C | 82.8 | Confident | 80.6 | Confident | 26 Ų | 26 | 59 Ų | 59 | 18% | 0.176 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 141.3 | 177.4 | -80 | 0 | 0 | 0 | 0 | 112.3 | G612 C632 | G612-C622 PolarHBondContact O-N 2.71Å; C622-C632 WeakPolarHBondContact CA-SG 3.3Å; C622-C632 HydrophobicContact CB-CB 3.69Å; C622-C632 WeakPolarHBondContact CB-SG 3.44Å; C622-C632 WeakPolarHBondContact SG-CB 3.48Å; C622-C632 PolarHBondContact SG-N 2.97Å; C622-C632 VanDerWaalsContact SG-N 3.42Å; C622-C632 CovalentContact SG-SG 2.03Å; C622-C632 PolarHBondContact SG-SG 3.36Å |
| 623 | P | 79.1 | Confident | 80.8 | Confident | 48 Ų | 48 | 62.2 Ų | 62.2 | 31% | 0.312 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 160.2 | 164 | 32.1 | -36.3 | 0 | 0 | 0 | 110.9 | C625 C632 G637 L649 | P623-C625 PolarHBondContact O-N 2.02Å; P623-C632 HydrophobicContact CG-CB 4.5Å; P623-G637 WeakPolarHBondContact CG-O 3.46Å; P623-L649 HydrophobicContact CB-CD2 3.65Å; P623-L649 HydrophobicContact CG-CD2 4.18Å |
| 624 | L | 80.4 | Confident | 80.5 | Confident | 154 Ų | 154 | 59.7 Ų | 59.7 | 81% | 0.806 | 36% | 0.357 | S | S | * | . | trans | -74.8 | 95.5 | -179.8 | -123.8 | 84.3 | 0 | 0 | 0 | 111 | V626 | L624-V626 PolarHBondContact O-N 2.96Š| ||
| 625 | C | 82.4 | Confident | 80.3 | Confident | 29 Ų | 29 | 60.1 Ų | 60.1 | 20% | 0.196 | 36% | 0.364 | C | S | . | . | trans | -71.3 | 119.9 | 170 | -52.6 | 0 | 0 | 0 | 0 | 109.8 | P623 C639 | P623-C625 PolarHBondContact O-N 2.02Å; C625-C639 WeakPolarHBondContact CA-SG 3.49Å; C625-C639 HydrophobicContact CB-CB 3.62Å; C625-C639 WeakPolarHBondContact CB-SG 3.01Å; C625-C639 VanDerWaalsContact SG-CA 3.58Å; C625-C639 WeakPolarHBondContact SG-CB 3.39Å; C625-C639 CovalentContact SG-SG 2.03Å; C625-C639 PolarHBondContact SG-SG 2.75Å | ||
| 626 | V | 81.3 | Confident | 80.4 | Confident | 87 Ų | 87 | 62.4 Ų | 62.4 | 53% | 0.527 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -88.2 | -56.8 | -171.6 | -171.4 | 0 | 0 | 0 | 0 | 112.3 | L624 L649 N651 | L624-V626 PolarHBondContact O-N 2.96Å; V626-L649 PolarHBondContact N-O 3.25Å; V626-N651 HydrophobicContact CG2-CB 4.22Å |
| 627 | H | 79.4 | Confident | 80.2 | Confident | 57 Ų | 57 | 59 Ų | 59 | 26% | 0.264 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -114.3 | 73.8 | 178.2 | -50.1 | 95.7 | 0 | 0 | 0 | 109.6 | L642 F645 C650 | H627-L642 HydrophobicContact CB-CD1 4.44Å; H627-L642 PolarHBondContact O-N 3.01Å; H627-F645 HydrophobicContact CB-CB 4.16Å; H627-F645 HydrophobicContact CB-CD1 3.83Å; H627-F645 HydrophobicContact CB-CD2 3.71Å; H627-F645 HydrophobicContact CB-CE1 4.1Å; H627-F645 HydrophobicContact CB-CE2 4Å; H627-F645 HydrophobicContact CB-CG 3.62Å; H627-F645 HydrophobicContact CB-CZ 4.18Å; H627-F645 AromaticContact CD2-CE1 3.73Å; H627-F645 AromaticContact CD2-CZ 3.69Å; H627-F645 AromaticContact CE1-CE1 3.62Å; H627-F645 AromaticContact CG-CD1 3.62Å; H627-F645 AromaticContact CG-CE1 3.51Å; H627-F645 AromaticContact CG-CG 3.96Å; H627-F645 AromaticContact CG-CZ 3.76Å; H627-F645 AromaticContact ND1-CD1 3.45Å; H627-F645 WeakPolarHBondContact ND1-CD1 3.41Å; H627-F645 AromaticContact ND1-CE1 3.44Å; H627-F645 WeakPolarHBondContact ND1-CE1 3.49Å; H627-F645 AromaticContact NE2-CE1 3.81Å; H627-C650 HydrophobicContact CB-CB 4.46Å; H627-C650 WeakPolarHBondContact CB-O 3.27Å; H627-C650 PolarHBondContact N-O 3.11Å; H627-C650 PolarHBondContact ND1-O 3.44Å; H627-C650 VanDerWaalsContact O-CB 3.27Å; H627-C650 WeakPolarHBondContact O-CB 3.42Å |
| 628 | S | 79.6 | Confident | 80.5 | Confident | 23 Ų | 23 | 60.2 Ų | 60.2 | 16% | 0.161 | 37% | 0.365 | C | S | . | . | B | Isolated β-bridge | trans | -126 | 156 | -174.2 | -176.1 | 0 | 0 | 0 | 0 | 112 | G630 E640 | S628-G630 WeakPolarHBondContact CB-O 3.47Å; S628-G630 PolarHBondContact O-N 2.97Å; S628-G630 PolarHBondContact OG-N 3.42Å; S628-G630 PolarHBondContact OG-O 2.99Å; S628-G630 VanDerWaalsContact OG-O 3.13Å; S628-E640 VanDerWaalsContact CA-O 3.24Å; S628-E640 WeakPolarHBondContact CA-O 3.29Å; S628-E640 VanDerWaalsContact CB-O 3.24Å; S628-E640 WeakPolarHBondContact CB-O 3.17Å; S628-E640 PolarHBondContact OG-O 3.4Å |
| 629 | S | 73.3 | Confident | 80.5 | Confident | 79 Ų | 79 | 59.8 Ų | 59.8 | 55% | 0.552 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -63 | -23.4 | 172 | 54.1 | 0 | 0 | 0 | 0 | 113 | E640 | S629-E640 PolarHBondContact N-O 3.05Å; S629-E640 PolarHBondContact OG-OE2 2.99Å |
| 630 | G | 73.6 | Confident | 80.6 | Confident | 34 Ų | 34 | 61 Ų | 61 | 35% | 0.351 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -170.8 | -160.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S628 | S628-G630 WeakPolarHBondContact CB-O 3.47Å; S628-G630 PolarHBondContact O-N 2.97Å; S628-G630 PolarHBondContact OG-N 3.42Å; S628-G630 PolarHBondContact OG-O 2.99Å; S628-G630 VanDerWaalsContact OG-O 3.13Å |
| 631 | P | 76 | Confident | 80.5 | Confident | 77 Ų | 77 | 56.4 Ų | 56.4 | 50% | 0.5 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -67.3 | 170.1 | 167.7 | 32.8 | -36.9 | 0 | 0 | 0 | 110.9 | P611 | P611-P631 HydrophobicContact CB-CG 4.21Š|
| 632 | C | 79.6 | Confident | 80.5 | Confident | 7 Ų | 7 | 55.6 Ų | 55.6 | 5% | 0.047 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 151.6 | 178.9 | 84.1 | 0 | 0 | 0 | 0 | 113.4 | Y614 C622 P623 H634 G637 | Y614-C632 VanDerWaalsContact CD1-SG 3.52Å; C622-C632 WeakPolarHBondContact CA-SG 3.3Å; C622-C632 HydrophobicContact CB-CB 3.69Å; C622-C632 WeakPolarHBondContact CB-SG 3.44Å; C622-C632 WeakPolarHBondContact SG-CB 3.48Å; C622-C632 PolarHBondContact SG-N 2.97Å; C622-C632 VanDerWaalsContact SG-N 3.42Å; C622-C632 CovalentContact SG-SG 2.03Å; C622-C632 PolarHBondContact SG-SG 3.36Å; P623-C632 HydrophobicContact CG-CB 4.5Å; C632-H634 PolarHBondContact O-N 2.84Å; C632-G637 WeakPolarHBondContact CB-O 3.17Å |
| 633 | H | 83.2 | Confident | 80.5 | Confident | 93 Ų | 93 | 57 Ų | 57 | 43% | 0.431 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 120.4 | -179.5 | -179.1 | -106.8 | 0 | 0 | 0 | 111.5 | V635 S636 G637 I638 | H633-V635 PolarHBondContact O-N 3.48Å; H633-S636 PolarHBondContact ND1-OG 3.23Å; H633-S636 PolarHBondContact O-N 3.39Å; H633-G637 PolarHBondContact O-N 3.37Å; H633-I638 WeakPolarHBondContact CB-O 3.43Å; H633-I638 PolarHBondContact N-O 2.81Å |
| 634 | H | 80.1 | Confident | 80.6 | Confident | 44 Ų | 44 | 54.8 Ų | 54.8 | 20% | 0.204 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -28 | -166.8 | 64.1 | 102.6 | 0 | 0 | 0 | 115.1 | G599 F600 I608 C609 Y614 G615 C632 | G599-H634 WeakPolarHBondContact CA-O 3.1Å; G599-H634 PolarHBondContact O-ND1 2.99Å; F600-H634 AromaticContact CE1-CE1 3.94Å; F600-H634 AromaticContact CZ-CE1 3.71Å; I608-H634 VanDerWaalsContact CG2-CE1 3.42Å; I608-H634 WeakPolarHBondContact CG2-CE1 3.19Å; C609-H634 HydrophobicContact CB-CB 4.13Å; Y614-H634 WeakPolarHBondContact CA-O 3.37Å; Y614-H634 WeakPolarHBondContact CB-O 3.23Å; G615-H634 PolarHBondContact N-O 3.37Å; G615-H634 VanDerWaalsContact N-O 3.14Å; C632-H634 PolarHBondContact O-N 2.84Å |
| 635 | V | 83.1 | Confident | 80.9 | Confident | 56 Ų | 56 | 49.5 Ų | 49.5 | 34% | 0.339 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -44.9 | 176.1 | -177.9 | 0 | 0 | 0 | 0 | 112 | P598 F600 H633 | P598-V635 HydrophobicContact CB-CG1 4.42Å; P598-V635 WeakPolarHBondContact O-CG1 3.35Å; F600-V635 HydrophobicContact CE2-CG2 4.08Å; H633-V635 PolarHBondContact O-N 3.48Å |
| 636 | S | 81.3 | Confident | 80.9 | Confident | 55 Ų | 55 | 49.2 Ų | 49.2 | 39% | 0.385 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | -11.6 | -158.7 | 56.8 | 0 | 0 | 0 | 0 | 115.6 | H633 I638 | H633-S636 PolarHBondContact ND1-OG 3.23Å; H633-S636 PolarHBondContact O-N 3.39Å; S636-I638 PolarHBondContact O-N 2.72Å |
| 637 | G | 77.9 | Confident | 80.8 | Confident | 9 Ų | 9 | 46.5 Ų | 46.5 | 9% | 0.093 | 28% | 0.277 | C | S | . | . | trans | 77.1 | 1.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y614 P623 C632 H633 | Y614-G637 VanDerWaalsContact CD2-N 3.33Å; Y614-G637 VanDerWaalsContact CG-CA 3.44Å; P623-G637 WeakPolarHBondContact CG-O 3.46Å; C632-G637 WeakPolarHBondContact CB-O 3.17Å; H633-G637 PolarHBondContact O-N 3.37Å | ||
| 638 | I | 82.8 | Confident | 80.6 | Confident | 107 Ų | 107 | 47.6 Ų | 47.6 | 55% | 0.549 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -82.4 | 136.9 | -176.1 | -58.7 | 173.5 | 0 | 0 | 0 | 110 | H633 S636 | H633-I638 WeakPolarHBondContact CB-O 3.43Å; H633-I638 PolarHBondContact N-O 2.81Å; S636-I638 PolarHBondContact O-N 2.72Å |
| 639 | C | 83.3 | Confident | 80.8 | Confident | 6 Ų | 6 | 49.6 Ų | 49.6 | 4% | 0.041 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 133.2 | 172.5 | -59 | 0 | 0 | 0 | 0 | 111.1 | C625 A648 C650 | C625-C639 WeakPolarHBondContact CA-SG 3.49Å; C625-C639 HydrophobicContact CB-CB 3.62Å; C625-C639 WeakPolarHBondContact CB-SG 3.01Å; C625-C639 VanDerWaalsContact SG-CA 3.58Å; C625-C639 WeakPolarHBondContact SG-CB 3.39Å; C625-C639 CovalentContact SG-SG 2.03Å; C625-C639 PolarHBondContact SG-SG 2.75Å; C639-A648 PolarHBondContact SG-O 2.8Å; C639-C650 WeakPolarHBondContact CB-SG 3.23Å |
| 640 | E | 83 | Confident | 81.2 | Confident | 103 Ų | 103 | 45.9 Ų | 45.9 | 48% | 0.481 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -86.7 | 116.6 | 170.6 | -174.6 | -171.2 | -163.5 | 0 | 0 | 109.3 | S628 S629 Q661 | S628-E640 VanDerWaalsContact CA-O 3.24Å; S628-E640 WeakPolarHBondContact CA-O 3.29Å; S628-E640 VanDerWaalsContact CB-O 3.24Å; S628-E640 WeakPolarHBondContact CB-O 3.17Å; S628-E640 PolarHBondContact OG-O 3.4Å; S629-E640 PolarHBondContact N-O 3.05Å; S629-E640 PolarHBondContact OG-OE2 2.99Å; E640-Q661 PolarHBondContact OE1-NE2 3.23Å |
| 641 | C | 84.6 | Confident | 81.7 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.02 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -85 | 138.7 | -170.3 | -57.9 | 0 | 0 | 0 | 0 | 113.4 | F645 G647 C650 | C641-F645 HydrophobicContact CB-CB 4.42Å; C641-F645 WeakPolarHBondContact CB-O 3.02Å; C641-G647 PolarHBondContact SG-O 3.5Å; C641-C650 WeakPolarHBondContact CA-SG 3.15Å; C641-C650 HydrophobicContact CB-CB 3.7Å; C641-C650 WeakPolarHBondContact CB-SG 3.27Å; C641-C650 PolarHBondContact N-SG 2.92Å; C641-C650 VanDerWaalsContact N-SG 3.45Å; C641-C650 WeakPolarHBondContact SG-CA 3.45Å; C641-C650 WeakPolarHBondContact SG-CB 3.43Å; C641-C650 CovalentContact SG-SG 2.04Å; C641-C650 PolarHBondContact SG-SG 3.45Å |
| 642 | L | 83.6 | Confident | 82.1 | Confident | 71 Ų | 71 | 50.5 Ų | 50.5 | 37% | 0.372 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 148.1 | 171.8 | -68 | 171.9 | 0 | 0 | 0 | 110.4 | H627 G644 F645 | H627-L642 HydrophobicContact CB-CD1 4.44Å; H627-L642 PolarHBondContact O-N 3.01Å; L642-G644 PolarHBondContact O-N 3.34Å; L642-F645 HydrophobicContact CB-CD2 4.25Å; L642-F645 WeakPolarHBondContact O-CB 3.34Å; L642-F645 PolarHBondContact O-N 3.5Å |
| 643 | P | 83.4 | Confident | 82.2 | Confident | 55 Ų | 55 | 54.5 Ų | 54.5 | 36% | 0.357 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 132.7 | 178 | -27.4 | 35.2 | 0 | 0 | 0 | 112.7 | I678 | P643-I678 HydrophobicContact CB-CG2 4.12Š|
| 644 | G | 81.6 | Confident | 82.3 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.5 | -6.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | L642 V653 C654 G660 P677 | L642-G644 PolarHBondContact O-N 3.34Å; G644-V653 WeakPolarHBondContact O-CA 3Å; G644-C654 VanDerWaalsContact CA-SG 3.55Å; G644-C654 PolarHBondContact O-N 3.27Å; G644-C654 PolarHBondContact O-SG 2.98Å; G644-G660 PolarHBondContact N-O 3.32Å; G644-P677 WeakPolarHBondContact CA-O 3.36Å; G644-P677 PolarHBondContact N-O 3.47Å |
| 645 | F | 84.9 | Confident | 82.3 | Confident | 44 Ų | 44 | 52 Ų | 52 | 19% | 0.193 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 155.8 | 177.6 | -59.2 | -89.6 | 0 | 0 | 0 | 112.7 | H627 C641 L642 Q652 V653 | H627-F645 HydrophobicContact CB-CB 4.16Å; H627-F645 HydrophobicContact CB-CD1 3.83Å; H627-F645 HydrophobicContact CB-CD2 3.71Å; H627-F645 HydrophobicContact CB-CE1 4.1Å; H627-F645 HydrophobicContact CB-CE2 4Å; H627-F645 HydrophobicContact CB-CG 3.62Å; H627-F645 HydrophobicContact CB-CZ 4.18Å; H627-F645 AromaticContact CD2-CE1 3.73Å; H627-F645 AromaticContact CD2-CZ 3.69Å; H627-F645 AromaticContact CE1-CE1 3.62Å; H627-F645 AromaticContact CG-CD1 3.62Å; H627-F645 AromaticContact CG-CE1 3.51Å; H627-F645 AromaticContact CG-CG 3.96Å; H627-F645 AromaticContact CG-CZ 3.76Å; H627-F645 AromaticContact ND1-CD1 3.45Å; H627-F645 WeakPolarHBondContact ND1-CD1 3.41Å; H627-F645 AromaticContact ND1-CE1 3.44Å; H627-F645 WeakPolarHBondContact ND1-CE1 3.49Å; H627-F645 AromaticContact NE2-CE1 3.81Å; C641-F645 HydrophobicContact CB-CB 4.42Å; C641-F645 WeakPolarHBondContact CB-O 3.02Å; L642-F645 HydrophobicContact CB-CD2 4.25Å; L642-F645 WeakPolarHBondContact O-CB 3.34Å; L642-F645 PolarHBondContact O-N 3.5Å; F645-Q652 CarbonylContact C-O 3.3Å; F645-Q652 WeakPolarHBondContact CA-O 3.46Å; F645-V653 HydrophobicContact CD1-CG2 4.08Å; F645-V653 HydrophobicContact CE1-CG2 3.8Å |
| 646 | S | 83.3 | Confident | 82 | Confident | 22 Ų | 22 | 53.4 Ų | 53.4 | 15% | 0.154 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | -176.1 | 178.6 | 63.8 | 0 | 0 | 0 | 0 | 112.5 | C650 N651 Q652 C663 | S646-C650 WeakPolarHBondContact O-CA 3Å; S646-N651 PolarHBondContact O-N 2.81Å; S646-Q652 PolarHBondContact N-O 2.89Å; S646-Q652 WeakPolarHBondContact O-CB 3.49Å; S646-Q652 PolarHBondContact O-N 2.04Å; S646-Q652 VanDerWaalsContact O-N 3.16Å; S646-C663 PolarHBondContact OG-SG 3.26Å |
| 647 | G | 79.2 | Confident | 81.7 | Confident | 30 Ų | 30 | 52.1 Ų | 52.1 | 31% | 0.309 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 157.7 | -175 | 0 | 0 | 0 | 0 | 0 | 112.4 | C641 L649 C650 | C641-G647 PolarHBondContact SG-O 3.5Å; G647-L649 PolarHBondContact O-N 2.91Å; G647-C650 PolarHBondContact O-N 3.21Å |
| 648 | A | 76.1 | Confident | 82 | Confident | 80 Ų | 80 | 55.4 Ų | 55.4 | 66% | 0.661 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -12.5 | -167.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | C639 | C639-A648 PolarHBondContact SG-O 2.8Š|
| 649 | L | 82.3 | Confident | 82.3 | Confident | 66 Ų | 66 | 51.9 Ų | 51.9 | 35% | 0.346 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | 6.2 | 176.3 | -57.9 | 179.5 | 0 | 0 | 0 | 113.1 | P623 V626 G647 N651 | P623-L649 HydrophobicContact CB-CD2 3.65Å; P623-L649 HydrophobicContact CG-CD2 4.18Å; V626-L649 PolarHBondContact N-O 3.25Å; G647-L649 PolarHBondContact O-N 2.91Å; L649-N651 VanDerWaalsContact C-N 3.28Å; L649-N651 HydrophobicContact CB-CB 4.48Å; L649-N651 PolarHBondContact O-N 3.32Å |
| 650 | C | 83.1 | Confident | 82.1 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 44.7 | -174.7 | -48.5 | 0 | 0 | 0 | 0 | 112.8 | H627 C639 C641 S646 G647 | H627-C650 HydrophobicContact CB-CB 4.46Å; H627-C650 WeakPolarHBondContact CB-O 3.27Å; H627-C650 PolarHBondContact N-O 3.11Å; H627-C650 PolarHBondContact ND1-O 3.44Å; H627-C650 VanDerWaalsContact O-CB 3.27Å; H627-C650 WeakPolarHBondContact O-CB 3.42Å; C639-C650 WeakPolarHBondContact CB-SG 3.23Å; C641-C650 WeakPolarHBondContact CA-SG 3.15Å; C641-C650 HydrophobicContact CB-CB 3.7Å; C641-C650 WeakPolarHBondContact CB-SG 3.27Å; C641-C650 PolarHBondContact N-SG 2.92Å; C641-C650 VanDerWaalsContact N-SG 3.45Å; C641-C650 WeakPolarHBondContact SG-CA 3.45Å; C641-C650 WeakPolarHBondContact SG-CB 3.43Å; C641-C650 CovalentContact SG-SG 2.04Å; C641-C650 PolarHBondContact SG-SG 3.45Å; S646-C650 WeakPolarHBondContact O-CA 3Å; G647-C650 PolarHBondContact O-N 3.21Å |
| 651 | N | 83.1 | Confident | 82.1 | Confident | 93 Ų | 93 | 51 Ų | 51 | 50% | 0.497 | 33% | 0.325 | S | S | . | . | trans | -114.2 | -1.9 | -176.7 | 69.1 | -20.8 | 0 | 0 | 0 | 113.4 | V626 S646 L649 | V626-N651 HydrophobicContact CG2-CB 4.22Å; S646-N651 PolarHBondContact O-N 2.81Å; L649-N651 VanDerWaalsContact C-N 3.28Å; L649-N651 HydrophobicContact CB-CB 4.48Å; L649-N651 PolarHBondContact O-N 3.32Å | ||
| 652 | Q | 84.6 | Confident | 81.7 | Confident | 115 Ų | 115 | 55 Ų | 55 | 54% | 0.537 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 140.2 | 172.3 | -55.8 | -177.8 | -11 | 0 | 0 | 108.7 | F645 S646 | F645-Q652 CarbonylContact C-O 3.3Å; F645-Q652 WeakPolarHBondContact CA-O 3.46Å; S646-Q652 PolarHBondContact N-O 2.89Å; S646-Q652 WeakPolarHBondContact O-CB 3.49Å; S646-Q652 PolarHBondContact O-N 2.04Å; S646-Q652 VanDerWaalsContact O-N 3.16Å |
| 653 | V | 82.2 | Confident | 81.7 | Confident | 92 Ų | 92 | 52.2 Ų | 52.2 | 56% | 0.558 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 149.8 | 168.6 | 179.5 | 0 | 0 | 0 | 0 | 108.1 | G644 F645 A655 P677 | G644-V653 WeakPolarHBondContact O-CA 3Å; F645-V653 HydrophobicContact CD1-CG2 4.08Å; F645-V653 HydrophobicContact CE1-CG2 3.8Å; V653-A655 PolarHBondContact O-N 2.99Å; V653-P677 HydrophobicContact CG1-CB 4.3Å; V653-P677 HydrophobicContact CG1-CG 4.18Å |
| 654 | C | 84.5 | Confident | 81.6 | Confident | 14 Ų | 14 | 53.7 Ų | 53.7 | 10% | 0.095 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -53.2 | 136.9 | 178.7 | -61.2 | 0 | 0 | 0 | 0 | 113.4 | G644 H658 C663 P677 | G644-C654 VanDerWaalsContact CA-SG 3.55Å; G644-C654 PolarHBondContact O-N 3.27Å; G644-C654 PolarHBondContact O-SG 2.98Å; C654-H658 HydrophobicContact CB-CB 4.46Å; C654-H658 VanDerWaalsContact CB-O 3.31Å; C654-H658 WeakPolarHBondContact CB-O 3.34Å; C654-C663 WeakPolarHBondContact CA-SG 3.49Å; C654-C663 HydrophobicContact CB-CB 3.68Å; C654-C663 WeakPolarHBondContact CB-SG 3.41Å; C654-C663 WeakPolarHBondContact SG-CA 3.44Å; C654-C663 WeakPolarHBondContact SG-CB 3.37Å; C654-C663 CovalentContact SG-SG 2.03Å; C654-C663 PolarHBondContact SG-SG 3.17Å; C654-P677 HydrophobicContact CB-CB 3.76Å |
| 655 | A | 80.1 | Confident | 81.7 | Confident | 70 Ų | 70 | 58.7 Ų | 58.7 | 58% | 0.579 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 147.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | V653 G657 H658 | V653-A655 PolarHBondContact O-N 2.99Å; A655-G657 PolarHBondContact O-N 2.84Å; A655-H658 WeakPolarHBondContact O-CB 3.47Å; A655-H658 PolarHBondContact O-N 2.97Å |
| 656 | G | 76.5 | Confident | 81.6 | Confident | 85 Ų | 85 | 62.2 Ų | 62.2 | 88% | 0.876 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 122.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 657 | G | 76.8 | Confident | 81.6 | Confident | 29 Ų | 29 | 62 Ų | 62 | 30% | 0.299 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98 | -1.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | A655 L666 C667 | A655-G657 PolarHBondContact O-N 2.84Å; G657-L666 WeakPolarHBondContact O-CD1 3.47Å; G657-C667 WeakPolarHBondContact O-CB 3.47Å; G657-C667 PolarHBondContact O-N 2.87Å; G657-C667 PolarHBondContact O-SG 3Å; G657-C667 VanDerWaalsContact O-SG 3.41Å |
| 658 | H | 83.9 | Confident | 81.8 | Confident | 77 Ų | 77 | 65.2 Ų | 65.2 | 36% | 0.356 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 150 | 174.6 | -74.3 | -104.7 | 0 | 0 | 0 | 112.4 | C654 A655 C663 Q665 | C654-H658 HydrophobicContact CB-CB 4.46Å; C654-H658 VanDerWaalsContact CB-O 3.31Å; C654-H658 WeakPolarHBondContact CB-O 3.34Å; A655-H658 WeakPolarHBondContact O-CB 3.47Å; A655-H658 PolarHBondContact O-N 2.97Å; H658-C663 HydrophobicContact CB-CB 4.11Å; H658-C663 PolarHBondContact ND1-O 3.4Å; H658-C663 VanDerWaalsContact ND1-O 3.1Å; H658-Q665 CarbonylContact C-O 3.5Å; H658-Q665 VanDerWaalsContact CA-O 3.29Å; H658-Q665 WeakPolarHBondContact CA-O 3.08Å |
| 659 | F | 87.9 | Confident | 82.2 | Confident | 34 Ų | 34 | 63 Ų | 63 | 15% | 0.149 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 172.8 | -178.9 | 77.2 | -86.8 | 0 | 0 | 0 | 114.3 | C663 Q665 C667 S676 P677 | F659-C663 CarbonylContact O-C 3.49Å; F659-C663 WeakPolarHBondContact O-CA 3.3Å; F659-Q665 HydrophobicContact CD1-CB 3.8Å; F659-Q665 WeakPolarHBondContact CD1-O 3.35Å; F659-Q665 HydrophobicContact CD2-CB 4.07Å; F659-Q665 HydrophobicContact CE1-CB 3.51Å; F659-Q665 HydrophobicContact CE2-CB 3.8Å; F659-Q665 HydrophobicContact CE2-CG 4.35Å; F659-Q665 VanDerWaalsContact CE2-OE1 3.23Å; F659-Q665 HydrophobicContact CG-CB 4.09Å; F659-Q665 HydrophobicContact CZ-CB 3.51Å; F659-Q665 HydrophobicContact CZ-CG 4.37Å; F659-Q665 VanDerWaalsContact CZ-OE1 3.27Å; F659-Q665 PolarHBondContact N-O 3.27Å; F659-Q665 WeakPolarHBondContact O-CB 3.4Å; F659-Q665 PolarHBondContact O-N 2.92Å; F659-Q665 VanDerWaalsContact O-N 3.12Å; F659-C667 HydrophobicContact CD1-CB 4.49Å; F659-S676 WeakPolarHBondContact CB-O 3.44Å; F659-P677 CarbonylContact C-O 3.56Å; F659-P677 WeakPolarHBondContact CA-O 3.01Å; F659-P677 WeakPolarHBondContact CB-O 3.37Å |
| 660 | G | 80.6 | Confident | 82 | Confident | 5 Ų | 5 | 61.7 Ų | 61.7 | 5% | 0.052 | 39% | 0.386 | C | S | . | . | S | Bend | trans | 86.7 | -166.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G644 C663 P677 | G644-G660 PolarHBondContact N-O 3.32Å; G660-C663 PolarHBondContact O-N 3.17Å; G660-P677 PolarHBondContact N-O 2.99Å |
| 661 | Q | 81.6 | Confident | 81.7 | Confident | 85 Ų | 85 | 65 Ų | 65 | 40% | 0.397 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -64.9 | 132.4 | 175.2 | -171.3 | 162.2 | -0.3 | 0 | 0 | 110.2 | E640 C663 A664 | E640-Q661 PolarHBondContact OE1-NE2 3.23Å; Q661-C663 PolarHBondContact O-N 3.14Å; Q661-A664 PolarHBondContact O-N 3.22Å |
| 662 | D | 77 | Confident | 81.4 | Confident | 88 Ų | 88 | 67.3 Ų | 67.3 | 47% | 0.471 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | 49.6 | 19.8 | -172.4 | -62.4 | -47.8 | 0 | 0 | 0 | 115.4 | A664 | D662-A664 PolarHBondContact O-N 3.28Š|
| 663 | C | 83.1 | Confident | 80.9 | Confident | 12 Ų | 12 | 62.3 Ų | 62.3 | 8% | 0.081 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | 59.1 | 25 | -179 | -46.4 | 0 | 0 | 0 | 0 | 114.4 | S646 C654 H658 F659 G660 Q661 Q665 | S646-C663 PolarHBondContact OG-SG 3.26Å; C654-C663 WeakPolarHBondContact CA-SG 3.49Å; C654-C663 HydrophobicContact CB-CB 3.68Å; C654-C663 WeakPolarHBondContact CB-SG 3.41Å; C654-C663 WeakPolarHBondContact SG-CA 3.44Å; C654-C663 WeakPolarHBondContact SG-CB 3.37Å; C654-C663 CovalentContact SG-SG 2.03Å; C654-C663 PolarHBondContact SG-SG 3.17Å; H658-C663 HydrophobicContact CB-CB 4.11Å; H658-C663 PolarHBondContact ND1-O 3.4Å; H658-C663 VanDerWaalsContact ND1-O 3.1Å; F659-C663 CarbonylContact O-C 3.49Å; F659-C663 WeakPolarHBondContact O-CA 3.3Å; G660-C663 PolarHBondContact O-N 3.17Å; Q661-C663 PolarHBondContact O-N 3.14Å; C663-Q665 VanDerWaalsContact C-N 3.26Å; C663-Q665 PolarHBondContact O-N 3.4Å |
| 664 | A | 82 | Confident | 81 | Confident | 85 Ų | 85 | 61.6 Ų | 61.6 | 70% | 0.702 | 39% | 0.392 | S | S | * | . | trans | -70.5 | -16.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q661 D662 | Q661-A664 PolarHBondContact O-N 3.22Å; D662-A664 PolarHBondContact O-N 3.28Å | ||
| 665 | Q | 82.2 | Confident | 81 | Confident | 107 Ų | 107 | 62.5 Ų | 62.5 | 50% | 0.5 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 142 | -174.8 | -52.2 | -171 | 31.1 | 0 | 0 | 111.4 | H658 F659 C663 | H658-Q665 CarbonylContact C-O 3.5Å; H658-Q665 VanDerWaalsContact CA-O 3.29Å; H658-Q665 WeakPolarHBondContact CA-O 3.08Å; F659-Q665 HydrophobicContact CD1-CB 3.8Å; F659-Q665 WeakPolarHBondContact CD1-O 3.35Å; F659-Q665 HydrophobicContact CD2-CB 4.07Å; F659-Q665 HydrophobicContact CE1-CB 3.51Å; F659-Q665 HydrophobicContact CE2-CB 3.8Å; F659-Q665 HydrophobicContact CE2-CG 4.35Å; F659-Q665 VanDerWaalsContact CE2-OE1 3.23Å; F659-Q665 HydrophobicContact CG-CB 4.09Å; F659-Q665 HydrophobicContact CZ-CB 3.51Å; F659-Q665 HydrophobicContact CZ-CG 4.37Å; F659-Q665 VanDerWaalsContact CZ-OE1 3.27Å; F659-Q665 PolarHBondContact N-O 3.27Å; F659-Q665 WeakPolarHBondContact O-CB 3.4Å; F659-Q665 PolarHBondContact O-N 2.92Å; F659-Q665 VanDerWaalsContact O-N 3.12Å; C663-Q665 VanDerWaalsContact C-N 3.26Å; C663-Q665 PolarHBondContact O-N 3.4Å |
| 666 | L | 84.1 | Confident | 81.1 | Confident | 117 Ų | 117 | 60.6 Ų | 60.6 | 61% | 0.613 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 125.2 | -177.6 | -169.7 | 77.3 | 0 | 0 | 0 | 111.2 | G657 | G657-L666 WeakPolarHBondContact O-CD1 3.47Å |
| 667 | C | 82.6 | Confident | 81.3 | Confident | 19 Ų | 19 | 58.5 Ų | 58.5 | 13% | 0.128 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 142 | 176.6 | -60.8 | 0 | 0 | 0 | 0 | 112 | G657 F659 C675 | G657-C667 WeakPolarHBondContact O-CB 3.47Å; G657-C667 PolarHBondContact O-N 2.87Å; G657-C667 PolarHBondContact O-SG 3Å; G657-C667 VanDerWaalsContact O-SG 3.41Å; F659-C667 HydrophobicContact CD1-CB 4.49Å; C667-C675 HydrophobicContact CB-CB 3.54Å; C667-C675 WeakPolarHBondContact CB-SG 3.48Å; C667-C675 WeakPolarHBondContact SG-CB 3.05Å; C667-C675 CovalentContact SG-SG 2.02Å; C667-C675 PolarHBondContact SG-SG 3.33Å |
| 668 | S | 83.5 | Confident | 81.6 | Confident | 97 Ų | 97 | 61.8 Ų | 61.8 | 68% | 0.678 | 36% | 0.361 | S | S | * | . | trans | -115.6 | 42.6 | -180 | -63.2 | 0 | 0 | 0 | 0 | 112.5 | D692 | S668-D692 WeakPolarHBondContact O-CB 3.05Š| ||
| 669 | C | 83.8 | Confident | 81.7 | Confident | 34 Ų | 34 | 62.7 Ų | 62.7 | 23% | 0.23 | 37% | 0.368 | C | S | . | . | trans | -86.5 | 117.4 | -177.4 | -49.8 | 0 | 0 | 0 | 0 | 111.5 | G673 C682 | C669-G673 VanDerWaalsContact CB-O 3.25Å; C669-G673 WeakPolarHBondContact CB-O 3.41Å; C669-C682 WeakPolarHBondContact CA-SG 2.96Å; C669-C682 HydrophobicContact CB-CB 3.79Å; C669-C682 WeakPolarHBondContact CB-SG 2.98Å; C669-C682 VanDerWaalsContact SG-CA 3.56Å; C669-C682 WeakPolarHBondContact SG-CB 3.23Å; C669-C682 CovalentContact SG-SG 2.04Å; C669-C682 PolarHBondContact SG-SG 3.02Å | ||
| 670 | A | 79.6 | Confident | 81.2 | Confident | 38 Ų | 38 | 61.7 Ų | 61.7 | 31% | 0.314 | 37% | 0.368 | S | S | . | . | trans | -83.7 | 174.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | N672 G673 D692 | A670-N672 PolarHBondContact O-N 3.06Å; A670-N672 VanDerWaalsContact O-N 3.08Å; A670-G673 PolarHBondContact O-N 2.79Å; A670-D692 VanDerWaalsContact CB-O 3.29Å; A670-D692 WeakPolarHBondContact CB-O 2.98Å; A670-D692 PolarHBondContact N-O 3.41Å | ||
| 671 | N | 76.4 | Confident | 81.3 | Confident | 70 Ų | 70 | 64.2 Ų | 64.2 | 37% | 0.374 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50 | 40.1 | 171 | -59.2 | -44.6 | 0 | 0 | 0 | 114.3 | G673 W688 C693 | N671-G673 PolarHBondContact O-N 2.03Å; N671-W688 HydrophobicContact CB-CD2 3.98Å; N671-W688 HydrophobicContact CB-CE3 4.29Å; N671-W688 HydrophobicContact CB-CG 4.31Å; N671-W688 HydrophobicContact CB-CZ2 4.46Å; N671-W688 WeakPolarHBondContact ND2-CZ3 3.27Å; N671-C693 PolarHBondContact ND2-O 3.09Å |
| 672 | N | 76.8 | Confident | 81.5 | Confident | 140 Ų | 140 | 61.3 Ų | 61.3 | 75% | 0.749 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 12.7 | 179.3 | -141.6 | 41.2 | 0 | 0 | 0 | 115.4 | A670 F685 | A670-N672 PolarHBondContact O-N 3.06Å; A670-N672 VanDerWaalsContact O-N 3.08Å; N672-F685 WeakPolarHBondContact O-CD2 3.03Å; N672-F685 WeakPolarHBondContact O-CE2 3.47Å |
| 673 | G | 74.6 | Confident | 81.8 | Confident | 11 Ų | 11 | 63.9 Ų | 63.9 | 11% | 0.113 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 134.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | C669 A670 N671 Q683 | C669-G673 VanDerWaalsContact CB-O 3.25Å; C669-G673 WeakPolarHBondContact CB-O 3.41Å; A670-G673 PolarHBondContact O-N 2.79Å; N671-G673 PolarHBondContact O-N 2.03Å; G673-Q683 CarbonylContact C-O 3.46Å; G673-Q683 WeakPolarHBondContact CA-O 3.03Å |
| 674 | T | 82.7 | Confident | 81.8 | Confident | 76 Ų | 76 | 64 Ų | 64 | 47% | 0.466 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 125.9 | -178.3 | 43.5 | 0 | 0 | 0 | 0 | 111 | Q683 | T674-Q683 PolarHBondContact N-O 3.46Å; T674-Q683 PolarHBondContact O-N 2.02Å |
| 675 | C | 85.2 | Confident | 81.7 | Confident | 34 Ų | 34 | 64.5 Ų | 64.5 | 23% | 0.23 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 136.5 | 179 | -169.6 | 0 | 0 | 0 | 0 | 112.2 | C667 | C667-C675 HydrophobicContact CB-CB 3.54Å; C667-C675 WeakPolarHBondContact CB-SG 3.48Å; C667-C675 WeakPolarHBondContact SG-CB 3.05Å; C667-C675 CovalentContact SG-SG 2.02Å; C667-C675 PolarHBondContact SG-SG 3.33Å |
| 676 | S | 82.8 | Confident | 81.7 | Confident | 30 Ų | 30 | 61.8 Ų | 61.8 | 21% | 0.21 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -69 | 125.3 | 165.3 | 167.4 | 0 | 0 | 0 | 0 | 110.5 | F659 I678 D679 G680 S681 | F659-S676 WeakPolarHBondContact CB-O 3.44Å; S676-I678 PolarHBondContact O-N 2.7Å; S676-I678 PolarHBondContact OG-N 2.72Å; S676-D679 WeakPolarHBondContact CB-OD1 3.42Å; S676-D679 PolarHBondContact OG-OD1 3.14Å; S676-G680 WeakPolarHBondContact O-CA 3.31Å; S676-G680 PolarHBondContact O-N 3.22Å; S676-S681 WeakPolarHBondContact CB-O 3Å; S676-S681 VanDerWaalsContact CB-OG 3.24Å; S676-S681 WeakPolarHBondContact CB-OG 3.47Å; S676-S681 PolarHBondContact N-O 2.77Å |
| 677 | P | 80.9 | Confident | 81.5 | Confident | 40 Ų | 40 | 56.5 Ų | 56.5 | 26% | 0.26 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -19.6 | 178.8 | 29.5 | -35.1 | 0 | 0 | 0 | 112.7 | G644 V653 C654 F659 G660 | G644-P677 WeakPolarHBondContact CA-O 3.36Å; G644-P677 PolarHBondContact N-O 3.47Å; V653-P677 HydrophobicContact CG1-CB 4.3Å; V653-P677 HydrophobicContact CG1-CG 4.18Å; C654-P677 HydrophobicContact CB-CB 3.76Å; F659-P677 CarbonylContact C-O 3.56Å; F659-P677 WeakPolarHBondContact CA-O 3.01Å; F659-P677 WeakPolarHBondContact CB-O 3.37Å; G660-P677 PolarHBondContact N-O 2.99Å |
| 678 | I | 82.3 | Confident | 81.6 | Confident | 99 Ų | 99 | 59.8 Ų | 59.8 | 51% | 0.508 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -51.1 | -174 | -56.3 | 178.4 | 0 | 0 | 0 | 110.8 | P643 S676 | P643-I678 HydrophobicContact CB-CG2 4.12Å; S676-I678 PolarHBondContact O-N 2.7Å; S676-I678 PolarHBondContact OG-N 2.72Å |
| 679 | D | 85.3 | Confident | 81.6 | Confident | 95 Ų | 95 | 57.8 Ų | 57.8 | 51% | 0.508 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | -1.9 | -167.3 | 72.6 | -27.7 | 0 | 0 | 0 | 114.3 | S676 S681 | S676-D679 WeakPolarHBondContact CB-OD1 3.42Å; S676-D679 PolarHBondContact OG-OD1 3.14Å; D679-S681 VanDerWaalsContact CG-OG 3.31Å; D679-S681 PolarHBondContact O-N 2.9Å; D679-S681 WeakPolarHBondContact OD1-CB 3.37Å; D679-S681 PolarHBondContact OD1-N 3.03Å; D679-S681 PolarHBondContact OD1-OG 3.48Å; D679-S681 WeakPolarHBondContact OD2-CB 3.49Å; D679-S681 PolarHBondContact OD2-OG 2.03Å |
| 680 | G | 78.6 | Confident | 81.2 | Confident | 14 Ų | 14 | 57.5 Ų | 57.5 | 14% | 0.144 | 33% | 0.329 | C | S | . | . | trans | 77.3 | 6.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | S676 | S676-G680 WeakPolarHBondContact O-CA 3.31Å; S676-G680 PolarHBondContact O-N 3.22Å | ||
| 681 | S | 83.1 | Confident | 81.2 | Confident | 58 Ų | 58 | 64.5 Ų | 64.5 | 41% | 0.406 | 35% | 0.352 | S | S | . | . | trans | -65.2 | 133.3 | 178.8 | 58.9 | 0 | 0 | 0 | 0 | 111.6 | S676 D679 | S676-S681 WeakPolarHBondContact CB-O 3Å; S676-S681 VanDerWaalsContact CB-OG 3.24Å; S676-S681 WeakPolarHBondContact CB-OG 3.47Å; S676-S681 PolarHBondContact N-O 2.77Å; D679-S681 VanDerWaalsContact CG-OG 3.31Å; D679-S681 PolarHBondContact O-N 2.9Å; D679-S681 WeakPolarHBondContact OD1-CB 3.37Å; D679-S681 PolarHBondContact OD1-N 3.03Å; D679-S681 PolarHBondContact OD1-OG 3.48Å; D679-S681 WeakPolarHBondContact OD2-CB 3.49Å; D679-S681 PolarHBondContact OD2-OG 2.03Å | ||
| 682 | C | 84.8 | Confident | 81.5 | Confident | 23 Ų | 23 | 63.3 Ų | 63.3 | 16% | 0.155 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 115.7 | -179.8 | -61.4 | 0 | 0 | 0 | 0 | 111 | C669 C684 K691 | C669-C682 WeakPolarHBondContact CA-SG 2.96Å; C669-C682 HydrophobicContact CB-CB 3.79Å; C669-C682 WeakPolarHBondContact CB-SG 2.98Å; C669-C682 VanDerWaalsContact SG-CA 3.56Å; C669-C682 WeakPolarHBondContact SG-CB 3.23Å; C669-C682 CovalentContact SG-SG 2.04Å; C669-C682 PolarHBondContact SG-SG 3.02Å; C682-C684 PolarHBondContact O-N 2.86Å; C682-K691 WeakPolarHBondContact CB-O 3.48Å; C682-K691 PolarHBondContact SG-O 2.03Å |
| 683 | Q | 82.9 | Confident | 81.8 | Confident | 142 Ų | 142 | 56.7 Ų | 56.7 | 66% | 0.664 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 111.4 | 168.9 | -175.3 | 175.9 | 12.7 | 0 | 0 | 109.4 | G673 T674 | G673-Q683 CarbonylContact C-O 3.46Å; G673-Q683 WeakPolarHBondContact CA-O 3.03Å; T674-Q683 PolarHBondContact N-O 3.46Å; T674-Q683 PolarHBondContact O-N 2.02Å |
| 684 | C | 83.6 | Confident | 82.2 | Confident | 15 Ų | 15 | 58.8 Ų | 58.8 | 10% | 0.101 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -80.5 | 141.2 | -174.2 | -52.6 | 0 | 0 | 0 | 0 | 112.9 | C682 W688 C693 | C682-C684 PolarHBondContact O-N 2.86Å; C684-W688 HydrophobicContact CB-CB 4.16Å; C684-W688 WeakPolarHBondContact CB-O 3.04Å; C684-C693 WeakPolarHBondContact CA-SG 3.15Å; C684-C693 HydrophobicContact CB-CB 3.74Å; C684-C693 WeakPolarHBondContact CB-SG 3.49Å; C684-C693 WeakPolarHBondContact SG-CA 3.25Å; C684-C693 WeakPolarHBondContact SG-CB 3.15Å; C684-C693 CovalentContact SG-SG 2.04Å; C684-C693 PolarHBondContact SG-SG 3.43Å |
| 685 | F | 80.4 | Confident | 82.2 | Confident | 95 Ų | 95 | 60.8 Ų | 60.8 | 42% | 0.417 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 156.3 | 168 | -88.4 | -102.5 | 0 | 0 | 0 | 111 | N672 W688 | N672-F685 WeakPolarHBondContact O-CD2 3.03Å; N672-F685 WeakPolarHBondContact O-CE2 3.47Å; F685-W688 PolarHBondContact O-N 2.84Å; F685-W688 VanDerWaalsContact O-N 3.17Å |
| 686 | P | 82.1 | Confident | 82 | Confident | 50 Ų | 50 | 62.3 Ų | 62.3 | 33% | 0.325 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 140.5 | 177.7 | -26.2 | 35.7 | 0 | 0 | 0 | 112.9 | E721 | P686-E721 HydrophobicContact CB-CG 4.09Å; P686-E721 WeakPolarHBondContact CB-O 3.24Å |
| 687 | G | 80.3 | Confident | 82.2 | Confident | 7 Ų | 7 | 61.7 Ų | 61.7 | 7% | 0.072 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | -6.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | A696 C697 G703 A720 | G687-A696 CarbonylContact O-C 3.49Å; G687-A696 WeakPolarHBondContact O-CA 3.27Å; G687-C697 VanDerWaalsContact CA-SG 3.5Å; G687-C697 PolarHBondContact O-N 3.02Å; G687-C697 PolarHBondContact O-SG 2.88Å; G687-C697 VanDerWaalsContact O-SG 3.41Å; G687-G703 PolarHBondContact N-O 3.46Å; G687-G703 VanDerWaalsContact N-O 3.1Å; G687-A720 VanDerWaalsContact CA-O 3.28Å; G687-A720 WeakPolarHBondContact CA-O 3Å; G687-A720 PolarHBondContact N-O 3.39Å |
| 688 | W | 83.9 | Confident | 82.4 | Confident | 88 Ų | 88 | 62.8 Ų | 62.8 | 33% | 0.333 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 149.9 | -177.8 | -56.7 | 91 | 0 | 0 | 0 | 113.6 | N671 C684 F685 Q695 A696 A705 | N671-W688 HydrophobicContact CB-CD2 3.98Å; N671-W688 HydrophobicContact CB-CE3 4.29Å; N671-W688 HydrophobicContact CB-CG 4.31Å; N671-W688 HydrophobicContact CB-CZ2 4.46Å; N671-W688 WeakPolarHBondContact ND2-CZ3 3.27Å; C684-W688 HydrophobicContact CB-CB 4.16Å; C684-W688 WeakPolarHBondContact CB-O 3.04Å; F685-W688 PolarHBondContact O-N 2.84Å; F685-W688 VanDerWaalsContact O-N 3.17Å; W688-Q695 CarbonylContact C-O 3.42Å; W688-Q695 VanDerWaalsContact CA-O 3.32Å; W688-Q695 WeakPolarHBondContact CA-O 3.24Å; W688-A696 HydrophobicContact CE3-CB 4.39Å; W688-A696 HydrophobicContact CZ3-CB 4.23Å; W688-A705 WeakPolarHBondContact O-CA 3.43Å; W688-A705 PolarHBondContact O-N 2.77Å |
| 689 | I | 82.6 | Confident | 82.3 | Confident | 55 Ų | 55 | 64.5 Ų | 64.5 | 28% | 0.282 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 171.5 | -176.7 | -164.5 | 167.1 | 0 | 0 | 0 | 110.7 | C693 Q695 A705 C706 | I689-C693 CarbonylContact O-C 3.25Å; I689-C693 WeakPolarHBondContact O-CA 3.18Å; I689-Q695 HydrophobicContact CG2-CB 4.02Å; I689-Q695 PolarHBondContact N-O 2.95Å; I689-Q695 WeakPolarHBondContact O-CB 3.2Å; I689-Q695 PolarHBondContact O-N 3.37Å; I689-Q695 VanDerWaalsContact O-N 3.16Å; I689-A705 WeakPolarHBondContact CD1-O 3.04Å; I689-C706 HydrophobicContact CD1-CB 4.15Å |
| 690 | G | 77.4 | Confident | 82.1 | Confident | 27 Ų | 27 | 61.3 Ų | 61.3 | 28% | 0.278 | 35% | 0.352 | S | S | . | . | S | Bend | trans | 98.4 | 157.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D692 C693 | G690-D692 PolarHBondContact O-N 2.7Å; G690-C693 PolarHBondContact O-N 2.94Å |
| 691 | K | 77.6 | Confident | 82.5 | Confident | 185 Ų | 185 | 64.8 Ų | 64.8 | 80% | 0.804 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -21 | -177 | 61.4 | 173.5 | -176.2 | 170 | 0 | 114.9 | C682 | C682-K691 WeakPolarHBondContact CB-O 3.48Å; C682-K691 PolarHBondContact SG-O 2.03Å |
| 692 | D | 82.9 | Confident | 82.6 | Confident | 46 Ų | 46 | 65.5 Ų | 65.5 | 25% | 0.246 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121 | 6.9 | -176.9 | 54 | 13 | 0 | 0 | 0 | 111.7 | S668 A670 G690 S694 | S668-D692 WeakPolarHBondContact O-CB 3.05Å; A670-D692 VanDerWaalsContact CB-O 3.29Å; A670-D692 WeakPolarHBondContact CB-O 2.98Å; A670-D692 PolarHBondContact N-O 3.41Å; G690-D692 PolarHBondContact O-N 2.7Å; D692-S694 VanDerWaalsContact CG-OG 3.28Å; D692-S694 PolarHBondContact O-N 2.95Å; D692-S694 VanDerWaalsContact O-N 3.12Å; D692-S694 VanDerWaalsContact OD1-CB 3.22Å; D692-S694 WeakPolarHBondContact OD1-CB 3Å; D692-S694 PolarHBondContact OD1-N 2.82Å; D692-S694 PolarHBondContact OD1-OG 2.04Å; D692-S694 PolarHBondContact OD2-OG 2.77Å |
| 693 | C | 82.9 | Confident | 82.4 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.007 | 35% | 0.35 | C | S | . | . | S | Bend | trans | 56 | 21.2 | -175 | -50.2 | 0 | 0 | 0 | 0 | 115.2 | N671 C684 I689 G690 Q695 | N671-C693 PolarHBondContact ND2-O 3.09Å; C684-C693 WeakPolarHBondContact CA-SG 3.15Å; C684-C693 HydrophobicContact CB-CB 3.74Å; C684-C693 WeakPolarHBondContact CB-SG 3.49Å; C684-C693 WeakPolarHBondContact SG-CA 3.25Å; C684-C693 WeakPolarHBondContact SG-CB 3.15Å; C684-C693 CovalentContact SG-SG 2.04Å; C684-C693 PolarHBondContact SG-SG 3.43Å; I689-C693 CarbonylContact O-C 3.25Å; I689-C693 WeakPolarHBondContact O-CA 3.18Å; G690-C693 PolarHBondContact O-N 2.94Å; C693-Q695 VanDerWaalsContact C-N 3.33Å; C693-Q695 PolarHBondContact O-N 3.33Å |
| 694 | S | 84.3 | Confident | 82.1 | Confident | 54 Ų | 54 | 60.8 Ų | 60.8 | 38% | 0.378 | 34% | 0.339 | S | S | . | . | trans | -74.9 | -17.2 | -177.8 | 62.8 | 0 | 0 | 0 | 0 | 114.5 | D692 | D692-S694 VanDerWaalsContact CG-OG 3.28Å; D692-S694 PolarHBondContact O-N 2.95Å; D692-S694 VanDerWaalsContact O-N 3.12Å; D692-S694 VanDerWaalsContact OD1-CB 3.22Å; D692-S694 WeakPolarHBondContact OD1-CB 3Å; D692-S694 PolarHBondContact OD1-N 2.82Å; D692-S694 PolarHBondContact OD1-OG 2.04Å; D692-S694 PolarHBondContact OD2-OG 2.77Å | ||
| 695 | Q | 83.1 | Confident | 81.7 | Confident | 119 Ų | 119 | 62.8 Ų | 62.8 | 56% | 0.556 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 135.8 | -169.5 | -52.9 | -177.6 | 6 | 0 | 0 | 110.9 | W688 I689 C693 | W688-Q695 CarbonylContact C-O 3.42Å; W688-Q695 VanDerWaalsContact CA-O 3.32Å; W688-Q695 WeakPolarHBondContact CA-O 3.24Å; I689-Q695 HydrophobicContact CG2-CB 4.02Å; I689-Q695 PolarHBondContact N-O 2.95Å; I689-Q695 WeakPolarHBondContact O-CB 3.2Å; I689-Q695 PolarHBondContact O-N 3.37Å; I689-Q695 VanDerWaalsContact O-N 3.16Å; C693-Q695 VanDerWaalsContact C-N 3.33Å; C693-Q695 PolarHBondContact O-N 3.33Å |
| 696 | A | 81.3 | Confident | 81.8 | Confident | 65 Ų | 65 | 58.6 Ų | 58.6 | 54% | 0.537 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 158.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | G687 W688 | G687-A696 CarbonylContact O-C 3.49Å; G687-A696 WeakPolarHBondContact O-CA 3.27Å; W688-A696 HydrophobicContact CE3-CB 4.39Å; W688-A696 HydrophobicContact CZ3-CB 4.23Å |
| 697 | C | 85.3 | Confident | 81.8 | Confident | 18 Ų | 18 | 64.1 Ų | 64.1 | 12% | 0.122 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 141.5 | -178.6 | -68.8 | 0 | 0 | 0 | 0 | 114 | G687 F701 C706 A720 | G687-C697 VanDerWaalsContact CA-SG 3.5Å; G687-C697 PolarHBondContact O-N 3.02Å; G687-C697 PolarHBondContact O-SG 2.88Å; G687-C697 VanDerWaalsContact O-SG 3.41Å; C697-F701 WeakPolarHBondContact CB-O 3.5Å; C697-C706 WeakPolarHBondContact CA-SG 3.01Å; C697-C706 HydrophobicContact CB-CB 3.8Å; C697-C706 WeakPolarHBondContact CB-SG 3.26Å; C697-C706 WeakPolarHBondContact SG-CB 3.36Å; C697-C706 CovalentContact SG-SG 2.02Å; C697-C706 PolarHBondContact SG-SG 3.11Å; C697-A720 HydrophobicContact CB-CB 3.95Å |
| 698 | P | 84.8 | Confident | 81.8 | Confident | 63 Ų | 63 | 67.7 Ų | 67.7 | 41% | 0.409 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 147.2 | 169.4 | -23 | 33.9 | 0 | 0 | 0 | 112 | G700 F701 | P698-G700 PolarHBondContact O-N 3.45Å; P698-F701 HydrophobicContact CB-CD2 4.23Å; P698-F701 PolarHBondContact O-N 2.04Å; P698-F701 VanDerWaalsContact O-N 3.08Å |
| 699 | P | 81.6 | Confident | 81.8 | Confident | 134 Ų | 134 | 67.8 Ų | 67.8 | 87% | 0.87 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 127 | 177.8 | -26 | 34.7 | 0 | 0 | 0 | 112.4 | ||
| 700 | G | 80.3 | Confident | 82 | Confident | 28 Ų | 28 | 66.2 Ų | 66.2 | 29% | 0.289 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.8 | 6.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | P698 C710 | P698-G700 PolarHBondContact O-N 3.45Å; G700-C710 PolarHBondContact O-N 3.05Å; G700-C710 PolarHBondContact O-SG 3.08Å |
| 701 | F | 86.6 | Confident | 82.3 | Confident | 87 Ų | 87 | 68.4 Ų | 68.4 | 38% | 0.382 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 149.3 | 174 | -64.5 | -93.7 | 0 | 0 | 0 | 111.7 | C697 P698 C706 H708 T709 | C697-F701 WeakPolarHBondContact CB-O 3.5Å; P698-F701 HydrophobicContact CB-CD2 4.23Å; P698-F701 PolarHBondContact O-N 2.04Å; P698-F701 VanDerWaalsContact O-N 3.08Å; F701-C706 HydrophobicContact CB-CB 4.01Å; F701-H708 CarbonylContact C-O 3.55Å; F701-H708 VanDerWaalsContact CA-O 3.31Å; F701-H708 WeakPolarHBondContact CA-O 3.47Å; F701-T709 HydrophobicContact CE1-CG2 4.36Å |
| 702 | W | 87.1 | Confident | 82.7 | Confident | 73 Ų | 73 | 60.8 Ų | 60.8 | 28% | 0.277 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 170.1 | -174.6 | 72.2 | -82.2 | 0 | 0 | 0 | 113.5 | C706 F707 H708 T709 C710 S719 A720 D722 G723 | W702-C706 CarbonylContact O-C 3.49Å; W702-C706 VanDerWaalsContact O-C 3.31Å; W702-C706 WeakPolarHBondContact O-CA 3.03Å; W702-F707 PolarHBondContact O-N 3.48Å; W702-H708 HydrophobicContact CD2-CB 3.88Å; W702-H708 VanDerWaalsContact CE2-CB 3.45Å; W702-H708 HydrophobicContact CG-CB 4.09Å; W702-H708 HydrophobicContact CZ2-CB 3.93Å; W702-H708 PolarHBondContact N-O 2.63Å; W702-H708 VanDerWaalsContact NE1-CB 3.33Å; W702-H708 PolarHBondContact O-N 3.19Å; W702-H708 VanDerWaalsContact O-N 3.11Å; W702-T709 PolarHBondContact NE1-O 2.86Å; W702-C710 VanDerWaalsContact CD1-SG 3.53Å; W702-S719 WeakPolarHBondContact CB-O 3.48Å; W702-A720 CarbonylContact C-O 3.55Å; W702-A720 WeakPolarHBondContact CA-O 3.46Å; W702-A720 WeakPolarHBondContact CB-O 3.03Å; W702-D722 VanDerWaalsContact CZ3-C 3.48Å; W702-D722 WeakPolarHBondContact CZ3-O 3.03Å; W702-G723 VanDerWaalsContact CE3-N 3.31Å |
| 703 | G | 80.3 | Confident | 82.7 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | S | Bend | trans | 86.5 | -171.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | G687 A705 C706 A720 | G687-G703 PolarHBondContact N-O 3.46Å; G687-G703 VanDerWaalsContact N-O 3.1Å; G703-A705 PolarHBondContact O-N 2.86Å; G703-C706 PolarHBondContact O-N 3.05Å; G703-C706 VanDerWaalsContact O-N 3.08Å; G703-A720 PolarHBondContact N-O 3.46Å |
| 704 | P | 75.8 | Confident | 82.6 | Confident | 66 Ų | 66 | 66.8 Ų | 66.8 | 43% | 0.429 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -63.6 | 129.6 | 179.6 | 27.3 | -34.1 | 0 | 0 | 0 | 110.5 | C706 F707 | P704-C706 PolarHBondContact O-N 3.03Å; P704-F707 PolarHBondContact O-N 3.45Å |
| 705 | A | 74.9 | Confident | 82.2 | Confident | 56 Ų | 56 | 67.6 Ų | 67.6 | 46% | 0.463 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | 50.5 | 23.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | W688 I689 G703 F707 | W688-A705 WeakPolarHBondContact O-CA 3.43Å; W688-A705 PolarHBondContact O-N 2.77Å; I689-A705 WeakPolarHBondContact CD1-O 3.04Å; G703-A705 PolarHBondContact O-N 2.86Å; A705-F707 PolarHBondContact O-N 2.97Å |
| 706 | C | 82.1 | Confident | 82.2 | Confident | 8 Ų | 8 | 62.6 Ų | 62.6 | 5% | 0.054 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | 56.9 | 28.7 | 178.3 | -41.9 | 0 | 0 | 0 | 0 | 114.9 | I689 C697 F701 W702 G703 P704 H708 | I689-C706 HydrophobicContact CD1-CB 4.15Å; C697-C706 WeakPolarHBondContact CA-SG 3.01Å; C697-C706 HydrophobicContact CB-CB 3.8Å; C697-C706 WeakPolarHBondContact CB-SG 3.26Å; C697-C706 WeakPolarHBondContact SG-CB 3.36Å; C697-C706 CovalentContact SG-SG 2.02Å; C697-C706 PolarHBondContact SG-SG 3.11Å; F701-C706 HydrophobicContact CB-CB 4.01Å; W702-C706 CarbonylContact O-C 3.49Å; W702-C706 VanDerWaalsContact O-C 3.31Å; W702-C706 WeakPolarHBondContact O-CA 3.03Å; G703-C706 PolarHBondContact O-N 3.05Å; G703-C706 VanDerWaalsContact O-N 3.08Å; P704-C706 PolarHBondContact O-N 3.03Å; C706-H708 VanDerWaalsContact C-N 3.26Å; C706-H708 PolarHBondContact O-N 2.82Å |
| 707 | F | 82.5 | Confident | 82.3 | Confident | 166 Ų | 166 | 63.1 Ų | 63.1 | 73% | 0.728 | 38% | 0.382 | S | S | * | . | trans | -65 | -25.2 | -173.5 | -176.1 | -101.1 | 0 | 0 | 0 | 114.1 | W702 P704 A705 | W702-F707 PolarHBondContact O-N 3.48Å; P704-F707 PolarHBondContact O-N 3.45Å; A705-F707 PolarHBondContact O-N 2.97Å | ||
| 708 | H | 79.9 | Confident | 82.4 | Confident | 82 Ų | 82 | 63.6 Ų | 63.6 | 38% | 0.38 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 128.1 | -175.2 | -59.8 | -66.3 | 0 | 0 | 0 | 111.8 | F701 W702 C706 | F701-H708 CarbonylContact C-O 3.55Å; F701-H708 VanDerWaalsContact CA-O 3.31Å; F701-H708 WeakPolarHBondContact CA-O 3.47Å; W702-H708 HydrophobicContact CD2-CB 3.88Å; W702-H708 VanDerWaalsContact CE2-CB 3.45Å; W702-H708 HydrophobicContact CG-CB 4.09Å; W702-H708 HydrophobicContact CZ2-CB 3.93Å; W702-H708 PolarHBondContact N-O 2.63Å; W702-H708 VanDerWaalsContact NE1-CB 3.33Å; W702-H708 PolarHBondContact O-N 3.19Å; W702-H708 VanDerWaalsContact O-N 3.11Å; C706-H708 VanDerWaalsContact C-N 3.26Å; C706-H708 PolarHBondContact O-N 2.82Å |
| 709 | T | 85.8 | Confident | 82.4 | Confident | 90 Ų | 90 | 62 Ų | 62 | 55% | 0.552 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76 | 143.5 | 170 | -44.3 | 0 | 0 | 0 | 0 | 110.7 | F701 W702 | F701-T709 HydrophobicContact CE1-CG2 4.36Å; W702-T709 PolarHBondContact NE1-O 2.86Å |
| 710 | C | 85.2 | Confident | 82.4 | Confident | 22 Ų | 22 | 57.3 Ų | 57.3 | 15% | 0.149 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -80.4 | 120.4 | 179.5 | -60.8 | 0 | 0 | 0 | 0 | 112.6 | G700 W702 C712 C718 | G700-C710 PolarHBondContact O-N 3.05Å; G700-C710 PolarHBondContact O-SG 3.08Å; W702-C710 VanDerWaalsContact CD1-SG 3.53Å; C710-C712 VanDerWaalsContact C-N 3.26Å; C710-C712 PolarHBondContact O-N 2.84Å; C710-C718 HydrophobicContact CB-CB 3.52Å; C710-C718 WeakPolarHBondContact CB-SG 2.93Å; C710-C718 WeakPolarHBondContact SG-CB 3.36Å; C710-C718 CovalentContact SG-SG 2.02Å; C710-C718 PolarHBondContact SG-SG 3.36Å |
| 711 | S | 84.1 | Confident | 82.4 | Confident | 72 Ų | 72 | 62.3 Ų | 62.3 | 50% | 0.503 | 36% | 0.364 | S | S | . | . | trans | -88.3 | 41.2 | 178.6 | -56.9 | 0 | 0 | 0 | 0 | 113.3 | H713 F735 | S711-H713 PolarHBondContact O-CD2 2.82Å; S711-F735 WeakPolarHBondContact O-CD1 3.39Å | ||
| 712 | C | 86.4 | Confident | 82.3 | Confident | 25 Ų | 25 | 62.7 Ų | 62.7 | 17% | 0.169 | 37% | 0.37 | C | S | . | . | trans | -90.4 | 126.3 | -177.6 | -54.3 | 0 | 0 | 0 | 0 | 111.1 | C710 A716 C725 | C710-C712 VanDerWaalsContact C-N 3.26Å; C710-C712 PolarHBondContact O-N 2.84Å; C712-A716 HydrophobicContact CB-CB 4.01Å; C712-A716 WeakPolarHBondContact CB-O 3.16Å; C712-C725 WeakPolarHBondContact CA-SG 3.45Å; C712-C725 HydrophobicContact CB-CB 3.83Å; C712-C725 WeakPolarHBondContact CB-SG 3.48Å; C712-C725 VanDerWaalsContact SG-CA 3.53Å; C712-C725 WeakPolarHBondContact SG-CB 3.16Å; C712-C725 CovalentContact SG-SG 2.04Å; C712-C725 PolarHBondContact SG-SG 3.36Å | ||
| 713 | H | 82.1 | Confident | 82 | Confident | 99 Ų | 99 | 59.8 Ų | 59.8 | 46% | 0.458 | 36% | 0.362 | S | S | . | . | trans | -104.3 | 174.8 | -177.2 | -65.5 | -81.9 | 0 | 0 | 0 | 112.9 | S711 G715 A716 F735 T737 | S711-H713 PolarHBondContact O-CD2 2.82Å; H713-G715 VanDerWaalsContact C-N 3.25Å; H713-G715 PolarHBondContact O-N 2.92Å; H713-A716 VanDerWaalsContact O-CB 3.24Å; H713-A716 WeakPolarHBondContact O-CB 3.46Å; H713-A716 PolarHBondContact O-N 3.49Å; H713-A716 VanDerWaalsContact O-N 3.12Å; H713-F735 PolarHBondContact N-O 3.36Å; H713-T737 HydrophobicContact CB-CG2 3.82Å; H713-T737 VanDerWaalsContact CD2-CG2 3.5Å; H713-T737 WeakPolarHBondContact CD2-CG2 3.43Å | ||
| 714 | N | 80.6 | Confident | 82.2 | Confident | 74 Ų | 74 | 61.6 Ų | 61.6 | 40% | 0.396 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 31.6 | 176.4 | -59.8 | -52.3 | 0 | 0 | 0 | 115.2 | A716 T728 W731 C736 | N714-A716 VanDerWaalsContact C-N 3.32Å; N714-T728 WeakPolarHBondContact O-CG2 3.41Å; N714-T728 PolarHBondContact O-OG1 3.45Å; N714-W731 HydrophobicContact CB-CD2 4.01Å; N714-W731 HydrophobicContact CB-CG 4.05Å; N714-W731 WeakPolarHBondContact ND2-CZ3 2.98Å; N714-C736 PolarHBondContact ND2-O 3Å |
| 715 | G | 76.7 | Confident | 82.7 | Confident | 71 Ų | 71 | 59.6 Ų | 59.6 | 73% | 0.732 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 12.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | H713 T728 | H713-G715 VanDerWaalsContact C-N 3.25Å; H713-G715 PolarHBondContact O-N 2.92Å; G715-T728 WeakPolarHBondContact O-CG2 3.39Å |
| 716 | A | 82.4 | Confident | 83.2 | Confident | 14 Ų | 14 | 62 Ų | 62 | 12% | 0.116 | 37% | 0.366 | C | S | . | . | trans | -70.5 | 146.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | C712 H713 N714 H726 C736 | C712-A716 HydrophobicContact CB-CB 4.01Å; C712-A716 WeakPolarHBondContact CB-O 3.16Å; H713-A716 VanDerWaalsContact O-CB 3.24Å; H713-A716 WeakPolarHBondContact O-CB 3.46Å; H713-A716 PolarHBondContact O-N 3.49Å; H713-A716 VanDerWaalsContact O-N 3.12Å; N714-A716 VanDerWaalsContact C-N 3.32Å; A716-H726 WeakPolarHBondContact CA-O 3.31Å; A716-H726 VanDerWaalsContact CB-O 3.29Å; A716-H726 WeakPolarHBondContact CB-O 3.32Å; A716-C736 HydrophobicContact CB-CB 3.74Å; A716-C736 WeakPolarHBondContact CB-SG 3.29Å | ||
| 717 | S | 83.9 | Confident | 83.5 | Confident | 77 Ų | 77 | 62.3 Ų | 62.3 | 54% | 0.538 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 146.6 | 175.1 | 56.1 | 0 | 0 | 0 | 0 | 111.2 | H726 | S717-H726 PolarHBondContact N-O 2.04Å; S717-H726 WeakPolarHBondContact O-CB 3.2Å; S717-H726 PolarHBondContact O-N 2.94Å |
| 718 | C | 86.9 | Confident | 83.6 | Confident | 27 Ų | 27 | 56.2 Ų | 56.2 | 18% | 0.182 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 156.2 | 174 | 50.9 | 0 | 0 | 0 | 0 | 113.4 | C710 A724 | C710-C718 HydrophobicContact CB-CB 3.52Å; C710-C718 WeakPolarHBondContact CB-SG 2.93Å; C710-C718 WeakPolarHBondContact SG-CB 3.36Å; C710-C718 CovalentContact SG-SG 2.02Å; C710-C718 PolarHBondContact SG-SG 3.36Å; C718-A724 CarbonylContact C-O 3.55Å; C718-A724 WeakPolarHBondContact CA-O 3.34Å |
| 719 | S | 85.7 | Confident | 83.9 | Confident | 29 Ų | 29 | 55.3 Ų | 55.3 | 20% | 0.203 | 35% | 0.346 | C | S | . | . | trans | -67.4 | 142.8 | 153.6 | 163.8 | 0 | 0 | 0 | 0 | 110.8 | W702 E721 D722 G723 A724 | W702-S719 WeakPolarHBondContact CB-O 3.48Å; S719-E721 PolarHBondContact OG-N 3.16Å; S719-D722 WeakPolarHBondContact CB-OD1 3.43Å; S719-D722 PolarHBondContact OG-OD1 2.79Å; S719-G723 VanDerWaalsContact O-CA 3.26Å; S719-G723 WeakPolarHBondContact O-CA 3.39Å; S719-G723 PolarHBondContact O-N 3.28Å; S719-A724 PolarHBondContact N-O 3.19Å | ||
| 720 | A | 81.4 | Confident | 83.7 | Confident | 36 Ų | 36 | 51 Ų | 51 | 30% | 0.298 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -22.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | G687 C697 W702 G703 | G687-A720 VanDerWaalsContact CA-O 3.28Å; G687-A720 WeakPolarHBondContact CA-O 3Å; G687-A720 PolarHBondContact N-O 3.39Å; C697-A720 HydrophobicContact CB-CB 3.95Å; W702-A720 CarbonylContact C-O 3.55Å; W702-A720 WeakPolarHBondContact CA-O 3.46Å; W702-A720 WeakPolarHBondContact CB-O 3.03Å; G703-A720 PolarHBondContact N-O 3.46Å |
| 721 | E | 80.6 | Confident | 83.8 | Confident | 134 Ų | 134 | 52.2 Ų | 52.2 | 63% | 0.626 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -52.9 | -174.6 | -170.2 | 178.4 | 171.1 | 0 | 0 | 111.3 | P686 S719 | P686-E721 HydrophobicContact CB-CG 4.09Å; P686-E721 WeakPolarHBondContact CB-O 3.24Å; S719-E721 PolarHBondContact OG-N 3.16Å |
| 722 | D | 83.8 | Confident | 83.8 | Confident | 95 Ų | 95 | 51 Ų | 51 | 51% | 0.508 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | 1 | -169.4 | 69.9 | -25.7 | 0 | 0 | 0 | 114 | W702 S719 A724 | W702-D722 VanDerWaalsContact CZ3-C 3.48Å; W702-D722 WeakPolarHBondContact CZ3-O 3.03Å; S719-D722 WeakPolarHBondContact CB-OD1 3.43Å; S719-D722 PolarHBondContact OG-OD1 2.79Å; D722-A724 PolarHBondContact O-N 3.46Å; D722-A724 PolarHBondContact OD1-N 2.03Å; D722-A724 WeakPolarHBondContact OD2-CB 3.43Å |
| 723 | G | 81.4 | Confident | 83.5 | Confident | 11 Ų | 11 | 50.9 Ų | 50.9 | 11% | 0.113 | 31% | 0.314 | C | S | . | . | trans | 74.3 | 1.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | W702 S719 C725 | W702-G723 VanDerWaalsContact CE3-N 3.31Å; S719-G723 VanDerWaalsContact O-CA 3.26Å; S719-G723 WeakPolarHBondContact O-CA 3.39Å; S719-G723 PolarHBondContact O-N 3.28Å; G723-C725 PolarHBondContact O-N 2.7Å | ||
| 724 | A | 84.6 | Confident | 83.4 | Confident | 40 Ų | 40 | 52.7 Ų | 52.7 | 33% | 0.331 | 33% | 0.326 | S | S | . | . | trans | -59.7 | 127.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | C718 S719 D722 | C718-A724 CarbonylContact C-O 3.55Å; C718-A724 WeakPolarHBondContact CA-O 3.34Å; S719-A724 PolarHBondContact N-O 3.19Å; D722-A724 PolarHBondContact O-N 3.46Å; D722-A724 PolarHBondContact OD1-N 2.03Å; D722-A724 WeakPolarHBondContact OD2-CB 3.43Å | ||
| 725 | C | 86.6 | Confident | 83.6 | Confident | 23 Ų | 23 | 53.8 Ų | 53.8 | 16% | 0.155 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 121.1 | -175.7 | -62 | 0 | 0 | 0 | 0 | 112.8 | C712 G723 C727 L734 C736 | C712-C725 WeakPolarHBondContact CA-SG 3.45Å; C712-C725 HydrophobicContact CB-CB 3.83Å; C712-C725 WeakPolarHBondContact CB-SG 3.48Å; C712-C725 VanDerWaalsContact SG-CA 3.53Å; C712-C725 WeakPolarHBondContact SG-CB 3.16Å; C712-C725 CovalentContact SG-SG 2.04Å; C712-C725 PolarHBondContact SG-SG 3.36Å; G723-C725 PolarHBondContact O-N 2.7Å; C725-C727 PolarHBondContact O-N 2.73Å; C725-L734 WeakPolarHBondContact CB-O 3.5Å; C725-L734 PolarHBondContact SG-O 3.24Å; C725-C736 VanDerWaalsContact CB-SG 3.54Å |
| 726 | H | 85.5 | Confident | 84 | Confident | 107 Ų | 107 | 50.4 Ų | 50.4 | 50% | 0.495 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 103.3 | 170.5 | -60.8 | -49.9 | 0 | 0 | 0 | 110.5 | A716 S717 | A716-H726 WeakPolarHBondContact CA-O 3.31Å; A716-H726 VanDerWaalsContact CB-O 3.29Å; A716-H726 WeakPolarHBondContact CB-O 3.32Å; S717-H726 PolarHBondContact N-O 2.04Å; S717-H726 WeakPolarHBondContact O-CB 3.2Å; S717-H726 PolarHBondContact O-N 2.94Å |
| 727 | C | 87.1 | Confident | 84.1 | Confident | 14 Ų | 14 | 53.1 Ų | 53.1 | 10% | 0.095 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -72 | 147.5 | -171 | -56.1 | 0 | 0 | 0 | 0 | 115 | C725 W731 C736 | C725-C727 PolarHBondContact O-N 2.73Å; C727-W731 WeakPolarHBondContact CB-O 3.2Å; C727-C736 WeakPolarHBondContact CA-SG 3.42Å; C727-C736 HydrophobicContact CB-CB 3.76Å; C727-C736 WeakPolarHBondContact CB-SG 3.14Å; C727-C736 WeakPolarHBondContact SG-CA 3.45Å; C727-C736 WeakPolarHBondContact SG-CB 3.09Å; C727-C736 CovalentContact SG-SG 2.04Å; C727-C736 PolarHBondContact SG-SG 3.5Å |
| 728 | T | 84.6 | Confident | 84.2 | Confident | 38 Ų | 38 | 55.1 Ų | 55.1 | 23% | 0.233 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -74.7 | 158.3 | 169.4 | 50.1 | 0 | 0 | 0 | 0 | 111.2 | N714 G715 G730 W731 | N714-T728 WeakPolarHBondContact O-CG2 3.41Å; N714-T728 PolarHBondContact O-OG1 3.45Å; G715-T728 WeakPolarHBondContact O-CG2 3.39Å; T728-G730 PolarHBondContact O-N 3.37Å; T728-W731 PolarHBondContact O-N 3.28Å |
| 729 | P | 86 | Confident | 84 | Confident | 64 Ų | 64 | 61.8 Ų | 61.8 | 42% | 0.416 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 132.6 | -177 | -27.5 | 36 | 0 | 0 | 0 | 114 | K747 | P729-K747 HydrophobicContact CG-CB 4.27Š|
| 730 | G | 82.4 | Confident | 84 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | 2.6 | -179 | 0 | 0 | 0 | 0 | 0 | 115.7 | T728 C740 G746 H763 | T728-G730 PolarHBondContact O-N 3.37Å; G730-C740 VanDerWaalsContact C-SG 3.56Å; G730-C740 PolarHBondContact O-N 2.01Å; G730-G746 PolarHBondContact N-O 2.73Å; G730-H763 WeakPolarHBondContact CA-O 3.44Å; G730-H763 PolarHBondContact O-ND1 2.94Å |
| 731 | W | 86.4 | Confident | 84.2 | Confident | 47 Ų | 47 | 62.9 Ų | 62.9 | 18% | 0.178 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 151.9 | 177.9 | -57.8 | 95.8 | 0 | 0 | 0 | 112.1 | N714 C727 T728 C736 Q738 R739 H763 | N714-W731 HydrophobicContact CB-CD2 4.01Å; N714-W731 HydrophobicContact CB-CG 4.05Å; N714-W731 WeakPolarHBondContact ND2-CZ3 2.98Å; C727-W731 WeakPolarHBondContact CB-O 3.2Å; T728-W731 PolarHBondContact O-N 3.28Å; W731-C736 HydrophobicContact CB-CB 4.5Å; W731-Q738 CarbonylContact C-O 3.5Å; W731-Q738 VanDerWaalsContact CA-O 3.27Å; W731-Q738 WeakPolarHBondContact CA-O 3.17Å; W731-R739 HydrophobicContact CE3-CG 4.1Å; W731-R739 HydrophobicContact CH2-CG 4.11Å; W731-R739 HydrophobicContact CZ3-CG 3.66Å; W731-H763 AromaticContact CZ2-CE1 3.94Å |
| 732 | T | 84.6 | Confident | 83.9 | Confident | 45 Ų | 45 | 61.2 Ų | 61.2 | 28% | 0.276 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | -176.2 | -176.7 | -168.7 | 0 | 0 | 0 | 0 | 111.3 | C736 Q738 | T732-C736 CarbonylContact O-C 3.58Å; T732-C736 WeakPolarHBondContact O-CA 3.41Å; T732-Q738 HydrophobicContact CG2-CB 4.18Å; T732-Q738 PolarHBondContact N-O 3.07Å; T732-Q738 WeakPolarHBondContact O-CB 3.01Å; T732-Q738 PolarHBondContact O-N 3.27Å; T732-Q738 VanDerWaalsContact O-N 3.11Å |
| 733 | G | 80.4 | Confident | 83.7 | Confident | 23 Ų | 23 | 59.1 Ų | 59.1 | 24% | 0.237 | 34% | 0.339 | C | S | . | . | S | Bend | trans | 78.5 | 164.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F735 C736 | G733-F735 PolarHBondContact O-N 2.62Å; G733-C736 PolarHBondContact O-N 2.93Å |
| 734 | L | 80.6 | Confident | 83.9 | Confident | 138 Ų | 138 | 62.8 Ų | 62.8 | 72% | 0.723 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -32 | -166.4 | -162.6 | 70 | 0 | 0 | 0 | 115.2 | C725 | C725-L734 WeakPolarHBondContact CB-O 3.5Å; C725-L734 PolarHBondContact SG-O 3.24Å |
| 735 | F | 84.3 | Confident | 84.1 | Confident | 97 Ų | 97 | 62.5 Ų | 62.5 | 43% | 0.425 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 10.3 | -179 | -55.7 | -63.3 | 0 | 0 | 0 | 113.6 | S711 H713 G733 T737 | S711-F735 WeakPolarHBondContact O-CD1 3.39Å; H713-F735 PolarHBondContact N-O 3.36Å; G733-F735 PolarHBondContact O-N 2.62Å; F735-T737 HydrophobicContact CB-CG2 4.11Å; F735-T737 PolarHBondContact O-N 2.69Å |
| 736 | C | 85.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 34% | 0.339 | C | S | . | . | S | Bend | trans | 56.7 | 27.1 | -175 | -52 | 0 | 0 | 0 | 0 | 114.8 | N714 A716 C725 C727 W731 T732 G733 | N714-C736 PolarHBondContact ND2-O 3Å; A716-C736 HydrophobicContact CB-CB 3.74Å; A716-C736 WeakPolarHBondContact CB-SG 3.29Å; C725-C736 VanDerWaalsContact CB-SG 3.54Å; C727-C736 WeakPolarHBondContact CA-SG 3.42Å; C727-C736 HydrophobicContact CB-CB 3.76Å; C727-C736 WeakPolarHBondContact CB-SG 3.14Å; C727-C736 WeakPolarHBondContact SG-CA 3.45Å; C727-C736 WeakPolarHBondContact SG-CB 3.09Å; C727-C736 CovalentContact SG-SG 2.04Å; C727-C736 PolarHBondContact SG-SG 3.5Å; W731-C736 HydrophobicContact CB-CB 4.5Å; T732-C736 CarbonylContact O-C 3.58Å; T732-C736 WeakPolarHBondContact O-CA 3.41Å; G733-C736 PolarHBondContact O-N 2.93Å |
| 737 | T | 83.5 | Confident | 83.7 | Confident | 71 Ų | 71 | 61.9 Ų | 61.9 | 44% | 0.436 | 34% | 0.338 | S | S | . | . | trans | -90.4 | -18.5 | 179.9 | 49.7 | 0 | 0 | 0 | 0 | 113.6 | H713 F735 | H713-T737 HydrophobicContact CB-CG2 3.82Å; H713-T737 VanDerWaalsContact CD2-CG2 3.5Å; H713-T737 WeakPolarHBondContact CD2-CG2 3.43Å; F735-T737 HydrophobicContact CB-CG2 4.11Å; F735-T737 PolarHBondContact O-N 2.69Å | ||
| 738 | Q | 85.1 | Confident | 83.3 | Confident | 118 Ų | 118 | 66 Ų | 66 | 55% | 0.551 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 140.2 | -179.2 | -52.7 | -179.4 | 7.9 | 0 | 0 | 109.8 | W731 T732 | W731-Q738 CarbonylContact C-O 3.5Å; W731-Q738 VanDerWaalsContact CA-O 3.27Å; W731-Q738 WeakPolarHBondContact CA-O 3.17Å; T732-Q738 HydrophobicContact CG2-CB 4.18Å; T732-Q738 PolarHBondContact N-O 3.07Å; T732-Q738 WeakPolarHBondContact O-CB 3.01Å; T732-Q738 PolarHBondContact O-N 3.27Å; T732-Q738 VanDerWaalsContact O-N 3.11Å |
| 739 | R | 84.1 | Confident | 83.3 | Confident | 167 Ų | 167 | 64.8 Ų | 64.8 | 63% | 0.63 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 156.8 | 169.8 | -60.4 | -179.4 | -176.9 | -175.5 | 2.4 | 109.4 | W731 H763 | W731-R739 HydrophobicContact CE3-CG 4.1Å; W731-R739 HydrophobicContact CH2-CG 4.11Å; W731-R739 HydrophobicContact CZ3-CG 3.66Å; R739-H763 HydrophobicContact CB-CB 4.47Å; R739-H763 WeakPolarHBondContact CD-NE2 3Å |
| 740 | C | 85.3 | Confident | 83.1 | Confident | 12 Ų | 12 | 65 Ų | 65 | 8% | 0.081 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -54 | 142.9 | 172.6 | -71.9 | 0 | 0 | 0 | 0 | 112.2 | G730 F744 C749 H763 | G730-C740 VanDerWaalsContact C-SG 3.56Å; G730-C740 PolarHBondContact O-N 2.01Å; C740-F744 HydrophobicContact CB-CB 4.4Å; C740-F744 VanDerWaalsContact CB-O 3.26Å; C740-F744 WeakPolarHBondContact CB-O 3.37Å; C740-C749 WeakPolarHBondContact CA-SG 3.49Å; C740-C749 HydrophobicContact CB-CB 3.79Å; C740-C749 WeakPolarHBondContact CB-SG 3.47Å; C740-C749 WeakPolarHBondContact SG-CA 3.32Å; C740-C749 WeakPolarHBondContact SG-CB 3.37Å; C740-C749 CovalentContact SG-SG 2.04Å; C740-C749 PolarHBondContact SG-SG 2.84Å; C740-H763 HydrophobicContact CB-CB 4.33Å |
| 741 | P | 85 | Confident | 83.2 | Confident | 77 Ų | 77 | 72.8 Ų | 72.8 | 50% | 0.5 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -56 | 156.4 | 177.7 | -26 | 35 | 0 | 0 | 0 | 112.6 | A743 F744 | P741-A743 PolarHBondContact O-N 3.3Å; P741-F744 HydrophobicContact CB-CD2 4.2Å; P741-F744 PolarHBondContact O-N 3.28Å |
| 742 | A | 74.6 | Confident | 83.3 | Confident | 98 Ų | 98 | 74.9 Ų | 74.9 | 81% | 0.81 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 134.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 743 | A | 78.9 | Confident | 83.3 | Confident | 52 Ų | 52 | 73.4 Ų | 73.4 | 43% | 0.43 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 11.1 | -169.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | P741 V752 C753 | P741-A743 PolarHBondContact O-N 3.3Å; A743-V752 CarbonylContact O-C 3.59Å; A743-V752 WeakPolarHBondContact O-CA 3.24Å; A743-C753 PolarHBondContact O-N 3.07Å |
| 744 | F | 86.6 | Confident | 83.5 | Confident | 87 Ų | 87 | 78.7 Ų | 78.7 | 38% | 0.382 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 149.4 | 174.2 | -64.7 | -92.9 | 0 | 0 | 0 | 113.5 | C740 P741 C749 R751 V752 | C740-F744 HydrophobicContact CB-CB 4.4Å; C740-F744 VanDerWaalsContact CB-O 3.26Å; C740-F744 WeakPolarHBondContact CB-O 3.37Å; P741-F744 HydrophobicContact CB-CD2 4.2Å; P741-F744 PolarHBondContact O-N 3.28Å; F744-C749 HydrophobicContact CB-CB 4.14Å; F744-C749 WeakPolarHBondContact CD1-O 3.03Å; F744-R751 CarbonylContact C-O 3.51Å; F744-R751 VanDerWaalsContact CA-O 3.3Å; F744-R751 WeakPolarHBondContact CA-O 3.36Å; F744-V752 HydrophobicContact CD1-CG2 4.19Å; F744-V752 HydrophobicContact CE1-CG2 3.81Å |
| 745 | F | 87.8 | Confident | 83.8 | Confident | 35 Ų | 35 | 73.6 Ų | 73.6 | 15% | 0.154 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 171.9 | -179.7 | 77.7 | -82.9 | 0 | 0 | 0 | 114 | C749 R751 H763 S765 G766 | F745-C749 CarbonylContact O-C 3.53Å; F745-R751 HydrophobicContact CD1-CB 3.79Å; F745-R751 VanDerWaalsContact CD1-O 3.3Å; F745-R751 WeakPolarHBondContact CD1-O 3.31Å; F745-R751 HydrophobicContact CD2-CB 4.34Å; F745-R751 HydrophobicContact CE1-CB 3.54Å; F745-R751 HydrophobicContact CE2-CB 4.14Å; F745-R751 HydrophobicContact CG-CB 4.2Å; F745-R751 HydrophobicContact CZ-CB 3.74Å; F745-R751 PolarHBondContact N-O 2.85Å; F745-R751 WeakPolarHBondContact O-CB 2.97Å; F745-R751 PolarHBondContact O-N 2.03Å; F745-H763 VanDerWaalsContact CA-O 3.26Å; F745-H763 WeakPolarHBondContact CA-O 3.27Å; F745-H763 WeakPolarHBondContact CB-O 3.44Å; F745-S765 VanDerWaalsContact CD2-C 3.5Å; F745-S765 WeakPolarHBondContact CE2-O 3.29Å; F745-G766 VanDerWaalsContact CD2-N 3.25Å |
| 746 | G | 82.3 | Confident | 83.7 | Confident | 6 Ų | 6 | 73.9 Ų | 73.9 | 6% | 0.062 | 40% | 0.401 | C | S | . | . | S | Bend | trans | 83.3 | -168.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | G730 C749 H763 | G730-G746 PolarHBondContact N-O 2.73Å; G746-C749 PolarHBondContact O-N 3.03Å; G746-H763 PolarHBondContact N-O 3.42Å |
| 747 | K | 81.8 | Confident | 83.3 | Confident | 110 Ų | 110 | 77.5 Ų | 77.5 | 48% | 0.478 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -64.5 | 137.5 | 178.1 | -158.7 | -169.6 | 173.2 | -80.2 | 0 | 110.3 | P729 C749 G750 | P729-K747 HydrophobicContact CG-CB 4.27Å; K747-C749 PolarHBondContact O-N 3.03Å; K747-G750 PolarHBondContact O-N 3.48Å; K747-G750 VanDerWaalsContact O-N 3.14Å |
| 748 | D | 80.2 | Confident | 82.8 | Confident | 100 Ų | 100 | 76.4 Ų | 76.4 | 54% | 0.535 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | 55 | 19.3 | 179.8 | -41 | -50.3 | 0 | 0 | 0 | 113 | G750 | D748-G750 PolarHBondContact O-N 2.84Å; D748-G750 VanDerWaalsContact O-N 3.1Å |
| 749 | C | 83.9 | Confident | 82.6 | Confident | 13 Ų | 13 | 71.5 Ų | 71.5 | 9% | 0.088 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | 53.2 | 20.5 | -172.6 | -51.3 | 0 | 0 | 0 | 0 | 115.4 | C740 F744 F745 G746 K747 R751 | C740-C749 WeakPolarHBondContact CA-SG 3.49Å; C740-C749 HydrophobicContact CB-CB 3.79Å; C740-C749 WeakPolarHBondContact CB-SG 3.47Å; C740-C749 WeakPolarHBondContact SG-CA 3.32Å; C740-C749 WeakPolarHBondContact SG-CB 3.37Å; C740-C749 CovalentContact SG-SG 2.04Å; C740-C749 PolarHBondContact SG-SG 2.84Å; F744-C749 HydrophobicContact CB-CB 4.14Å; F744-C749 WeakPolarHBondContact CD1-O 3.03Å; F745-C749 CarbonylContact O-C 3.53Å; G746-C749 PolarHBondContact O-N 3.03Å; K747-C749 PolarHBondContact O-N 3.03Å; C749-R751 PolarHBondContact O-N 3.46Å |
| 750 | G | 82.1 | Confident | 82.5 | Confident | 68 Ų | 68 | 67.3 Ų | 67.3 | 70% | 0.701 | 40% | 0.399 | S | S | * | . | trans | -73.5 | 11.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | K747 D748 | K747-G750 PolarHBondContact O-N 3.48Å; K747-G750 VanDerWaalsContact O-N 3.14Å; D748-G750 PolarHBondContact O-N 2.84Å; D748-G750 VanDerWaalsContact O-N 3.1Å | ||
| 751 | R | 83.8 | Confident | 82.5 | Confident | 164 Ų | 164 | 68.2 Ų | 68.2 | 62% | 0.619 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 133.1 | -179.3 | -57.7 | -176.7 | 178.1 | -169.4 | -1.7 | 111 | F744 F745 C749 | F744-R751 CarbonylContact C-O 3.51Å; F744-R751 VanDerWaalsContact CA-O 3.3Å; F744-R751 WeakPolarHBondContact CA-O 3.36Å; F745-R751 HydrophobicContact CD1-CB 3.79Å; F745-R751 VanDerWaalsContact CD1-O 3.3Å; F745-R751 WeakPolarHBondContact CD1-O 3.31Å; F745-R751 HydrophobicContact CD2-CB 4.34Å; F745-R751 HydrophobicContact CE1-CB 3.54Å; F745-R751 HydrophobicContact CE2-CB 4.14Å; F745-R751 HydrophobicContact CG-CB 4.2Å; F745-R751 HydrophobicContact CZ-CB 3.74Å; F745-R751 PolarHBondContact N-O 2.85Å; F745-R751 WeakPolarHBondContact O-CB 2.97Å; F745-R751 PolarHBondContact O-N 2.03Å; C749-R751 PolarHBondContact O-N 3.46Å |
| 752 | V | 87.7 | Confident | 82.5 | Confident | 91 Ų | 91 | 67.4 Ų | 67.4 | 55% | 0.552 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 130.2 | -179.3 | -175.9 | 0 | 0 | 0 | 0 | 110.8 | A743 F744 | A743-V752 CarbonylContact O-C 3.59Å; A743-V752 WeakPolarHBondContact O-CA 3.24Å; F744-V752 HydrophobicContact CD1-CG2 4.19Å; F744-V752 HydrophobicContact CE1-CG2 3.81Å |
| 753 | C | 85.3 | Confident | 82.8 | Confident | 14 Ų | 14 | 64.1 Ų | 64.1 | 10% | 0.095 | 36% | 0.364 | C | S | . | . | trans | -69.6 | 127.8 | 172.8 | -62.9 | 0 | 0 | 0 | 0 | 111 | A743 C755 C761 | A743-C753 PolarHBondContact O-N 3.07Å; C753-C755 VanDerWaalsContact C-N 3.3Å; C753-C755 PolarHBondContact O-N 2.87Å; C753-C761 HydrophobicContact CB-CB 3.58Å; C753-C761 WeakPolarHBondContact CB-SG 3.16Å; C753-C761 WeakPolarHBondContact SG-CB 3.12Å; C753-C761 CovalentContact SG-SG 2.03Å; C753-C761 PolarHBondContact SG-SG 3.19Å | ||
| 754 | Q | 86 | Confident | 83.1 | Confident | 135 Ų | 135 | 65.6 Ų | 65.6 | 63% | 0.631 | 36% | 0.364 | S | S | * | . | trans | -92.2 | 17.4 | -177.1 | -61.9 | -179.7 | -3 | 0 | 0 | 113.6 | ||||
| 755 | C | 85.8 | Confident | 83 | Confident | 30 Ų | 30 | 64.8 Ų | 64.8 | 20% | 0.203 | 37% | 0.37 | C | S | . | . | trans | -70.9 | 127.5 | -172.5 | -50.1 | 0 | 0 | 0 | 0 | 112.6 | C753 A759 C768 | C753-C755 VanDerWaalsContact C-N 3.3Å; C753-C755 PolarHBondContact O-N 2.87Å; C755-A759 HydrophobicContact CB-CB 4.12Å; C755-C768 WeakPolarHBondContact CA-SG 3.45Å; C755-C768 HydrophobicContact CB-CB 3.84Å; C755-C768 WeakPolarHBondContact CB-SG 3.35Å; C755-C768 WeakPolarHBondContact SG-CA 3.41Å; C755-C768 WeakPolarHBondContact SG-CB 3.35Å; C755-C768 CovalentContact SG-SG 2.04Å; C755-C768 PolarHBondContact SG-SG 3.29Å | ||
| 756 | Q | 81.8 | Confident | 82.7 | Confident | 103 Ų | 103 | 63.8 Ų | 63.8 | 48% | 0.481 | 37% | 0.369 | S | S | . | . | trans | -102.6 | 175.9 | -176.4 | -55.2 | -172.1 | 16.4 | 0 | 0 | 111.9 | G758 A759 H778 | Q756-G758 PolarHBondContact O-N 2.97Å; Q756-A759 VanDerWaalsContact O-CB 3.23Å; Q756-A759 WeakPolarHBondContact O-CB 3.27Å; Q756-A759 PolarHBondContact O-N 3.42Å; Q756-H778 PolarHBondContact N-O 3.5Å | ||
| 757 | N | 77.8 | Confident | 82.8 | Confident | 77 Ų | 77 | 70.8 Ų | 70.8 | 41% | 0.412 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 31.5 | 173.3 | -60.6 | -54.5 | 0 | 0 | 0 | 114.9 | A759 F774 C779 | N757-A759 VanDerWaalsContact C-N 3.27Å; N757-A759 PolarHBondContact O-N 3.02Å; N757-F774 HydrophobicContact CB-CD1 3.7Å; N757-F774 HydrophobicContact CB-CD2 4.32Å; N757-F774 HydrophobicContact CB-CE1 3.7Å; N757-F774 HydrophobicContact CB-CE2 4.34Å; N757-F774 HydrophobicContact CB-CG 4.01Å; N757-F774 HydrophobicContact CB-CZ 4.04Å; N757-F774 WeakPolarHBondContact ND2-CD1 3.35Å; N757-C779 PolarHBondContact ND2-O 3.32Å |
| 758 | G | 73.5 | Confident | 83 | Confident | 48 Ų | 48 | 66.2 Ų | 66.2 | 50% | 0.495 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 15.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q756 R771 | Q756-G758 PolarHBondContact O-N 2.97Å; G758-R771 PolarHBondContact O-NE 2.97Å; G758-R771 PolarHBondContact O-NH2 3.1Å |
| 759 | A | 80.1 | Confident | 83.2 | Confident | 15 Ų | 15 | 64.8 Ų | 64.8 | 12% | 0.124 | 37% | 0.374 | C | S | . | . | trans | -61.8 | 146.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | C755 Q756 N757 T769 C779 | C755-A759 HydrophobicContact CB-CB 4.12Å; Q756-A759 VanDerWaalsContact O-CB 3.23Å; Q756-A759 WeakPolarHBondContact O-CB 3.27Å; Q756-A759 PolarHBondContact O-N 3.42Å; N757-A759 VanDerWaalsContact C-N 3.27Å; N757-A759 PolarHBondContact O-N 3.02Å; A759-T769 WeakPolarHBondContact CA-O 3Å; A759-T769 WeakPolarHBondContact CB-O 3.02Å; A759-C779 HydrophobicContact CB-CB 3.61Å; A759-C779 WeakPolarHBondContact CB-SG 3.34Å | ||
| 760 | S | 82.4 | Confident | 83.2 | Confident | 79 Ų | 79 | 65.3 Ų | 65.3 | 55% | 0.552 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 146.3 | 179.4 | -169.1 | 0 | 0 | 0 | 0 | 111.1 | C768 T769 | S760-C768 CarbonylContact O-C 3.35Å; S760-C768 WeakPolarHBondContact O-CA 3.18Å; S760-T769 WeakPolarHBondContact CB-OG1 3.29Å; S760-T769 PolarHBondContact N-O 3.41Å; S760-T769 VanDerWaalsContact N-O 3.08Å; S760-T769 PolarHBondContact O-N 3.32Å; S760-T769 PolarHBondContact O-OG1 3.03Å |
| 761 | C | 85.6 | Confident | 83.1 | Confident | 30 Ų | 30 | 69.7 Ų | 69.7 | 20% | 0.203 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 135.8 | -179.7 | -172.2 | 0 | 0 | 0 | 0 | 111 | C753 H763 | C753-C761 HydrophobicContact CB-CB 3.58Å; C753-C761 WeakPolarHBondContact CB-SG 3.16Å; C753-C761 WeakPolarHBondContact SG-CB 3.12Å; C753-C761 CovalentContact SG-SG 2.03Å; C753-C761 PolarHBondContact SG-SG 3.19Å; C761-H763 PolarHBondContact O-N 2.75Å |
| 762 | D | 84.6 | Confident | 83 | Confident | 60 Ų | 60 | 65.2 Ų | 65.2 | 32% | 0.321 | 36% | 0.364 | S | S | . | . | trans | -71.6 | 123.7 | 168.2 | 176.8 | -115 | 0 | 0 | 0 | 111.3 | I764 S765 G766 K767 | D762-I764 VanDerWaalsContact C-N 3.26Å; D762-I764 PolarHBondContact O-N 3.29Å; D762-I764 PolarHBondContact OD1-N 3.41Å; D762-S765 VanDerWaalsContact OD1-CB 3.29Å; D762-S765 WeakPolarHBondContact OD1-CB 3.28Å; D762-S765 PolarHBondContact OD1-N 2.79Å; D762-S765 PolarHBondContact OD1-OG 2.97Å; D762-G766 VanDerWaalsContact O-CA 3.31Å; D762-G766 WeakPolarHBondContact O-CA 2.97Å; D762-G766 PolarHBondContact O-N 2.83Å; D762-K767 HydrophobicContact CB-CB 4.38Å; D762-K767 PolarHBondContact N-O 3.05Å | ||
| 763 | H | 81.9 | Confident | 82.6 | Confident | 30 Ų | 30 | 60.9 Ų | 60.9 | 14% | 0.139 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -20.2 | -172.2 | 64.9 | 105.5 | 0 | 0 | 0 | 114.1 | G730 W731 R739 C740 F745 G746 C761 | G730-H763 WeakPolarHBondContact CA-O 3.44Å; G730-H763 PolarHBondContact O-ND1 2.94Å; W731-H763 AromaticContact CZ2-CE1 3.94Å; R739-H763 HydrophobicContact CB-CB 4.47Å; R739-H763 WeakPolarHBondContact CD-NE2 3Å; C740-H763 HydrophobicContact CB-CB 4.33Å; F745-H763 VanDerWaalsContact CA-O 3.26Å; F745-H763 WeakPolarHBondContact CA-O 3.27Å; F745-H763 WeakPolarHBondContact CB-O 3.44Å; G746-H763 PolarHBondContact N-O 3.42Å; C761-H763 PolarHBondContact O-N 2.75Å |
| 764 | I | 84.3 | Confident | 82.5 | Confident | 82 Ų | 82 | 61.8 Ų | 61.8 | 42% | 0.421 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -52 | 179.7 | -55.6 | 178.5 | 0 | 0 | 0 | 110.4 | D762 | D762-I764 VanDerWaalsContact C-N 3.26Å; D762-I764 PolarHBondContact O-N 3.29Å; D762-I764 PolarHBondContact OD1-N 3.41Å |
| 765 | S | 84.1 | Confident | 82.3 | Confident | 71 Ų | 71 | 57.8 Ų | 57.8 | 50% | 0.497 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | -15.6 | -169.8 | 67.5 | 0 | 0 | 0 | 0 | 115.3 | F745 D762 K767 | F745-S765 VanDerWaalsContact CD2-C 3.5Å; F745-S765 WeakPolarHBondContact CE2-O 3.29Å; D762-S765 VanDerWaalsContact OD1-CB 3.29Å; D762-S765 WeakPolarHBondContact OD1-CB 3.28Å; D762-S765 PolarHBondContact OD1-N 2.79Å; D762-S765 PolarHBondContact OD1-OG 2.97Å; S765-K767 VanDerWaalsContact C-N 3.25Å; S765-K767 PolarHBondContact O-N 3.01Å; S765-K767 WeakPolarHBondContact OG-CB 3.38Å; S765-K767 PolarHBondContact OG-N 2.9Å |
| 766 | G | 81.5 | Confident | 82 | Confident | 13 Ų | 13 | 57.4 Ų | 57.4 | 13% | 0.134 | 33% | 0.326 | C | S | . | . | trans | 77.8 | 5.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | F745 D762 C768 | F745-G766 VanDerWaalsContact CD2-N 3.25Å; D762-G766 VanDerWaalsContact O-CA 3.31Å; D762-G766 WeakPolarHBondContact O-CA 2.97Å; D762-G766 PolarHBondContact O-N 2.83Å; G766-C768 PolarHBondContact O-N 2.03Å | ||
| 767 | K | 84.5 | Confident | 81.8 | Confident | 153 Ų | 153 | 60.3 Ų | 60.3 | 67% | 0.665 | 34% | 0.34 | S | S | * | . | trans | -70.2 | 128.8 | -176.1 | -174.3 | 176 | 179.9 | 179.3 | 0 | 111.4 | D762 S765 | D762-K767 HydrophobicContact CB-CB 4.38Å; D762-K767 PolarHBondContact N-O 3.05Å; S765-K767 VanDerWaalsContact C-N 3.25Å; S765-K767 PolarHBondContact O-N 3.01Å; S765-K767 WeakPolarHBondContact OG-CB 3.38Å; S765-K767 PolarHBondContact OG-N 2.9Å | ||
| 768 | C | 86.1 | Confident | 82.1 | Confident | 15 Ų | 15 | 59.8 Ų | 59.8 | 10% | 0.101 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 143.7 | 176.9 | -55 | 0 | 0 | 0 | 0 | 112.2 | C755 S760 G766 | C755-C768 WeakPolarHBondContact CA-SG 3.45Å; C755-C768 HydrophobicContact CB-CB 3.84Å; C755-C768 WeakPolarHBondContact CB-SG 3.35Å; C755-C768 WeakPolarHBondContact SG-CA 3.41Å; C755-C768 WeakPolarHBondContact SG-CB 3.35Å; C755-C768 CovalentContact SG-SG 2.04Å; C755-C768 PolarHBondContact SG-SG 3.29Å; S760-C768 CarbonylContact O-C 3.35Å; S760-C768 WeakPolarHBondContact O-CA 3.18Å; G766-C768 PolarHBondContact O-N 2.03Å |
| 769 | T | 83.6 | Confident | 82.6 | Confident | 69 Ų | 69 | 57.5 Ų | 57.5 | 42% | 0.423 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 111.5 | 171.3 | 44.5 | 0 | 0 | 0 | 0 | 109.1 | A759 S760 | A759-T769 WeakPolarHBondContact CA-O 3Å; A759-T769 WeakPolarHBondContact CB-O 3.02Å; S760-T769 WeakPolarHBondContact CB-OG1 3.29Å; S760-T769 PolarHBondContact N-O 3.41Å; S760-T769 VanDerWaalsContact N-O 3.08Å; S760-T769 PolarHBondContact O-N 3.32Å; S760-T769 PolarHBondContact O-OG1 3.03Å |
| 770 | C | 84.1 | Confident | 82.8 | Confident | 24 Ų | 24 | 60 Ų | 60 | 16% | 0.162 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 144.8 | -167.5 | -52.1 | 0 | 0 | 0 | 0 | 112.7 | F774 C779 Y790 | C770-F774 WeakPolarHBondContact CB-O 3.06Å; C770-C779 WeakPolarHBondContact CA-SG 3.31Å; C770-C779 HydrophobicContact CB-CB 3.66Å; C770-C779 WeakPolarHBondContact CB-SG 3.38Å; C770-C779 PolarHBondContact N-SG 3.34Å; C770-C779 VanDerWaalsContact N-SG 3.41Å; C770-C779 WeakPolarHBondContact SG-CA 3.28Å; C770-C779 WeakPolarHBondContact SG-CB 3.3Å; C770-C779 CovalentContact SG-SG 2.03Å; C770-C779 PolarHBondContact SG-SG 3.01Å; C770-Y790 VanDerWaalsContact O-CE2 3.23Å; C770-Y790 WeakPolarHBondContact O-CE2 3.28Å |
| 771 | R | 80.8 | Confident | 82.8 | Confident | 161 Ų | 161 | 61.1 Ų | 61.1 | 61% | 0.608 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 160.1 | 167.4 | -66 | -168.7 | -178.7 | -145 | 1.7 | 110.4 | G758 G773 F774 | G758-R771 PolarHBondContact O-NE 2.97Å; G758-R771 PolarHBondContact O-NH2 3.1Å; R771-G773 PolarHBondContact O-N 3.3Å; R771-F774 PolarHBondContact O-N 3.43Å |
| 772 | T | 82.3 | Confident | 82.6 | Confident | 70 Ų | 70 | 67.8 Ų | 67.8 | 43% | 0.429 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 133.4 | 173.5 | 45.6 | 0 | 0 | 0 | 0 | 111.6 | ||
| 773 | G | 77.8 | Confident | 82.5 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | 5.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | R771 C783 G789 H806 | R771-G773 PolarHBondContact O-N 3.3Å; G773-C783 VanDerWaalsContact CA-SG 3.51Å; G773-C783 PolarHBondContact O-N 3.48Å; G773-C783 VanDerWaalsContact O-N 3.12Å; G773-G789 PolarHBondContact N-O 3.45Å; G773-H806 WeakPolarHBondContact CA-O 3.48Å; G773-H806 PolarHBondContact O-ND1 2.94Å; G773-H806 VanDerWaalsContact O-ND1 3.1Å |
| 774 | F | 83.4 | Confident | 82.4 | Confident | 33 Ų | 33 | 66.9 Ų | 66.9 | 15% | 0.145 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 152.1 | 177.7 | -61 | -90.4 | 0 | 0 | 0 | 112.5 | N757 C770 R771 Q781 R782 | N757-F774 HydrophobicContact CB-CD1 3.7Å; N757-F774 HydrophobicContact CB-CD2 4.32Å; N757-F774 HydrophobicContact CB-CE1 3.7Å; N757-F774 HydrophobicContact CB-CE2 4.34Å; N757-F774 HydrophobicContact CB-CG 4.01Å; N757-F774 HydrophobicContact CB-CZ 4.04Å; N757-F774 WeakPolarHBondContact ND2-CD1 3.35Å; C770-F774 WeakPolarHBondContact CB-O 3.06Å; R771-F774 PolarHBondContact O-N 3.43Å; F774-Q781 CarbonylContact C-O 3.54Å; F774-Q781 WeakPolarHBondContact CA-O 2.98Å; F774-R782 HydrophobicContact CD1-CG 4.24Å; F774-R782 HydrophobicContact CE1-CG 3.94Å |
| 775 | T | 81.5 | Confident | 82 | Confident | 50 Ų | 50 | 69.7 Ų | 69.7 | 31% | 0.307 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | -175.4 | -178.8 | -168.2 | 0 | 0 | 0 | 0 | 110.5 | C779 E780 Q781 | T775-C779 CarbonylContact O-C 3.52Å; T775-C779 VanDerWaalsContact O-C 3.3Å; T775-C779 VanDerWaalsContact O-CA 3.28Å; T775-C779 WeakPolarHBondContact O-CA 3.38Å; T775-E780 PolarHBondContact O-N 3.05Å; T775-Q781 HydrophobicContact CG2-CB 4Å; T775-Q781 PolarHBondContact N-O 3.31Å; T775-Q781 WeakPolarHBondContact O-CA 3.2Å; T775-Q781 WeakPolarHBondContact O-CB 3.26Å; T775-Q781 PolarHBondContact O-N 2.97Å |
| 776 | G | 79.7 | Confident | 81.5 | Confident | 22 Ų | 22 | 67.6 Ų | 67.6 | 23% | 0.227 | 36% | 0.356 | C | S | . | . | S | Bend | trans | 95 | 168 | -169 | 0 | 0 | 0 | 0 | 0 | 112.6 | H778 C779 E780 | G776-H778 VanDerWaalsContact C-N 3.28Å; G776-H778 PolarHBondContact O-N 3.17Å; G776-C779 PolarHBondContact O-N 2.9Å; G776-E780 WeakPolarHBondContact CA-OE1 3.43Å |
| 777 | Q | 78.5 | Confident | 81.7 | Confident | 165 Ų | 165 | 68.4 Ų | 68.4 | 77% | 0.771 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -25.8 | -173.5 | -66.1 | -168 | 5.1 | 0 | 0 | 113.1 | E780 | Q777-E780 PolarHBondContact N-OE2 2.85Š|
| 778 | H | 83.8 | Confident | 81.7 | Confident | 66 Ų | 66 | 62.9 Ų | 62.9 | 31% | 0.306 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | 13.3 | 176.3 | -59.7 | -57.6 | 0 | 0 | 0 | 111.9 | Q756 G776 E780 | Q756-H778 PolarHBondContact N-O 3.5Å; G776-H778 VanDerWaalsContact C-N 3.28Å; G776-H778 PolarHBondContact O-N 3.17Å; H778-E780 VanDerWaalsContact C-OE2 3.26Å; H778-E780 VanDerWaalsContact CA-OE2 3.29Å; H778-E780 WeakPolarHBondContact CA-OE2 3.24Å; H778-E780 WeakPolarHBondContact CB-OE2 3.19Å; H778-E780 PolarHBondContact N-OE2 3.23Å; H778-E780 PolarHBondContact O-N 2.03Å |
| 779 | C | 83.7 | Confident | 81.3 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | S | Bend | trans | 60.3 | 27.3 | -176.1 | -47.8 | 0 | 0 | 0 | 0 | 113.3 | N757 A759 C770 T775 G776 | N757-C779 PolarHBondContact ND2-O 3.32Å; A759-C779 HydrophobicContact CB-CB 3.61Å; A759-C779 WeakPolarHBondContact CB-SG 3.34Å; C770-C779 WeakPolarHBondContact CA-SG 3.31Å; C770-C779 HydrophobicContact CB-CB 3.66Å; C770-C779 WeakPolarHBondContact CB-SG 3.38Å; C770-C779 PolarHBondContact N-SG 3.34Å; C770-C779 VanDerWaalsContact N-SG 3.41Å; C770-C779 WeakPolarHBondContact SG-CA 3.28Å; C770-C779 WeakPolarHBondContact SG-CB 3.3Å; C770-C779 CovalentContact SG-SG 2.03Å; C770-C779 PolarHBondContact SG-SG 3.01Å; T775-C779 CarbonylContact O-C 3.52Å; T775-C779 VanDerWaalsContact O-C 3.3Å; T775-C779 VanDerWaalsContact O-CA 3.28Å; T775-C779 WeakPolarHBondContact O-CA 3.38Å; G776-C779 PolarHBondContact O-N 2.9Å |
| 780 | E | 84.9 | Confident | 81.2 | Confident | 68 Ų | 68 | 65.7 Ų | 65.7 | 32% | 0.318 | 34% | 0.338 | S | S | . | . | trans | -75.6 | -21.7 | -176.1 | 72.8 | -69.6 | 169.6 | 0 | 0 | 113.3 | T775 G776 Q777 H778 | T775-E780 PolarHBondContact O-N 3.05Å; G776-E780 WeakPolarHBondContact CA-OE1 3.43Å; Q777-E780 PolarHBondContact N-OE2 2.85Å; H778-E780 VanDerWaalsContact C-OE2 3.26Å; H778-E780 VanDerWaalsContact CA-OE2 3.29Å; H778-E780 WeakPolarHBondContact CA-OE2 3.24Å; H778-E780 WeakPolarHBondContact CB-OE2 3.19Å; H778-E780 PolarHBondContact N-OE2 3.23Å; H778-E780 PolarHBondContact O-N 2.03Å | ||
| 781 | Q | 82.7 | Confident | 80.8 | Confident | 102 Ų | 102 | 66 Ų | 66 | 48% | 0.477 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 142 | -174.2 | -46.1 | 179.6 | 24.7 | 0 | 0 | 110.2 | F774 T775 | F774-Q781 CarbonylContact C-O 3.54Å; F774-Q781 WeakPolarHBondContact CA-O 2.98Å; T775-Q781 HydrophobicContact CG2-CB 4Å; T775-Q781 PolarHBondContact N-O 3.31Å; T775-Q781 WeakPolarHBondContact O-CA 3.2Å; T775-Q781 WeakPolarHBondContact O-CB 3.26Å; T775-Q781 PolarHBondContact O-N 2.97Å |
| 782 | R | 81.7 | Confident | 80.8 | Confident | 170 Ų | 170 | 59.3 Ų | 59.3 | 64% | 0.642 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 160.8 | 165.2 | -60.1 | 174 | -170.7 | -139.5 | 11.5 | 109 | F774 H806 | F774-R782 HydrophobicContact CD1-CG 4.24Å; F774-R782 HydrophobicContact CE1-CG 3.94Å; R782-H806 PolarHBondContact NH1-NE2 3.16Å; R782-H806 VanDerWaalsContact NH1-NE2 3.18Å |
| 783 | C | 81.3 | Confident | 80.7 | Confident | 11 Ų | 11 | 64.1 Ų | 64.1 | 7% | 0.074 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 143.4 | 171.2 | -60.9 | 0 | 0 | 0 | 0 | 112 | G773 T787 C792 H806 | G773-C783 VanDerWaalsContact CA-SG 3.51Å; G773-C783 PolarHBondContact O-N 3.48Å; G773-C783 VanDerWaalsContact O-N 3.12Å; C783-T787 WeakPolarHBondContact CB-O 3.37Å; C783-C792 WeakPolarHBondContact CA-SG 3.2Å; C783-C792 HydrophobicContact CB-CB 3.61Å; C783-C792 WeakPolarHBondContact CB-SG 3.43Å; C783-C792 WeakPolarHBondContact SG-CA 3.41Å; C783-C792 WeakPolarHBondContact SG-CB 3.49Å; C783-C792 CovalentContact SG-SG 2.03Å; C783-C792 PolarHBondContact SG-SG 3.5Å; C783-H806 HydrophobicContact CB-CB 4.18Å |
| 784 | A | 80.6 | Confident | 80.8 | Confident | 60 Ų | 60 | 69 Ų | 69 | 50% | 0.496 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 149.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | G786 T787 | A784-G786 PolarHBondContact O-N 2.85Å; A784-G786 VanDerWaalsContact O-N 3.17Å; A784-T787 PolarHBondContact N-OG1 3.39Å; A784-T787 VanDerWaalsContact N-OG1 3.13Å; A784-T787 PolarHBondContact O-N 3.08Å; A784-T787 PolarHBondContact O-OG1 3.15Å |
| 785 | P | 75.4 | Confident | 80.7 | Confident | 141 Ų | 141 | 73.4 Ų | 73.4 | 92% | 0.916 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 124.1 | 178.2 | -26.5 | 35.1 | 0 | 0 | 0 | 111.5 | ||
| 786 | G | 74.8 | Confident | 80.6 | Confident | 27 Ų | 27 | 71.8 Ų | 71.8 | 28% | 0.278 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.2 | 4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | A784 L795 C796 | A784-G786 PolarHBondContact O-N 2.85Å; A784-G786 VanDerWaalsContact O-N 3.17Å; G786-L795 CarbonylContact O-C 3.5Å; G786-L795 WeakPolarHBondContact O-CA 3.04Å; G786-L795 WeakPolarHBondContact O-CD1 3.02Å; G786-C796 VanDerWaalsContact C-SG 3.58Å; G786-C796 PolarHBondContact O-N 2.87Å |
| 787 | T | 84.3 | Confident | 80.6 | Confident | 30 Ų | 30 | 76.1 Ų | 76.1 | 18% | 0.184 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 150.8 | 174.7 | 60.6 | 0 | 0 | 0 | 0 | 113.1 | C783 A784 Q794 L795 | C783-T787 WeakPolarHBondContact CB-O 3.37Å; A784-T787 PolarHBondContact N-OG1 3.39Å; A784-T787 VanDerWaalsContact N-OG1 3.13Å; A784-T787 PolarHBondContact O-N 3.08Å; A784-T787 PolarHBondContact O-OG1 3.15Å; T787-Q794 CarbonylContact C-O 3.54Å; T787-Q794 WeakPolarHBondContact CA-O 3.43Å; T787-L795 HydrophobicContact CG2-CD1 4.34Å |
| 788 | F | 85.1 | Confident | 80.6 | Confident | 36 Ų | 36 | 69.7 Ų | 69.7 | 16% | 0.158 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | -178.8 | -179.2 | 75.3 | -78.6 | 0 | 0 | 0 | 113.3 | C792 Q794 H806 T808 G809 | F788-C792 CarbonylContact O-C 3.52Å; F788-C792 WeakPolarHBondContact O-CA 3.4Å; F788-Q794 HydrophobicContact CD1-CB 3.82Å; F788-Q794 WeakPolarHBondContact CD1-O 3.4Å; F788-Q794 HydrophobicContact CD2-CB 4.3Å; F788-Q794 HydrophobicContact CE1-CB 3.61Å; F788-Q794 HydrophobicContact CE2-CB 4.11Å; F788-Q794 HydrophobicContact CG-CB 4.18Å; F788-Q794 HydrophobicContact CZ-CB 3.76Å; F788-Q794 PolarHBondContact N-O 2.98Å; F788-Q794 WeakPolarHBondContact O-CB 3.33Å; F788-Q794 PolarHBondContact O-N 2.04Å; F788-H806 VanDerWaalsContact CA-O 3.29Å; F788-H806 WeakPolarHBondContact CA-O 3.01Å; F788-H806 WeakPolarHBondContact CB-O 2.99Å; F788-T808 VanDerWaalsContact CD2-C 3.5Å; F788-G809 VanDerWaalsContact CD2-CA 3.42Å; F788-G809 VanDerWaalsContact CD2-N 3.32Å; F788-G809 VanDerWaalsContact CG-CA 3.41Å |
| 789 | G | 77.9 | Confident | 80.2 | Confident | 5 Ų | 5 | 71.1 Ų | 71.1 | 5% | 0.052 | 37% | 0.373 | C | S | . | . | S | Bend | trans | 83.1 | -165.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | G773 G791 C792 | G773-G789 PolarHBondContact N-O 3.45Å; G789-G791 PolarHBondContact O-N 3.32Å; G789-C792 PolarHBondContact O-N 3.27Å |
| 790 | Y | 80.3 | Confident | 79.5 | Confident | 139 Ų | 139 | 74.9 Ų | 74.9 | 55% | 0.545 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -69 | 127.2 | 179.2 | -174.2 | -97.5 | 0 | 0 | 0 | 110.7 | C770 C792 | C770-Y790 VanDerWaalsContact O-CE2 3.23Å; C770-Y790 WeakPolarHBondContact O-CE2 3.28Å; Y790-C792 PolarHBondContact O-N 2.63Å; Y790-C792 VanDerWaalsContact O-N 3.11Å |
| 791 | G | 76.8 | Confident | 78.8 | Confident | 31 Ų | 31 | 79.4 Ų | 79.4 | 32% | 0.32 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | 61.3 | 15.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | G789 Q793 | G789-G791 PolarHBondContact O-N 3.32Å; G791-Q793 VanDerWaalsContact C-N 3.26Å; G791-Q793 PolarHBondContact O-N 3.26Å |
| 792 | C | 80.1 | Confident | 78.4 | Confident | 20 Ų | 20 | 75.4 Ų | 75.4 | 14% | 0.135 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | 59.1 | 29.9 | -180 | -49.2 | 0 | 0 | 0 | 0 | 115 | C783 F788 G789 Y790 | C783-C792 WeakPolarHBondContact CA-SG 3.2Å; C783-C792 HydrophobicContact CB-CB 3.61Å; C783-C792 WeakPolarHBondContact CB-SG 3.43Å; C783-C792 WeakPolarHBondContact SG-CA 3.41Å; C783-C792 WeakPolarHBondContact SG-CB 3.49Å; C783-C792 CovalentContact SG-SG 2.03Å; C783-C792 PolarHBondContact SG-SG 3.5Å; F788-C792 CarbonylContact O-C 3.52Å; F788-C792 WeakPolarHBondContact O-CA 3.4Å; G789-C792 PolarHBondContact O-N 3.27Å; Y790-C792 PolarHBondContact O-N 2.63Å; Y790-C792 VanDerWaalsContact O-N 3.11Å |
| 793 | Q | 81.4 | Confident | 78.3 | Confident | 170 Ų | 170 | 72 Ų | 72 | 79% | 0.794 | 40% | 0.401 | S | S | * | . | trans | -85.7 | -8.1 | -174.1 | -61.7 | -176.2 | -11.6 | 0 | 0 | 114.4 | G791 | G791-Q793 VanDerWaalsContact C-N 3.26Å; G791-Q793 PolarHBondContact O-N 3.26Å | ||
| 794 | Q | 79.6 | Confident | 78.4 | Confident | 102 Ų | 102 | 72.8 Ų | 72.8 | 48% | 0.477 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 135.1 | -177.1 | -54.1 | -177.8 | 17.8 | 0 | 0 | 109.8 | T787 F788 | T787-Q794 CarbonylContact C-O 3.54Å; T787-Q794 WeakPolarHBondContact CA-O 3.43Å; F788-Q794 HydrophobicContact CD1-CB 3.82Å; F788-Q794 WeakPolarHBondContact CD1-O 3.4Å; F788-Q794 HydrophobicContact CD2-CB 4.3Å; F788-Q794 HydrophobicContact CE1-CB 3.61Å; F788-Q794 HydrophobicContact CE2-CB 4.11Å; F788-Q794 HydrophobicContact CG-CB 4.18Å; F788-Q794 HydrophobicContact CZ-CB 3.76Å; F788-Q794 PolarHBondContact N-O 2.98Å; F788-Q794 WeakPolarHBondContact O-CB 3.33Å; F788-Q794 PolarHBondContact O-N 2.04Å |
| 795 | L | 81.1 | Confident | 78.4 | Confident | 126 Ų | 126 | 71.8 Ų | 71.8 | 66% | 0.66 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 132.5 | -176.9 | -166.3 | 79.7 | 0 | 0 | 0 | 111 | G786 T787 E797 | G786-L795 CarbonylContact O-C 3.5Å; G786-L795 WeakPolarHBondContact O-CA 3.04Å; G786-L795 WeakPolarHBondContact O-CD1 3.02Å; T787-L795 HydrophobicContact CG2-CD1 4.34Å; L795-E797 PolarHBondContact O-N 3.49Å |
| 796 | C | 79.9 | Confident | 78.6 | Confident | 17 Ų | 17 | 67 Ų | 67 | 12% | 0.115 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 116.8 | 174.5 | -56.5 | 0 | 0 | 0 | 0 | 110.9 | G786 C798 C804 | G786-C796 VanDerWaalsContact C-SG 3.58Å; G786-C796 PolarHBondContact O-N 2.87Å; C796-C798 VanDerWaalsContact C-N 3.3Å; C796-C798 PolarHBondContact O-N 3.07Å; C796-C804 HydrophobicContact CB-CB 3.5Å; C796-C804 VanDerWaalsContact CB-CB 3.5Å; C796-C804 WeakPolarHBondContact CB-SG 2.86Å; C796-C804 WeakPolarHBondContact SG-CB 3.25Å; C796-C804 CovalentContact SG-SG 2.03Å; C796-C804 PolarHBondContact SG-SG 2.79Å |
| 797 | E | 78.8 | Confident | 78.9 | Confident | 113 Ų | 113 | 68.1 Ų | 68.1 | 53% | 0.528 | 36% | 0.359 | S | S | . | . | trans | -92.2 | 35.9 | -176.9 | -53.4 | -161.2 | 123.7 | 0 | 0 | 114.6 | L795 R821 | L795-E797 PolarHBondContact O-N 3.49Å; E797-R821 VanDerWaalsContact CB-CZ 3.45Å; E797-R821 PolarHBondContact O-NE 2.9Å; E797-R821 PolarHBondContact O-NH2 2.91Å; E797-R821 IonicContact OE2-CZ 2.71Å; E797-R821 IonicContact OE2-NE 3.76Å; E797-R821 IonicContact OE2-NH1 3.16Å; E797-R821 PolarHBondContact OE2-NH1 3.38Å; E797-R821 IonicContact OE2-NH2 3.78Å | ||
| 798 | C | 79.4 | Confident | 78.7 | Confident | 29 Ų | 29 | 70.5 Ų | 70.5 | 20% | 0.196 | 37% | 0.374 | C | S | . | . | trans | -75.1 | 134.1 | -174.8 | -52.3 | 0 | 0 | 0 | 0 | 112.3 | C796 S802 C811 | C796-C798 VanDerWaalsContact C-N 3.3Å; C796-C798 PolarHBondContact O-N 3.07Å; C798-S802 WeakPolarHBondContact CB-OG 3.01Å; C798-C811 WeakPolarHBondContact CA-SG 3.42Å; C798-C811 HydrophobicContact CB-CB 3.79Å; C798-C811 WeakPolarHBondContact CB-SG 3.03Å; C798-C811 VanDerWaalsContact SG-CA 3.59Å; C798-C811 WeakPolarHBondContact SG-CB 3.06Å; C798-C811 CovalentContact SG-SG 2.03Å; C798-C811 PolarHBondContact SG-SG 3.3Å | ||
| 799 | M | 75.2 | Confident | 78.2 | Confident | 96 Ų | 96 | 69.5 Ų | 69.5 | 47% | 0.473 | 37% | 0.374 | S | S | . | . | trans | -103.5 | 173.9 | -177.4 | -54.8 | -166.5 | 78.5 | 0 | 0 | 112 | N801 S802 R821 D823 | M799-N801 VanDerWaalsContact C-N 3.28Å; M799-N801 PolarHBondContact O-N 2.79Å; M799-S802 WeakPolarHBondContact O-CB 3.3Å; M799-S802 PolarHBondContact O-N 2.74Å; M799-S802 PolarHBondContact O-OG 2.97Å; M799-R821 WeakPolarHBondContact CB-O 3.18Å; M799-R821 PolarHBondContact N-O 3.08Å; M799-D823 HydrophobicContact SD-CB 4.47Å | ||
| 800 | N | 68.6 | Low | 78.3 | Confident | 80 Ų | 80 | 72.7 Ų | 72.7 | 43% | 0.428 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 38.7 | 175.7 | -60.5 | -43.3 | 0 | 0 | 0 | 114.6 | S802 S814 F817 C822 | N800-S802 PolarHBondContact O-N 2.72Å; N800-S814 PolarHBondContact O-OG 3.01Å; N800-F817 HydrophobicContact CB-CD1 4.43Å; N800-F817 HydrophobicContact CB-CE1 4.46Å; N800-F817 HydrophobicContact CB-CG 4.49Å; N800-F817 WeakPolarHBondContact ND2-CD1 3.34Å; N800-F817 WeakPolarHBondContact ND2-CE1 3.42Å; N800-C822 PolarHBondContact ND2-O 3.07Å |
| 801 | N | 71 | Confident | 78.4 | Confident | 163 Ų | 163 | 67.2 Ų | 67.2 | 87% | 0.872 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 30.2 | 178.3 | -155.9 | 38.4 | 0 | 0 | 0 | 114.6 | M799 | M799-N801 VanDerWaalsContact C-N 3.28Å; M799-N801 PolarHBondContact O-N 2.79Å |
| 802 | S | 73.4 | Confident | 78.6 | Confident | 17 Ų | 17 | 72.1 Ų | 72.1 | 12% | 0.119 | 38% | 0.384 | C | S | . | . | trans | -81.8 | 152.4 | 174.2 | 53.1 | 0 | 0 | 0 | 0 | 112.5 | C798 M799 N800 Y812 C822 | C798-S802 WeakPolarHBondContact CB-OG 3.01Å; M799-S802 WeakPolarHBondContact O-CB 3.3Å; M799-S802 PolarHBondContact O-N 2.74Å; M799-S802 PolarHBondContact O-OG 2.97Å; N800-S802 PolarHBondContact O-N 2.72Å; S802-Y812 WeakPolarHBondContact CB-O 3.23Å; S802-C822 WeakPolarHBondContact OG-CB 3.25Å; S802-C822 PolarHBondContact OG-SG 2.78Å | ||
| 803 | T | 79.5 | Confident | 78.4 | Confident | 99 Ų | 99 | 73.5 Ų | 73.5 | 61% | 0.607 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 155.9 | 179.4 | 53.2 | 0 | 0 | 0 | 0 | 111.4 | C811 Y812 | T803-C811 CarbonylContact O-C 3.56Å; T803-C811 WeakPolarHBondContact O-CA 3.01Å; T803-Y812 PolarHBondContact O-N 2.76Å |
| 804 | C | 82.3 | Confident | 78.1 | Confident | 27 Ų | 27 | 67.4 Ų | 67.4 | 18% | 0.182 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 151.7 | 172.3 | 59.9 | 0 | 0 | 0 | 0 | 112.8 | C796 T810 | C796-C804 HydrophobicContact CB-CB 3.5Å; C796-C804 VanDerWaalsContact CB-CB 3.5Å; C796-C804 WeakPolarHBondContact CB-SG 2.86Å; C796-C804 WeakPolarHBondContact SG-CB 3.25Å; C796-C804 CovalentContact SG-SG 2.03Å; C796-C804 PolarHBondContact SG-SG 2.79Å; C804-T810 WeakPolarHBondContact CA-O 3.36Å |
| 805 | D | 82.4 | Confident | 77.8 | Confident | 39 Ų | 39 | 68.9 Ų | 68.9 | 21% | 0.209 | 39% | 0.388 | C | S | . | . | trans | -65 | 125.9 | 162.6 | -177.3 | -77.4 | 0 | 0 | 0 | 110.2 | V807 T808 G809 T810 Y812 | D805-V807 VanDerWaalsContact C-N 3.27Å; D805-V807 PolarHBondContact O-N 2.84Å; D805-V807 WeakPolarHBondContact OD1-CA 3.4Å; D805-V807 WeakPolarHBondContact OD1-CB 2.88Å; D805-V807 PolarHBondContact OD1-N 3.06Å; D805-T808 WeakPolarHBondContact CB-OG1 3.01Å; D805-T808 PolarHBondContact OD1-N 3.44Å; D805-T808 PolarHBondContact OD1-OG1 3.07Å; D805-G809 VanDerWaalsContact O-CA 3.27Å; D805-G809 WeakPolarHBondContact O-CA 3.45Å; D805-G809 PolarHBondContact O-N 3.09Å; D805-T810 WeakPolarHBondContact CB-OG1 3.43Å; D805-T810 PolarHBondContact N-O 3.43Å; D805-Y812 HydrophobicContact CB-CE2 3.92Å | ||
| 806 | H | 78.6 | Confident | 77.1 | Confident | 41 Ų | 41 | 65 Ų | 65 | 19% | 0.19 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -15.2 | -174.9 | 61.4 | 87.6 | 0 | 0 | 0 | 113.9 | G773 R782 C783 F788 | G773-H806 WeakPolarHBondContact CA-O 3.48Å; G773-H806 PolarHBondContact O-ND1 2.94Å; G773-H806 VanDerWaalsContact O-ND1 3.1Å; R782-H806 PolarHBondContact NH1-NE2 3.16Å; R782-H806 VanDerWaalsContact NH1-NE2 3.18Å; C783-H806 HydrophobicContact CB-CB 4.18Å; F788-H806 VanDerWaalsContact CA-O 3.29Å; F788-H806 WeakPolarHBondContact CA-O 3.01Å; F788-H806 WeakPolarHBondContact CB-O 2.99Å |
| 807 | V | 80.8 | Confident | 76.6 | Confident | 50 Ų | 50 | 68 Ų | 68 | 30% | 0.303 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -46.3 | 177.7 | -175.8 | 0 | 0 | 0 | 0 | 110.9 | D805 | D805-V807 VanDerWaalsContact C-N 3.27Å; D805-V807 PolarHBondContact O-N 2.84Å; D805-V807 WeakPolarHBondContact OD1-CA 3.4Å; D805-V807 WeakPolarHBondContact OD1-CB 2.88Å; D805-V807 PolarHBondContact OD1-N 3.06Å |
| 808 | T | 79.5 | Confident | 76.2 | Confident | 81 Ų | 81 | 68.2 Ų | 68.2 | 50% | 0.497 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -16.4 | -167.4 | 63.5 | 0 | 0 | 0 | 0 | 114.8 | F788 D805 T810 | F788-T808 VanDerWaalsContact CD2-C 3.5Å; D805-T808 WeakPolarHBondContact CB-OG1 3.01Å; D805-T808 PolarHBondContact OD1-N 3.44Å; D805-T808 PolarHBondContact OD1-OG1 3.07Å; T808-T810 VanDerWaalsContact C-N 3.32Å; T808-T810 PolarHBondContact O-N 2.96Å; T808-T810 PolarHBondContact OG1-OG1 3.12Å |
| 809 | G | 76 | Confident | 75.6 | Confident | 14 Ų | 14 | 68.3 Ų | 68.3 | 14% | 0.144 | 39% | 0.394 | C | S | . | . | trans | 80.4 | 2.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | F788 D805 C811 | F788-G809 VanDerWaalsContact CD2-CA 3.42Å; F788-G809 VanDerWaalsContact CD2-N 3.32Å; F788-G809 VanDerWaalsContact CG-CA 3.41Å; D805-G809 VanDerWaalsContact O-CA 3.27Å; D805-G809 WeakPolarHBondContact O-CA 3.45Å; D805-G809 PolarHBondContact O-N 3.09Å; G809-C811 PolarHBondContact O-N 3.27Å | ||
| 810 | T | 80.1 | Confident | 75.3 | Confident | 72 Ų | 72 | 71.2 Ų | 71.2 | 44% | 0.442 | 41% | 0.41 | S | S | . | . | trans | -68.2 | 128.4 | -177.2 | 55.2 | 0 | 0 | 0 | 0 | 112.2 | C804 D805 T808 | C804-T810 WeakPolarHBondContact CA-O 3.36Å; D805-T810 WeakPolarHBondContact CB-OG1 3.43Å; D805-T810 PolarHBondContact N-O 3.43Å; T808-T810 VanDerWaalsContact C-N 3.32Å; T808-T810 PolarHBondContact O-N 2.96Å; T808-T810 PolarHBondContact OG1-OG1 3.12Å | ||
| 811 | C | 82.4 | Confident | 75.6 | Confident | 24 Ų | 24 | 72 Ų | 72 | 16% | 0.162 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 133.3 | 178.9 | -54.9 | 0 | 0 | 0 | 0 | 112.5 | C798 T803 G809 I820 | C798-C811 WeakPolarHBondContact CA-SG 3.42Å; C798-C811 HydrophobicContact CB-CB 3.79Å; C798-C811 WeakPolarHBondContact CB-SG 3.03Å; C798-C811 VanDerWaalsContact SG-CA 3.59Å; C798-C811 WeakPolarHBondContact SG-CB 3.06Å; C798-C811 CovalentContact SG-SG 2.03Å; C798-C811 PolarHBondContact SG-SG 3.3Å; T803-C811 CarbonylContact O-C 3.56Å; T803-C811 WeakPolarHBondContact O-CA 3.01Å; G809-C811 PolarHBondContact O-N 3.27Å; C811-I820 PolarHBondContact SG-O 2.03Å |
| 812 | Y | 79.9 | Confident | 75.8 | Confident | 135 Ų | 135 | 64.2 Ų | 64.2 | 53% | 0.529 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 105.8 | 174.7 | -65.4 | -70.7 | 0 | 0 | 0 | 110.8 | S802 T803 D805 | S802-Y812 WeakPolarHBondContact CB-O 3.23Å; T803-Y812 PolarHBondContact O-N 2.76Å; D805-Y812 HydrophobicContact CB-CE2 3.92Å |
| 813 | C | 76.8 | Confident | 75.7 | Confident | 48 Ų | 48 | 67 Ų | 67 | 32% | 0.324 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -76.8 | 138.1 | -168.1 | -52.2 | 0 | 0 | 0 | 0 | 114.5 | F817 G819 C822 | C813-F817 HydrophobicContact CB-CB 4.47Å; C813-F817 WeakPolarHBondContact CB-O 3.43Å; C813-G819 PolarHBondContact SG-O 2.77Å; C813-C822 WeakPolarHBondContact CA-SG 3.2Å; C813-C822 HydrophobicContact CB-CB 3.64Å; C813-C822 WeakPolarHBondContact CB-SG 3.16Å; C813-C822 PolarHBondContact N-SG 3.45Å; C813-C822 WeakPolarHBondContact SG-CA 3.31Å; C813-C822 WeakPolarHBondContact SG-CB 3.3Å; C813-C822 CovalentContact SG-SG 2.04Å; C813-C822 PolarHBondContact SG-SG 3.04Å |
| 814 | S | 75.6 | Confident | 75.2 | Confident | 43 Ų | 43 | 67 Ų | 67 | 30% | 0.301 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 147.9 | 170.3 | -54.7 | 0 | 0 | 0 | 0 | 111.6 | N800 G816 F817 | N800-S814 PolarHBondContact O-OG 3.01Å; S814-G816 PolarHBondContact O-N 3.34Å; S814-F817 PolarHBondContact O-N 2.99Å; S814-F817 VanDerWaalsContact O-N 3.08Å |
| 815 | P | 72.5 | Confident | 74.1 | Confident | 132 Ų | 132 | 69.5 Ų | 69.5 | 86% | 0.857 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 133.2 | -179.9 | -28.1 | 35.6 | 0 | 0 | 0 | 113.1 | ||
| 816 | G | 65.9 | Low | 72.6 | Confident | 45 Ų | 45 | 70.1 Ų | 70.1 | 46% | 0.464 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.4 | -8.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | S814 A825 A826 | S814-G816 PolarHBondContact O-N 3.34Å; G816-A825 CarbonylContact O-C 3.47Å; G816-A825 WeakPolarHBondContact O-CA 3.45Å; G816-A826 PolarHBondContact O-N 3.37Å |
| 817 | F | 70.7 | Confident | 71 | Confident | 80 Ų | 80 | 76.6 Ų | 76.6 | 35% | 0.351 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 148.2 | 178.4 | -61.9 | -89 | 0 | 0 | 0 | 112.8 | N800 C813 S814 Q824 | N800-F817 HydrophobicContact CB-CD1 4.43Å; N800-F817 HydrophobicContact CB-CE1 4.46Å; N800-F817 HydrophobicContact CB-CG 4.49Å; N800-F817 WeakPolarHBondContact ND2-CD1 3.34Å; N800-F817 WeakPolarHBondContact ND2-CE1 3.42Å; C813-F817 HydrophobicContact CB-CB 4.47Å; C813-F817 WeakPolarHBondContact CB-O 3.43Å; S814-F817 PolarHBondContact O-N 2.99Å; S814-F817 VanDerWaalsContact O-N 3.08Å; F817-Q824 CarbonylContact C-O 3.44Å; F817-Q824 VanDerWaalsContact CA-O 3.3Å; F817-Q824 WeakPolarHBondContact CA-O 3.41Å |
| 818 | K | 68.6 | Low | 69 | Low | 117 Ų | 117 | 83.3 Ų | 83.3 | 51% | 0.509 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 174.7 | 177.7 | 68 | -178.5 | -178.8 | -179.1 | 0 | 111.5 | D823 Q824 A826 | K818-D823 PolarHBondContact O-N 3.01Å; K818-Q824 HydrophobicContact CG-CB 4.01Å; K818-Q824 PolarHBondContact N-O 2.84Å; K818-Q824 WeakPolarHBondContact O-CB 3.47Å; K818-Q824 PolarHBondContact O-N 2.81Å; K818-A826 HydrophobicContact CD-CB 4.42Å |
| 819 | G | 67.6 | Low | 67.1 | Low | 31 Ų | 31 | 88.7 Ų | 88.7 | 32% | 0.32 | 49% | 0.493 | S | S | . | . | S | Bend | trans | 99.9 | 158.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | C813 R821 C822 | C813-G819 PolarHBondContact SG-O 2.77Å; G819-R821 PolarHBondContact O-N 2.73Å; G819-R821 VanDerWaalsContact O-N 3.08Å; G819-C822 PolarHBondContact O-N 2.96Å |
| 820 | I | 68.9 | Low | 65 | Low | 157 Ų | 157 | 96.3 Ų | 96.3 | 81% | 0.805 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -16.8 | -172.6 | 57.7 | 167.7 | 0 | 0 | 0 | 114.5 | C811 | C811-I820 PolarHBondContact SG-O 2.03Š|
| 821 | R | 74.7 | Confident | 62.7 | Low | 96 Ų | 96 | 101 Ų | 101 | 36% | 0.362 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | 11.7 | 174.3 | -69.9 | 176.2 | 61.2 | 165.8 | -0.8 | 112.8 | E797 M799 G819 D823 | E797-R821 VanDerWaalsContact CB-CZ 3.45Å; E797-R821 PolarHBondContact O-NE 2.9Å; E797-R821 PolarHBondContact O-NH2 2.91Å; E797-R821 IonicContact OE2-CZ 2.71Å; E797-R821 IonicContact OE2-NE 3.76Å; E797-R821 IonicContact OE2-NH1 3.16Å; E797-R821 PolarHBondContact OE2-NH1 3.38Å; E797-R821 IonicContact OE2-NH2 3.78Å; M799-R821 WeakPolarHBondContact CB-O 3.18Å; M799-R821 PolarHBondContact N-O 3.08Å; G819-R821 PolarHBondContact O-N 2.73Å; G819-R821 VanDerWaalsContact O-N 3.08Å; R821-D823 VanDerWaalsContact C-N 3.29Å; R821-D823 PolarHBondContact O-N 2.83Å |
| 822 | C | 74.6 | Confident | 60.5 | Low | 0 Ų | 0 | 106.8 Ų | 106.8 | 0% | 0 | 57% | 0.57 | C | S | . | * | S | Bend | trans | 59.9 | 34.5 | 179.2 | -52 | 0 | 0 | 0 | 0 | 114.6 | N800 S802 C813 G819 | N800-C822 PolarHBondContact ND2-O 3.07Å; S802-C822 WeakPolarHBondContact OG-CB 3.25Å; S802-C822 PolarHBondContact OG-SG 2.78Å; C813-C822 WeakPolarHBondContact CA-SG 3.2Å; C813-C822 HydrophobicContact CB-CB 3.64Å; C813-C822 WeakPolarHBondContact CB-SG 3.16Å; C813-C822 PolarHBondContact N-SG 3.45Å; C813-C822 WeakPolarHBondContact SG-CA 3.31Å; C813-C822 WeakPolarHBondContact SG-CB 3.3Å; C813-C822 CovalentContact SG-SG 2.04Å; C813-C822 PolarHBondContact SG-SG 3.04Å; G819-C822 PolarHBondContact O-N 2.96Å |
| 823 | D | 72.4 | Confident | 58.8 | Low | 77 Ų | 77 | 108.5 Ų | 108.5 | 41% | 0.412 | 59% | 0.588 | S | S | . | * | trans | -90.3 | -19.5 | -172.1 | 54.8 | -63.2 | 0 | 0 | 0 | 114.5 | M799 K818 R821 | M799-D823 HydrophobicContact SD-CB 4.47Å; K818-D823 PolarHBondContact O-N 3.01Å; R821-D823 VanDerWaalsContact C-N 3.29Å; R821-D823 PolarHBondContact O-N 2.83Å | ||
| 824 | Q | 68.3 | Low | 57 | Low | 99 Ų | 99 | 111.5 Ų | 111.5 | 46% | 0.463 | 61% | 0.607 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.6 | 125 | -170.2 | -52.4 | 179.9 | 2.2 | 0 | 0 | 112.4 | F817 K818 | F817-Q824 CarbonylContact C-O 3.44Å; F817-Q824 VanDerWaalsContact CA-O 3.3Å; F817-Q824 WeakPolarHBondContact CA-O 3.41Å; K818-Q824 HydrophobicContact CG-CB 4.01Å; K818-Q824 PolarHBondContact N-O 2.84Å; K818-Q824 WeakPolarHBondContact O-CB 3.47Å; K818-Q824 PolarHBondContact O-N 2.81Å |
| 825 | A | 58.8 | Low | 55.3 | Low | 79 Ų | 79 | 120.6 Ų | 120.6 | 65% | 0.653 | 64% | 0.637 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -73.2 | 143.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G816 | G816-A825 CarbonylContact O-C 3.47Å; G816-A825 WeakPolarHBondContact O-CA 3.45Å |
| 826 | A | 52.3 | Low | 53.5 | Low | 51 Ų | 51 | 120 Ų | 120 | 42% | 0.421 | 63% | 0.631 | S | S | . | * | trans | -109.3 | 112.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G816 K818 | G816-A826 PolarHBondContact O-N 3.37Å; K818-A826 HydrophobicContact CD-CB 4.42Å | ||
| 827 | L | 45.2 | Very low | 52.2 | Low | 178 Ų | 178 | 127.5 Ų | 127.5 | 93% | 0.932 | 65% | 0.651 | S | S | * | * | trans | -88.2 | 152.6 | 168.4 | -69.6 | 172.1 | 0 | 0 | 0 | 111 | ||||
| 828 | M | 37.8 | Very low | 50.3 | Low | 191 Ų | 191 | 131.6 Ų | 131.6 | 94% | 0.941 | 67% | 0.674 | S | S | * | * | trans | -85 | 134.1 | -171.2 | -68.1 | 177.4 | 162.5 | 0 | 0 | 113.9 | ||||
| 829 | M | 39 | Very low | 49 | Very low | 193 Ų | 193 | 130.9 Ų | 130.9 | 95% | 0.951 | 68% | 0.684 | S | S | * | * | trans | -159.6 | 170.7 | 140.1 | -118.4 | 178 | 179 | 0 | 0 | 110.8 | ||||
| 830 | E | 32.8 | Very low | 47.9 | Very low | 175 Ų | 175 | 135.5 Ų | 135.5 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | trans | -88.3 | 155.4 | -155 | -146.7 | 104.2 | 150.8 | 0 | 0 | 116.3 | ||||
| 831 | E | 31.5 | Very low | 46 | Very low | 169 Ų | 169 | 132.9 Ų | 132.9 | 79% | 0.79 | 71% | 0.71 | S | S | * | * | trans | 75.2 | 148.4 | 147.3 | -101.9 | -168.9 | 162.6 | 0 | 0 | 124.2 | ||||
| 832 | L | 36.2 | Very low | 44.1 | Very low | 147 Ų | 147 | 137.2 Ų | 137.2 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | trans | 68.1 | 136.7 | 172.6 | -84 | 71.5 | 0 | 0 | 0 | 120.2 | P834 | L832-P834 WeakPolarHBondContact O-CD 3.33Š| ||
| 833 | N | 45.3 | Very low | 42.2 | Very low | 170 Ų | 170 | 140.7 Ų | 140.7 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | trans | -70.3 | 129.3 | -176.4 | -73.6 | -35.4 | 0 | 0 | 0 | 113.9 | ||||
| 834 | P | 39.4 | Very low | 40.4 | Very low | 112 Ų | 112 | 141.9 Ų | 141.9 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -112.6 | 111.8 | 169.3 | 34.8 | -22.9 | 0 | 0 | 0 | 112.5 | L832 | L832-P834 WeakPolarHBondContact O-CD 3.33Š| ||
| 835 | Y | 38.2 | Very low | 38.7 | Very low | 234 Ų | 234 | 144.6 Ų | 144.6 | 92% | 0.918 | 81% | 0.809 | S | S | * | * | trans | -114.7 | 51.9 | 172.8 | -135.1 | -68.7 | 0 | 0 | 0 | 112.3 | ||||
| 836 | T | 35.7 | Very low | 37.8 | Very low | 120 Ų | 120 | 152.3 Ų | 152.3 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | trans | -142 | 108.3 | -179 | 51.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 837 | K | 37.8 | Very low | 37.2 | Very low | 202 Ų | 202 | 157.1 Ų | 157.1 | 88% | 0.878 | 83% | 0.834 | S | S | * | * | trans | 67.5 | 151.7 | 155.9 | -66.3 | -179.9 | 178.1 | 178.7 | 0 | 114.7 | ||||
| 838 | I | 31.6 | Very low | 37.3 | Very low | 165 Ų | 165 | 153.9 Ų | 153.9 | 85% | 0.846 | 83% | 0.826 | S | S | * | * | -138.8 | 144.7 | 53.2 | -73.7 | 155.1 | 0 | 0 | 0 | 112.4 | |||||
| 839 | S | 41 | Very low | 38.2 | Very low | 103 Ų | 103 | 150.1 Ų | 150.1 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | trans | -91.5 | 155.5 | 168.3 | -44.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 840 | P | 43.6 | Very low | 39.2 | Very low | 128 Ų | 128 | 143 Ų | 143 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | -154.9 | 154.3 | 96.1 | 38.7 | -21.6 | 0 | 0 | 0 | 116.7 | |||||
| 841 | A | 30.5 | Very low | 40.5 | Very low | 101 Ų | 101 | 138 Ų | 138 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | -164.3 | 143 | 143 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 842 | L | 34.9 | Very low | 42 | Very low | 187 Ų | 187 | 134.9 Ų | 134.9 | 98% | 0.979 | 77% | 0.771 | S | S | * | * | trans | -92.1 | 118.4 | 174.1 | -79.8 | 152.7 | 0 | 0 | 0 | 110 | ||||
| 843 | G | 35 | Very low | 43.5 | Very low | 73 Ų | 73 | 131 Ų | 131 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | trans | -113.7 | 122.3 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 844 | A | 33.9 | Very low | 44.5 | Very low | 102 Ų | 102 | 124.7 Ų | 124.7 | 84% | 0.843 | 73% | 0.729 | S | S | * | * | trans | -77.9 | 127.6 | -168 | 0 | 0 | 0 | 0 | 0 | 113 | R846 | A844-R846 PolarHBondContact O-N 2.04Š| ||
| 845 | E | 33.5 | Very low | 46.2 | Very low | 156 Ų | 156 | 124.3 Ų | 124.3 | 73% | 0.729 | 72% | 0.72 | S | S | * | * | trans | -66.4 | 132.1 | 160.2 | -76 | -140.1 | 159.4 | 0 | 0 | 110.5 | H847 | E845-H847 IonicContact OE2-CE1 3.92Å; E845-H847 PolarHBondContact OE2-CE1 3.08Å; E845-H847 IonicContact OE2-ND1 3.11Å; E845-H847 PolarHBondContact OE2-ND1 3.39Å; E845-H847 VanDerWaalsContact OE2-ND1 3.15Å | ||
| 846 | R | 38.4 | Very low | 48.1 | Very low | 241 Ų | 241 | 119.1 Ų | 119.1 | 91% | 0.909 | 71% | 0.705 | S | S | * | * | trans | -112.9 | 102 | 156.5 | -81.8 | -172.5 | 170.2 | -168.9 | -1.6 | 108.2 | A844 S848 | A844-R846 PolarHBondContact O-N 2.04Å; R846-S848 PolarHBondContact O-N 3.49Å | ||
| 847 | H | 41.3 | Very low | 50.1 | Low | 152 Ų | 152 | 118.9 Ų | 118.9 | 70% | 0.704 | 70% | 0.699 | S | S | * | * | trans | -58.1 | 122.5 | 166.9 | -57.1 | -42.4 | 0 | 0 | 0 | 109.4 | E845 V849 | E845-H847 IonicContact OE2-CE1 3.92Å; E845-H847 PolarHBondContact OE2-CE1 3.08Å; E845-H847 IonicContact OE2-ND1 3.11Å; E845-H847 PolarHBondContact OE2-ND1 3.39Å; E845-H847 VanDerWaalsContact OE2-ND1 3.15Å; H847-V849 PolarHBondContact O-N 3.43Å | ||
| 848 | S | 46.9 | Very low | 52.1 | Low | 110 Ų | 110 | 114.4 Ų | 114.4 | 77% | 0.769 | 68% | 0.684 | S | S | * | * | trans | -81.5 | 101.8 | 178.3 | -173.9 | 0 | 0 | 0 | 0 | 110.5 | R846 G850 | R846-S848 PolarHBondContact O-N 3.49Å; S848-G850 PolarHBondContact O-N 3.35Å | ||
| 849 | V | 56.7 | Low | 54.6 | Low | 113 Ų | 113 | 110.9 Ų | 110.9 | 69% | 0.685 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | 33.9 | -178.2 | -162 | 0 | 0 | 0 | 0 | 112.2 | H847 T853 | H847-V849 PolarHBondContact O-N 3.43Å; V849-T853 HydrophobicContact CG1-CG2 4.12Å; V849-T853 WeakPolarHBondContact O-CG2 3.21Å; V849-T853 PolarHBondContact O-OG1 3.25Å |
| 850 | G | 59.9 | Low | 56.8 | Low | 44 Ų | 44 | 112.7 Ų | 112.7 | 45% | 0.454 | 66% | 0.661 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.2 | -34.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S848 T853 G854 | S848-G850 PolarHBondContact O-N 3.35Å; G850-T853 WeakPolarHBondContact CA-OG1 3.35Å; G850-T853 PolarHBondContact O-OG1 2.83Å; G850-T853 VanDerWaalsContact O-OG1 3.11Å; G850-G854 PolarHBondContact O-N 2.04Å |
| 851 | A | 58.7 | Low | 58.6 | Low | 68 Ų | 68 | 111.6 Ų | 111.6 | 56% | 0.562 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -73.2 | -47.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G854 I855 | A851-G854 PolarHBondContact O-N 3.31Å; A851-I855 WeakPolarHBondContact O-CG1 3.43Å; A851-I855 PolarHBondContact O-N 2.94Å; A851-I855 VanDerWaalsContact O-N 3.12Å |
| 852 | V | 63.5 | Low | 61.1 | Low | 104 Ų | 104 | 110.4 Ų | 110.4 | 63% | 0.63 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70 | -38 | -176.5 | -175.6 | 0 | 0 | 0 | 0 | 111.6 | I855 M856 | V852-I855 PolarHBondContact O-N 3.28Å; V852-M856 HydrophobicContact CG1-CG 4.5Å; V852-M856 VanDerWaalsContact O-CG 3.28Å; V852-M856 WeakPolarHBondContact O-CG 3.26Å; V852-M856 PolarHBondContact O-N 3.1Å |
| 853 | T | 68.9 | Low | 63.6 | Low | 66 Ų | 66 | 106.2 Ų | 106.2 | 41% | 0.405 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -66.2 | -41.9 | 176.8 | 44.5 | 0 | 0 | 0 | 0 | 111.9 | V849 G850 M856 L857 | V849-T853 HydrophobicContact CG1-CG2 4.12Å; V849-T853 WeakPolarHBondContact O-CG2 3.21Å; V849-T853 PolarHBondContact O-OG1 3.25Å; G850-T853 WeakPolarHBondContact CA-OG1 3.35Å; G850-T853 PolarHBondContact O-OG1 2.83Å; G850-T853 VanDerWaalsContact O-OG1 3.11Å; T853-M856 PolarHBondContact O-N 2.01Å; T853-L857 WeakPolarHBondContact O-CB 3.27Å; T853-L857 WeakPolarHBondContact O-CG 2.98Å; T853-L857 PolarHBondContact O-N 3.48Å |
| 854 | G | 65.1 | Low | 66 | Low | 38 Ų | 38 | 105.7 Ų | 105.7 | 39% | 0.392 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60.5 | -45.6 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | G850 A851 L857 L858 | G850-G854 PolarHBondContact O-N 2.04Å; A851-G854 PolarHBondContact O-N 3.31Å; G854-L857 PolarHBondContact O-N 3.38Å; G854-L858 WeakPolarHBondContact O-CB 3.17Å; G854-L858 PolarHBondContact O-N 2.9Å |
| 855 | I | 75.9 | Confident | 68.3 | Low | 104 Ų | 104 | 106.2 Ų | 106.2 | 53% | 0.533 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.1 | -42.6 | 178 | -67.6 | 165.6 | 0 | 0 | 0 | 111.3 | A851 V852 L858 L859 | A851-I855 WeakPolarHBondContact O-CG1 3.43Å; A851-I855 PolarHBondContact O-N 2.94Å; A851-I855 VanDerWaalsContact O-N 3.12Å; V852-I855 PolarHBondContact O-N 3.28Å; I855-L858 PolarHBondContact O-N 3.1Å; I855-L859 HydrophobicContact CG2-CD1 3.89Å; I855-L859 HydrophobicContact CG2-CG 4.4Å; I855-L859 WeakPolarHBondContact O-CB 3Å; I855-L859 WeakPolarHBondContact O-CG 3.15Å; I855-L859 PolarHBondContact O-N 3.35Å |
| 856 | M | 77.1 | Confident | 70.6 | Confident | 125 Ų | 125 | 103.9 Ų | 103.9 | 62% | 0.616 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.6 | -38.1 | 177.7 | -70.2 | -65.9 | -74.8 | 0 | 0 | 112.6 | V852 T853 F860 | V852-M856 HydrophobicContact CG1-CG 4.5Å; V852-M856 VanDerWaalsContact O-CG 3.28Å; V852-M856 WeakPolarHBondContact O-CG 3.26Å; V852-M856 PolarHBondContact O-N 3.1Å; T853-M856 PolarHBondContact O-N 2.01Å; M856-F860 WeakPolarHBondContact O-CB 3.36Å; M856-F860 PolarHBondContact O-N 3.35Å |
| 857 | L | 79 | Confident | 72.8 | Confident | 114 Ų | 114 | 94.2 Ų | 94.2 | 60% | 0.597 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66.7 | -41.1 | 173.3 | -79.6 | 166.6 | 0 | 0 | 0 | 112.4 | T853 G854 F860 L861 | T853-L857 WeakPolarHBondContact O-CB 3.27Å; T853-L857 WeakPolarHBondContact O-CG 2.98Å; T853-L857 PolarHBondContact O-N 3.48Å; G854-L857 PolarHBondContact O-N 3.38Å; L857-F860 PolarHBondContact O-N 3.11Å; L857-L861 WeakPolarHBondContact O-CG 3.01Å; L857-L861 PolarHBondContact O-N 2.02Å |
| 858 | L | 79.1 | Confident | 74.7 | Confident | 109 Ų | 109 | 91.2 Ų | 91.2 | 57% | 0.571 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63 | -46.1 | 176.6 | -164.5 | 94.6 | 0 | 0 | 0 | 111.3 | G854 I855 L861 I862 | G854-L858 WeakPolarHBondContact O-CB 3.17Å; G854-L858 PolarHBondContact O-N 2.9Å; I855-L858 PolarHBondContact O-N 3.1Å; L858-L861 PolarHBondContact O-N 2.03Å; L858-I862 HydrophobicContact CD2-CD1 4.14Å; L858-I862 HydrophobicContact CG-CD1 4.17Å; L858-I862 VanDerWaalsContact O-CG1 3.29Å; L858-I862 WeakPolarHBondContact O-CG1 3.19Å; L858-I862 PolarHBondContact O-N 3.31Å |
| 859 | L | 83.5 | Confident | 76.1 | Confident | 91 Ų | 91 | 91.4 Ų | 91.4 | 48% | 0.476 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 176.2 | -71.5 | 171.6 | 0 | 0 | 0 | 111.8 | I855 I862 V863 | I855-L859 HydrophobicContact CG2-CD1 3.89Å; I855-L859 HydrophobicContact CG2-CG 4.4Å; I855-L859 WeakPolarHBondContact O-CB 3Å; I855-L859 WeakPolarHBondContact O-CG 3.15Å; I855-L859 PolarHBondContact O-N 3.35Å; L859-I862 PolarHBondContact O-N 2.6Å; L859-V863 WeakPolarHBondContact O-CG2 3.3Å; L859-V863 PolarHBondContact O-N 3.4Å |
| 860 | F | 86.8 | Confident | 76.9 | Confident | 141 Ų | 141 | 88.2 Ų | 88.2 | 62% | 0.618 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.9 | -44.6 | 175.1 | -172.8 | -100.6 | 0 | 0 | 0 | 111.9 | M856 L857 I862 V863 V864 | M856-F860 WeakPolarHBondContact O-CB 3.36Å; M856-F860 PolarHBondContact O-N 3.35Å; L857-F860 PolarHBondContact O-N 3.11Å; F860-I862 PolarHBondContact O-N 3.19Å; F860-V863 PolarHBondContact O-N 2.74Å; F860-V864 HydrophobicContact CD1-CG2 4.2Å; F860-V864 HydrophobicContact CE1-CG2 3.9Å; F860-V864 HydrophobicContact CZ-CG2 4.16Å; F860-V864 WeakPolarHBondContact O-CG2 3.28Å; F860-V864 PolarHBondContact O-N 2.87Å |
| 861 | L | 82.6 | Confident | 77.6 | Confident | 104 Ų | 104 | 93 Ų | 93 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 174.4 | -78.4 | 167.2 | 0 | 0 | 0 | 112.3 | L857 L858 V864 L865 | L857-L861 WeakPolarHBondContact O-CG 3.01Å; L857-L861 PolarHBondContact O-N 2.02Å; L858-L861 PolarHBondContact O-N 2.03Å; L861-V864 PolarHBondContact O-N 3.47Å; L861-L865 WeakPolarHBondContact O-CB 3.29Å; L861-L865 VanDerWaalsContact O-CG 3.3Å; L861-L865 WeakPolarHBondContact O-CG 3.33Å; L861-L865 PolarHBondContact O-N 2.89Å |
| 862 | I | 83.3 | Confident | 78.1 | Confident | 76 Ų | 76 | 95 Ų | 95 | 39% | 0.39 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 175.8 | -70 | 164 | 0 | 0 | 0 | 110.8 | L858 L859 F860 L865 L866 | L858-I862 HydrophobicContact CD2-CD1 4.14Å; L858-I862 HydrophobicContact CG-CD1 4.17Å; L858-I862 VanDerWaalsContact O-CG1 3.29Å; L858-I862 WeakPolarHBondContact O-CG1 3.19Å; L858-I862 PolarHBondContact O-N 3.31Å; L859-I862 PolarHBondContact O-N 2.6Å; F860-I862 PolarHBondContact O-N 3.19Å; I862-L865 PolarHBondContact O-N 3.41Å; I862-L866 HydrophobicContact CG2-CD1 3.85Å; I862-L866 HydrophobicContact CG2-CG 4.41Å; I862-L866 WeakPolarHBondContact O-CB 3.28Å; I862-L866 VanDerWaalsContact O-CG 3.27Å; I862-L866 WeakPolarHBondContact O-CG 3.13Å; I862-L866 PolarHBondContact O-N 3.17Å |
| 863 | V | 85.9 | Confident | 78.4 | Confident | 99 Ų | 99 | 97.7 Ų | 97.7 | 60% | 0.6 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.8 | -40.3 | 176.4 | 170 | 0 | 0 | 0 | 0 | 111.8 | L859 F860 G867 | L859-V863 WeakPolarHBondContact O-CG2 3.3Å; L859-V863 PolarHBondContact O-N 3.4Å; F860-V863 PolarHBondContact O-N 2.74Å; V863-G867 PolarHBondContact O-N 3.32Å |
| 864 | V | 86.1 | Confident | 78 | Confident | 63 Ų | 63 | 103.8 Ų | 103.8 | 38% | 0.382 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.8 | -44.4 | 175 | 169.7 | 0 | 0 | 0 | 0 | 111.3 | F860 L861 G867 L868 | F860-V864 HydrophobicContact CD1-CG2 4.2Å; F860-V864 HydrophobicContact CE1-CG2 3.9Å; F860-V864 HydrophobicContact CZ-CG2 4.16Å; F860-V864 WeakPolarHBondContact O-CG2 3.28Å; F860-V864 PolarHBondContact O-N 2.87Å; L861-V864 PolarHBondContact O-N 3.47Å; V864-G867 PolarHBondContact O-N 3.03Å; V864-L868 HydrophobicContact CG1-CD1 4.13Å; V864-L868 WeakPolarHBondContact O-CG 3.1Å; V864-L868 PolarHBondContact O-N 2.03Å |
| 865 | L | 81.6 | Confident | 77.9 | Confident | 112 Ų | 112 | 110.1 Ų | 110.1 | 59% | 0.586 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.2 | -41.4 | 177.5 | -73.3 | 168.3 | 0 | 0 | 0 | 112.2 | L861 I862 G867 L868 F869 | L861-L865 WeakPolarHBondContact O-CB 3.29Å; L861-L865 VanDerWaalsContact O-CG 3.3Å; L861-L865 WeakPolarHBondContact O-CG 3.33Å; L861-L865 PolarHBondContact O-N 2.89Å; I862-L865 PolarHBondContact O-N 3.41Å; L865-G867 VanDerWaalsContact C-N 3.32Å; L865-L868 PolarHBondContact O-N 2.85Å; L865-F869 WeakPolarHBondContact O-CB 2.95Å; L865-F869 PolarHBondContact O-N 3.29Å |
| 866 | L | 82.9 | Confident | 77 | Confident | 107 Ų | 107 | 111.6 Ų | 111.6 | 56% | 0.56 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.5 | -35.8 | 172.7 | -71.6 | 171.5 | 0 | 0 | 0 | 111.8 | I862 F869 A870 | I862-L866 HydrophobicContact CG2-CD1 3.85Å; I862-L866 HydrophobicContact CG2-CG 4.41Å; I862-L866 WeakPolarHBondContact O-CB 3.28Å; I862-L866 VanDerWaalsContact O-CG 3.27Å; I862-L866 WeakPolarHBondContact O-CG 3.13Å; I862-L866 PolarHBondContact O-N 3.17Å; L866-F869 PolarHBondContact O-N 3.24Å; L866-A870 VanDerWaalsContact O-CB 3.23Å; L866-A870 WeakPolarHBondContact O-CB 3.35Å; L866-A870 PolarHBondContact O-N 3.32Å |
| 867 | G | 84.8 | Confident | 75.6 | Confident | 39 Ų | 39 | 114.4 Ų | 114.4 | 40% | 0.402 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V863 V864 L865 A870 W871 | V863-G867 PolarHBondContact O-N 3.32Å; V864-G867 PolarHBondContact O-N 3.03Å; L865-G867 VanDerWaalsContact C-N 3.32Å; G867-A870 PolarHBondContact O-N 2.83Å; G867-W871 WeakPolarHBondContact O-CB 3.03Å; G867-W871 PolarHBondContact O-N 3.1Å |
| 868 | L | 80.4 | Confident | 74.2 | Confident | 89 Ų | 89 | 117.1 Ų | 117.1 | 47% | 0.466 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.1 | -42.2 | 174.8 | -71.6 | 170.6 | 0 | 0 | 0 | 111.8 | V864 L865 W871 H872 | V864-L868 HydrophobicContact CG1-CD1 4.13Å; V864-L868 WeakPolarHBondContact O-CG 3.1Å; V864-L868 PolarHBondContact O-N 2.03Å; L865-L868 PolarHBondContact O-N 2.85Å; L868-W871 HydrophobicContact CD2-CE3 4.06Å; L868-W871 HydrophobicContact CD2-CZ3 4.4Å; L868-W871 PolarHBondContact O-N 3.2Å; L868-H872 WeakPolarHBondContact O-CB 3.14Å; L868-H872 PolarHBondContact O-N 3.07Å |
| 869 | F | 75.8 | Confident | 72.8 | Confident | 113 Ų | 113 | 121.5 Ų | 121.5 | 50% | 0.496 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.6 | -39.6 | 175.5 | -171.6 | -109.4 | 0 | 0 | 0 | 112 | L865 L866 R873 | L865-F869 WeakPolarHBondContact O-CB 2.95Å; L865-F869 PolarHBondContact O-N 3.29Å; L866-F869 PolarHBondContact O-N 3.24Å; F869-R873 VanDerWaalsContact CE1-NE 3.3Å; F869-R873 WeakPolarHBondContact O-CB 2.93Å; F869-R873 WeakPolarHBondContact O-CG 3.49Å; F869-R873 PolarHBondContact O-N 2.96Å |
| 870 | A | 74.9 | Confident | 70.8 | Confident | 46 Ų | 46 | 121 Ų | 121 | 38% | 0.38 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.5 | -37.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L866 G867 R873 R874 | L866-A870 VanDerWaalsContact O-CB 3.23Å; L866-A870 WeakPolarHBondContact O-CB 3.35Å; L866-A870 PolarHBondContact O-N 3.32Å; G867-A870 PolarHBondContact O-N 2.83Å; A870-R873 PolarHBondContact O-N 3.03Å; A870-R874 WeakPolarHBondContact O-CG 3.13Å; A870-R874 PolarHBondContact O-N 3.25Å |
| 871 | W | 74.2 | Confident | 68.4 | Low | 145 Ų | 145 | 125.3 Ų | 125.3 | 55% | 0.549 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.7 | -43.2 | 174.4 | -177.3 | 50.5 | 0 | 0 | 0 | 111.8 | G867 L868 R874 R875 | G867-W871 WeakPolarHBondContact O-CB 3.03Å; G867-W871 PolarHBondContact O-N 3.1Å; L868-W871 HydrophobicContact CD2-CE3 4.06Å; L868-W871 HydrophobicContact CD2-CZ3 4.4Å; L868-W871 PolarHBondContact O-N 3.2Å; W871-R874 WeakPolarHBondContact O-CB 3.29Å; W871-R874 PolarHBondContact O-N 2.93Å; W871-R874 VanDerWaalsContact O-N 3.13Å; W871-R875 PolarHBondContact O-N 3.09Å |
| 872 | H | 69.8 | Low | 66.1 | Low | 110 Ų | 110 | 127 Ų | 127 | 51% | 0.509 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -61.4 | -45 | 173.8 | -161.7 | -85.2 | 0 | 0 | 0 | 111.6 | L868 R874 R875 Q876 | L868-H872 WeakPolarHBondContact O-CB 3.14Å; L868-H872 PolarHBondContact O-N 3.07Å; H872-R874 VanDerWaalsContact C-N 3.29Å; H872-R874 PolarHBondContact O-N 3.42Å; H872-R875 PolarHBondContact O-N 3.46Å; H872-Q876 PolarHBondContact O-N 3.3Å |
| 873 | R | 68.2 | Low | 63.8 | Low | 161 Ų | 161 | 131 Ų | 131 | 61% | 0.608 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -67 | -22.4 | 173.5 | -78.1 | -173.3 | 167.9 | -157.4 | -3.1 | 114.2 | F869 A870 | F869-R873 VanDerWaalsContact CE1-NE 3.3Å; F869-R873 WeakPolarHBondContact O-CB 2.93Å; F869-R873 WeakPolarHBondContact O-CG 3.49Å; F869-R873 PolarHBondContact O-N 2.96Å; A870-R873 PolarHBondContact O-N 3.03Å |
| 874 | R | 62 | Low | 61.3 | Low | 194 Ų | 194 | 130 Ų | 130 | 73% | 0.732 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -75.5 | -47.3 | 168.5 | -76.5 | -179.8 | -172.2 | -152 | 4.5 | 110.9 | A870 W871 H872 Q876 K877 | A870-R874 WeakPolarHBondContact O-CG 3.13Å; A870-R874 PolarHBondContact O-N 3.25Å; W871-R874 WeakPolarHBondContact O-CB 3.29Å; W871-R874 PolarHBondContact O-N 2.93Å; W871-R874 VanDerWaalsContact O-N 3.13Å; H872-R874 VanDerWaalsContact C-N 3.29Å; H872-R874 PolarHBondContact O-N 3.42Å; R874-Q876 VanDerWaalsContact C-N 3.34Å; R874-Q876 PolarHBondContact O-N 2.96Å; R874-K877 WeakPolarHBondContact O-CB 3.48Å; R874-K877 PolarHBondContact O-N 2.03Å |
| 875 | R | 61.1 | Low | 59.2 | Low | 170 Ų | 170 | 132.7 Ų | 132.7 | 64% | 0.642 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -59 | -38.5 | 176.7 | -93.8 | -172.6 | 164.8 | -170.4 | -2.8 | 113.6 | W871 H872 K877 | W871-R875 PolarHBondContact O-N 3.09Å; H872-R875 PolarHBondContact O-N 3.46Å; R875-K877 PolarHBondContact O-N 2.91Å |
| 876 | Q | 56.9 | Low | 56.5 | Low | 136 Ų | 136 | 138.1 Ų | 138.1 | 64% | 0.636 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -72.3 | -7.9 | 175.2 | -76.1 | -173 | -39.5 | 0 | 0 | 114.1 | H872 R874 | H872-Q876 PolarHBondContact O-N 3.3Å; R874-Q876 VanDerWaalsContact C-N 3.34Å; R874-Q876 PolarHBondContact O-N 2.96Å |
| 877 | K | 49.4 | Very low | 54 | Low | 183 Ų | 183 | 139.8 Ų | 139.8 | 80% | 0.796 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -90.2 | -2.2 | -173.8 | -127.5 | 178 | -178 | -177.2 | 0 | 115.2 | R874 R875 | R874-K877 WeakPolarHBondContact O-CB 3.48Å; R874-K877 PolarHBondContact O-N 2.03Å; R875-K877 PolarHBondContact O-N 2.91Å |
| 878 | E | 48.5 | Very low | 51.2 | Low | 172 Ų | 172 | 142 Ų | 142 | 80% | 0.804 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -97.3 | -2.5 | -178.4 | -66.3 | -177.9 | 154.1 | 0 | 0 | 114 | ||
| 879 | K | 49.5 | Very low | 48.8 | Very low | 200 Ų | 200 | 148.5 Ų | 148.5 | 87% | 0.87 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -137 | 95.5 | 179.2 | -63.6 | -173.1 | 179.3 | -174.2 | 0 | 110.9 | ||
| 880 | G | 42 | Very low | 46.7 | Very low | 80 Ų | 80 | 149 Ų | 149 | 83% | 0.825 | 72% | 0.723 | S | S | * | * | trans | 150.3 | 50.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 881 | R | 36.2 | Very low | 45 | Very low | 233 Ų | 233 | 152.5 Ų | 152.5 | 88% | 0.879 | 74% | 0.742 | S | S | * | * | trans | -128.7 | 136.1 | 157.2 | -86.5 | 177.1 | 165 | 158 | -10.1 | 104 | ||||
| 882 | D | 35.7 | Very low | 42.7 | Very low | 139 Ų | 139 | 149.7 Ų | 149.7 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | cis | -143.5 | -178.7 | 34.8 | -72.5 | -58.4 | 0 | 0 | 0 | 111 | ||||
| 883 | L | 34.4 | Very low | 40.7 | Very low | 159 Ų | 159 | 153.3 Ų | 153.3 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | cis | -147.7 | 170.5 | 0.5 | -153.7 | 68.1 | 0 | 0 | 0 | 109.3 | ||||
| 884 | A | 33.2 | Very low | 38.8 | Very low | 79 Ų | 79 | 156.7 Ų | 156.7 | 65% | 0.653 | 78% | 0.782 | S | S | * | * | trans | -134 | 164.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 885 | P | 41.4 | Very low | 37.1 | Very low | 119 Ų | 119 | 155.2 Ų | 155.2 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | -137.2 | 150.6 | 101.9 | 38.9 | -27.3 | 0 | 0 | 0 | 112.5 | |||||
| 886 | R | 25.3 | Very low | 35.3 | Very low | 227 Ų | 227 | 153.5 Ų | 153.5 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | 60 | 133 | 60.4 | -75.4 | -174.7 | 163.7 | -168.3 | -6.7 | 112.5 | |||||
| 887 | V | 29.6 | Very low | 34 | Very low | 142 Ų | 142 | 151.9 Ų | 151.9 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | cis | -128.2 | 163.4 | 45.3 | 176.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 888 | S | 26.4 | Very low | 33.1 | Very low | 85 Ų | 85 | 148.5 Ų | 148.5 | 59% | 0.594 | 79% | 0.792 | S | S | * | * | trans | -75.5 | 155.7 | -175.8 | -34.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 889 | Y | 29.7 | Very low | 32 | Very low | 225 Ų | 225 | 146.2 Ų | 146.2 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | -158.1 | 161.8 | 104.7 | -105.9 | -76.4 | 0 | 0 | 0 | 110.7 | |||||
| 890 | T | 31.3 | Very low | 30.9 | Very low | 123 Ų | 123 | 146 Ų | 146 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -143.1 | 174.5 | -176.1 | 56.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 891 | P | 39.8 | Very low | 30 | Very low | 121 Ų | 121 | 146.6 Ų | 146.6 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | cis | -129.7 | -168.7 | -10.1 | 28.7 | -6.1 | 0 | 0 | 0 | 113.7 | ||||
| 892 | A | 25.9 | Very low | 29.5 | Very low | 86 Ų | 86 | 143.5 Ų | 143.5 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | 112.5 | 124.2 | 138.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 893 | M | 28.4 | Very low | 29 | Very low | 185 Ų | 185 | 142.6 Ų | 142.6 | 91% | 0.911 | 78% | 0.777 | S | S | * | * | trans | 46.3 | 105.1 | 140.6 | -61.1 | 177.7 | -179.7 | 0 | 0 | 120.5 | ||||
| 894 | R | 28.9 | Very low | 28.5 | Very low | 232 Ų | 232 | 142.1 Ų | 142.1 | 88% | 0.875 | 78% | 0.775 | S | S | * | * | trans | -140.5 | 149.9 | 134.9 | -71.8 | -166.3 | 176.1 | 156.1 | 1.1 | 108.6 | ||||
| 895 | M | 26 | Very low | 28.1 | Very low | 164 Ų | 164 | 145.5 Ų | 145.5 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | cis | -144.1 | 136.2 | 2.1 | -139.4 | 145.8 | 171.7 | 0 | 0 | 110.5 | ||||
| 896 | T | 23.3 | Very low | 27.5 | Very low | 133 Ų | 133 | 144.9 Ų | 144.9 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | trans | -90.9 | 173.4 | 162.7 | 47.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 897 | S | 30 | Very low | 27.4 | Very low | 102 Ų | 102 | 143.2 Ų | 143.2 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | trans | -62.1 | -173.3 | 164.4 | -165.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 898 | T | 29.8 | Very low | 27.2 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 69% | 0.687 | 78% | 0.775 | S | S | * | * | trans | 74.2 | 151.2 | 170.2 | 67.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 899 | D | 26.1 | Very low | 27.1 | Very low | 125 Ų | 125 | 142.6 Ų | 142.6 | 67% | 0.668 | 78% | 0.784 | S | S | * | * | cis | -168.7 | 178.1 | -10.3 | -103.3 | -13.7 | 0 | 0 | 0 | 109 | ||||
| 900 | Y | 24.4 | Very low | 27 | Very low | 195 Ų | 195 | 137.5 Ų | 137.5 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | cis | -153.7 | 172 | 0.2 | -135.2 | -71.6 | 0 | 0 | 0 | 110.1 | ||||
| 901 | S | 23.7 | Very low | 26.8 | Very low | 93 Ų | 93 | 139.1 Ų | 139.1 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | trans | 72.9 | 111.9 | 139.1 | 65.9 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 902 | L | 25 | Very low | 26.2 | Very low | 168 Ų | 168 | 138.2 Ų | 138.2 | 88% | 0.88 | 78% | 0.782 | S | S | * | * | 47.5 | 122 | 125.5 | -67.6 | 168.3 | 0 | 0 | 0 | 122.1 | |||||
| 903 | S | 25.8 | Very low | 26.2 | Very low | 119 Ų | 119 | 142.7 Ų | 142.7 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | -169.6 | 115.8 | 119.8 | -77.2 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 904 | D | 23.4 | Very low | 26 | Very low | 149 Ų | 149 | 140 Ų | 140 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | 55.8 | 149.4 | 142.9 | -92.2 | -45.4 | 0 | 0 | 0 | 126.8 | ||||
| 905 | L | 25.1 | Very low | 25.8 | Very low | 150 Ų | 150 | 138.3 Ų | 138.3 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | 75.3 | 136.3 | 164 | -91.3 | 73.7 | 0 | 0 | 0 | 122.4 | ||||
| 906 | S | 29.6 | Very low | 25.7 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | 54.5 | 103.8 | 173.8 | 47.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 907 | Q | 23.4 | Very low | 25.8 | Very low | 191 Ų | 191 | 136.5 Ų | 136.5 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | cis | 64.5 | 127.8 | 44.2 | -52.8 | -173.7 | -8.3 | 0 | 0 | 113.9 | ||||
| 908 | S | 24.2 | Very low | 25.8 | Very low | 103 Ų | 103 | 136 Ų | 136 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | cis | -158 | 158 | 5.8 | 55.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 909 | S | 25.7 | Very low | 25.8 | Very low | 112 Ų | 112 | 135.2 Ų | 135.2 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | trans | 63.8 | 141.8 | 152 | 51.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 910 | S | 27.3 | Very low | 26.1 | Very low | 117 Ų | 117 | 138.8 Ų | 138.8 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | cis | -155.7 | 161.2 | 4.2 | 46.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 911 | H | 27.1 | Very low | 26.3 | Very low | 158 Ų | 158 | 137.9 Ų | 137.9 | 73% | 0.731 | 79% | 0.785 | S | S | * | * | trans | -70.6 | 157.6 | 178.1 | -80.3 | -128.5 | 0 | 0 | 0 | 115.9 | H913 | H911-H913 AromaticContact CE1-NE2 3.64Å; H911-H913 AromaticContact ND1-NE2 3.08Å; H911-H913 PolarHBondContact ND1-NE2 3.1Å | ||
| 912 | A | 26.3 | Very low | 26.5 | Very low | 101 Ų | 101 | 138.1 Ų | 138.1 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | -157.8 | 165.7 | 128.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 913 | H | 27.3 | Very low | 26.7 | Very low | 181 Ų | 181 | 137.8 Ų | 137.8 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | trans | -125.1 | 177 | -168.8 | -69 | -104.1 | 0 | 0 | 0 | 114.2 | H911 | H911-H913 AromaticContact CE1-NE2 3.64Å; H911-H913 AromaticContact ND1-NE2 3.08Å; H911-H913 PolarHBondContact ND1-NE2 3.1Å | ||
| 914 | C | 23.5 | Very low | 26.6 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 86% | 0.858 | 79% | 0.789 | S | S | * | * | trans | 98.1 | 171.6 | 153.9 | -61.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 915 | F | 23.6 | Very low | 26.6 | Very low | 198 Ų | 198 | 136 Ų | 136 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | trans | -116 | 159.4 | -142.5 | -92.3 | -102 | 0 | 0 | 0 | 116.6 | ||||
| 916 | S | 24.9 | Very low | 26.6 | Very low | 101 Ų | 101 | 132.7 Ų | 132.7 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | 51.9 | 99.7 | 142.5 | 67.9 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 917 | N | 25.5 | Very low | 27 | Very low | 157 Ų | 157 | 131.3 Ų | 131.3 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | 64.4 | 124.9 | 111.9 | -159.1 | 28.9 | 0 | 0 | 0 | 124.4 | |||||
| 918 | S | 29.4 | Very low | 27.8 | Very low | 92 Ų | 92 | 128.5 Ų | 128.5 | 64% | 0.643 | 80% | 0.798 | S | S | * | * | trans | 107.5 | 142.2 | 136.9 | -155.9 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 919 | S | 31.3 | Very low | 27.9 | Very low | 95 Ų | 95 | 127.6 Ų | 127.6 | 66% | 0.664 | 80% | 0.797 | S | S | * | * | trans | 74.9 | 111.9 | 157.8 | 41.1 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 920 | Y | 30.6 | Very low | 27.8 | Very low | 201 Ų | 201 | 129 Ų | 129 | 79% | 0.788 | 80% | 0.8 | S | S | * | * | trans | 31.2 | 141.9 | 132.3 | -55.1 | -72.7 | 0 | 0 | 0 | 121.3 | ||||
| 921 | H | 29.9 | Very low | 27.8 | Very low | 175 Ų | 175 | 128.1 Ų | 128.1 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | cis | -157.9 | -179.6 | 12.3 | -118.8 | -53.2 | 0 | 0 | 0 | 111.2 | ||||
| 922 | A | 28.5 | Very low | 27.8 | Very low | 99 Ų | 99 | 129.5 Ų | 129.5 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | 91.2 | 155.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 923 | L | 27.3 | Very low | 27.7 | Very low | 160 Ų | 160 | 128.5 Ų | 128.5 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | -109.6 | 139.3 | -162.6 | -68.7 | 157 | 0 | 0 | 0 | 113.2 | ||||
| 924 | A | 23.8 | Very low | 27.7 | Very low | 94 Ų | 94 | 124.9 Ų | 124.9 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | 167 | 123.6 | 117.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 925 | C | 23.8 | Very low | 27.9 | Very low | 137 Ų | 137 | 124.5 Ų | 124.5 | 93% | 0.926 | 78% | 0.782 | S | S | * | * | trans | 37.2 | 115 | 145.7 | -54.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 926 | G | 25.9 | Very low | 28.1 | Very low | 81 Ų | 81 | 122 Ų | 122 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | 116.6 | 77.5 | 113.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 927 | G | 37.3 | Very low | 28.2 | Very low | 78 Ų | 78 | 122.4 Ų | 122.4 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | 66.4 | -160 | 164.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 928 | P | 40.3 | Very low | 28.2 | Very low | 131 Ų | 131 | 124.5 Ų | 124.5 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | cis | -122.3 | -142.6 | -9.4 | 45.9 | -31.1 | 0 | 0 | 0 | 109.3 | ||||
| 929 | A | 26.9 | Very low | 28.1 | Very low | 84 Ų | 84 | 127 Ų | 127 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | cis | -159.7 | 130.2 | -10.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 930 | T | 24.3 | Very low | 27.8 | Very low | 141 Ų | 141 | 127.5 Ų | 127.5 | 87% | 0.865 | 78% | 0.777 | S | S | * | * | trans | -152 | 140.6 | 150.2 | 32.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 931 | S | 26.6 | Very low | 29.1 | Very low | 99 Ų | 99 | 122.9 Ų | 122.9 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | cis | -164.5 | 143.7 | -26.1 | 47.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 932 | Q | 26.2 | Very low | 29 | Very low | 188 Ų | 188 | 120.6 Ų | 120.6 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | trans | 179.6 | 144.2 | 135.1 | -102.1 | 173.9 | 39.7 | 0 | 0 | 113.9 | ||||
| 933 | A | 26 | Very low | 29 | Very low | 79 Ų | 79 | 124.8 Ų | 124.8 | 65% | 0.653 | 77% | 0.77 | S | S | * | * | trans | 55.7 | 109 | 144.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 934 | S | 27.1 | Very low | 29 | Very low | 105 Ų | 105 | 124.4 Ų | 124.4 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | 52 | 140.6 | 123.3 | 66.4 | 0 | 0 | 0 | 0 | 122 | |||||
| 935 | T | 26.2 | Very low | 29.3 | Very low | 120 Ų | 120 | 124.3 Ų | 124.3 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | cis | -171.8 | 163.3 | -7.3 | 20.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 936 | L | 27.8 | Very low | 29.6 | Very low | 146 Ų | 146 | 124.1 Ų | 124.1 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | trans | 73.3 | 117 | 151.4 | -76.8 | 158.8 | 0 | 0 | 0 | 120.7 | ||||
| 937 | D | 26.7 | Very low | 29.8 | Very low | 109 Ų | 109 | 128.8 Ų | 128.8 | 58% | 0.583 | 75% | 0.749 | S | S | * | * | trans | 69.8 | 97.3 | 131.4 | -85.5 | 23.9 | 0 | 0 | 0 | 124.1 | ||||
| 938 | R | 27.3 | Very low | 29.3 | Very low | 200 Ų | 200 | 128.9 Ų | 128.9 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | 85.3 | 141.5 | 95.6 | -168.9 | 169.5 | 94.3 | -153.7 | 15.8 | 120.4 | |||||
| 939 | N | 26.2 | Very low | 28.8 | Very low | 146 Ų | 146 | 129.7 Ų | 129.7 | 78% | 0.781 | 73% | 0.733 | S | S | * | * | trans | 83.5 | 131.7 | 164.7 | -77.4 | -1 | 0 | 0 | 0 | 120.7 | ||||
| 940 | S | 26.1 | Very low | 28.7 | Very low | 105 Ų | 105 | 130.9 Ų | 130.9 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | trans | -100.1 | -168.4 | 156.4 | 63.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 941 | P | 57.7 | Low | 28.9 | Very low | 103 Ų | 103 | 133.5 Ų | 133.5 | 67% | 0.669 | 72% | 0.722 | S | S | * | * | cis | -123.9 | -175 | -27.2 | 31.4 | -12.5 | 0 | 0 | 0 | 111.7 | ||||
| 942 | T | 28.1 | Very low | 29.1 | Very low | 128 Ų | 128 | 133.6 Ų | 133.6 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | 163.5 | 140.9 | 121.3 | 39.7 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 943 | K | 27.8 | Very low | 29.2 | Very low | 187 Ų | 187 | 130.2 Ų | 130.2 | 81% | 0.813 | 71% | 0.707 | S | S | * | * | trans | 25.2 | 149.8 | 141.5 | -72.9 | -178.7 | 168.9 | -178.6 | 0 | 124.4 | ||||
| 944 | L | 26.8 | Very low | 29.6 | Very low | 152 Ų | 152 | 131.5 Ų | 131.5 | 80% | 0.796 | 72% | 0.718 | S | S | * | * | trans | 105.4 | 87.6 | 133.8 | -119.9 | 76.7 | 0 | 0 | 0 | 120.7 | ||||
| 945 | S | 29.5 | Very low | 29.9 | Very low | 92 Ų | 92 | 129.3 Ų | 129.3 | 64% | 0.643 | 71% | 0.711 | S | S | * | * | 65.7 | 137.8 | 109 | -155.5 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 946 | N | 31.5 | Very low | 30.2 | Very low | 133 Ų | 133 | 135.9 Ų | 135.9 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | trans | 103.7 | 125.9 | 130.6 | -103.1 | -12.6 | 0 | 0 | 0 | 121.5 | ||||
| 947 | K | 29.6 | Very low | 30.3 | Very low | 179 Ų | 179 | 134.9 Ų | 134.9 | 78% | 0.778 | 72% | 0.723 | S | S | * | * | trans | 72.1 | 157.2 | 139.4 | -76.8 | -171.6 | 176.6 | -171 | 0 | 120.2 | ||||
| 948 | S | 26.7 | Very low | 30.5 | Very low | 79 Ų | 79 | 134.5 Ų | 134.5 | 55% | 0.552 | 73% | 0.726 | S | S | * | * | cis | 171.6 | 167.4 | -31.2 | 55.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 949 | L | 29.3 | Very low | 30.4 | Very low | 148 Ų | 148 | 135.5 Ų | 135.5 | 78% | 0.775 | 73% | 0.732 | S | S | * | * | trans | 69.5 | 154.5 | 163.9 | -89.1 | 70.5 | 0 | 0 | 0 | 115.5 | ||||
| 950 | D | 26.4 | Very low | 30.4 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 59% | 0.588 | 73% | 0.728 | S | S | * | * | cis | -177.4 | 147.7 | -31 | -117.9 | 2.7 | 0 | 0 | 0 | 109.5 | ||||
| 951 | R | 28.5 | Very low | 30.3 | Very low | 195 Ų | 195 | 137.3 Ų | 137.3 | 74% | 0.736 | 73% | 0.728 | S | S | * | * | trans | 59.3 | 166.3 | 135.2 | -66.1 | 167.3 | 64.9 | -154.3 | -10 | 119.8 | ||||
| 952 | D | 28.7 | Very low | 28.6 | Very low | 102 Ų | 102 | 136.9 Ų | 136.9 | 55% | 0.545 | 72% | 0.724 | S | S | . | * | cis | -153.2 | 157 | -2.5 | -128 | -19.4 | 0 | 0 | 0 | 115.3 | ||||
| 953 | T | 29.1 | Very low | 28.4 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 71% | 0.712 | 72% | 0.724 | S | S | * | * | trans | 25 | 130.1 | 136.3 | -51.5 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 954 | A | 35.3 | Very low | 28.1 | Very low | 107 Ų | 107 | 134.3 Ų | 134.3 | 88% | 0.884 | 72% | 0.718 | S | S | * | * | -160.3 | 132 | 127.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 955 | G | 33.5 | Very low | 28 | Very low | 58 Ų | 58 | 133.3 Ų | 133.3 | 60% | 0.598 | 71% | 0.713 | S | S | * | * | cis | -175.8 | -164.9 | -3.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 956 | W | 32 | Very low | 27.8 | Very low | 258 Ų | 258 | 135.1 Ų | 135.1 | 98% | 0.977 | 72% | 0.715 | S | S | * | * | trans | 76.5 | 80.6 | 179.9 | -64.4 | 83.8 | 0 | 0 | 0 | 117.5 | ||||
| 957 | T | 30.4 | Very low | 27.5 | Very low | 125 Ų | 125 | 133.3 Ų | 133.3 | 77% | 0.767 | 71% | 0.713 | S | S | * | * | trans | -67 | 177.1 | 150.1 | 46.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 958 | P | 29.5 | Very low | 27.3 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 66% | 0.656 | 70% | 0.703 | S | S | * | * | cis | -147.8 | 150.7 | 24.6 | 40 | -17.9 | 0 | 0 | 0 | 120.7 | ||||
| 959 | Y | 24.8 | Very low | 27.4 | Very low | 221 Ų | 221 | 137 Ų | 137 | 87% | 0.867 | 72% | 0.721 | S | S | * | * | trans | 64.5 | 164.5 | 152.5 | -74.2 | -135.5 | 0 | 0 | 0 | 116 | ||||
| 960 | S | 27.4 | Very low | 27.2 | Very low | 100 Ų | 100 | 136.2 Ų | 136.2 | 70% | 0.699 | 71% | 0.713 | S | S | * | * | cis | -109.4 | 142.4 | -12.4 | 63.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 961 | Y | 24.2 | Very low | 27.2 | Very low | 189 Ų | 189 | 137.3 Ų | 137.3 | 74% | 0.741 | 72% | 0.718 | S | S | * | * | 45.2 | 99 | 78.1 | -103.7 | -113 | 0 | 0 | 0 | 111.5 | |||||
| 962 | V | 21.6 | Very low | 27.1 | Very low | 94 Ų | 94 | 133.3 Ų | 133.3 | 57% | 0.57 | 72% | 0.719 | S | S | * | * | 86.3 | 133.2 | 77.3 | 156.5 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 963 | N | 22.8 | Very low | 26.9 | Very low | 150 Ų | 150 | 132.8 Ų | 132.8 | 80% | 0.802 | 73% | 0.73 | S | S | * | * | trans | 67.4 | 167.1 | 170.5 | -70.9 | -7.2 | 0 | 0 | 0 | 113.9 | ||||
| 964 | V | 23.4 | Very low | 26.8 | Very low | 112 Ų | 112 | 134.8 Ų | 134.8 | 68% | 0.679 | 74% | 0.735 | S | S | * | * | cis | -149.5 | 153.2 | 14.9 | 83.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 965 | L | 23.4 | Very low | 26.2 | Very low | 131 Ų | 131 | 138.5 Ų | 138.5 | 69% | 0.686 | 73% | 0.734 | S | S | * | * | trans | 30.7 | 156.9 | 144.9 | -66.8 | 173.6 | 0 | 0 | 0 | 121 | ||||
| 966 | D | 24.8 | Very low | 26.2 | Very low | 129 Ų | 129 | 139.9 Ų | 139.9 | 69% | 0.69 | 74% | 0.74 | S | S | * | * | cis | -140.3 | 165.4 | 18.5 | -99.6 | -48.5 | 0 | 0 | 0 | 108.4 | ||||
| 967 | S | 26.9 | Very low | 26.1 | Very low | 95 Ų | 95 | 139 Ų | 139 | 66% | 0.664 | 74% | 0.737 | S | S | * | * | cis | -173.6 | 166.7 | -7 | 49.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 968 | H | 25.4 | Very low | 26.1 | Very low | 123 Ų | 123 | 143.9 Ų | 143.9 | 57% | 0.569 | 74% | 0.742 | S | S | * | * | cis | -152.3 | 139.1 | -11.3 | -130.8 | -80.3 | 0 | 0 | 0 | 105.8 | ||||
| 969 | F | 27 | Very low | 27.4 | Very low | 213 Ų | 213 | 144.3 Ų | 144.3 | 93% | 0.934 | 75% | 0.745 | S | S | * | * | trans | -146.2 | 99.1 | 148.4 | -134.3 | -79.4 | 0 | 0 | 0 | 108.2 | ||||
| 970 | Q | 26.1 | Very low | 28.8 | Very low | 132 Ų | 132 | 138.8 Ų | 138.8 | 62% | 0.617 | 74% | 0.736 | S | S | * | * | trans | -90.3 | 142.3 | -178.4 | -107.7 | -174.1 | -17.7 | 0 | 0 | 110.9 | S972 | Q970-S972 PolarHBondContact O-N 3.33Š| ||
| 971 | I | 25.8 | Very low | 29 | Very low | 133 Ų | 133 | 142 Ų | 142 | 68% | 0.682 | 74% | 0.741 | S | S | * | * | 32.4 | 93.7 | 128.5 | -55.4 | 173.8 | 0 | 0 | 0 | 113.1 | |||||
| 972 | S | 27.2 | Very low | 29.3 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | 69.6 | 144.5 | 82.5 | -61 | 0 | 0 | 0 | 0 | 115.1 | Q970 | Q970-S972 PolarHBondContact O-N 3.33Š| |||
| 973 | A | 24.6 | Very low | 29.8 | Very low | 92 Ų | 92 | 141.9 Ų | 141.9 | 76% | 0.76 | 74% | 0.742 | S | S | * | * | trans | 76.7 | 106.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 974 | L | 26.1 | Very low | 30.1 | Very low | 157 Ų | 157 | 144 Ų | 144 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | trans | 68.2 | 134.2 | 131.9 | -73.2 | 162.4 | 0 | 0 | 0 | 122.1 | ||||
| 975 | E | 23.6 | Very low | 30.5 | Very low | 185 Ų | 185 | 144.6 Ų | 144.6 | 86% | 0.864 | 74% | 0.738 | S | S | * | * | trans | 71.7 | 167.1 | 157.2 | -64.5 | -175.9 | 97.5 | 0 | 0 | 118.4 | ||||
| 976 | A | 32.5 | Very low | 30.8 | Very low | 87 Ų | 87 | 143.6 Ų | 143.6 | 72% | 0.719 | 73% | 0.73 | S | S | * | * | trans | -136.7 | 146.6 | -158.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 977 | R | 31.3 | Very low | 31 | Very low | 241 Ų | 241 | 144.5 Ų | 144.5 | 91% | 0.909 | 73% | 0.734 | S | S | * | * | trans | 179.5 | 164.4 | 149.6 | -105.1 | 167.4 | -101.3 | -149.4 | 0 | 113.6 | ||||
| 978 | Y | 28.8 | Very low | 31.2 | Very low | 226 Ų | 226 | 147.3 Ų | 147.3 | 89% | 0.886 | 73% | 0.73 | S | S | * | * | trans | -58.4 | 170.7 | -171.7 | -82.3 | -97.9 | 0 | 0 | 0 | 119.1 | ||||
| 979 | P | 56.8 | Low | 31.4 | Very low | 110 Ų | 110 | 149.3 Ų | 149.3 | 71% | 0.714 | 74% | 0.74 | S | S | * | * | trans | -94.3 | -160.6 | -178.5 | 42.7 | -37.5 | 0 | 0 | 0 | 112.7 | ||||
| 980 | P | 55.7 | Low | 31.5 | Very low | 105 Ų | 105 | 146.5 Ų | 146.5 | 68% | 0.682 | 73% | 0.733 | S | S | * | * | cis | -150.8 | -162.2 | 14.5 | 47.6 | -24.7 | 0 | 0 | 0 | 119.7 | ||||
| 981 | E | 31.1 | Very low | 31.6 | Very low | 169 Ų | 169 | 144.9 Ų | 144.9 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | trans | 84.7 | 136 | 149.7 | -78.6 | -175.1 | -178.8 | 0 | 0 | 125.2 | ||||
| 982 | D | 31.4 | Very low | 31.8 | Very low | 122 Ų | 122 | 146.8 Ų | 146.8 | 65% | 0.652 | 74% | 0.742 | S | S | * | * | trans | 77.3 | 120.1 | 130.5 | -78.9 | 25.2 | 0 | 0 | 0 | 129.8 | ||||
| 983 | F | 30.3 | Very low | 32.8 | Very low | 158 Ų | 158 | 147.4 Ų | 147.4 | 69% | 0.693 | 74% | 0.743 | S | S | * | * | 88.8 | 158.5 | 124.3 | -111.6 | -88.9 | 0 | 0 | 0 | 127.3 | |||||
| 984 | Y | 30.1 | Very low | 32.9 | Very low | 193 Ų | 193 | 147.6 Ų | 147.6 | 76% | 0.757 | 75% | 0.745 | S | S | * | * | trans | 72.4 | 146.6 | 167.5 | -73.2 | -91.1 | 0 | 0 | 0 | 121.3 | ||||
| 985 | I | 31 | Very low | 33 | Very low | 125 Ų | 125 | 149 Ų | 149 | 64% | 0.641 | 75% | 0.747 | S | S | * | * | cis | -167.7 | 169.5 | -37.6 | -137.6 | -178.4 | 0 | 0 | 0 | 113 | ||||
| 986 | E | 30 | Very low | 34.2 | Very low | 110 Ų | 110 | 144.5 Ų | 144.5 | 51% | 0.514 | 74% | 0.735 | S | S | . | * | trans | 18.7 | 150 | 163.1 | -56.2 | -157.3 | 111.3 | 0 | 0 | 122.6 | R988 | E986-R988 IonicContact OE1-CZ 3.17Å; E986-R988 IonicContact OE1-NE 2.81Å; E986-R988 PolarHBondContact OE1-NE 2.93Å; E986-R988 IonicContact OE1-NH2 2.7Å; E986-R988 PolarHBondContact OE1-NH2 3.26Å; E986-R988 IonicContact OE2-NE 2.72Å; E986-R988 IonicContact OE2-NH2 2.74Å | ||
| 987 | L | 29.7 | Very low | 34.1 | Very low | 148 Ų | 148 | 148.9 Ų | 148.9 | 78% | 0.775 | 74% | 0.74 | S | S | * | * | -167.1 | 167.9 | 50.2 | -95.5 | 99.4 | 0 | 0 | 0 | 109.4 | |||||
| 988 | R | 31.4 | Very low | 34 | Very low | 155 Ų | 155 | 142.7 Ų | 142.7 | 59% | 0.585 | 73% | 0.733 | S | S | * | * | cis | -179.1 | 147.9 | -31.3 | -113.4 | -179.6 | -169.5 | -148.6 | 17.8 | 110.5 | E986 | E986-R988 IonicContact OE1-CZ 3.17Å; E986-R988 IonicContact OE1-NE 2.81Å; E986-R988 PolarHBondContact OE1-NE 2.93Å; E986-R988 IonicContact OE1-NH2 2.7Å; E986-R988 PolarHBondContact OE1-NH2 3.26Å; E986-R988 IonicContact OE2-NE 2.72Å; E986-R988 IonicContact OE2-NH2 2.74Å | ||
| 989 | H | 29.7 | Very low | 34.9 | Very low | 165 Ų | 165 | 138.3 Ų | 138.3 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | trans | 65.4 | 150.6 | 159.7 | -59.3 | -45.4 | 0 | 0 | 0 | 118.2 | ||||
| 990 | L | 28.7 | Very low | 33.7 | Very low | 153 Ų | 153 | 136.4 Ų | 136.4 | 80% | 0.801 | 73% | 0.733 | S | S | * | * | cis | -165.1 | 175.8 | -5.6 | -110 | 170.7 | 0 | 0 | 0 | 107.1 | ||||
| 991 | S | 28.8 | Very low | 32.7 | Very low | 98 Ų | 98 | 136.1 Ų | 136.1 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | cis | -153.6 | -168.4 | 6.2 | 66.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 992 | H | 29.1 | Very low | 32.6 | Very low | 174 Ų | 174 | 134.3 Ų | 134.3 | 81% | 0.806 | 74% | 0.744 | S | S | * | * | trans | -96.4 | -174.1 | 165.7 | -73 | -37.2 | 0 | 0 | 0 | 111.2 | ||||
| 993 | P | 47.3 | Very low | 32.5 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 79% | 0.792 | 75% | 0.746 | S | S | * | * | cis | -147.5 | -176.7 | 13.9 | 44.8 | -24.3 | 0 | 0 | 0 | 120.1 | ||||
| 994 | A | 27.1 | Very low | 32.5 | Very low | 97 Ų | 97 | 132.4 Ų | 132.4 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | trans | 123 | 135.8 | 136.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 995 | E | 28.6 | Very low | 32.5 | Very low | 185 Ų | 185 | 128 Ų | 128 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | trans | -104.5 | -164.5 | 168 | -51.6 | -173 | 118.1 | 0 | 0 | 109.3 | ||||
| 996 | P | 49.2 | Very low | 32.5 | Very low | 92 Ų | 92 | 130.7 Ų | 130.7 | 60% | 0.597 | 75% | 0.745 | S | S | * | * | cis | -138.5 | 174.6 | -5.8 | 39.4 | -19.8 | 0 | 0 | 0 | 116.7 | ||||
| 997 | H | 30 | Very low | 32.5 | Very low | 178 Ų | 178 | 135 Ų | 135 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | 172 | 138.5 | 118.6 | -92.3 | -70.5 | 0 | 0 | 0 | 113.5 | |||||
| 998 | S | 30.3 | Very low | 32.5 | Very low | 111 Ų | 111 | 135.2 Ų | 135.2 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | -115 | 179.5 | 176.9 | -64.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 999 | P | 47.8 | Very low | 32.4 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 87% | 0.87 | 76% | 0.76 | S | S | * | * | cis | -150 | -176.1 | 22.7 | 44.8 | -23.5 | 0 | 0 | 0 | 119.3 | ||||
| 1000 | G | 31.1 | Very low | 32.5 | Very low | 70 Ų | 70 | 130.9 Ų | 130.9 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | trans | 126.4 | 79.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1001 | A | 33.8 | Very low | 32.5 | Very low | 99 Ų | 99 | 133.4 Ų | 133.4 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | 71.9 | 130.5 | 72 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1002 | C | 29.4 | Very low | 32.6 | Very low | 132 Ų | 132 | 135.2 Ų | 135.2 | 89% | 0.892 | 75% | 0.753 | S | S | * | * | cis | -135 | 168.4 | 8 | -53.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1003 | G | 29.3 | Very low | 32.5 | Very low | 67 Ų | 67 | 134.7 Ų | 134.7 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | cis | 117.4 | 91.1 | 14.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1004 | M | 30.1 | Very low | 31.6 | Very low | 172 Ų | 172 | 134.5 Ų | 134.5 | 85% | 0.847 | 75% | 0.745 | S | S | * | * | 68.3 | 153.4 | 93.1 | -68.5 | -165.7 | 178.9 | 0 | 0 | 114.9 | |||||
| 1005 | D | 31.1 | Very low | 31.7 | Very low | 100 Ų | 100 | 138.5 Ų | 138.5 | 54% | 0.535 | 74% | 0.744 | S | S | . | * | cis | -143 | 177.7 | 15.9 | -107.4 | -35.6 | 0 | 0 | 0 | 109.1 | ||||
| 1006 | R | 30.6 | Very low | 31.6 | Very low | 182 Ų | 182 | 133 Ų | 133 | 69% | 0.687 | 74% | 0.738 | S | S | * | * | cis | 74.4 | 141.8 | 44 | -122.4 | 167.4 | 176.7 | 175 | 1.7 | 112.1 | ||||
| 1007 | R | 28.6 | Very low | 30.5 | Very low | 200 Ų | 200 | 138.8 Ų | 138.8 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | cis | -149.9 | 165.7 | 26.5 | -67 | 165.9 | -157.8 | -140.3 | 0.8 | 108.9 | ||||
| 1008 | Q | 29.9 | Very low | 30.5 | Very low | 153 Ų | 153 | 138.3 Ų | 138.3 | 72% | 0.715 | 75% | 0.749 | S | S | * | * | cis | 103.6 | 128.8 | 15.6 | -168.9 | -178.3 | 8.3 | 0 | 0 | 116.1 | ||||
| 1009 | N | 30.9 | Very low | 30.4 | Very low | 134 Ų | 134 | 139.4 Ų | 139.4 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | trans | 71.6 | 153.5 | 173.2 | -72.8 | 8.3 | 0 | 0 | 0 | 118.1 | ||||
| 1010 | T | 30.8 | Very low | 29.4 | Very low | 96 Ų | 96 | 143.9 Ų | 143.9 | 59% | 0.589 | 75% | 0.747 | S | S | * | * | cis | -171.1 | 166 | -6.4 | 24 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1011 | Y | 28.4 | Very low | 29.2 | Very low | 206 Ų | 206 | 149 Ų | 149 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | trans | 70.9 | 156.1 | 157.9 | -62.9 | -54.3 | 0 | 0 | 0 | 120.1 | ||||
| 1012 | I | 30.8 | Very low | 28.8 | Very low | 136 Ų | 136 | 153.5 Ų | 153.5 | 70% | 0.697 | 76% | 0.756 | S | S | * | * | cis | -164.4 | 157.3 | -33.6 | -146.3 | 178.1 | 0 | 0 | 0 | 111.6 | ||||
| 1013 | M | 27.6 | Very low | 28.5 | Very low | 162 Ų | 162 | 155.6 Ų | 155.6 | 80% | 0.798 | 75% | 0.752 | S | S | * | * | trans | 65.2 | 117.1 | 160.6 | -72 | -56.7 | -165.6 | 0 | 0 | 125.8 | ||||
| 1014 | D | 27.4 | Very low | 28.4 | Very low | 118 Ų | 118 | 157.5 Ų | 157.5 | 63% | 0.631 | 76% | 0.755 | S | S | * | * | 78.9 | 144.9 | 121.2 | -149 | 31 | 0 | 0 | 0 | 125.2 | |||||
| 1015 | K | 29.6 | Very low | 28.2 | Very low | 181 Ų | 181 | 155.2 Ų | 155.2 | 79% | 0.787 | 75% | 0.751 | S | S | * | * | trans | 17.7 | 136.1 | 166.9 | -72.8 | 163.8 | -159.3 | 74 | 0 | 120.4 | ||||
| 1016 | G | 27.2 | Very low | 27.8 | Very low | 71 Ų | 71 | 155.5 Ų | 155.5 | 73% | 0.732 | 76% | 0.759 | S | S | * | * | cis | 145.2 | -179.1 | 27.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1017 | F | 26.3 | Very low | 27.5 | Very low | 213 Ų | 213 | 151.9 Ų | 151.9 | 93% | 0.934 | 76% | 0.762 | S | S | * | * | trans | 77.5 | 166.4 | 178.7 | -105 | -94.1 | 0 | 0 | 0 | 119.6 | ||||
| 1018 | K | 29.7 | Very low | 27.4 | Very low | 168 Ų | 168 | 147.4 Ų | 147.4 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | trans | -118.7 | 169.7 | -155.3 | -62.9 | 179.1 | 163.6 | -170.4 | 0 | 114.9 | ||||
| 1019 | D | 28.9 | Very low | 27.5 | Very low | 133 Ų | 133 | 144.9 Ų | 144.9 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | 112.9 | 143.4 | 129.8 | -75.9 | -38.4 | 0 | 0 | 0 | 119.5 | |||||
| 1020 | Y | 26.6 | Very low | 27.3 | Very low | 228 Ų | 228 | 145 Ų | 145 | 89% | 0.894 | 77% | 0.766 | S | S | * | * | trans | 82.2 | 144.4 | 165.1 | -104.1 | -98.2 | 0 | 0 | 0 | 122.1 | ||||
| 1021 | M | 26.1 | Very low | 27 | Very low | 177 Ų | 177 | 146 Ų | 146 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | trans | -94.3 | 154.8 | -178.2 | -56.9 | -178.2 | 174.5 | 0 | 0 | 112.1 | ||||
| 1022 | K | 25.5 | Very low | 27 | Very low | 195 Ų | 195 | 140.5 Ų | 140.5 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | -175.3 | 161.1 | 101.8 | -160.2 | 158.9 | -176.5 | 177.7 | 0 | 112 | |||||
| 1023 | E | 24.1 | Very low | 26.8 | Very low | 175 Ų | 175 | 141.4 Ų | 141.4 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -82.7 | 148.5 | -172.8 | -56.5 | 148.2 | 107.1 | 0 | 0 | 115.2 | ||||
| 1024 | S | 25.9 | Very low | 26.6 | Very low | 107 Ų | 107 | 141.5 Ų | 141.5 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | -144.5 | 120.5 | 139.2 | 60.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 1025 | V | 25.7 | Very low | 26.6 | Very low | 125 Ų | 125 | 140.3 Ų | 140.3 | 76% | 0.758 | 78% | 0.778 | S | S | * | * | 60.2 | 121 | 68.7 | 179.1 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1026 | C | 23.2 | Very low | 26.6 | Very low | 105 Ų | 105 | 136.8 Ų | 136.8 | 71% | 0.709 | 78% | 0.775 | S | S | * | * | cis | -165.1 | 170.7 | -12.6 | -110.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1027 | S | 25.4 | Very low | 26.6 | Very low | 106 Ų | 106 | 142.3 Ų | 142.3 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | 71.2 | 130.6 | 162.4 | -49.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1028 | S | 26.1 | Very low | 26.9 | Very low | 107 Ų | 107 | 139.6 Ų | 139.6 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | cis | 71.8 | 140.8 | 20.3 | 108.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1029 | S | 32 | Very low | 27 | Very low | 100 Ų | 100 | 136.5 Ų | 136.5 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | cis | -159.9 | 176.8 | -8.2 | -68.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1030 | T | 26.4 | Very low | 26.9 | Very low | 135 Ų | 135 | 141 Ų | 141 | 83% | 0.828 | 78% | 0.783 | S | S | * | * | trans | -150 | 88 | 155 | 7.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1031 | C | 24.4 | Very low | 27.1 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | S | Bend | -140.2 | 85.4 | 129.6 | 53.4 | 0 | 0 | 0 | 0 | 105.9 | |||
| 1032 | S | 29.1 | Very low | 27.3 | Very low | 89 Ų | 89 | 131.5 Ų | 131.5 | 62% | 0.622 | 77% | 0.768 | S | S | * | * | 62.2 | 66 | 83.8 | -55.4 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1033 | L | 26.1 | Very low | 27.5 | Very low | 156 Ų | 156 | 128.9 Ų | 128.9 | 82% | 0.817 | 76% | 0.762 | S | S | * | * | 71.6 | 115.8 | 83 | -71.1 | 170.5 | 0 | 0 | 0 | 113.2 | S1035 | L1033-S1035 PolarHBondContact O-OG 2.9Š| |||
| 1034 | N | 23.1 | Very low | 27.7 | Very low | 163 Ų | 163 | 129.3 Ų | 129.3 | 87% | 0.872 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -102.6 | 125.3 | 154.1 | -168.9 | 32.6 | 0 | 0 | 0 | 107.3 | ||
| 1035 | S | 28 | Very low | 28 | Very low | 94 Ų | 94 | 130.3 Ų | 130.3 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | cis | -169.7 | 93.4 | -31.2 | -102.5 | 0 | 0 | 0 | 0 | 107.1 | L1033 | L1033-S1035 PolarHBondContact O-OG 2.9Š| ||
| 1036 | S | 29 | Very low | 28.9 | Very low | 106 Ų | 106 | 129.8 Ų | 129.8 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | trans | -160.8 | 103.2 | 171 | 56.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1037 | E | 27.9 | Very low | 30.4 | Very low | 187 Ų | 187 | 129.7 Ų | 129.7 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | trans | 59.1 | 95.2 | 130 | -60.1 | 179 | 135.4 | 0 | 0 | 119.8 | ||||
| 1038 | N | 31.6 | Very low | 30.7 | Very low | 157 Ų | 157 | 131.3 Ų | 131.3 | 84% | 0.84 | 75% | 0.754 | S | S | * | * | trans | -67.5 | 141.2 | 151.9 | -178.9 | 17.7 | 0 | 0 | 0 | 110.1 | ||||
| 1039 | P | 32.3 | Very low | 31.1 | Very low | 102 Ų | 102 | 133.2 Ų | 133.2 | 66% | 0.662 | 76% | 0.755 | S | S | * | * | -153.7 | 161.1 | 117.2 | 38 | -21.7 | 0 | 0 | 0 | 116.9 | |||||
| 1040 | Y | 27.2 | Very low | 31.1 | Very low | 229 Ų | 229 | 134 Ų | 134 | 90% | 0.898 | 76% | 0.755 | S | S | * | * | trans | -146.1 | 110.8 | 135.9 | -116.3 | -76.1 | 0 | 0 | 0 | 111.3 | ||||
| 1041 | A | 29.6 | Very low | 31.2 | Very low | 86 Ų | 86 | 133 Ų | 133 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | trans | 54.1 | 136.4 | 163 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1042 | T | 29.8 | Very low | 31.5 | Very low | 118 Ų | 118 | 136 Ų | 136 | 72% | 0.724 | 75% | 0.752 | S | S | * | * | cis | -152.1 | 130 | 38.6 | 41.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1043 | I | 29.7 | Very low | 31.4 | Very low | 141 Ų | 141 | 138.7 Ų | 138.7 | 72% | 0.723 | 76% | 0.759 | S | S | * | * | trans | 63.2 | 104.8 | 133.8 | -52.8 | 165.6 | 0 | 0 | 0 | 118.9 | ||||
| 1044 | K | 28.5 | Very low | 32.8 | Very low | 183 Ų | 183 | 136 Ų | 136 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | -172 | 96.5 | 107.6 | -95.7 | -155.1 | 176.8 | -174.2 | 0 | 114.4 | |||||
| 1045 | D | 32.2 | Very low | 33.4 | Very low | 129 Ų | 129 | 136.8 Ų | 136.8 | 69% | 0.69 | 75% | 0.749 | S | S | * | * | trans | 63 | 174.4 | 135.6 | -36.9 | -39.2 | 0 | 0 | 0 | 119 | ||||
| 1046 | P | 44.5 | Very low | 33.7 | Very low | 114 Ų | 114 | 137 Ų | 137 | 74% | 0.74 | 75% | 0.75 | S | S | * | * | -142.5 | -144.2 | -114.4 | 38.5 | -12.1 | 0 | 0 | 0 | 114.3 | |||||
| 1047 | P | 55.8 | Low | 33.9 | Very low | 102 Ų | 102 | 137.2 Ų | 137.2 | 66% | 0.662 | 75% | 0.752 | S | S | * | * | -123.8 | -171.7 | -60 | 25.6 | -4.1 | 0 | 0 | 0 | 113.7 | |||||
| 1048 | I | 31.5 | Very low | 34 | Very low | 141 Ų | 141 | 138.3 Ų | 138.3 | 72% | 0.723 | 75% | 0.75 | S | S | * | * | 158 | 118.8 | 122.8 | -80.5 | 166.8 | 0 | 0 | 0 | 115.3 | |||||
| 1049 | L | 35.1 | Very low | 34.3 | Very low | 146 Ų | 146 | 136 Ų | 136 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | trans | 35.9 | 160 | 139.1 | -71.8 | 65.3 | 0 | 0 | 0 | 122.4 | ||||
| 1050 | T | 31.3 | Very low | 34.4 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 71% | 0.712 | 74% | 0.743 | S | S | * | * | cis | -176.7 | 172.8 | -5.6 | 29 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1051 | C | 28.2 | Very low | 34.6 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | cis | 178.8 | 155.9 | -37.2 | -96.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1052 | K | 30.2 | Very low | 34.5 | Very low | 183 Ų | 183 | 137.1 Ų | 137.1 | 80% | 0.796 | 73% | 0.73 | S | S | * | * | trans | 79 | 119.3 | 147.3 | -79.5 | -172.5 | 172.3 | -170.6 | 0 | 126 | ||||
| 1053 | L | 27.9 | Very low | 34.4 | Very low | 146 Ų | 146 | 136.5 Ų | 136.5 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | 62.5 | 174.3 | 118.8 | -69.9 | 172.5 | 0 | 0 | 0 | 121.6 | |||||
| 1054 | P | 55.5 | Low | 35.3 | Very low | 100 Ų | 100 | 135.8 Ų | 135.8 | 65% | 0.649 | 74% | 0.735 | S | S | * | * | cis | -138.5 | 167.8 | 3.7 | 27.6 | -2.2 | 0 | 0 | 0 | 120.8 | ||||
| 1055 | E | 36.5 | Very low | 35.2 | Very low | 179 Ų | 179 | 132.8 Ų | 132.8 | 84% | 0.836 | 73% | 0.732 | S | S | * | * | trans | 62.7 | 155.6 | 138.8 | -70.5 | 172.8 | -175.3 | 0 | 0 | 124.8 | ||||
| 1056 | S | 34 | Very low | 35.1 | Very low | 97 Ų | 97 | 135.3 Ų | 135.3 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | cis | -170.3 | 175.8 | -21.1 | 63.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 1057 | S | 32.3 | Very low | 34.3 | Very low | 112 Ų | 112 | 138 Ų | 138 | 78% | 0.783 | 74% | 0.744 | S | S | * | * | trans | 88.4 | 161.2 | 170.7 | 83.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1058 | Y | 30.5 | Very low | 32.8 | Very low | 210 Ų | 210 | 136.8 Ų | 136.8 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | cis | -146.9 | -143.3 | 2.6 | -160.6 | -122.9 | 0 | 0 | 0 | 114 | ||||
| 1059 | V | 37.4 | Very low | 32.9 | Very low | 109 Ų | 109 | 135.5 Ų | 135.5 | 66% | 0.661 | 75% | 0.753 | S | S | * | * | trans | -146.7 | 175.2 | -168 | -92.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1060 | E | 34.7 | Very low | 33.5 | Very low | 150 Ų | 150 | 134.3 Ų | 134.3 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | cis | -147 | -124.4 | 26.2 | -150.7 | -134.7 | -152 | 0 | 0 | 118 | ||||
| 1061 | M | 31 | Very low | 33.4 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 60% | 0.596 | 76% | 0.76 | S | S | * | * | trans | -145.9 | 163.5 | -147.6 | -82.4 | -171.7 | -70 | 0 | 0 | 121.9 | ||||
| 1062 | K | 27.5 | Very low | 33.3 | Very low | 168 Ų | 168 | 138.6 Ų | 138.6 | 73% | 0.73 | 76% | 0.755 | S | S | * | * | trans | 92 | 106 | 132.2 | -91.3 | 169.7 | -176 | 175.9 | 0 | 126.8 | ||||
| 1063 | S | 27.5 | Very low | 33.1 | Very low | 105 Ų | 105 | 137.1 Ų | 137.1 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | 61.1 | 168.8 | 120.8 | 72.3 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 1064 | P | 48.4 | Very low | 33.4 | Very low | 126 Ų | 126 | 136.4 Ų | 136.4 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | cis | -133.9 | -145.5 | 1.8 | 44.7 | -24.7 | 0 | 0 | 0 | 115.9 | ||||
| 1065 | V | 27.3 | Very low | 33.4 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | -113.6 | 144.6 | -157.7 | 168.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1066 | H | 29.7 | Very low | 32.8 | Very low | 181 Ų | 181 | 133.7 Ų | 133.7 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | trans | -160.1 | 142.1 | 137.9 | -108.8 | 57.6 | 0 | 0 | 0 | 110.6 | ||||
| 1067 | M | 27.8 | Very low | 32.5 | Very low | 172 Ų | 172 | 136.2 Ų | 136.2 | 85% | 0.847 | 76% | 0.763 | S | S | * | * | cis | 98.3 | 120.1 | 34.7 | -115.6 | -64.8 | -165.6 | 0 | 0 | 114 | ||||
| 1068 | G | 25.3 | Very low | 32.2 | Very low | 76 Ų | 76 | 135.6 Ų | 135.6 | 78% | 0.784 | 76% | 0.758 | S | S | * | * | trans | 150.7 | 121.6 | 169 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1069 | S | 33.8 | Very low | 31.9 | Very low | 114 Ų | 114 | 131.2 Ų | 131.2 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | trans | -146.1 | 141.9 | 165.4 | 173.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1070 | P | 45.8 | Very low | 31.6 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | -153.7 | 146.5 | 118.7 | 36.9 | -18.7 | 0 | 0 | 0 | 117.8 | |||||
| 1071 | Y | 29.8 | Very low | 31.4 | Very low | 211 Ų | 211 | 129.1 Ų | 129.1 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | trans | 29 | 144.6 | 132.6 | -107.2 | -108.9 | 0 | 0 | 0 | 125.1 | ||||
| 1072 | T | 26.6 | Very low | 31.4 | Very low | 109 Ų | 109 | 131.2 Ų | 131.2 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | trans | 76.8 | 120 | 153.3 | 25.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1073 | D | 25.6 | Very low | 31.4 | Very low | 151 Ų | 151 | 129.3 Ų | 129.3 | 81% | 0.807 | 75% | 0.754 | S | S | * | * | trans | 51.3 | 139.4 | 142.2 | -63.9 | -36.3 | 0 | 0 | 0 | 124.7 | ||||
| 1074 | V | 34.9 | Very low | 31.4 | Very low | 131 Ų | 131 | 130.5 Ų | 130.5 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | trans | -67.7 | 168.2 | 168.3 | -93.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 1075 | P | 54.2 | Low | 30.4 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 75% | 0.747 | 75% | 0.748 | S | S | * | * | cis | -138.9 | -155.9 | 16.8 | 43.1 | -23.6 | 0 | 0 | 0 | 115.6 | ||||
| 1076 | S | 25.6 | Very low | 30.3 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | trans | 101 | 145.5 | 161.7 | 88.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1077 | L | 26.4 | Very low | 30.3 | Very low | 150 Ų | 150 | 133.7 Ų | 133.7 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | cis | -162.9 | 140.6 | -17.4 | -150.4 | 74.9 | 0 | 0 | 0 | 111 | ||||
| 1078 | S | 26.2 | Very low | 30.2 | Very low | 98 Ų | 98 | 133.3 Ų | 133.3 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | trans | 59.3 | 164.8 | 152.4 | 62 | 0 | 0 | 0 | 0 | 119 | ||||
| 1079 | T | 25.4 | Very low | 31.1 | Very low | 119 Ų | 119 | 134.5 Ų | 134.5 | 73% | 0.73 | 74% | 0.74 | S | S | * | * | cis | -155.1 | 136.1 | 7 | -18.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1080 | S | 31 | Very low | 31 | Very low | 90 Ų | 90 | 134.5 Ų | 134.5 | 63% | 0.629 | 74% | 0.735 | S | S | * | * | trans | 42.4 | 140 | 136.5 | 74.4 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 1081 | N | 29.4 | Very low | 30.3 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 67% | 0.668 | 73% | 0.731 | S | S | * | * | 87.6 | 112.9 | 126.9 | -79.5 | -25.3 | 0 | 0 | 0 | 124 | |||||
| 1082 | K | 30.6 | Very low | 30.2 | Very low | 165 Ų | 165 | 129.6 Ų | 129.6 | 72% | 0.717 | 73% | 0.729 | S | S | * | * | 86.8 | 129.1 | 115.3 | -74.4 | -178.4 | -179.9 | -176.2 | 0 | 124.3 | |||||
| 1083 | N | 28.1 | Very low | 30.4 | Very low | 127 Ų | 127 | 130.3 Ų | 130.3 | 68% | 0.679 | 73% | 0.733 | S | S | * | * | trans | 83 | 109.4 | 130.9 | -68.4 | 16.8 | 0 | 0 | 0 | 122.8 | ||||
| 1084 | I | 27.9 | Very low | 30.5 | Very low | 131 Ų | 131 | 129.1 Ų | 129.1 | 67% | 0.672 | 73% | 0.731 | S | S | * | * | 50.4 | 115.3 | 112.9 | -61.1 | 165.3 | 0 | 0 | 0 | 118.8 | |||||
| 1085 | Y | 27.1 | Very low | 30.2 | Very low | 194 Ų | 194 | 130.5 Ų | 130.5 | 76% | 0.761 | 73% | 0.729 | S | S | * | * | -171.6 | 154.7 | 108.1 | -106.9 | -67.7 | 0 | 0 | 0 | 113.8 | |||||
| 1086 | E | 25.1 | Very low | 28.9 | Very low | 162 Ų | 162 | 132.4 Ų | 132.4 | 76% | 0.757 | 73% | 0.728 | S | S | * | * | trans | 19 | 140.5 | 154.4 | -78.7 | 155.9 | -151.6 | 0 | 0 | 123.5 | ||||
| 1087 | V | 30.2 | Very low | 29 | Very low | 139 Ų | 139 | 131.1 Ų | 131.1 | 84% | 0.842 | 73% | 0.731 | S | S | * | * | -177.4 | 142.3 | 98.5 | 154.3 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 1088 | E | 26.2 | Very low | 29.1 | Very low | 163 Ų | 163 | 135.6 Ų | 135.6 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | trans | -104.9 | 162.3 | 173.1 | -154.9 | -166.8 | -112.5 | 0 | 0 | 110.2 | ||||
| 1089 | P | 44 | Very low | 29.1 | Very low | 102 Ų | 102 | 134.7 Ų | 134.7 | 66% | 0.662 | 75% | 0.745 | S | S | * | * | -159.7 | 138.8 | 104.6 | 38 | -17.5 | 0 | 0 | 0 | 118.8 | |||||
| 1090 | T | 32.1 | Very low | 29.3 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | trans | 63.6 | 156 | 135.2 | 65.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1091 | V | 29.7 | Very low | 29 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 70% | 0.703 | 76% | 0.761 | S | S | * | * | cis | -164.5 | 142.7 | -20.3 | 133.4 | 0 | 0 | 0 | 0 | 109.7 | V1093 | V1091-V1093 HydrophobicContact CG1-CG2 4.36Š| ||
| 1092 | S | 27.4 | Very low | 28.9 | Very low | 112 Ų | 112 | 139.9 Ų | 139.9 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | trans | 153.7 | 114 | 141.5 | 46.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1093 | V | 31 | Very low | 28.6 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | cis | 108.6 | 140.9 | 21.1 | 176.8 | 0 | 0 | 0 | 0 | 112 | V1091 | V1091-V1093 HydrophobicContact CG1-CG2 4.36Š| ||
| 1094 | V | 28.9 | Very low | 28.5 | Very low | 127 Ų | 127 | 140.5 Ų | 140.5 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | 85.9 | 120.4 | -171.8 | -174.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1095 | Q | 27.3 | Very low | 28.3 | Very low | 160 Ų | 160 | 140.6 Ų | 140.6 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | cis | -154.3 | 170.8 | -16.2 | -140.5 | 175.3 | -37.6 | 0 | 0 | 114.3 | ||||
| 1096 | E | 26.9 | Very low | 28.2 | Very low | 154 Ų | 154 | 139.5 Ų | 139.5 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | trans | -38 | 153.3 | 176.4 | -65.2 | 168.9 | 100.3 | 0 | 0 | 123.2 | ||||
| 1097 | G | 27.7 | Very low | 28.7 | Very low | 81 Ų | 81 | 139.1 Ų | 139.1 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | trans | -172.5 | 84.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1098 | R | 28.3 | Very low | 28.8 | Very low | 244 Ų | 244 | 138.5 Ų | 138.5 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | trans | -59.3 | 149 | -171.6 | -62 | 173.2 | 174.9 | 177.9 | -3.3 | 115.8 | ||||
| 1099 | G | 27.3 | Very low | 29 | Very low | 80 Ų | 80 | 141.3 Ų | 141.3 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | -175.1 | 121.3 | 158.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1100 | H | 29.4 | Very low | 28.1 | Very low | 197 Ų | 197 | 144.1 Ų | 144.1 | 91% | 0.912 | 78% | 0.784 | S | S | * | * | trans | -91 | 151 | -172.8 | -115.9 | -96.1 | 0 | 0 | 0 | 115 | ||||
| 1101 | N | 25.4 | Very low | 28.1 | Very low | 148 Ų | 148 | 145.9 Ų | 145.9 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | -12.4 | 141.4 | 156.6 | -98.5 | -2.8 | 0 | 0 | 0 | 121.1 | ||||
| 1102 | S | 25.5 | Very low | 28.7 | Very low | 98 Ų | 98 | 146 Ų | 146 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | 82.3 | 109.5 | 129.9 | -160.2 | 0 | 0 | 0 | 0 | 122 | |||||
| 1103 | S | 25.9 | Very low | 28.7 | Very low | 90 Ų | 90 | 151.1 Ų | 151.1 | 63% | 0.629 | 79% | 0.794 | S | S | * | * | 82.2 | 144.6 | 126 | 68.6 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 1104 | Y | 25.2 | Very low | 28.5 | Very low | 215 Ų | 215 | 152.1 Ų | 152.1 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | 93.7 | 140.5 | 141 | -92.9 | -57.6 | 0 | 0 | 0 | 122.8 | ||||
| 1105 | I | 23.5 | Very low | 28.5 | Very low | 132 Ų | 132 | 151 Ų | 151 | 68% | 0.677 | 79% | 0.793 | S | S | * | * | trans | 90.3 | 99.2 | 147.5 | -70.4 | 163 | 0 | 0 | 0 | 120.3 | ||||
| 1106 | Q | 25.1 | Very low | 28.6 | Very low | 172 Ų | 172 | 151.6 Ų | 151.6 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | 55 | 140.1 | 126.4 | -56.7 | 176.6 | -65.1 | 0 | 0 | 123.6 | |||||
| 1107 | N | 36.2 | Very low | 28.9 | Very low | 153 Ų | 153 | 151 Ų | 151 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -60.1 | 161.1 | 165.8 | -52.3 | -12.6 | 0 | 0 | 0 | 113.6 | ||||
| 1108 | P | 32.5 | Very low | 29.4 | Very low | 126 Ų | 126 | 153.5 Ų | 153.5 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | -116.9 | 169.5 | 125.8 | -2.9 | 23.4 | 0 | 0 | 0 | 113.5 | |||||
| 1109 | Y | 29.2 | Very low | 29.6 | Very low | 222 Ų | 222 | 144.4 Ų | 144.4 | 87% | 0.871 | 78% | 0.78 | S | S | * | * | trans | -80.4 | 154.8 | 175.4 | -83.8 | -108.9 | 0 | 0 | 0 | 112.3 | ||||
| 1110 | D | 26 | Very low | 29.9 | Very low | 161 Ų | 161 | 147.7 Ų | 147.7 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | -162.1 | 165 | 113.9 | -124.8 | -26.9 | 0 | 0 | 0 | 114.8 | |||||
| 1111 | L | 31.9 | Very low | 30 | Very low | 151 Ų | 151 | 148.1 Ų | 148.1 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -147.3 | 132.7 | 177.6 | -119.4 | 173.9 | 0 | 0 | 0 | 109.2 | ||||
| 1112 | P | 41.8 | Very low | 30.5 | Very low | 119 Ų | 119 | 145.9 Ų | 145.9 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | -152.9 | 144.7 | 126 | 33.5 | -14.8 | 0 | 0 | 0 | 118.2 | |||||
| 1113 | R | 27.4 | Very low | 30.8 | Very low | 219 Ų | 219 | 148 Ų | 148 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | trans | 24.1 | 132.3 | 142 | -78 | -178.8 | 162.5 | -173.1 | -5.1 | 122.6 | ||||
| 1114 | N | 27.2 | Very low | 30.9 | Very low | 146 Ų | 146 | 151 Ų | 151 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | trans | 57.5 | 138.3 | 132.1 | -58 | 17.8 | 0 | 0 | 0 | 118.5 | ||||
| 1115 | S | 28.7 | Very low | 32.2 | Very low | 103 Ų | 103 | 145.9 Ų | 145.9 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | cis | -168.1 | 174.6 | 32.8 | 35 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1116 | H | 30.3 | Very low | 32.5 | Very low | 173 Ų | 173 | 145.9 Ų | 145.9 | 80% | 0.801 | 77% | 0.766 | S | S | * | * | -171.9 | 165.8 | 60.4 | -140.5 | -84.6 | 0 | 0 | 0 | 113.4 | |||||
| 1117 | I | 32.6 | Very low | 32.6 | Very low | 141 Ų | 141 | 147.6 Ų | 147.6 | 72% | 0.723 | 77% | 0.765 | S | S | * | * | trans | -110.7 | 153 | 175.2 | -37.8 | 174.2 | 0 | 0 | 0 | 109 | ||||
| 1118 | P | 37.4 | Very low | 32 | Very low | 133 Ų | 133 | 148.1 Ų | 148.1 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | -141.7 | 156.8 | 113.2 | 38.6 | -26.9 | 0 | 0 | 0 | 113.9 | |||||
| 1119 | G | 33 | Very low | 32 | Very low | 54 Ų | 54 | 147.4 Ų | 147.4 | 56% | 0.557 | 76% | 0.761 | S | S | * | * | cis | 152.8 | 120.4 | -13.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1120 | H | 33.2 | Very low | 32.6 | Very low | 149 Ų | 149 | 142.5 Ų | 142.5 | 69% | 0.69 | 76% | 0.756 | S | S | * | * | trans | 60 | 158.8 | 155.4 | -65.2 | -85.5 | 0 | 0 | 0 | 119.4 | D1122 | H1120-D1122 IonicContact CE1-OD1 3.85Å; H1120-D1122 IonicContact CE1-OD2 3.58Å; H1120-D1122 IonicContact CG-OD2 2.68Å; H1120-D1122 VanDerWaalsContact ND1-CG 3.3Å; H1120-D1122 IonicContact ND1-OD1 3.34Å; H1120-D1122 PolarHBondContact ND1-OD1 2.81Å; H1120-D1122 VanDerWaalsContact ND1-OD1 3.16Å; H1120-D1122 IonicContact ND1-OD2 3.51Å; H1120-D1122 PolarHBondContact ND1-OD2 3.24Å | ||
| 1121 | Y | 32.6 | Very low | 32.7 | Very low | 206 Ų | 206 | 138.9 Ų | 138.9 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | cis | -123.2 | 150.8 | 14.1 | -76.1 | -100.1 | 0 | 0 | 0 | 111.1 | ||||
| 1122 | D | 34.5 | Very low | 32.5 | Very low | 100 Ų | 100 | 139.8 Ų | 139.8 | 54% | 0.535 | 75% | 0.754 | S | S | . | * | 72.5 | 154.3 | 54.9 | -43.1 | -41.7 | 0 | 0 | 0 | 113.8 | H1120 | H1120-D1122 IonicContact CE1-OD1 3.85Å; H1120-D1122 IonicContact CE1-OD2 3.58Å; H1120-D1122 IonicContact CG-OD2 2.68Å; H1120-D1122 VanDerWaalsContact ND1-CG 3.3Å; H1120-D1122 IonicContact ND1-OD1 3.34Å; H1120-D1122 PolarHBondContact ND1-OD1 2.81Å; H1120-D1122 VanDerWaalsContact ND1-OD1 3.16Å; H1120-D1122 IonicContact ND1-OD2 3.51Å; H1120-D1122 PolarHBondContact ND1-OD2 3.24Å | |||
| 1123 | L | 33.5 | Very low | 31.8 | Very low | 143 Ų | 143 | 137.7 Ų | 137.7 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | cis | -149.1 | 172.5 | 22.5 | -63 | 158 | 0 | 0 | 0 | 108.5 | ||||
| 1124 | L | 27.9 | Very low | 32.6 | Very low | 152 Ų | 152 | 132.9 Ų | 132.9 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | cis | -163.5 | 159.4 | -22.1 | -102.3 | 173.8 | 0 | 0 | 0 | 108.3 | ||||
| 1125 | P | 52.5 | Low | 32.7 | Very low | 108 Ų | 108 | 130.8 Ų | 130.8 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | trans | -118 | 179.6 | -171.4 | 41.9 | -32.6 | 0 | 0 | 0 | 117.7 | ||||
| 1126 | V | 29.2 | Very low | 32.8 | Very low | 133 Ų | 133 | 133.4 Ų | 133.4 | 81% | 0.806 | 75% | 0.749 | S | S | * | * | trans | 79.9 | 120.7 | 160.8 | -174.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1127 | R | 26.1 | Very low | 33 | Very low | 208 Ų | 208 | 131.1 Ų | 131.1 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | -179.7 | 140.6 | 124.2 | -103.9 | -179.5 | 173.4 | -163.2 | 2.9 | 117.1 | |||||
| 1128 | Q | 24.5 | Very low | 33 | Very low | 163 Ų | 163 | 132.1 Ų | 132.1 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | trans | 60.7 | 135.6 | 140.4 | -70.7 | 172.3 | -50.4 | 0 | 0 | 124 | ||||
| 1129 | S | 33.2 | Very low | 32.9 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 78% | 0.783 | 74% | 0.738 | S | S | * | * | trans | -84.4 | 177.7 | 155.1 | -28.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1130 | P | 42.1 | Very low | 33.1 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | cis | -144.3 | -175 | 12.2 | 44.3 | -24.9 | 0 | 0 | 0 | 118.1 | ||||
| 1131 | A | 27.1 | Very low | 33.1 | Very low | 85 Ų | 85 | 139.8 Ų | 139.8 | 70% | 0.702 | 78% | 0.779 | S | S | * | * | trans | 85.4 | 153.9 | 147.1 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1132 | N | 27.9 | Very low | 33.2 | Very low | 169 Ų | 169 | 136.3 Ų | 136.3 | 90% | 0.904 | 78% | 0.777 | S | S | * | * | trans | 78.3 | 135.5 | 171.4 | -59 | -18.5 | 0 | 0 | 0 | 119.7 | ||||
| 1133 | G | 26.3 | Very low | 33.1 | Very low | 75 Ų | 75 | 138.3 Ų | 138.3 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -115.3 | -144.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1134 | P | 44.7 | Very low | 33.1 | Very low | 118 Ų | 118 | 138 Ų | 138 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | cis | -129.9 | -171.6 | -5 | 43.4 | -28.1 | 0 | 0 | 0 | 113.9 | ||||
| 1135 | S | 28.8 | Very low | 33.4 | Very low | 103 Ų | 103 | 137.1 Ų | 137.1 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | 67.2 | 166.6 | 165.6 | 82.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 1136 | Q | 31.3 | Very low | 32.1 | Very low | 158 Ų | 158 | 139.1 Ų | 139.1 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | cis | -156.7 | 153.5 | -8.2 | -143.9 | 176.3 | -62.9 | 0 | 0 | 110.8 | ||||
| 1137 | D | 34.8 | Very low | 32.3 | Very low | 124 Ų | 124 | 139.5 Ų | 139.5 | 66% | 0.663 | 80% | 0.799 | S | S | * | * | trans | 63.5 | 144.4 | 146.8 | -91.4 | -44.4 | 0 | 0 | 0 | 125.6 | ||||
| 1138 | K | 31.7 | Very low | 32.8 | Very low | 163 Ų | 163 | 134.2 Ų | 134.2 | 71% | 0.709 | 80% | 0.8 | S | S | * | * | trans | 75.4 | 125 | 149.1 | -76.4 | 175.6 | 175.4 | -177.2 | 0 | 123.6 | ||||
| 1139 | Q | 36.5 | Very low | 33.5 | Very low | 165 Ų | 165 | 131.8 Ų | 131.8 | 77% | 0.771 | 80% | 0.803 | S | S | * | * | trans | 60 | 131.6 | 133.4 | -59.9 | 173.4 | -73.3 | 0 | 0 | 118.1 | ||||
| 1140 | S | 37.8 | Very low | 33.5 | Very low | 191 Ų | 191 | 133.6 Ų | 133.6 | 100% | 1.336 | 81% | 0.805 | S | S | * | * | cis | -138.3 | 0 | 22.1 | -49.3 | 0 | 0 | 0 | 0 | 112.6 |
Retrieved 1,140 of 1,140 residues in 462.6 ms
(Link to these results)