| 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 | 30.3 | Very low | 28.9 | Very low | 246 Ų | 246 | 149.6 Ų | 149.6 | 100% | 1.212 | 78% | 0.784 | S | S | * | * | 0 | 110.4 | 0 | -73.9 | 177.7 | -87.8 | 0 | 0 | 106.5 | |||||
| 2 | V | 25.4 | Very low | 29 | Very low | 120 Ų | 120 | 148.6 Ų | 148.6 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -115.7 | 150 | -177.9 | 178 | 0 | 0 | 0 | 0 | 108 | E6 | V2-E6 WeakPolarHBondContact CG1-OE2 3.48Š| ||
| 3 | H | 25.5 | Very low | 29.1 | Very low | 153 Ų | 153 | 145.8 Ų | 145.8 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | trans | -66.4 | 153.9 | -172.4 | -109.6 | -102.2 | 0 | 0 | 0 | 113.1 | S5 | H3-S5 PolarHBondContact O-N 3.5Š| ||
| 4 | P | 28 | Very low | 29.3 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | G | 310 helix | trans | -67.7 | -4.7 | -176.8 | -20.6 | 33.9 | 0 | 0 | 0 | 115.9 | ||
| 5 | S | 30.6 | Very low | 29.3 | Very low | 98 Ų | 98 | 147.1 Ų | 147.1 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -82.3 | -5.2 | -174.6 | 48.6 | 0 | 0 | 0 | 0 | 115.2 | H3 | H3-S5 PolarHBondContact O-N 3.5Š|
| 6 | E | 31.7 | Very low | 29.8 | Very low | 140 Ų | 140 | 147.1 Ų | 147.1 | 65% | 0.654 | 79% | 0.787 | S | S | * | * | G | 310 helix | trans | -108.1 | 3 | -178.2 | -64 | -169.5 | 152.2 | 0 | 0 | 114.2 | V2 I8 | V2-E6 WeakPolarHBondContact CG1-OE2 3.48Å; E6-I8 VanDerWaalsContact C-N 3.34Å; E6-I8 PolarHBondContact O-N 2.65Å |
| 7 | L | 30.8 | Very low | 30.2 | Very low | 131 Ų | 131 | 145.9 Ų | 145.9 | 69% | 0.686 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -82.7 | -0.2 | -171.2 | -107.6 | 153.5 | 0 | 0 | 0 | 115.6 | ||
| 8 | I | 33.6 | Very low | 30.9 | Very low | 165 Ų | 165 | 144.8 Ų | 144.8 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -80.3 | -17.3 | -178.4 | -67.3 | 175.8 | 0 | 0 | 0 | 112.6 | E6 | E6-I8 VanDerWaalsContact C-N 3.34Å; E6-I8 PolarHBondContact O-N 2.65Å |
| 9 | C | 28.6 | Very low | 31.9 | Very low | 115 Ų | 115 | 142.7 Ų | 142.7 | 78% | 0.777 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -98.8 | 8.9 | -171.6 | -68.7 | 0 | 0 | 0 | 0 | 116.5 | ||
| 10 | F | 25.8 | Very low | 33.2 | Very low | 173 Ų | 173 | 138.8 Ų | 138.8 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -117.7 | 14.8 | -167 | -106.3 | -75.9 | 0 | 0 | 0 | 118 | ||
| 11 | F | 27.9 | Very low | 35 | Very low | 194 Ų | 194 | 135.3 Ų | 135.3 | 85% | 0.851 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -131.6 | 35.4 | 177.7 | -94.8 | -74 | 0 | 0 | 0 | 115.8 | ||
| 12 | L | 30.3 | Very low | 37.3 | Very low | 137 Ų | 137 | 127.1 Ų | 127.1 | 72% | 0.717 | 70% | 0.699 | S | S | * | * | trans | -134.5 | 68.9 | 166.6 | -74.2 | 174.6 | 0 | 0 | 0 | 111.7 | ||||
| 13 | S | 29.3 | Very low | 39.9 | Very low | 112 Ų | 112 | 122.6 Ų | 122.6 | 78% | 0.783 | 67% | 0.671 | S | S | * | * | trans | -111.9 | 94.4 | 168.9 | 65.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 14 | S | 32 | Very low | 42.5 | Very low | 112 Ų | 112 | 119.8 Ų | 119.8 | 78% | 0.783 | 66% | 0.658 | S | S | * | * | S | Bend | trans | 170.5 | 7.9 | 148.9 | 46 | 0 | 0 | 0 | 0 | 116.3 | ||
| 15 | Y | 30.1 | Very low | 45 | Very low | 200 Ų | 200 | 114.5 Ų | 114.5 | 78% | 0.784 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -131.7 | 149.5 | 164.7 | -92.4 | -87.8 | 0 | 0 | 0 | 111.6 | E17 | Y15-E17 PolarHBondContact O-N 2.79Š|
| 16 | T | 36.3 | Very low | 47 | Very low | 146 Ų | 146 | 111.1 Ų | 111.1 | 90% | 0.896 | 60% | 0.6 | S | S | * | * | trans | -74.6 | 77 | 176.3 | 51.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 17 | E | 37.1 | Very low | 48.8 | Very low | 127 Ų | 127 | 105.1 Ų | 105.1 | 59% | 0.593 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 139.3 | -174 | -67.1 | -170.3 | 158 | 0 | 0 | 112.6 | Y15 | Y15-E17 PolarHBondContact O-N 2.79Š|
| 18 | K | 42.3 | Very low | 50.3 | Low | 126 Ų | 126 | 100.4 Ų | 100.4 | 55% | 0.548 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -70.3 | 154.7 | 172.4 | -58.6 | 179.2 | -171.1 | 173.7 | 0 | 109.4 | V20 G39 L40 | K18-V20 PolarHBondContact O-N 2.72Å; K18-G39 WeakPolarHBondContact CD-O 3.35Å; K18-G39 PolarHBondContact NZ-O 3.08Å; K18-L40 HydrophobicContact CB-CD2 3.55Å; K18-L40 HydrophobicContact CD-CD2 3.61Å; K18-L40 HydrophobicContact CG-CD2 4.23Å |
| 19 | P | 50.3 | Low | 51.6 | Low | 105 Ų | 105 | 96.1 Ų | 96.1 | 68% | 0.682 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 133 | 178.3 | 23.6 | -34.9 | 0 | 0 | 0 | 111.8 | ||
| 20 | V | 58 | Low | 53.3 | Low | 64 Ų | 64 | 92 Ų | 92 | 39% | 0.388 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -87.7 | 124.6 | 173.4 | -170.9 | 0 | 0 | 0 | 0 | 108.1 | K18 P41 L43 L83 | K18-V20 PolarHBondContact O-N 2.72Å; V20-P41 HydrophobicContact CB-CG 4.3Å; V20-P41 HydrophobicContact CG1-CB 4.42Å; V20-P41 HydrophobicContact CG1-CG 4.11Å; V20-P41 HydrophobicContact CG2-CG 3.9Å; V20-L43 HydrophobicContact CG1-CB 4.01Å; V20-L83 HydrophobicContact CG1-CD1 4.05Å |
| 21 | S | 71.5 | Confident | 55.3 | Low | 66 Ų | 66 | 87.2 Ų | 87.2 | 46% | 0.462 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 134.9 | 170.2 | -64.5 | 0 | 0 | 0 | 0 | 109.1 | P41 L42 L43 | S21-P41 PolarHBondContact N-O 2.94Å; S21-L42 CarbonylContact O-C 3.59Å; S21-L42 WeakPolarHBondContact O-CA 3.37Å; S21-L43 PolarHBondContact O-N 3.26Å |
| 22 | A | 78.1 | Confident | 57.3 | Low | 75 Ų | 75 | 79.5 Ų | 79.5 | 62% | 0.62 | 48% | 0.479 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 137.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | L43 | A22-L43 CarbonylContact C-O 3.52Å; A22-L43 WeakPolarHBondContact CA-O 3.24Å; A22-L43 HydrophobicContact CB-CB 4.29Å; A22-L43 HydrophobicContact CB-CD2 4.48Å |
| 23 | V | 80.8 | Confident | 59.8 | Low | 24 Ų | 24 | 77.2 Ų | 77.2 | 15% | 0.145 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 120.6 | 176.4 | 176.6 | 0 | 0 | 0 | 0 | 110 | L25 V34 L42 L43 L44 D45 | V23-L25 HydrophobicContact CG1-CD1 4.4Å; V23-V34 HydrophobicContact CB-CG2 4.38Å; V23-V34 HydrophobicContact CG1-CG2 3.98Å; V23-V34 HydrophobicContact CG2-CG1 3.9Å; V23-V34 HydrophobicContact CG2-CG2 3.81Å; V23-L42 HydrophobicContact CG2-CD1 4.02Å; V23-L43 PolarHBondContact N-O 2.95Å; V23-L44 HydrophobicContact CB-CD2 4.15Å; V23-D45 PolarHBondContact O-N 2.89Å |
| 24 | E | 80.3 | Confident | 62.4 | Low | 94 Ų | 94 | 72.8 Ų | 72.8 | 44% | 0.439 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 120.6 | 175.8 | -168.2 | -179.8 | 175.9 | 0 | 0 | 110.6 | S26 N47 R115 | E24-S26 PolarHBondContact O-N 2.98Å; E24-N47 HydrophobicContact CG-CB 3.87Å; E24-N47 VanDerWaalsContact OE1-CB 3.29Å; E24-N47 WeakPolarHBondContact OE1-CB 3.44Å; E24-N47 PolarHBondContact OE1-ND2 3.34Å; E24-R115 PolarHBondContact O-NH1 3.18Å |
| 25 | L | 78.7 | Confident | 64.9 | Low | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 41% | 0.407 | C | S | . | . | trans | -92.9 | 72.9 | 169.5 | -74.1 | 78.2 | 0 | 0 | 0 | 109.2 | V23 L44 D45 L48 W59 V117 | V23-L25 HydrophobicContact CG1-CD1 4.4Å; L25-L44 HydrophobicContact CD1-CB 3.82Å; L25-L44 HydrophobicContact CD1-CD2 4.14Å; L25-L44 HydrophobicContact CD1-CG 4.41Å; L25-D45 WeakPolarHBondContact CA-O 3.31Å; L25-D45 WeakPolarHBondContact CB-O 3.42Å; L25-D45 PolarHBondContact N-O 3.17Å; L25-L48 WeakPolarHBondContact O-CD2 3.48Å; L25-W59 HydrophobicContact CD1-CH2 4.13Å; L25-W59 HydrophobicContact CD1-CZ3 4.36Å; L25-W59 HydrophobicContact CD2-CH2 4.16Å; L25-W59 HydrophobicContact CD2-CZ3 3.76Å; L25-V117 HydrophobicContact CD1-CG1 4.09Å; L25-V117 HydrophobicContact CD2-CG1 3.84Å; L25-V117 HydrophobicContact CG-CG1 4.01Å | ||
| 26 | S | 74.3 | Confident | 67.4 | Low | 28 Ų | 28 | 60.4 Ų | 60.4 | 20% | 0.196 | 37% | 0.371 | C | S | . | . | trans | -86.5 | 176.9 | 167.9 | 72.1 | 0 | 0 | 0 | 0 | 111.7 | E24 G28 N47 | E24-S26 PolarHBondContact O-N 2.98Å; S26-G28 PolarHBondContact O-N 3.01Å; S26-G28 PolarHBondContact OG-N 3.36Å; S26-G28 VanDerWaalsContact OG-N 3.16Å; S26-N47 WeakPolarHBondContact CA-O 3.38Å; S26-N47 WeakPolarHBondContact CB-O 3.21Å | ||
| 27 | C | 68.2 | Low | 69.5 | Low | 14 Ų | 14 | 57.1 Ų | 57.1 | 10% | 0.095 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -70.1 | -15.2 | 167.3 | -68.9 | 0 | 0 | 0 | 0 | 112.7 | Q381 C392 T394 | C27-Q381 PolarHBondContact SG-NE2 3.29Å; C27-C392 HydrophobicContact CB-CB 4.3Å; C27-C392 CarbonylContact O-C 3.54Å; C27-C392 WeakPolarHBondContact O-CA 3.45Å; C27-C392 WeakPolarHBondContact O-CB 3.4Å; C27-C392 PolarHBondContact O-N 3.38Å; C27-T394 PolarHBondContact SG-OG1 2.77Å; C27-T394 VanDerWaalsContact SG-OG1 3.36Å |
| 28 | G | 63.7 | Low | 71.2 | Confident | 31 Ų | 31 | 55.8 Ų | 55.8 | 32% | 0.32 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -67 | 177.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | S26 G30 | S26-G28 PolarHBondContact O-N 3.01Å; S26-G28 PolarHBondContact OG-N 3.36Å; S26-G28 VanDerWaalsContact OG-N 3.16Å; G28-G30 PolarHBondContact O-N 3.1Å |
| 29 | A | 59.1 | Low | 72.6 | Confident | 76 Ų | 76 | 51 Ų | 51 | 63% | 0.628 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -61.8 | 135.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110 | A391 | A29-A391 HydrophobicContact CB-CB 4.45Š|
| 30 | G | 65.3 | Low | 73.8 | Confident | 28 Ų | 28 | 47.8 Ų | 47.8 | 29% | 0.289 | 31% | 0.305 | S | S | . | . | trans | -164.6 | 171.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | G28 | G28-G30 PolarHBondContact O-N 3.1Š| ||
| 31 | P | 67 | Low | 74.9 | Confident | 72 Ų | 72 | 46.3 Ų | 46.3 | 47% | 0.468 | 30% | 0.297 | S | S | . | . | trans | -64.6 | 143.8 | -177.6 | 28.1 | -36.3 | 0 | 0 | 0 | 111.4 | H33 V34 R115 | P31-H33 VanDerWaalsContact C-N 3.32Å; P31-H33 WeakPolarHBondContact CB-O 3.34Å; P31-V34 HydrophobicContact CG-CG2 4.37Å; P31-R115 PolarHBondContact O-NE 2.88Å | ||
| 32 | S | 70.8 | Confident | 75.5 | Confident | 33 Ų | 33 | 43.3 Ų | 43.3 | 23% | 0.231 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -72.6 | -25.8 | 175.5 | 50.6 | 0 | 0 | 0 | 0 | 113 | N118 L388 | S32-N118 PolarHBondContact O-N 2.92Å; S32-L388 WeakPolarHBondContact CB-O 3.35Å; S32-L388 PolarHBondContact OG-O 2.96Å |
| 33 | H | 81.8 | Confident | 75.9 | Confident | 89 Ų | 89 | 41.2 Ų | 41.2 | 41% | 0.412 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 155.7 | 177.9 | 61.9 | -78.9 | 0 | 0 | 0 | 111.4 | P31 N118 L120 | P31-H33 VanDerWaalsContact C-N 3.32Å; P31-H33 WeakPolarHBondContact CB-O 3.34Å; H33-N118 CarbonylContact C-O 3.58Å; H33-N118 WeakPolarHBondContact CA-O 3.48Å; H33-N118 HydrophobicContact CB-CB 4.06Å; H33-N118 VanDerWaalsContact CB-O 3.31Å; H33-N118 WeakPolarHBondContact CB-O 3.34Å; H33-L120 HydrophobicContact CB-CD1 4Å; H33-L120 HydrophobicContact CB-CG 4.3Å |
| 34 | V | 85.1 | Confident | 76.3 | Confident | 18 Ų | 18 | 40.1 Ų | 40.1 | 11% | 0.109 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 140.6 | 177.4 | 173.5 | 0 | 0 | 0 | 0 | 107.9 | V23 P31 L42 V117 N118 V119 L120 | V23-V34 HydrophobicContact CB-CG2 4.38Å; V23-V34 HydrophobicContact CG1-CG2 3.98Å; V23-V34 HydrophobicContact CG2-CG1 3.9Å; V23-V34 HydrophobicContact CG2-CG2 3.81Å; P31-V34 HydrophobicContact CG-CG2 4.37Å; V34-L42 HydrophobicContact CG1-CD1 3.88Å; V34-L42 HydrophobicContact CG1-CD2 3.65Å; V34-L42 HydrophobicContact CG1-CG 4.45Å; V34-V117 HydrophobicContact CB-CG2 4.33Å; V34-V117 HydrophobicContact CG2-CG2 3.54Å; V34-N118 PolarHBondContact N-O 2.88Å; V34-V119 WeakPolarHBondContact O-CA 3.33Å; V34-L120 PolarHBondContact O-N 3.05Å |
| 35 | I | 83.8 | Confident | 76.5 | Confident | 49 Ų | 49 | 38.1 Ų | 38.1 | 25% | 0.251 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 125.6 | -177.4 | -55.5 | 176.8 | 0 | 0 | 0 | 109.3 | L120 A122 V151 P152 | I35-L120 CarbonylContact C-O 3.57Å; I35-L120 WeakPolarHBondContact CA-O 3.12Å; I35-A122 HydrophobicContact CG2-CB 3.78Å; I35-V151 HydrophobicContact CD1-CG1 3.88Å; I35-V151 HydrophobicContact CG1-CG1 3.98Å; I35-V151 HydrophobicContact CG2-CG1 4.46Å; I35-P152 HydrophobicContact CD1-CB 3.54Å; I35-P152 HydrophobicContact CD1-CG 4.05Å |
| 36 | L | 83.4 | Confident | 76.7 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 110.1 | 176.8 | -179.3 | 61.5 | 0 | 0 | 0 | 110 | L42 P86 V97 V119 L120 L121 A122 | L36-L42 HydrophobicContact CD1-CB 3.51Å; L36-L42 HydrophobicContact CD1-CD2 4.22Å; L36-P86 HydrophobicContact CD1-CB 4.44Å; L36-P86 HydrophobicContact CD1-CG 3.95Å; L36-P86 HydrophobicContact CD2-CB 3.97Å; L36-P86 HydrophobicContact CD2-CG 4.36Å; L36-P86 HydrophobicContact CG-CB 4.08Å; L36-P86 HydrophobicContact CG-CG 4.09Å; L36-V97 HydrophobicContact CD2-CB 4.16Å; L36-V97 HydrophobicContact CD2-CG1 3.41Å; L36-V97 VanDerWaalsContact CD2-CG1 3.41Å; L36-V119 HydrophobicContact CB-CG1 3.9Å; L36-V119 HydrophobicContact CD2-CG1 4.27Å; L36-L120 PolarHBondContact N-O 2.89Å; L36-L121 HydrophobicContact CB-CD1 4.36Å; L36-L121 HydrophobicContact CD2-CD1 4.18Å; L36-L121 HydrophobicContact CG-CD1 4.23Å; L36-A122 WeakPolarHBondContact O-CB 3.48Å; L36-A122 PolarHBondContact O-N 2.89Å |
| 37 | E | 79.8 | Confident | 76.7 | Confident | 78 Ų | 78 | 41 Ų | 41 | 36% | 0.364 | 25% | 0.254 | S | S | . | . | trans | -79.3 | 139.1 | 179.3 | -63.5 | -171.8 | -177.3 | 0 | 0 | 112.3 | G39 L40 P86 A122 S199 | E37-G39 PolarHBondContact O-N 3Å; E37-G39 VanDerWaalsContact O-N 3.15Å; E37-L40 HydrophobicContact CB-CB 4.37Å; E37-L40 HydrophobicContact CB-CD1 4.18Å; E37-L40 PolarHBondContact O-N 2.83Å; E37-L40 WeakPolarHBondContact OE2-CD1 3.37Å; E37-P86 WeakPolarHBondContact O-CG 3.18Å; E37-A122 HydrophobicContact CG-CB 4.41Å; E37-S199 WeakPolarHBondContact OE1-CB 3.41Å; E37-S199 PolarHBondContact OE1-OG 3.01Å | ||
| 38 | L | 73.6 | Confident | 76.9 | Confident | 98 Ų | 98 | 41 Ų | 41 | 51% | 0.513 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | 117.5 | -178 | -77.6 | 170.5 | 0 | 0 | 0 | 111.6 | P94 L121 | L38-P94 HydrophobicContact CD2-CG 4.44Å; L38-L121 HydrophobicContact CD2-CD1 4.21Å; L38-L121 HydrophobicContact CD2-CD2 4.22Å; L38-L121 HydrophobicContact CD2-CG 4.5Å |
| 39 | G | 70.4 | Confident | 76.6 | Confident | 26 Ų | 26 | 42.6 Ų | 42.6 | 27% | 0.268 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 16.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | K18 E37 | K18-G39 WeakPolarHBondContact CD-O 3.35Å; K18-G39 PolarHBondContact NZ-O 3.08Å; E37-G39 PolarHBondContact O-N 3Å; E37-G39 VanDerWaalsContact O-N 3.15Å |
| 40 | L | 76.6 | Confident | 76.5 | Confident | 38 Ų | 38 | 39.8 Ų | 39.8 | 20% | 0.199 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -118.8 | 131.5 | 162.4 | -68.3 | 178.1 | 0 | 0 | 0 | 109.6 | K18 E37 P86 | K18-L40 HydrophobicContact CB-CD2 3.55Å; K18-L40 HydrophobicContact CD-CD2 3.61Å; K18-L40 HydrophobicContact CG-CD2 4.23Å; E37-L40 HydrophobicContact CB-CB 4.37Å; E37-L40 HydrophobicContact CB-CD1 4.18Å; E37-L40 PolarHBondContact O-N 2.83Å; E37-L40 WeakPolarHBondContact OE2-CD1 3.37Å; L40-P86 VanDerWaalsContact O-CD 3.31Å; L40-P86 WeakPolarHBondContact O-CD 3.47Å; L40-P86 WeakPolarHBondContact O-CG 3.35Å |
| 41 | P | 80.9 | Confident | 75.8 | Confident | 32 Ų | 32 | 43.6 Ų | 43.6 | 21% | 0.208 | 27% | 0.267 | C | S | . | . | trans | -76.8 | 150.2 | 176.3 | 32.7 | -35.3 | 0 | 0 | 0 | 112 | V20 S21 L83 L84 | V20-P41 HydrophobicContact CB-CG 4.3Å; V20-P41 HydrophobicContact CG1-CB 4.42Å; V20-P41 HydrophobicContact CG1-CG 4.11Å; V20-P41 HydrophobicContact CG2-CG 3.9Å; S21-P41 PolarHBondContact N-O 2.94Å; P41-L83 HydrophobicContact CB-CD1 4.17Å; P41-L84 WeakPolarHBondContact CA-O 3.45Å | ||
| 42 | L | 84.7 | Confident | 75.1 | Confident | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 126.7 | 176.8 | 172.9 | 66.7 | 0 | 0 | 0 | 109.7 | S21 V23 V34 L36 L44 L84 V119 | S21-L42 CarbonylContact O-C 3.59Å; S21-L42 WeakPolarHBondContact O-CA 3.37Å; V23-L42 HydrophobicContact CG2-CD1 4.02Å; V34-L42 HydrophobicContact CG1-CD1 3.88Å; V34-L42 HydrophobicContact CG1-CD2 3.65Å; V34-L42 HydrophobicContact CG1-CG 4.45Å; L36-L42 HydrophobicContact CD1-CB 3.51Å; L36-L42 HydrophobicContact CD1-CD2 4.22Å; L42-L44 HydrophobicContact CD1-CD2 4.49Å; L42-L44 HydrophobicContact CD2-CD2 4.04Å; L42-L44 HydrophobicContact CG-CD2 4.06Å; L42-L84 HydrophobicContact CB-CB 4.27Å; L42-L84 HydrophobicContact CD2-CD2 4.23Å; L42-L84 PolarHBondContact N-O 2.86Å; L42-L84 PolarHBondContact O-N 2.8Å; L42-V119 HydrophobicContact CD2-CG1 4.17Å; L42-V119 HydrophobicContact CD2-CG2 4.27Å |
| 43 | L | 86.5 | Confident | 74 | Confident | 32 Ų | 32 | 46.1 Ų | 46.1 | 17% | 0.168 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 121.7 | 174.3 | -177.5 | 63.8 | 0 | 0 | 0 | 110 | V20 S21 A22 V23 L77 L83 | V20-L43 HydrophobicContact CG1-CB 4.01Å; S21-L43 PolarHBondContact O-N 3.26Å; A22-L43 CarbonylContact C-O 3.52Å; A22-L43 WeakPolarHBondContact CA-O 3.24Å; A22-L43 HydrophobicContact CB-CB 4.29Å; A22-L43 HydrophobicContact CB-CD2 4.48Å; V23-L43 PolarHBondContact N-O 2.95Å; L43-L77 HydrophobicContact CD1-CD1 3.55Å; L43-L77 HydrophobicContact CD1-CG 4.27Å; L43-L77 HydrophobicContact CD2-CD1 4.43Å; L43-L83 HydrophobicContact CB-CD1 4.19Å; L43-L83 HydrophobicContact CD1-CB 4.33Å; L43-L83 HydrophobicContact CD1-CD1 4.18Å |
| 44 | L | 88.1 | Confident | 72.5 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 118.2 | 168 | -56.8 | -173.8 | 0 | 0 | 0 | 108.4 | V23 L25 L42 W59 S81 L82 L84 Y101 V119 | V23-L44 HydrophobicContact CB-CD2 4.15Å; L25-L44 HydrophobicContact CD1-CB 3.82Å; L25-L44 HydrophobicContact CD1-CD2 4.14Å; L25-L44 HydrophobicContact CD1-CG 4.41Å; L42-L44 HydrophobicContact CD1-CD2 4.49Å; L42-L44 HydrophobicContact CD2-CD2 4.04Å; L42-L44 HydrophobicContact CG-CD2 4.06Å; L44-W59 HydrophobicContact CB-CH2 3.5Å; L44-W59 VanDerWaalsContact CB-CH2 3.5Å; L44-W59 HydrophobicContact CB-CZ2 4.39Å; L44-W59 HydrophobicContact CB-CZ3 3.79Å; L44-W59 HydrophobicContact CD1-CZ3 4.21Å; L44-W59 WeakPolarHBondContact O-CH2 3.38Å; L44-W59 VanDerWaalsContact O-CZ2 3.26Å; L44-W59 WeakPolarHBondContact O-CZ2 3.17Å; L44-S81 WeakPolarHBondContact O-CA 3.4Å; L44-S81 WeakPolarHBondContact O-CB 3.1Å; L44-L82 HydrophobicContact CB-CB 4.5Å; L44-L82 PolarHBondContact N-O 2.89Å; L44-L82 PolarHBondContact O-N 2.84Å; L44-L84 HydrophobicContact CD1-CD1 3.96Å; L44-L84 HydrophobicContact CD1-CD2 4.17Å; L44-L84 HydrophobicContact CG-CD1 4.04Å; L44-L84 HydrophobicContact CG-CD2 4.49Å; L44-Y101 HydrophobicContact CD1-CD1 4.01Å; L44-Y101 HydrophobicContact CD1-CD2 4.3Å; L44-Y101 HydrophobicContact CD1-CG 3.76Å; L44-V119 HydrophobicContact CD1-CG2 4.18Å |
| 45 | D | 85.6 | Confident | 71.2 | Confident | 52 Ų | 52 | 50.6 Ų | 50.6 | 28% | 0.278 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 140.9 | -178.3 | -166.7 | 22 | 0 | 0 | 0 | 112.3 | V23 L25 S81 | V23-D45 PolarHBondContact O-N 2.89Å; L25-D45 WeakPolarHBondContact CA-O 3.31Å; L25-D45 WeakPolarHBondContact CB-O 3.42Å; L25-D45 PolarHBondContact N-O 3.17Å; D45-S81 PolarHBondContact OD1-OG 3.11Å |
| 46 | C | 81.8 | Confident | 70.7 | Confident | 14 Ų | 14 | 54.1 Ų | 54.1 | 10% | 0.095 | 32% | 0.324 | C | S | . | . | trans | -107.6 | 75.7 | -171.9 | -170.9 | 0 | 0 | 0 | 0 | 112 | V57 W59 C103 | C46-V57 HydrophobicContact CB-CG1 3.73Å; C46-V57 HydrophobicContact CB-CG2 4.43Å; C46-W59 HydrophobicContact CB-CH2 4.31Å; C46-W59 HydrophobicContact CB-CZ2 3.74Å; C46-C103 HydrophobicContact CB-CB 3.81Å; C46-C103 WeakPolarHBondContact CB-SG 3.28Å; C46-C103 WeakPolarHBondContact SG-CB 3.35Å; C46-C103 CovalentContact SG-SG 2.03Å; C46-C103 PolarHBondContact SG-SG 2.85Å | ||
| 47 | N | 74.6 | Confident | 70.7 | Confident | 75 Ų | 75 | 55.5 Ų | 55.5 | 40% | 0.401 | 33% | 0.333 | S | S | . | . | trans | -102.2 | 90.9 | -178.5 | -173.3 | 13.3 | 0 | 0 | 0 | 112.5 | E24 S26 G49 | E24-N47 HydrophobicContact CG-CB 3.87Å; E24-N47 VanDerWaalsContact OE1-CB 3.29Å; E24-N47 WeakPolarHBondContact OE1-CB 3.44Å; E24-N47 PolarHBondContact OE1-ND2 3.34Å; S26-N47 WeakPolarHBondContact CA-O 3.38Å; S26-N47 WeakPolarHBondContact CB-O 3.21Å; N47-G49 PolarHBondContact OD1-N 2.71Å | ||
| 48 | L | 72.3 | Confident | 71 | Confident | 13 Ų | 13 | 54.4 Ų | 54.4 | 7% | 0.068 | 33% | 0.331 | C | S | . | . | trans | -95 | 12.6 | -177.9 | -58.7 | 176.9 | 0 | 0 | 0 | 114.3 | L25 S50 L112 | L25-L48 WeakPolarHBondContact O-CD2 3.48Å; L48-S50 VanDerWaalsContact C-N 3.33Å; L48-S50 PolarHBondContact O-N 2.72Å; L48-L112 HydrophobicContact CB-CB 4.01Å; L48-L112 HydrophobicContact CB-CD1 4.12Å; L48-L112 HydrophobicContact CD1-CB 3.88Å; L48-L112 WeakPolarHBondContact CD1-O 3.41Å; L48-L112 WeakPolarHBondContact O-CD1 3.17Å | ||
| 49 | G | 57.9 | Low | 71.7 | Confident | 65 Ų | 65 | 49.8 Ų | 49.8 | 67% | 0.67 | 31% | 0.307 | S | S | * | . | trans | 70.7 | 17.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | N47 | N47-G49 PolarHBondContact OD1-N 2.71Š| ||
| 50 | S | 55.4 | Low | 72.6 | Confident | 17 Ų | 17 | 51 Ų | 51 | 12% | 0.119 | 31% | 0.305 | C | S | . | . | trans | -78.4 | 119.4 | 172.4 | 55.7 | 0 | 0 | 0 | 0 | 111 | L48 D52 F55 | L48-S50 VanDerWaalsContact C-N 3.33Å; L48-S50 PolarHBondContact O-N 2.72Å; S50-D52 PolarHBondContact O-N 2.87Å; S50-F55 WeakPolarHBondContact OG-CE1 3.19Å | ||
| 51 | S | 52 | Low | 73.3 | Confident | 109 Ų | 109 | 50.4 Ų | 50.4 | 76% | 0.762 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -62 | -15.7 | 167.7 | 51.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 52 | D | 51.9 | Low | 73.6 | Confident | 51 Ų | 51 | 53 Ų | 53 | 27% | 0.273 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -106.1 | 111.8 | -165.8 | -51.4 | -17.6 | 0 | 0 | 0 | 109.1 | S50 I109 R396 | S50-D52 PolarHBondContact O-N 2.87Å; D52-I109 WeakPolarHBondContact OD2-CD1 3.38Å; D52-R396 IonicContact OD2-NH1 3.93Å; D52-R396 PolarHBondContact OD2-NH1 3.23Å |
| 53 | T | 46.8 | Very low | 73.5 | Confident | 107 Ų | 107 | 55.9 Ų | 55.9 | 66% | 0.656 | 34% | 0.344 | S | S | * | . | trans | -81.1 | 161.6 | 174.8 | 39.2 | 0 | 0 | 0 | 0 | 111.7 | F55 | T53-F55 HydrophobicContact CG2-CD2 3.86Å; T53-F55 HydrophobicContact CG2-CE2 3.48Å; T53-F55 VanDerWaalsContact CG2-CE2 3.48Å; T53-F55 HydrophobicContact CG2-CZ 4.33Å | ||
| 54 | P | 50.5 | Low | 73.5 | Confident | 93 Ų | 93 | 61.5 Ų | 61.5 | 60% | 0.604 | 37% | 0.369 | S | S | * | . | cis | -102.7 | 153.1 | 10.2 | 38.3 | -32.4 | 0 | 0 | 0 | 114.9 | N56 | P54-N56 PolarHBondContact O-N 2.84Š| ||
| 55 | F | 58.5 | Low | 73.4 | Confident | 107 Ų | 107 | 66.9 Ų | 66.9 | 47% | 0.469 | 40% | 0.397 | S | S | . | . | trans | -88.9 | 95 | -174.7 | -63.3 | -79.9 | 0 | 0 | 0 | 112.8 | S50 T53 V57 | S50-F55 WeakPolarHBondContact OG-CE1 3.19Å; T53-F55 HydrophobicContact CG2-CD2 3.86Å; T53-F55 HydrophobicContact CG2-CE2 3.48Å; T53-F55 VanDerWaalsContact CG2-CE2 3.48Å; T53-F55 HydrophobicContact CG2-CZ 4.33Å; F55-V57 HydrophobicContact CB-CG2 4.28Å; F55-V57 PolarHBondContact O-N 2.83Å | ||
| 56 | N | 74.1 | Confident | 73.5 | Confident | 123 Ų | 123 | 65.3 Ų | 65.3 | 66% | 0.658 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 89 | 157.1 | -88 | -6.7 | 0 | 0 | 0 | 108.7 | P54 A106 | P54-N56 PolarHBondContact O-N 2.84Å; N56-A106 PolarHBondContact O-N 2.85Å |
| 57 | V | 81.9 | Confident | 73.4 | Confident | 33 Ų | 33 | 68.4 Ų | 68.4 | 20% | 0.2 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 125.6 | 171.5 | -178.4 | 0 | 0 | 0 | 0 | 109.2 | C46 F55 C103 V104 | C46-V57 HydrophobicContact CB-CG1 3.73Å; C46-V57 HydrophobicContact CB-CG2 4.43Å; F55-V57 HydrophobicContact CB-CG2 4.28Å; F55-V57 PolarHBondContact O-N 2.83Å; V57-C103 HydrophobicContact CG1-CB 4.18Å; V57-V104 WeakPolarHBondContact CA-O 3.49Å |
| 58 | T | 87.4 | Confident | 73.2 | Confident | 54 Ų | 54 | 74 Ų | 74 | 33% | 0.331 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 130.3 | 173.1 | 49.5 | 0 | 0 | 0 | 0 | 109.1 | C103 V104 | T58-C103 CarbonylContact O-C 3.55Å; T58-C103 VanDerWaalsContact O-CA 3.28Å; T58-C103 WeakPolarHBondContact O-CA 3.29Å; T58-V104 PolarHBondContact N-O 3.16Å; T58-V104 PolarHBondContact O-N 2.91Å; T58-V104 PolarHBondContact OG1-O 3.43Å; T58-V104 VanDerWaalsContact OG1-O 3.14Å |
| 59 | W | 88.4 | Confident | 73.1 | Confident | 2 Ų | 2 | 77.5 Ų | 77.5 | 1% | 0.008 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 144.2 | -177.9 | -75.2 | 86.9 | 0 | 0 | 0 | 111.2 | L25 L44 C46 L66 Y76 G80 L82 C103 | L25-W59 HydrophobicContact CD1-CH2 4.13Å; L25-W59 HydrophobicContact CD1-CZ3 4.36Å; L25-W59 HydrophobicContact CD2-CH2 4.16Å; L25-W59 HydrophobicContact CD2-CZ3 3.76Å; L44-W59 HydrophobicContact CB-CH2 3.5Å; L44-W59 VanDerWaalsContact CB-CH2 3.5Å; L44-W59 HydrophobicContact CB-CZ2 4.39Å; L44-W59 HydrophobicContact CB-CZ3 3.79Å; L44-W59 HydrophobicContact CD1-CZ3 4.21Å; L44-W59 WeakPolarHBondContact O-CH2 3.38Å; L44-W59 VanDerWaalsContact O-CZ2 3.26Å; L44-W59 WeakPolarHBondContact O-CZ2 3.17Å; C46-W59 HydrophobicContact CB-CH2 4.31Å; C46-W59 HydrophobicContact CB-CZ2 3.74Å; W59-L66 HydrophobicContact CB-CB 4.39Å; W59-L66 HydrophobicContact CB-CD1 3.87Å; W59-L66 WeakPolarHBondContact O-CB 3.44Å; W59-L66 PolarHBondContact O-N 2.97Å; W59-Y76 HydrophobicContact CB-CE1 4.05Å; W59-Y76 AromaticContact CD1-CD1 3.97Å; W59-Y76 AromaticContact CD1-CE1 3.5Å; W59-Y76 VanDerWaalsContact CD1-CE1 3.5Å; W59-Y76 AromaticContact CG-CE1 3.96Å; W59-Y76 HydrophobicContact CG-CE1 3.96Å; W59-G80 PolarHBondContact NE1-O 3.46Å; W59-L82 HydrophobicContact CB-CD2 4.41Å; W59-L82 HydrophobicContact CD2-CB 3.78Å; W59-L82 HydrophobicContact CD2-CD2 3.95Å; W59-L82 HydrophobicContact CD2-CG 4.48Å; W59-L82 HydrophobicContact CE3-CB 4.16Å; W59-L82 HydrophobicContact CE3-CD2 3.86Å; W59-L82 HydrophobicContact CG-CB 4.26Å; W59-L82 HydrophobicContact CG-CD2 4.22Å; W59-L82 HydrophobicContact CH2-CB 4.24Å; W59-L82 HydrophobicContact CZ2-CB 3.84Å; W59-L82 HydrophobicContact CZ3-CB 4.37Å; W59-L82 HydrophobicContact CZ3-CD2 4.46Å; W59-C103 HydrophobicContact CD2-CB 3.83Å; W59-C103 HydrophobicContact CE3-CB 3.87Å; W59-C103 HydrophobicContact CG-CB 4.39Å; W59-C103 HydrophobicContact CH2-CB 4.19Å; W59-C103 HydrophobicContact CZ2-CB 4.17Å; W59-C103 HydrophobicContact CZ3-CB 4.06Å |
| 60 | F | 89.3 | Confident | 73.5 | Confident | 51 Ų | 51 | 75.7 Ų | 75.7 | 22% | 0.224 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 138.7 | 178.3 | -64 | -99.8 | 0 | 0 | 0 | 109.3 | Q64 L65 Y101 S102 V104 | F60-Q64 CarbonylContact C-O 3.54Å; F60-Q64 WeakPolarHBondContact CA-O 3.48Å; F60-L65 HydrophobicContact CD1-CB 4.27Å; F60-L65 HydrophobicContact CE1-CB 3.99Å; F60-L65 HydrophobicContact CE1-CD1 4.03Å; F60-L65 HydrophobicContact CE2-CD1 4.27Å; F60-L65 HydrophobicContact CZ-CD1 3.87Å; F60-Y101 WeakPolarHBondContact O-CA 3.47Å; F60-S102 PolarHBondContact N-O 3.37Å; F60-S102 PolarHBondContact O-N 3.38Å; F60-V104 HydrophobicContact CD2-CG2 4.12Å; F60-V104 HydrophobicContact CE2-CB 4.04Å; F60-V104 HydrophobicContact CE2-CG2 3.62Å; F60-V104 HydrophobicContact CZ-CG2 4.45Å |
| 61 | K | 90 | Very high | 74.2 | Confident | 25 Ų | 25 | 77.1 Ų | 77.1 | 11% | 0.109 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 125.4 | 170.4 | -173.1 | -167.7 | 177.5 | -172 | 0 | 108 | G63 Q64 L66 N96 E98 S100 Y101 | K61-G63 PolarHBondContact O-N 3.36Å; K61-Q64 PolarHBondContact N-O 3.38Å; K61-Q64 PolarHBondContact O-N 3.21Å; K61-L66 HydrophobicContact CB-CD1 4Å; K61-L66 HydrophobicContact CB-CD2 3.81Å; K61-L66 HydrophobicContact CB-CG 3.82Å; K61-N96 PolarHBondContact NZ-O 2.89Å; K61-E98 WeakPolarHBondContact CE-O 3.49Å; K61-E98 PolarHBondContact NZ-O 3.15Å; K61-S100 CarbonylContact C-O 3.53Å; K61-S100 WeakPolarHBondContact CA-O 3.32Å; K61-Y101 HydrophobicContact CB-CD1 4.44Å; K61-Y101 HydrophobicContact CB-CE1 4.18Å; K61-Y101 HydrophobicContact CD-CE1 4.28Å; K61-Y101 HydrophobicContact CG-CD1 4.49Å; K61-Y101 HydrophobicContact CG-CE1 4.01Å; K61-Y101 HydrophobicContact CG-CE2 4.27Å |
| 62 | D | 87.5 | Confident | 74.8 | Confident | 86 Ų | 86 | 78 Ų | 78 | 46% | 0.46 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 38.7 | 179.2 | -55 | -46.9 | 0 | 0 | 0 | 112.9 | Q64 S100 | D62-Q64 PolarHBondContact O-N 2.84Å; D62-S100 WeakPolarHBondContact CA-OG 3.21Å; D62-S100 PolarHBondContact N-O 2.86Å; D62-S100 PolarHBondContact OD1-N 3.47Å; D62-S100 PolarHBondContact OD1-OG 3.36Å |
| 63 | G | 82.3 | Confident | 75.9 | Confident | 65 Ų | 65 | 79.6 Ų | 79.6 | 67% | 0.67 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | -4.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | K61 | K61-G63 PolarHBondContact O-N 3.36Š|
| 64 | Q | 86.7 | Confident | 77.7 | Confident | 150 Ų | 150 | 74.9 Ų | 74.9 | 70% | 0.701 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 141.4 | 179.3 | -57.3 | -170.5 | 15.8 | 0 | 0 | 111.3 | F60 K61 D62 L66 | F60-Q64 CarbonylContact C-O 3.54Å; F60-Q64 WeakPolarHBondContact CA-O 3.48Å; K61-Q64 PolarHBondContact N-O 3.38Å; K61-Q64 PolarHBondContact O-N 3.21Å; D62-Q64 PolarHBondContact O-N 2.84Å; Q64-L66 PolarHBondContact O-N 3.12Å |
| 65 | L | 87.4 | Confident | 79.1 | Confident | 112 Ų | 112 | 76.7 Ų | 76.7 | 59% | 0.586 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 124.9 | 176.9 | 179.8 | 68.8 | 0 | 0 | 0 | 110.1 | F60 | F60-L65 HydrophobicContact CD1-CB 4.27Å; F60-L65 HydrophobicContact CE1-CB 3.99Å; F60-L65 HydrophobicContact CE1-CD1 4.03Å; F60-L65 HydrophobicContact CE2-CD1 4.27Å; F60-L65 HydrophobicContact CZ-CD1 3.87Å |
| 66 | L | 87.1 | Confident | 80.2 | Confident | 19 Ų | 19 | 75.1 Ų | 75.1 | 10% | 0.099 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 132.6 | 172.9 | -78.8 | 166.5 | 0 | 0 | 0 | 110 | W59 K61 Q64 P70 L74 Y76 L82 Y101 | W59-L66 HydrophobicContact CB-CB 4.39Å; W59-L66 HydrophobicContact CB-CD1 3.87Å; W59-L66 WeakPolarHBondContact O-CB 3.44Å; W59-L66 PolarHBondContact O-N 2.97Å; K61-L66 HydrophobicContact CB-CD1 4Å; K61-L66 HydrophobicContact CB-CD2 3.81Å; K61-L66 HydrophobicContact CB-CG 3.82Å; Q64-L66 PolarHBondContact O-N 3.12Å; L66-P70 HydrophobicContact CD2-CB 4.4Å; L66-L74 HydrophobicContact CD2-CD1 4.17Å; L66-Y76 WeakPolarHBondContact CB-OH 3.01Å; L66-Y76 PolarHBondContact O-OH 3.24Å; L66-L82 HydrophobicContact CD1-CD2 3.8Å; L66-Y101 HydrophobicContact CD1-CD1 4.31Å; L66-Y101 HydrophobicContact CD1-CE1 4.1Å |
| 67 | P | 79.9 | Confident | 80.4 | Confident | 80 Ų | 80 | 72.4 Ų | 72.4 | 52% | 0.519 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 154.6 | 179.8 | 29.4 | -35.2 | 0 | 0 | 0 | 111 | A69 P70 Y76 | P67-A69 PolarHBondContact O-N 3.16Å; P67-P70 HydrophobicContact CG-CB 4.31Å; P67-P70 WeakPolarHBondContact O-CD 3.41Å; P67-Y76 WeakPolarHBondContact O-CE2 3.49Å; P67-Y76 PolarHBondContact O-OH 2.9Å |
| 68 | Q | 68.9 | Low | 80 | Confident | 191 Ų | 191 | 78.5 Ų | 78.5 | 89% | 0.893 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -61.9 | -17.8 | -176.1 | -72 | -149.9 | -22.3 | 0 | 0 | 115 | Y76 | Q68-Y76 WeakPolarHBondContact O-CD2 3.43Å; Q68-Y76 WeakPolarHBondContact O-CE2 3.47Å |
| 69 | A | 70.2 | Confident | 79.2 | Confident | 87 Ų | 87 | 80.6 Ų | 80.6 | 72% | 0.719 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -125.4 | 89 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | P67 G71 | P67-A69 PolarHBondContact O-N 3.16Å; A69-G71 PolarHBondContact O-N 2.91Å |
| 70 | P | 67.9 | Low | 78.6 | Confident | 28 Ų | 28 | 81.5 Ų | 81.5 | 18% | 0.182 | 45% | 0.454 | C | S | . | . | trans | -83.6 | 8.9 | -172.9 | 24 | -15.9 | 0 | 0 | 0 | 114.4 | L66 P67 L74 Y76 | L66-P70 HydrophobicContact CD2-CB 4.4Å; P67-P70 HydrophobicContact CG-CB 4.31Å; P67-P70 WeakPolarHBondContact O-CD 3.41Å; P70-L74 HydrophobicContact CB-CB 3.86Å; P70-L74 HydrophobicContact CB-CD1 4.25Å; P70-L74 HydrophobicContact CG-CB 3.88Å; P70-L74 WeakPolarHBondContact CG-O 3.02Å; P70-Y76 HydrophobicContact CG-CD2 4.2Å; P70-Y76 HydrophobicContact CG-CE2 3.64Å | ||
| 71 | G | 69.1 | Low | 78.4 | Confident | 46 Ų | 46 | 79.1 Ų | 79.1 | 47% | 0.474 | 44% | 0.444 | S | S | . | . | trans | 102.4 | -175.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114 | A69 R73 L74 | A69-G71 PolarHBondContact O-N 2.91Å; G71-R73 VanDerWaalsContact C-N 3.29Å; G71-R73 PolarHBondContact O-N 2.84Å; G71-L74 PolarHBondContact O-N 3.46Å | ||
| 72 | D | 65.9 | Low | 78.3 | Confident | 127 Ų | 127 | 77.9 Ų | 77.9 | 68% | 0.679 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -27.6 | -171.8 | -82.6 | -51.5 | 0 | 0 | 0 | 115.1 | R75 | D72-R75 PolarHBondContact O-NE 3.46Å; D72-R75 IonicContact OD1-NH2 3.27Å; D72-R75 PolarHBondContact OD1-NH2 2.73Å |
| 73 | R | 74.9 | Confident | 78.2 | Confident | 85 Ų | 85 | 75.4 Ų | 75.4 | 32% | 0.321 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -11.2 | -175.4 | -62.5 | -174 | -179.4 | 176.3 | 2 | 114.3 | G71 S85 T87 S88 V97 | G71-R73 VanDerWaalsContact C-N 3.29Å; G71-R73 PolarHBondContact O-N 2.84Å; R73-S85 PolarHBondContact O-N 2.94Å; R73-T87 PolarHBondContact NE-O 3.47Å; R73-S88 PolarHBondContact NH2-OG 3.49Å; R73-V97 HydrophobicContact CB-CG2 4.12Å |
| 74 | L | 82.7 | Confident | 78.5 | Confident | 9 Ų | 9 | 72.3 Ų | 72.3 | 5% | 0.047 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 114.8 | 179.5 | -69.4 | 175.6 | 0 | 0 | 0 | 108.4 | L66 P70 G71 L82 L83 L84 Y101 | L66-L74 HydrophobicContact CD2-CD1 4.17Å; P70-L74 HydrophobicContact CB-CB 3.86Å; P70-L74 HydrophobicContact CB-CD1 4.25Å; P70-L74 HydrophobicContact CG-CB 3.88Å; P70-L74 WeakPolarHBondContact CG-O 3.02Å; G71-L74 PolarHBondContact O-N 3.46Å; L74-L82 HydrophobicContact CB-CD1 4.43Å; L74-L83 WeakPolarHBondContact CA-O 3.41Å; L74-L84 HydrophobicContact CD2-CB 4.47Å; L74-L84 HydrophobicContact CD2-CD1 3.76Å; L74-L84 HydrophobicContact CD2-CG 3.62Å; L74-Y101 HydrophobicContact CD2-CE1 4.42Å |
| 75 | R | 80 | Confident | 78.1 | Confident | 130 Ų | 130 | 66.1 Ų | 66.1 | 49% | 0.491 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 125.9 | -173.7 | -62.8 | -178.8 | 179.1 | -163.1 | -10.6 | 111 | D72 L83 | D72-R75 PolarHBondContact O-NE 3.46Å; D72-R75 IonicContact OD1-NH2 3.27Å; D72-R75 PolarHBondContact OD1-NH2 2.73Å; R75-L83 HydrophobicContact CB-CB 4.45Å; R75-L83 PolarHBondContact N-O 2.97Å; R75-L83 PolarHBondContact O-N 2.03Å |
| 76 | Y | 82.3 | Confident | 77.1 | Confident | 74 Ų | 74 | 61 Ų | 61 | 29% | 0.29 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 135.2 | 167.8 | -61.3 | -64.4 | 0 | 0 | 0 | 110 | W59 L66 P67 Q68 P70 L82 | W59-Y76 HydrophobicContact CB-CE1 4.05Å; W59-Y76 AromaticContact CD1-CD1 3.97Å; W59-Y76 AromaticContact CD1-CE1 3.5Å; W59-Y76 VanDerWaalsContact CD1-CE1 3.5Å; W59-Y76 AromaticContact CG-CE1 3.96Å; W59-Y76 HydrophobicContact CG-CE1 3.96Å; L66-Y76 WeakPolarHBondContact CB-OH 3.01Å; L66-Y76 PolarHBondContact O-OH 3.24Å; P67-Y76 WeakPolarHBondContact O-CE2 3.49Å; P67-Y76 PolarHBondContact O-OH 2.9Å; Q68-Y76 WeakPolarHBondContact O-CD2 3.43Å; Q68-Y76 WeakPolarHBondContact O-CE2 3.47Å; P70-Y76 HydrophobicContact CG-CD2 4.2Å; P70-Y76 HydrophobicContact CG-CE2 3.64Å; Y76-L82 HydrophobicContact CD1-CD1 3.88Å; Y76-L82 HydrophobicContact CE1-CD1 3.8Å |
| 77 | L | 79.6 | Confident | 75.9 | Confident | 67 Ų | 67 | 65 Ų | 65 | 35% | 0.351 | 37% | 0.365 | S | S | . | . | trans | -90.1 | 163.6 | 169.9 | -61.5 | -167.9 | 0 | 0 | 0 | 110.8 | L43 N79 G80 S81 L83 | L43-L77 HydrophobicContact CD1-CD1 3.55Å; L43-L77 HydrophobicContact CD1-CG 4.27Å; L43-L77 HydrophobicContact CD2-CD1 4.43Å; L77-N79 WeakPolarHBondContact CB-OD1 3.32Å; L77-N79 PolarHBondContact O-N 2.87Å; L77-G80 PolarHBondContact O-N 3.33Å; L77-S81 PolarHBondContact N-O 3.33Å; L77-L83 HydrophobicContact CD2-CB 4.33Å; L77-L83 HydrophobicContact CD2-CD2 4.47Å; L77-L83 HydrophobicContact CG-CB 4.43Å | ||
| 78 | T | 71.9 | Confident | 74.5 | Confident | 161 Ų | 161 | 63.6 Ų | 63.6 | 99% | 0.988 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -20.5 | -177.7 | 48.1 | 0 | 0 | 0 | 0 | 114.3 | ||
| 79 | N | 71.8 | Confident | 73.5 | Confident | 98 Ų | 98 | 60.3 Ų | 60.3 | 52% | 0.524 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 0.8 | 174.3 | 67.7 | -22.6 | 0 | 0 | 0 | 113.6 | L77 S81 | L77-N79 WeakPolarHBondContact CB-OD1 3.32Å; L77-N79 PolarHBondContact O-N 2.87Å; N79-S81 PolarHBondContact ND2-OG 3.21Å; N79-S81 PolarHBondContact OD1-N 3.35Å; N79-S81 PolarHBondContact OD1-OG 3.46Å; N79-S81 VanDerWaalsContact OD1-OG 3.08Å |
| 80 | G | 76 | Confident | 72.4 | Confident | 21 Ų | 21 | 61.9 Ų | 61.9 | 22% | 0.216 | 36% | 0.359 | C | S | . | . | S | Bend | trans | 88.3 | -2.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | W59 L77 | W59-G80 PolarHBondContact NE1-O 3.46Å; L77-G80 PolarHBondContact O-N 3.33Å |
| 81 | S | 84.9 | Confident | 71.2 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 39% | 0.389 | C | S | . | . | trans | -68.3 | 157.5 | 171.8 | -42 | 0 | 0 | 0 | 0 | 111.5 | L44 D45 L77 N79 | L44-S81 WeakPolarHBondContact O-CA 3.4Å; L44-S81 WeakPolarHBondContact O-CB 3.1Å; D45-S81 PolarHBondContact OD1-OG 3.11Å; L77-S81 PolarHBondContact N-O 3.33Å; N79-S81 PolarHBondContact ND2-OG 3.21Å; N79-S81 PolarHBondContact OD1-N 3.35Å; N79-S81 PolarHBondContact OD1-OG 3.46Å; N79-S81 VanDerWaalsContact OD1-OG 3.08Å | ||
| 82 | L | 87.2 | Confident | 70.1 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 117.3 | -179.6 | 180 | 66.7 | 0 | 0 | 0 | 110.9 | L44 W59 L66 L74 Y76 L84 Y101 | L44-L82 HydrophobicContact CB-CB 4.5Å; L44-L82 PolarHBondContact N-O 2.89Å; L44-L82 PolarHBondContact O-N 2.84Å; W59-L82 HydrophobicContact CB-CD2 4.41Å; W59-L82 HydrophobicContact CD2-CB 3.78Å; W59-L82 HydrophobicContact CD2-CD2 3.95Å; W59-L82 HydrophobicContact CD2-CG 4.48Å; W59-L82 HydrophobicContact CE3-CB 4.16Å; W59-L82 HydrophobicContact CE3-CD2 3.86Å; W59-L82 HydrophobicContact CG-CB 4.26Å; W59-L82 HydrophobicContact CG-CD2 4.22Å; W59-L82 HydrophobicContact CH2-CB 4.24Å; W59-L82 HydrophobicContact CZ2-CB 3.84Å; W59-L82 HydrophobicContact CZ3-CB 4.37Å; W59-L82 HydrophobicContact CZ3-CD2 4.46Å; L66-L82 HydrophobicContact CD1-CD2 3.8Å; L74-L82 HydrophobicContact CB-CD1 4.43Å; Y76-L82 HydrophobicContact CD1-CD1 3.88Å; Y76-L82 HydrophobicContact CE1-CD1 3.8Å; L82-L84 HydrophobicContact CD2-CD1 4.01Å; L82-L84 HydrophobicContact CG-CD1 3.79Å; L82-Y101 HydrophobicContact CD2-CD1 3.83Å; L82-Y101 HydrophobicContact CD2-CE1 3.86Å |
| 83 | L | 86.4 | Confident | 69.4 | Low | 33 Ų | 33 | 69.5 Ų | 69.5 | 17% | 0.173 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 123.5 | 177.9 | -172.7 | 72.7 | 0 | 0 | 0 | 111 | V20 P41 L43 L74 R75 L77 | V20-L83 HydrophobicContact CG1-CD1 4.05Å; P41-L83 HydrophobicContact CB-CD1 4.17Å; L43-L83 HydrophobicContact CB-CD1 4.19Å; L43-L83 HydrophobicContact CD1-CB 4.33Å; L43-L83 HydrophobicContact CD1-CD1 4.18Å; L74-L83 WeakPolarHBondContact CA-O 3.41Å; R75-L83 HydrophobicContact CB-CB 4.45Å; R75-L83 PolarHBondContact N-O 2.97Å; R75-L83 PolarHBondContact O-N 2.03Å; L77-L83 HydrophobicContact CD2-CB 4.33Å; L77-L83 HydrophobicContact CD2-CD2 4.47Å; L77-L83 HydrophobicContact CG-CB 4.43Å |
| 84 | L | 86.7 | Confident | 68.4 | Low | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 119.3 | 176.5 | -79.3 | 58 | 0 | 0 | 0 | 109.1 | P41 L42 L44 L74 L82 V97 Y101 V119 | P41-L84 WeakPolarHBondContact CA-O 3.45Å; L42-L84 HydrophobicContact CB-CB 4.27Å; L42-L84 HydrophobicContact CD2-CD2 4.23Å; L42-L84 PolarHBondContact N-O 2.86Å; L42-L84 PolarHBondContact O-N 2.8Å; L44-L84 HydrophobicContact CD1-CD1 3.96Å; L44-L84 HydrophobicContact CD1-CD2 4.17Å; L44-L84 HydrophobicContact CG-CD1 4.04Å; L44-L84 HydrophobicContact CG-CD2 4.49Å; L74-L84 HydrophobicContact CD2-CB 4.47Å; L74-L84 HydrophobicContact CD2-CD1 3.76Å; L74-L84 HydrophobicContact CD2-CG 3.62Å; L82-L84 HydrophobicContact CD2-CD1 4.01Å; L82-L84 HydrophobicContact CG-CD1 3.79Å; L84-V97 HydrophobicContact CB-CG1 3.93Å; L84-V97 HydrophobicContact CD2-CG1 3.86Å; L84-V97 HydrophobicContact CG-CG1 3.84Å; L84-Y101 HydrophobicContact CD2-CE2 4.27Å; L84-V119 HydrophobicContact CD2-CB 4.31Å; L84-V119 HydrophobicContact CD2-CG1 3.92Å; L84-V119 HydrophobicContact CD2-CG2 3.89Å |
| 85 | S | 78.9 | Confident | 67.1 | Low | 20 Ų | 20 | 72.9 Ų | 72.9 | 14% | 0.14 | 42% | 0.416 | C | S | . | . | trans | -114.5 | 104.4 | -178.6 | -69.4 | 0 | 0 | 0 | 0 | 110.6 | R73 T87 | R73-S85 PolarHBondContact O-N 2.94Å; S85-T87 PolarHBondContact O-N 2.73Å; S85-T87 VanDerWaalsContact O-N 3.11Å | ||
| 86 | P | 67.4 | Low | 66.6 | Low | 6 Ų | 6 | 72.1 Ų | 72.1 | 4% | 0.039 | 42% | 0.422 | C | S | . | . | trans | -78.2 | 13.7 | -175.7 | 29.4 | -32.9 | 0 | 0 | 0 | 114.5 | L36 E37 L40 S88 | L36-P86 HydrophobicContact CD1-CB 4.44Å; L36-P86 HydrophobicContact CD1-CG 3.95Å; L36-P86 HydrophobicContact CD2-CB 3.97Å; L36-P86 HydrophobicContact CD2-CG 4.36Å; L36-P86 HydrophobicContact CG-CB 4.08Å; L36-P86 HydrophobicContact CG-CG 4.09Å; E37-P86 WeakPolarHBondContact O-CG 3.18Å; L40-P86 VanDerWaalsContact O-CD 3.31Å; L40-P86 WeakPolarHBondContact O-CD 3.47Å; L40-P86 WeakPolarHBondContact O-CG 3.35Å; P86-S88 PolarHBondContact O-N 3.44Å | ||
| 87 | T | 60.7 | Low | 66.4 | Low | 101 Ų | 101 | 68.6 Ų | 68.6 | 62% | 0.62 | 41% | 0.408 | S | S | * | . | trans | -67.4 | 123.7 | -175.4 | 17.5 | 0 | 0 | 0 | 0 | 112.7 | R73 S85 | R73-T87 PolarHBondContact NE-O 3.47Å; S85-T87 PolarHBondContact O-N 2.73Å; S85-T87 VanDerWaalsContact O-N 3.11Å | ||
| 88 | S | 50.3 | Low | 66.6 | Low | 51 Ų | 51 | 69 Ų | 69 | 36% | 0.357 | 41% | 0.408 | S | S | . | . | trans | -137 | 127.5 | 164.5 | -173 | 0 | 0 | 0 | 0 | 107.9 | R73 P86 D90 | R73-S88 PolarHBondContact NH2-OG 3.49Å; P86-S88 PolarHBondContact O-N 3.44Å; S88-D90 PolarHBondContact OG-N 2.83Å; S88-D90 VanDerWaalsContact OG-N 3.17Å; S88-D90 PolarHBondContact OG-O 3.32Å | ||
| 89 | A | 49.5 | Very low | 67.3 | Low | 123 Ų | 123 | 62.1 Ų | 62.1 | 100% | 1.017 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -85.7 | 4.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 90 | D | 45.3 | Very low | 68.1 | Low | 120 Ų | 120 | 58.9 Ų | 58.9 | 64% | 0.642 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -123.9 | 153.2 | -178.3 | -154.5 | -11.6 | 0 | 0 | 0 | 111.8 | S88 Q92 | S88-D90 PolarHBondContact OG-N 2.83Å; S88-D90 VanDerWaalsContact OG-N 3.17Å; S88-D90 PolarHBondContact OG-O 3.32Å; D90-Q92 VanDerWaalsContact C-N 3.26Å; D90-Q92 PolarHBondContact O-N 3.44Å |
| 91 | S | 44.6 | Very low | 68.8 | Low | 115 Ų | 115 | 57.9 Ų | 57.9 | 80% | 0.804 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -74.9 | 16.9 | -156 | 54.9 | 0 | 0 | 0 | 0 | 117.1 | ||
| 92 | Q | 45.5 | Very low | 68.9 | Low | 156 Ų | 156 | 58.7 Ų | 58.7 | 73% | 0.729 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -115.5 | 142.6 | 178.9 | -72.5 | -174.1 | -24.1 | 0 | 0 | 112.7 | D90 | D90-Q92 VanDerWaalsContact C-N 3.26Å; D90-Q92 PolarHBondContact O-N 3.44Å |
| 93 | P | 50.6 | Low | 69 | Low | 89 Ų | 89 | 58.7 Ų | 58.7 | 58% | 0.578 | 35% | 0.349 | S | S | * | . | trans | -64 | 143.3 | 178.3 | 26.9 | -34.3 | 0 | 0 | 0 | 111.5 | Q95 | P93-Q95 VanDerWaalsContact C-N 3.29Å; P93-Q95 PolarHBondContact O-N 3.25Å | ||
| 94 | P | 54.4 | Low | 69 | Low | 4 Ų | 4 | 58.3 Ų | 58.3 | 3% | 0.026 | 35% | 0.348 | C | S | . | . | trans | -75.7 | 69.5 | -175.1 | 32.7 | -39.1 | 0 | 0 | 0 | 113.6 | L38 N96 V97 L121 | L38-P94 HydrophobicContact CD2-CG 4.44Å; P94-N96 PolarHBondContact O-N 2.81Å; P94-V97 HydrophobicContact CB-CG2 4.26Å; P94-V97 PolarHBondContact O-N 3.36Å; P94-V97 VanDerWaalsContact O-N 3.09Å; P94-L121 HydrophobicContact CG-CD1 3.77Å; P94-L121 HydrophobicContact CG-CD2 3.84Å; P94-L121 HydrophobicContact CG-CG 4.48Å | ||
| 95 | Q | 55.2 | Low | 68.7 | Low | 162 Ų | 162 | 58.6 Ų | 58.6 | 76% | 0.757 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -21.7 | 179.8 | -70 | -175.4 | -17.3 | 0 | 0 | 115.1 | P93 | P93-Q95 VanDerWaalsContact C-N 3.29Å; P93-Q95 PolarHBondContact O-N 3.25Å |
| 96 | N | 70.1 | Confident | 68.7 | Low | 114 Ų | 114 | 59.7 Ų | 59.7 | 61% | 0.61 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -2.4 | -177.3 | -153.7 | 7.3 | 0 | 0 | 0 | 114.6 | K61 P94 | K61-N96 PolarHBondContact NZ-O 2.89Å; P94-N96 PolarHBondContact O-N 2.81Å |
| 97 | V | 78.1 | Confident | 69 | Low | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -24 | -179.9 | -165.8 | 0 | 0 | 0 | 0 | 112.8 | L36 R73 L84 P94 Y101 | L36-V97 HydrophobicContact CD2-CB 4.16Å; L36-V97 HydrophobicContact CD2-CG1 3.41Å; L36-V97 VanDerWaalsContact CD2-CG1 3.41Å; R73-V97 HydrophobicContact CB-CG2 4.12Å; L84-V97 HydrophobicContact CB-CG1 3.93Å; L84-V97 HydrophobicContact CD2-CG1 3.86Å; L84-V97 HydrophobicContact CG-CG1 3.84Å; P94-V97 HydrophobicContact CB-CG2 4.26Å; P94-V97 PolarHBondContact O-N 3.36Å; P94-V97 VanDerWaalsContact O-N 3.09Å; V97-Y101 WeakPolarHBondContact O-CE2 3.36Å; V97-Y101 PolarHBondContact O-OH 2.56Å |
| 98 | E | 83.4 | Confident | 69.4 | Low | 76 Ų | 76 | 61.1 Ų | 61.1 | 36% | 0.355 | 38% | 0.381 | S | S | . | . | trans | -69.3 | 147.7 | 168.8 | -63 | -174.3 | 121.1 | 0 | 0 | 110.9 | K61 V119 L121 | K61-E98 WeakPolarHBondContact CE-O 3.49Å; K61-E98 PolarHBondContact NZ-O 3.15Å; E98-V119 WeakPolarHBondContact CA-O 3.3Å; E98-L121 HydrophobicContact CG-CB 3.87Å; E98-L121 WeakPolarHBondContact OE1-CB 3.17Å; E98-L121 PolarHBondContact OE1-N 2.89Å | ||
| 99 | G | 87.3 | Confident | 70.4 | Confident | 15 Ų | 15 | 61.6 Ų | 61.6 | 16% | 0.155 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 150.4 | 177.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | Y101 V119 | G99-Y101 WeakPolarHBondContact O-CD2 3.48Å; G99-V119 PolarHBondContact N-O 2.91Å; G99-V119 PolarHBondContact O-N 3.07Å |
| 100 | S | 88.6 | Confident | 71.7 | Confident | 30 Ų | 30 | 56.4 Ų | 56.4 | 21% | 0.21 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 116.7 | 178.6 | 58.4 | 0 | 0 | 0 | 0 | 110.7 | K61 D62 N118 | K61-S100 CarbonylContact C-O 3.53Å; K61-S100 WeakPolarHBondContact CA-O 3.32Å; D62-S100 WeakPolarHBondContact CA-OG 3.21Å; D62-S100 PolarHBondContact N-O 2.86Å; D62-S100 PolarHBondContact OD1-N 3.47Å; D62-S100 PolarHBondContact OD1-OG 3.36Å; S100-N118 WeakPolarHBondContact CB-OD1 3.09Å |
| 101 | Y | 89.4 | Confident | 73.5 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 136.4 | -175.3 | -70.9 | -96.4 | 0 | 0 | 0 | 111.4 | L44 F60 K61 L66 L74 L82 L84 V97 G99 T116 V117 V119 | L44-Y101 HydrophobicContact CD1-CD1 4.01Å; L44-Y101 HydrophobicContact CD1-CD2 4.3Å; L44-Y101 HydrophobicContact CD1-CG 3.76Å; F60-Y101 WeakPolarHBondContact O-CA 3.47Å; K61-Y101 HydrophobicContact CB-CD1 4.44Å; K61-Y101 HydrophobicContact CB-CE1 4.18Å; K61-Y101 HydrophobicContact CD-CE1 4.28Å; K61-Y101 HydrophobicContact CG-CD1 4.49Å; K61-Y101 HydrophobicContact CG-CE1 4.01Å; K61-Y101 HydrophobicContact CG-CE2 4.27Å; L66-Y101 HydrophobicContact CD1-CD1 4.31Å; L66-Y101 HydrophobicContact CD1-CE1 4.1Å; L74-Y101 HydrophobicContact CD2-CE1 4.42Å; L82-Y101 HydrophobicContact CD2-CD1 3.83Å; L82-Y101 HydrophobicContact CD2-CE1 3.86Å; L84-Y101 HydrophobicContact CD2-CE2 4.27Å; V97-Y101 WeakPolarHBondContact O-CE2 3.36Å; V97-Y101 PolarHBondContact O-OH 2.56Å; G99-Y101 WeakPolarHBondContact O-CD2 3.48Å; Y101-T116 CarbonylContact O-C 3.41Å; Y101-T116 WeakPolarHBondContact O-CA 3.33Å; Y101-V117 PolarHBondContact N-O 2.8Å; Y101-V117 PolarHBondContact O-N 2.91Å; Y101-V119 HydrophobicContact CD2-CB 4.02Å; Y101-V119 HydrophobicContact CD2-CG2 3.59Å; Y101-V119 HydrophobicContact CE2-CB 3.96Å; Y101-V119 HydrophobicContact CE2-CG2 3.92Å; Y101-V119 HydrophobicContact CG-CG2 4.46Å |
| 102 | S | 88.4 | Confident | 75.4 | Confident | 17 Ų | 17 | 46.3 Ų | 46.3 | 12% | 0.119 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 162.7 | 168.6 | 61.4 | 0 | 0 | 0 | 0 | 110.3 | F60 S114 | F60-S102 PolarHBondContact N-O 3.37Å; F60-S102 PolarHBondContact O-N 3.38Å; S102-S114 WeakPolarHBondContact CA-OG 3.19Å |
| 103 | C | 87.4 | Confident | 77.3 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 150 | 175.8 | 68.3 | 0 | 0 | 0 | 0 | 111.2 | C46 V57 T58 W59 S114 | C46-C103 HydrophobicContact CB-CB 3.81Å; C46-C103 WeakPolarHBondContact CB-SG 3.28Å; C46-C103 WeakPolarHBondContact SG-CB 3.35Å; C46-C103 CovalentContact SG-SG 2.03Å; C46-C103 PolarHBondContact SG-SG 2.85Å; V57-C103 HydrophobicContact CG1-CB 4.18Å; T58-C103 CarbonylContact O-C 3.55Å; T58-C103 VanDerWaalsContact O-CA 3.28Å; T58-C103 WeakPolarHBondContact O-CA 3.29Å; W59-C103 HydrophobicContact CD2-CB 3.83Å; W59-C103 HydrophobicContact CE3-CB 3.87Å; W59-C103 HydrophobicContact CG-CB 4.39Å; W59-C103 HydrophobicContact CH2-CB 4.19Å; W59-C103 HydrophobicContact CZ2-CB 4.17Å; W59-C103 HydrophobicContact CZ3-CB 4.06Å; C103-S114 PolarHBondContact N-OG 3.35Å; C103-S114 PolarHBondContact O-N 3.24Å; C103-S114 PolarHBondContact O-OG 2.87Å; C103-S114 VanDerWaalsContact SG-CB 3.59Å |
| 104 | V | 86.8 | Confident | 78.9 | Confident | 26 Ų | 26 | 36.1 Ų | 36.1 | 16% | 0.158 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 123.7 | 172.9 | 179 | 0 | 0 | 0 | 0 | 108.3 | V57 T58 F60 A111 L112 T113 | V57-V104 WeakPolarHBondContact CA-O 3.49Å; T58-V104 PolarHBondContact N-O 3.16Å; T58-V104 PolarHBondContact O-N 2.91Å; T58-V104 PolarHBondContact OG1-O 3.43Å; T58-V104 VanDerWaalsContact OG1-O 3.14Å; F60-V104 HydrophobicContact CD2-CG2 4.12Å; F60-V104 HydrophobicContact CE2-CB 4.04Å; F60-V104 HydrophobicContact CE2-CG2 3.62Å; F60-V104 HydrophobicContact CZ-CG2 4.45Å; V104-A111 HydrophobicContact CG1-CB 3.93Å; V104-L112 CarbonylContact C-O 3.37Å; V104-L112 VanDerWaalsContact CA-O 3.27Å; V104-L112 WeakPolarHBondContact CA-O 3.4Å; V104-T113 HydrophobicContact CG2-CG2 3.95Å |
| 105 | S | 81.8 | Confident | 80.2 | Confident | 6 Ų | 6 | 36.6 Ų | 36.6 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 123.1 | 170.3 | -178.6 | 0 | 0 | 0 | 0 | 109 | A111 L112 | S105-A111 CarbonylContact O-C 3.59Å; S105-A111 WeakPolarHBondContact O-CA 3.33Å; S105-L112 PolarHBondContact N-O 2.93Å; S105-L112 PolarHBondContact O-N 3.09Å |
| 106 | A | 78 | Confident | 81.5 | Confident | 43 Ų | 43 | 32 Ų | 32 | 36% | 0.355 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 132.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | N56 A111 | N56-A106 PolarHBondContact O-N 2.85Å; A106-A111 HydrophobicContact CB-CB 4.24Å |
| 107 | S | 73.3 | Confident | 82.2 | Confident | 26 Ų | 26 | 26.5 Ų | 26.5 | 18% | 0.182 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 176.5 | 171.3 | 82.7 | 0 | 0 | 0 | 0 | 110.8 | I109 G110 | S107-I109 PolarHBondContact O-N 2.8Å; S107-I109 VanDerWaalsContact O-N 3.13Å; S107-I109 PolarHBondContact OG-N 2.65Å; S107-G110 PolarHBondContact N-O 2.79Å; S107-G110 PolarHBondContact O-N 2.78Å; S107-G110 PolarHBondContact OG-O 3.29Å |
| 108 | A | 70.6 | Confident | 82.6 | Confident | 110 Ų | 110 | 30 Ų | 30 | 91% | 0.909 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -16.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 109 | I | 70.6 | Confident | 82.8 | Confident | 62 Ų | 62 | 26.5 Ų | 26.5 | 32% | 0.318 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -28.3 | -179.8 | -61.5 | 173.8 | 0 | 0 | 0 | 111.3 | D52 S107 G378 Y379 R396 | D52-I109 WeakPolarHBondContact OD2-CD1 3.38Å; S107-I109 PolarHBondContact O-N 2.8Å; S107-I109 VanDerWaalsContact O-N 3.13Å; S107-I109 PolarHBondContact OG-N 2.65Å; I109-G378 WeakPolarHBondContact O-CA 3.31Å; I109-Y379 HydrophobicContact CB-CE2 3.87Å; I109-Y379 HydrophobicContact CG2-CD2 4.29Å; I109-Y379 HydrophobicContact CG2-CE2 3.75Å; I109-R396 HydrophobicContact CG2-CG 4.44Å |
| 110 | G | 76.7 | Confident | 82.7 | Confident | 14 Ų | 14 | 28.7 Ų | 28.7 | 14% | 0.144 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 157.3 | -170.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S107 N349 | S107-G110 PolarHBondContact N-O 2.79Å; S107-G110 PolarHBondContact O-N 2.78Å; S107-G110 PolarHBondContact OG-O 3.29Å; G110-N349 WeakPolarHBondContact CA-OD1 3.23Å |
| 111 | A | 82.9 | Confident | 82.5 | Confident | 18 Ų | 18 | 28 Ų | 28 | 15% | 0.149 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 144.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V104 S105 A106 N349 G350 | V104-A111 HydrophobicContact CG1-CB 3.93Å; S105-A111 CarbonylContact O-C 3.59Å; S105-A111 WeakPolarHBondContact O-CA 3.33Å; A106-A111 HydrophobicContact CB-CB 4.24Å; A111-N349 CarbonylContact O-C 3.57Å; A111-N349 VanDerWaalsContact O-C 3.25Å; A111-N349 WeakPolarHBondContact O-CA 3.45Å; A111-G350 PolarHBondContact O-N 3.46Å |
| 112 | L | 84.1 | Confident | 82.2 | Confident | 5 Ų | 5 | 28.1 Ų | 28.1 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 135.8 | 171.3 | -66.3 | 174.8 | 0 | 0 | 0 | 108.7 | L48 V104 S105 Y379 Q381 T394 | L48-L112 HydrophobicContact CB-CB 4.01Å; L48-L112 HydrophobicContact CB-CD1 4.12Å; L48-L112 HydrophobicContact CD1-CB 3.88Å; L48-L112 WeakPolarHBondContact CD1-O 3.41Å; L48-L112 WeakPolarHBondContact O-CD1 3.17Å; V104-L112 CarbonylContact C-O 3.37Å; V104-L112 VanDerWaalsContact CA-O 3.27Å; V104-L112 WeakPolarHBondContact CA-O 3.4Å; S105-L112 PolarHBondContact N-O 2.93Å; S105-L112 PolarHBondContact O-N 3.09Å; L112-Y379 VanDerWaalsContact CD2-CB 3.46Å; L112-Y379 HydrophobicContact CD2-CD1 3.92Å; L112-Y379 HydrophobicContact CD2-CD2 4.17Å; L112-Y379 HydrophobicContact CD2-CG 3.6Å; L112-Y379 HydrophobicContact CG-CD1 4.44Å; L112-Y379 HydrophobicContact CG-CD2 4.18Å; L112-Y379 HydrophobicContact CG-CG 4.08Å; L112-Q381 HydrophobicContact CD2-CG 4.03Å; L112-T394 HydrophobicContact CD2-CG2 3.45Å; L112-T394 VanDerWaalsContact CD2-CG2 3.45Å |
| 113 | T | 85.8 | Confident | 82 | Confident | 24 Ų | 24 | 29.9 Ų | 29.9 | 15% | 0.147 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 139 | 172.6 | -52.9 | 0 | 0 | 0 | 0 | 109.4 | V104 G350 Q381 | V104-T113 HydrophobicContact CG2-CG2 3.95Å; T113-G350 WeakPolarHBondContact OG1-CA 3.32Å; T113-Q381 PolarHBondContact O-NE2 3.41Å |
| 114 | S | 84.9 | Confident | 81.7 | Confident | 6 Ų | 6 | 30.4 Ų | 30.4 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -71.4 | 169.8 | 173.6 | 74.2 | 0 | 0 | 0 | 0 | 112.5 | S102 C103 | S102-S114 WeakPolarHBondContact CA-OG 3.19Å; C103-S114 PolarHBondContact N-OG 3.35Å; C103-S114 PolarHBondContact O-N 3.24Å; C103-S114 PolarHBondContact O-OG 2.87Å; C103-S114 VanDerWaalsContact SG-CB 3.59Å |
| 115 | R | 80.8 | Confident | 81.4 | Confident | 14 Ų | 14 | 31.4 Ų | 31.4 | 5% | 0.053 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -60.6 | 151.2 | 156.6 | 76.9 | 176.3 | -160.2 | -76.8 | -11 | 109.9 | E24 P31 | E24-R115 PolarHBondContact O-NH1 3.18Å; P31-R115 PolarHBondContact O-NE 2.88Å |
| 116 | T | 82.8 | Confident | 81.4 | Confident | 65 Ų | 65 | 35.6 Ų | 35.6 | 40% | 0.399 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -80.1 | 140.2 | 167.8 | -53 | 0 | 0 | 0 | 0 | 109.5 | Y101 | Y101-T116 CarbonylContact O-C 3.41Å; Y101-T116 WeakPolarHBondContact O-CA 3.33Å |
| 117 | V | 84.5 | Confident | 81.6 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 128.8 | 173.5 | 69.6 | 0 | 0 | 0 | 0 | 110.5 | L25 V34 Y101 | L25-V117 HydrophobicContact CD1-CG1 4.09Å; L25-V117 HydrophobicContact CD2-CG1 3.84Å; L25-V117 HydrophobicContact CG-CG1 4.01Å; V34-V117 HydrophobicContact CB-CG2 4.33Å; V34-V117 HydrophobicContact CG2-CG2 3.54Å; Y101-V117 PolarHBondContact N-O 2.8Å; Y101-V117 PolarHBondContact O-N 2.91Å |
| 118 | N | 87 | Confident | 82.1 | Confident | 74 Ų | 74 | 37.2 Ų | 37.2 | 40% | 0.396 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 115.2 | 178.8 | -65.8 | -15 | 0 | 0 | 0 | 109.8 | S32 H33 V34 S100 | S32-N118 PolarHBondContact O-N 2.92Å; H33-N118 CarbonylContact C-O 3.58Å; H33-N118 WeakPolarHBondContact CA-O 3.48Å; H33-N118 HydrophobicContact CB-CB 4.06Å; H33-N118 VanDerWaalsContact CB-O 3.31Å; H33-N118 WeakPolarHBondContact CB-O 3.34Å; V34-N118 PolarHBondContact N-O 2.88Å; S100-N118 WeakPolarHBondContact CB-OD1 3.09Å |
| 119 | V | 87.7 | Confident | 82.8 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 117.3 | 171.9 | 180 | 0 | 0 | 0 | 0 | 108.3 | V34 L36 L42 L44 L84 E98 G99 Y101 | V34-V119 WeakPolarHBondContact O-CA 3.33Å; L36-V119 HydrophobicContact CB-CG1 3.9Å; L36-V119 HydrophobicContact CD2-CG1 4.27Å; L42-V119 HydrophobicContact CD2-CG1 4.17Å; L42-V119 HydrophobicContact CD2-CG2 4.27Å; L44-V119 HydrophobicContact CD1-CG2 4.18Å; L84-V119 HydrophobicContact CD2-CB 4.31Å; L84-V119 HydrophobicContact CD2-CG1 3.92Å; L84-V119 HydrophobicContact CD2-CG2 3.89Å; E98-V119 WeakPolarHBondContact CA-O 3.3Å; G99-V119 PolarHBondContact N-O 2.91Å; G99-V119 PolarHBondContact O-N 3.07Å; Y101-V119 HydrophobicContact CD2-CB 4.02Å; Y101-V119 HydrophobicContact CD2-CG2 3.59Å; Y101-V119 HydrophobicContact CE2-CB 3.96Å; Y101-V119 HydrophobicContact CE2-CG2 3.92Å; Y101-V119 HydrophobicContact CG-CG2 4.46Å |
| 120 | L | 85.7 | Confident | 83.7 | Confident | 61 Ų | 61 | 38.6 Ų | 38.6 | 32% | 0.319 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 139.4 | 176.9 | -56.6 | 178.3 | 0 | 0 | 0 | 108.8 | H33 V34 I35 L36 V151 | H33-L120 HydrophobicContact CB-CD1 4Å; H33-L120 HydrophobicContact CB-CG 4.3Å; V34-L120 PolarHBondContact O-N 3.05Å; I35-L120 CarbonylContact C-O 3.57Å; I35-L120 WeakPolarHBondContact CA-O 3.12Å; L36-L120 PolarHBondContact N-O 2.89Å; L120-V151 HydrophobicContact CB-CG1 4.1Å; L120-V151 HydrophobicContact CD1-CG1 4.13Å |
| 121 | L | 83.9 | Confident | 84.4 | Confident | 15 Ų | 15 | 38.3 Ų | 38.3 | 8% | 0.079 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 139.1 | 174.1 | -162.4 | 76.2 | 0 | 0 | 0 | 110.1 | L36 L38 P94 E98 S123 | L36-L121 HydrophobicContact CB-CD1 4.36Å; L36-L121 HydrophobicContact CD2-CD1 4.18Å; L36-L121 HydrophobicContact CG-CD1 4.23Å; L38-L121 HydrophobicContact CD2-CD1 4.21Å; L38-L121 HydrophobicContact CD2-CD2 4.22Å; L38-L121 HydrophobicContact CD2-CG 4.5Å; P94-L121 HydrophobicContact CG-CD1 3.77Å; P94-L121 HydrophobicContact CG-CD2 3.84Å; P94-L121 HydrophobicContact CG-CG 4.48Å; E98-L121 HydrophobicContact CG-CB 3.87Å; E98-L121 WeakPolarHBondContact OE1-CB 3.17Å; E98-L121 PolarHBondContact OE1-N 2.89Å; L121-S123 PolarHBondContact O-N 2.84Å |
| 122 | A | 82.8 | Confident | 84.8 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 3% | 0.025 | 24% | 0.24 | C | C | . | . | trans | -58.1 | 123.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | I35 L36 E37 V151 A200 | I35-A122 HydrophobicContact CG2-CB 3.78Å; L36-A122 WeakPolarHBondContact O-CB 3.48Å; L36-A122 PolarHBondContact O-N 2.89Å; E37-A122 HydrophobicContact CG-CB 4.41Å; A122-V151 CarbonylContact C-O 3.59Å; A122-V151 VanDerWaalsContact CA-O 3.28Å; A122-V151 WeakPolarHBondContact CA-O 3.28Å; A122-A200 HydrophobicContact CB-CB 3.72Å; A122-A200 WeakPolarHBondContact O-CB 3.45Å | ||
| 123 | S | 83.1 | Confident | 85.2 | Confident | 54 Ų | 54 | 45.3 Ų | 45.3 | 38% | 0.378 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 151.6 | -176.6 | 57.4 | 0 | 0 | 0 | 0 | 112.3 | L121 G150 V151 N198 | L121-S123 PolarHBondContact O-N 2.84Å; S123-G150 CarbonylContact O-C 3.48Å; S123-G150 VanDerWaalsContact O-CA 3.23Å; S123-G150 WeakPolarHBondContact O-CA 3.44Å; S123-V151 PolarHBondContact N-O 2.74Å; S123-V151 PolarHBondContact O-N 2.76Å; S123-N198 PolarHBondContact O-ND2 2.87Å |
| 124 | L | 81.1 | Confident | 85.3 | Confident | 11 Ų | 11 | 46.2 Ų | 46.2 | 6% | 0.058 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 122.1 | 174.7 | -170.4 | 73.5 | 0 | 0 | 0 | 108.5 | I148 P154 A200 K201 V204 | L124-I148 HydrophobicContact CD1-CD1 4.01Å; L124-I148 HydrophobicContact CD1-CG1 4.27Å; L124-I148 HydrophobicContact CD2-CD1 4.32Å; L124-I148 HydrophobicContact CG-CD1 3.98Å; L124-P154 HydrophobicContact CD1-CB 3.61Å; L124-P154 HydrophobicContact CD1-CG 3.94Å; L124-A200 HydrophobicContact CB-CB 4.46Å; L124-K201 HydrophobicContact CB-CB 4.39Å; L124-K201 HydrophobicContact CB-CD 4.36Å; L124-K201 HydrophobicContact CD2-CB 4.02Å; L124-K201 PolarHBondContact O-NZ 2.83Å; L124-V204 HydrophobicContact CD2-CB 4.07Å; L124-V204 HydrophobicContact CD2-CG2 3.66Å |
| 125 | S | 80.5 | Confident | 85.3 | Confident | 47 Ų | 47 | 50.5 Ų | 50.5 | 33% | 0.329 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | -175 | -173 | 71.2 | 0 | 0 | 0 | 0 | 112.7 | E149 | S125-E149 WeakPolarHBondContact CB-O 3.31Å; S125-E149 PolarHBondContact N-O 2.88Å; S125-E149 PolarHBondContact OG-N 2.97Å; S125-E149 VanDerWaalsContact OG-N 3.12Å; S125-E149 PolarHBondContact OG-O 2.79Å |
| 126 | S | 82.4 | Confident | 85.4 | Confident | 95 Ų | 95 | 50.6 Ų | 50.6 | 66% | 0.664 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 159.4 | 154.1 | 50.8 | 0 | 0 | 0 | 0 | 110.2 | S128 | S126-S128 PolarHBondContact O-N 3.17Å |
| 127 | F | 83.6 | Confident | 85.2 | Confident | 27 Ų | 27 | 49.6 Ų | 49.6 | 12% | 0.118 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 133 | 168 | -65.7 | -77 | 0 | 0 | 0 | 110.2 | E130 C146 Q147 I148 A196 V204 S205 | F127-E130 HydrophobicContact CB-CG 3.56Å; F127-E130 HydrophobicContact CD2-CG 4.3Å; F127-E130 HydrophobicContact CG-CG 4.09Å; F127-C146 WeakPolarHBondContact CE1-SG 3.41Å; F127-Q147 CarbonylContact C-O 3.51Å; F127-Q147 WeakPolarHBondContact CA-O 3.15Å; F127-I148 HydrophobicContact CD1-CB 3.75Å; F127-I148 HydrophobicContact CD1-CD1 4.07Å; F127-I148 HydrophobicContact CD1-CG1 4.31Å; F127-I148 HydrophobicContact CD1-CG2 4.32Å; F127-I148 HydrophobicContact CE1-CB 4.05Å; F127-I148 HydrophobicContact CE1-CD1 3.88Å; F127-I148 HydrophobicContact CE1-CG2 4.18Å; F127-I148 HydrophobicContact CG-CD1 4.5Å; F127-I148 HydrophobicContact CZ-CD1 4.19Å; F127-A196 HydrophobicContact CE1-CB 4.17Å; F127-A196 HydrophobicContact CZ-CB 4.43Å; F127-V204 HydrophobicContact CE2-CG1 3.75Å; F127-V204 HydrophobicContact CZ-CG1 4.13Å; F127-S205 VanDerWaalsContact CE2-C 3.48Å |
| 128 | S | 83.6 | Confident | 85 | Confident | 76 Ų | 76 | 52.6 Ų | 52.6 | 53% | 0.531 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | -32.8 | 169.4 | 49 | 0 | 0 | 0 | 0 | 110.6 | S126 Q147 | S126-S128 PolarHBondContact O-N 3.17Å; S128-Q147 PolarHBondContact N-O 2.89Å; S128-Q147 WeakPolarHBondContact OG-CB 3.38Å; S128-Q147 PolarHBondContact OG-O 2.84Å |
| 129 | E | 85.2 | Confident | 84.4 | Confident | 82 Ų | 82 | 51.6 Ų | 51.6 | 38% | 0.383 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 120.1 | 171.5 | -167.6 | 169.2 | -163.7 | 0 | 0 | 109.6 | C146 Q147 | E129-C146 WeakPolarHBondContact O-CA 3.42Å; E129-Q147 HydrophobicContact CB-CB 3.85Å; E129-Q147 HydrophobicContact CB-CG 4.02Å; E129-Q147 PolarHBondContact N-O 2.92Å; E129-Q147 PolarHBondContact O-N 3.06Å; E129-Q147 PolarHBondContact OE2-NE2 3Å |
| 130 | E | 89.4 | Confident | 83.7 | Confident | 119 Ų | 119 | 52.5 Ų | 52.5 | 56% | 0.556 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -94.6 | 149.3 | 176.8 | -68 | -161.7 | 123.8 | 0 | 0 | 111.1 | F127 S132 S206 | F127-E130 HydrophobicContact CB-CG 3.56Å; F127-E130 HydrophobicContact CD2-CG 4.3Å; F127-E130 HydrophobicContact CG-CG 4.09Å; E130-S132 PolarHBondContact O-N 3.26Å; E130-S206 VanDerWaalsContact OE1-CB 3.31Å; E130-S206 WeakPolarHBondContact OE1-CB 3.48Å; E130-S206 PolarHBondContact OE1-OG 3.43Å |
| 131 | P | 91.7 | Very high | 83.3 | Confident | 8 Ų | 8 | 51.7 Ų | 51.7 | 5% | 0.052 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 131.7 | 177.8 | 27.7 | -35.8 | 0 | 0 | 0 | 111.5 | F144 E145 W158 A208 | P131-F144 HydrophobicContact CB-CB 4.49Å; P131-F144 HydrophobicContact CB-CD1 4.3Å; P131-E145 WeakPolarHBondContact CA-O 3.27Å; P131-E145 WeakPolarHBondContact CB-O 3.43Å; P131-W158 HydrophobicContact CB-CH2 3.91Å; P131-W158 HydrophobicContact CB-CZ3 4.23Å; P131-W158 HydrophobicContact CG-CH2 4.42Å; P131-A208 HydrophobicContact CB-CB 3.65Å; P131-A208 HydrophobicContact CG-CB 4.08Å; P131-A208 WeakPolarHBondContact O-CB 3.18Å |
| 132 | S | 90.8 | Very high | 83.3 | Confident | 70 Ų | 70 | 51.1 Ų | 51.1 | 49% | 0.49 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -93.5 | 142.7 | 177.9 | 50.2 | 0 | 0 | 0 | 0 | 111.7 | E130 F144 | E130-S132 PolarHBondContact O-N 3.26Å; S132-F144 WeakPolarHBondContact O-CD1 3Å; S132-F144 WeakPolarHBondContact O-CE1 3.48Å |
| 133 | P | 91.4 | Very high | 83.5 | Confident | 99 Ų | 99 | 54 Ų | 54 | 64% | 0.643 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 138.5 | 173.8 | -23.4 | 33.9 | 0 | 0 | 0 | 112.1 | R209 | P133-R209 WeakPolarHBondContact CA-O 3.35Š|
| 134 | Q | 89.1 | Confident | 83.8 | Confident | 44 Ų | 44 | 51.4 Ų | 51.4 | 21% | 0.206 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 141.9 | -177.1 | -64.2 | -161.1 | -17.8 | 0 | 0 | 112.6 | V136 R143 F144 R209 L210 I211 | Q134-V136 HydrophobicContact CB-CG2 4.39Å; Q134-R143 PolarHBondContact NE2-O 2.97Å; Q134-R143 PolarHBondContact OE1-O 2.85Å; Q134-F144 HydrophobicContact CB-CE1 4.36Å; Q134-F144 HydrophobicContact CB-CZ 4.47Å; Q134-F144 HydrophobicContact CG-CD1 4.5Å; Q134-F144 HydrophobicContact CG-CE1 4.08Å; Q134-R209 PolarHBondContact N-O 3.06Å; Q134-L210 HydrophobicContact CB-CD1 4.07Å; Q134-L210 CarbonylContact O-C 3.52Å; Q134-I211 PolarHBondContact O-N 2.88Å |
| 135 | T | 84.4 | Confident | 84.1 | Confident | 95 Ų | 95 | 52.3 Ų | 52.3 | 58% | 0.583 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 119.6 | 169.7 | -57.3 | 0 | 0 | 0 | 0 | 108.8 | I211 T213 | T135-I211 WeakPolarHBondContact CA-O 3.43Å; T135-I211 HydrophobicContact CG2-CB 4.42Å; T135-I211 HydrophobicContact CG2-CG2 4.32Å; T135-T213 HydrophobicContact CG2-CG2 3.7Å |
| 136 | V | 83.2 | Confident | 84.5 | Confident | 16 Ų | 16 | 50 Ų | 50 | 10% | 0.097 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 143.3 | -174 | -178.9 | 0 | 0 | 0 | 0 | 109.6 | Q134 A142 V184 L210 I211 V212 T213 | Q134-V136 HydrophobicContact CB-CG2 4.39Å; V136-A142 HydrophobicContact CG2-CB 4Å; V136-V184 HydrophobicContact CG1-CB 4.21Å; V136-V184 HydrophobicContact CG1-CG1 4.43Å; V136-V184 HydrophobicContact CG1-CG2 4.14Å; V136-L210 HydrophobicContact CB-CD1 4.31Å; V136-L210 HydrophobicContact CG2-CD1 3.9Å; V136-I211 PolarHBondContact N-O 3.14Å; V136-V212 WeakPolarHBondContact O-CA 3.23Å; V136-T213 PolarHBondContact O-N 2.97Å; V136-T213 PolarHBondContact O-OG1 2.89Å |
| 137 | T | 78.4 | Confident | 84.7 | Confident | 45 Ų | 45 | 49.2 Ų | 49.2 | 28% | 0.276 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 149.1 | 173.9 | 46.7 | 0 | 0 | 0 | 0 | 111.7 | G139 G140 T213 I217 | T137-G139 PolarHBondContact O-N 3.19Å; T137-G140 WeakPolarHBondContact O-CA 3.43Å; T137-G140 PolarHBondContact O-N 3.15Å; T137-T213 CarbonylContact C-O 3.59Å; T137-T213 VanDerWaalsContact CA-O 3.24Å; T137-T213 WeakPolarHBondContact CA-O 3.47Å; T137-T213 WeakPolarHBondContact CG2-OG1 3.48Å; T137-I217 HydrophobicContact CG2-CD1 4.06Å |
| 138 | T | 80.9 | Confident | 84.9 | Confident | 62 Ų | 62 | 48.6 Ų | 48.6 | 38% | 0.38 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 129 | 175.3 | 47.5 | 0 | 0 | 0 | 0 | 112.1 | G140 V184 V212 T213 T214 | T138-G140 VanDerWaalsContact C-N 3.32Å; T138-V184 CarbonylContact C-O 3.58Å; T138-V184 WeakPolarHBondContact CA-O 3.33Å; T138-V212 HydrophobicContact CG2-CG1 3.7Å; T138-T213 PolarHBondContact N-O 3.4Å; T138-T214 HydrophobicContact CG2-CG2 3.94Å |
| 139 | G | 73.1 | Confident | 84.9 | Confident | 54 Ų | 54 | 51.8 Ų | 51.8 | 56% | 0.557 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.5 | -8.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | T137 V184 | T137-G139 PolarHBondContact O-N 3.19Å; G139-V184 PolarHBondContact N-O 3.45Å |
| 140 | G | 73.9 | Confident | 84.8 | Confident | 19 Ų | 19 | 48.8 Ų | 48.8 | 20% | 0.196 | 29% | 0.288 | C | S | . | . | trans | -72.9 | -156.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | T137 T138 K183 V184 | T137-G140 WeakPolarHBondContact O-CA 3.43Å; T137-G140 PolarHBondContact O-N 3.15Å; T138-G140 VanDerWaalsContact C-N 3.32Å; G140-K183 WeakPolarHBondContact O-CA 3.4Å; G140-K183 PolarHBondContact O-N 2.97Å; G140-V184 PolarHBondContact O-N 3.22Å | ||
| 141 | S | 77.8 | Confident | 84.4 | Confident | 45 Ų | 45 | 45.1 Ų | 45.1 | 32% | 0.315 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 137.6 | 175.6 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | I181 K251 | S141-I181 CarbonylContact C-O 3.58Å; S141-I181 WeakPolarHBondContact CA-O 3.11Å; S141-I181 WeakPolarHBondContact CB-O 3.43Å; S141-K251 PolarHBondContact OG-NZ 2.84Å |
| 142 | A | 83.5 | Confident | 83.8 | Confident | 3 Ų | 3 | 47 Ų | 47 | 3% | 0.025 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 153 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110 | V136 Q180 I181 V184 L210 | V136-A142 HydrophobicContact CG2-CB 4Å; A142-Q180 WeakPolarHBondContact O-CA 3.43Å; A142-I181 HydrophobicContact CB-CB 4.18Å; A142-I181 HydrophobicContact CB-CD1 4.27Å; A142-I181 HydrophobicContact CB-CG1 4.44Å; A142-I181 PolarHBondContact N-O 2.77Å; A142-I181 PolarHBondContact O-N 2.78Å; A142-V184 HydrophobicContact CB-CG2 4.24Å; A142-L210 HydrophobicContact CB-CD1 3.74Å; A142-L210 HydrophobicContact CB-CD2 4.25Å |
| 143 | R | 86 | Confident | 83.2 | Confident | 62 Ų | 62 | 49.6 Ų | 49.6 | 23% | 0.234 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 97.6 | 177.7 | 178.7 | -176.9 | 176.6 | -78.7 | 1 | 109.1 | Q134 E145 V178 L179 Q180 E243 | Q134-R143 PolarHBondContact NE2-O 2.97Å; Q134-R143 PolarHBondContact OE1-O 2.85Å; R143-E145 IonicContact CZ-OE2 3.16Å; R143-E145 IonicContact NH1-OE2 2.69Å; R143-E145 PolarHBondContact NH1-OE2 2.89Å; R143-E145 IonicContact NH2-OE1 3.58Å; R143-E145 IonicContact NH2-OE2 2.78Å; R143-E145 PolarHBondContact NH2-OE2 2.81Å; R143-V178 HydrophobicContact CG-CG1 3.73Å; R143-L179 CarbonylContact C-O 3.58Å; R143-L179 WeakPolarHBondContact CA-O 3.34Å; R143-Q180 HydrophobicContact CG-CG 4.29Å; R143-E243 IonicContact CZ-OE1 2.65Å; R143-E243 IonicContact CZ-OE2 3.79Å; R143-E243 IonicContact NE-OE1 3.35Å; R143-E243 PolarHBondContact NE-OE1 3.18Å; R143-E243 IonicContact NE-OE2 3.13Å; R143-E243 IonicContact NH2-OE1 2.71Å; R143-E243 IonicContact NH2-OE2 2.72Å; R143-E243 PolarHBondContact NH2-OE2 3.36Å |
| 144 | F | 89.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 139.8 | 169.7 | -63.1 | -76.3 | 0 | 0 | 0 | 109.6 | P131 S132 Q134 W158 V178 L179 I181 Y192 A208 L210 | P131-F144 HydrophobicContact CB-CB 4.49Å; P131-F144 HydrophobicContact CB-CD1 4.3Å; S132-F144 WeakPolarHBondContact O-CD1 3Å; S132-F144 WeakPolarHBondContact O-CE1 3.48Å; Q134-F144 HydrophobicContact CB-CE1 4.36Å; Q134-F144 HydrophobicContact CB-CZ 4.47Å; Q134-F144 HydrophobicContact CG-CD1 4.5Å; Q134-F144 HydrophobicContact CG-CE1 4.08Å; F144-W158 HydrophobicContact CB-CH2 3.37Å; F144-W158 HydrophobicContact CB-CZ2 4.01Å; F144-W158 HydrophobicContact CB-CZ3 3.7Å; F144-W158 HydrophobicContact CG-CH2 4.42Å; F144-W158 HydrophobicContact CG-CZ3 4.33Å; F144-V178 CarbonylContact O-C 3.57Å; F144-V178 WeakPolarHBondContact O-CA 3.44Å; F144-L179 HydrophobicContact CB-CB 4.45Å; F144-L179 HydrophobicContact CD2-CD2 4.32Å; F144-L179 PolarHBondContact N-O 2.81Å; F144-L179 PolarHBondContact O-N 3.37Å; F144-I181 HydrophobicContact CD2-CD1 4.4Å; F144-I181 HydrophobicContact CE2-CD1 4.15Å; F144-Y192 HydrophobicContact CD2-CD1 4.47Å; F144-Y192 HydrophobicContact CD2-CG 4.16Å; F144-Y192 HydrophobicContact CE2-CD1 4.3Å; F144-Y192 AromaticContact CE2-CD2 3.69Å; F144-Y192 HydrophobicContact CE2-CD2 3.69Å; F144-Y192 HydrophobicContact CE2-CE2 4.24Å; F144-Y192 AromaticContact CE2-CG 3.73Å; F144-Y192 HydrophobicContact CE2-CG 3.73Å; F144-Y192 HydrophobicContact CZ-CD2 4.02Å; F144-Y192 HydrophobicContact CZ-CG 4.3Å; F144-A208 HydrophobicContact CD1-CB 3.83Å; F144-A208 HydrophobicContact CE1-CB 3.63Å; F144-L210 HydrophobicContact CE2-CB 4.3Å; F144-L210 HydrophobicContact CZ-CB 3.9Å; F144-L210 HydrophobicContact CZ-CD1 4.26Å |
| 145 | E | 87.9 | Confident | 82.6 | Confident | 30 Ų | 30 | 49.2 Ų | 49.2 | 14% | 0.14 | 29% | 0.292 | C | S | . | . | trans | -119 | 147.5 | 175.8 | -176.5 | 149.3 | -155.2 | 0 | 0 | 108.6 | P131 R143 Q147 V178 | P131-E145 WeakPolarHBondContact CA-O 3.27Å; P131-E145 WeakPolarHBondContact CB-O 3.43Å; R143-E145 IonicContact CZ-OE2 3.16Å; R143-E145 IonicContact NH1-OE2 2.69Å; R143-E145 PolarHBondContact NH1-OE2 2.89Å; R143-E145 IonicContact NH2-OE1 3.58Å; R143-E145 IonicContact NH2-OE2 2.78Å; R143-E145 PolarHBondContact NH2-OE2 2.81Å; E145-Q147 HydrophobicContact CG-CG 4.25Å; E145-Q147 PolarHBondContact OE1-NE2 3.03Å; E145-V178 HydrophobicContact CB-CG2 4.42Å; E145-V178 HydrophobicContact CG-CG2 4.1Å | ||
| 146 | C | 88.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -152.2 | 115.7 | -179 | -177.5 | 0 | 0 | 0 | 0 | 107.5 | F127 E129 I156 W158 C194 | F127-C146 WeakPolarHBondContact CE1-SG 3.41Å; E129-C146 WeakPolarHBondContact O-CA 3.42Å; C146-I156 WeakPolarHBondContact O-CD1 3.43Å; C146-W158 HydrophobicContact CB-CH2 3.85Å; C146-W158 HydrophobicContact CB-CZ2 3.55Å; C146-C194 HydrophobicContact CB-CB 3.64Å; C146-C194 WeakPolarHBondContact CB-SG 2.95Å; C146-C194 WeakPolarHBondContact SG-CB 2.91Å; C146-C194 CovalentContact SG-SG 2.03Å; C146-C194 PolarHBondContact SG-SG 2.83Å | ||
| 147 | Q | 87 | Confident | 82.9 | Confident | 77 Ų | 77 | 47.7 Ų | 47.7 | 36% | 0.36 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 134.3 | 179 | -56.6 | -170.3 | 10.7 | 0 | 0 | 110.1 | F127 S128 E129 E145 | F127-Q147 CarbonylContact C-O 3.51Å; F127-Q147 WeakPolarHBondContact CA-O 3.15Å; S128-Q147 PolarHBondContact N-O 2.89Å; S128-Q147 WeakPolarHBondContact OG-CB 3.38Å; S128-Q147 PolarHBondContact OG-O 2.84Å; E129-Q147 HydrophobicContact CB-CB 3.85Å; E129-Q147 HydrophobicContact CB-CG 4.02Å; E129-Q147 PolarHBondContact N-O 2.92Å; E129-Q147 PolarHBondContact O-N 3.06Å; E129-Q147 PolarHBondContact OE2-NE2 3Å; E145-Q147 HydrophobicContact CG-CG 4.25Å; E145-Q147 PolarHBondContact OE1-NE2 3.03Å |
| 148 | I | 87.7 | Confident | 83.6 | Confident | 15 Ų | 15 | 45.7 Ų | 45.7 | 8% | 0.077 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 135.5 | -178.7 | -175.1 | 171 | 0 | 0 | 0 | 109.3 | L124 F127 P154 I156 A196 | L124-I148 HydrophobicContact CD1-CD1 4.01Å; L124-I148 HydrophobicContact CD1-CG1 4.27Å; L124-I148 HydrophobicContact CD2-CD1 4.32Å; L124-I148 HydrophobicContact CG-CD1 3.98Å; F127-I148 HydrophobicContact CD1-CB 3.75Å; F127-I148 HydrophobicContact CD1-CD1 4.07Å; F127-I148 HydrophobicContact CD1-CG1 4.31Å; F127-I148 HydrophobicContact CD1-CG2 4.32Å; F127-I148 HydrophobicContact CE1-CB 4.05Å; F127-I148 HydrophobicContact CE1-CD1 3.88Å; F127-I148 HydrophobicContact CE1-CG2 4.18Å; F127-I148 HydrophobicContact CG-CD1 4.5Å; F127-I148 HydrophobicContact CZ-CD1 4.19Å; I148-P154 HydrophobicContact CG2-CB 4.31Å; I148-P154 HydrophobicContact CG2-CG 3.69Å; I148-P154 VanDerWaalsContact O-CG 3.29Å; I148-P154 WeakPolarHBondContact O-CG 3.24Å; I148-I156 HydrophobicContact CG2-CD1 4.17Å; I148-I156 HydrophobicContact CG2-CG1 4.26Å; I148-A196 HydrophobicContact CD1-CB 3.85Å; I148-A196 HydrophobicContact CG2-CB 3.46Å; I148-A196 VanDerWaalsContact CG2-CB 3.46Å |
| 149 | E | 84.6 | Confident | 84.2 | Confident | 142 Ų | 142 | 44.5 Ų | 44.5 | 66% | 0.664 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 151.3 | 179.8 | -62.6 | -175.5 | 169 | 0 | 0 | 110.8 | S125 | S125-E149 WeakPolarHBondContact CB-O 3.31Å; S125-E149 PolarHBondContact N-O 2.88Å; S125-E149 PolarHBondContact OG-N 2.97Å; S125-E149 VanDerWaalsContact OG-N 3.12Å; S125-E149 PolarHBondContact OG-O 2.79Å |
| 150 | G | 81.3 | Confident | 85.1 | Confident | 19 Ų | 19 | 43.8 Ų | 43.8 | 20% | 0.196 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.9 | 157.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S123 P152 T153 | S123-G150 CarbonylContact O-C 3.48Å; S123-G150 VanDerWaalsContact O-CA 3.23Å; S123-G150 WeakPolarHBondContact O-CA 3.44Å; G150-P152 CarbonylContact C-O 3.59Å; G150-P152 CarbonylContact O-C 3.55Å; G150-T153 PolarHBondContact O-N 3.23Å |
| 151 | V | 81.6 | Confident | 85.4 | Confident | 43 Ų | 43 | 47.4 Ų | 47.4 | 26% | 0.261 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 112.2 | 173.8 | -178.7 | 0 | 0 | 0 | 0 | 107.1 | I35 L120 A122 S123 N198 | I35-V151 HydrophobicContact CD1-CG1 3.88Å; I35-V151 HydrophobicContact CG1-CG1 3.98Å; I35-V151 HydrophobicContact CG2-CG1 4.46Å; L120-V151 HydrophobicContact CB-CG1 4.1Å; L120-V151 HydrophobicContact CD1-CG1 4.13Å; A122-V151 CarbonylContact C-O 3.59Å; A122-V151 VanDerWaalsContact CA-O 3.28Å; A122-V151 WeakPolarHBondContact CA-O 3.28Å; S123-V151 PolarHBondContact N-O 2.74Å; S123-V151 PolarHBondContact O-N 2.76Å; V151-N198 PolarHBondContact O-ND2 2.77Å |
| 152 | P | 78.5 | Confident | 85.6 | Confident | 46 Ų | 46 | 52.8 Ų | 52.8 | 30% | 0.299 | 28% | 0.276 | S | S | . | . | S | Bend | cis | -68.5 | 166.1 | -5.5 | 29.8 | -31.5 | 0 | 0 | 0 | 111.6 | I35 G150 N198 S199 | I35-P152 HydrophobicContact CD1-CB 3.54Å; I35-P152 HydrophobicContact CD1-CG 4.05Å; G150-P152 CarbonylContact C-O 3.59Å; G150-P152 CarbonylContact O-C 3.55Å; P152-N198 HydrophobicContact CG-CB 4.21Å; P152-N198 PolarHBondContact O-ND2 2.84Å; P152-S199 WeakPolarHBondContact CD-OG 3.41Å |
| 153 | T | 79.5 | Confident | 85.8 | Confident | 125 Ų | 125 | 57.6 Ų | 57.6 | 77% | 0.767 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -48.3 | 123.2 | 175.5 | -46.8 | 0 | 0 | 0 | 0 | 110.3 | G150 | G150-T153 PolarHBondContact O-N 3.23Š|
| 154 | P | 82.6 | Confident | 85.9 | Confident | 16 Ų | 16 | 58.2 Ų | 58.2 | 10% | 0.104 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 142.5 | -172.1 | 25.2 | -31.6 | 0 | 0 | 0 | 112.7 | L124 I148 A196 S197 N198 | L124-P154 HydrophobicContact CD1-CB 3.61Å; L124-P154 HydrophobicContact CD1-CG 3.94Å; I148-P154 HydrophobicContact CG2-CB 4.31Å; I148-P154 HydrophobicContact CG2-CG 3.69Å; I148-P154 VanDerWaalsContact O-CG 3.29Å; I148-P154 WeakPolarHBondContact O-CG 3.24Å; P154-A196 HydrophobicContact CB-CB 4.49Å; P154-S197 CarbonylContact C-O 3.57Å; P154-S197 WeakPolarHBondContact CA-O 3.18Å; P154-N198 HydrophobicContact CB-CB 4.4Å |
| 155 | I | 84 | Confident | 85.9 | Confident | 119 Ų | 119 | 59.5 Ų | 59.5 | 61% | 0.61 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 119.7 | 170 | -58.1 | 175.6 | 0 | 0 | 0 | 107.4 | T157 A196 S197 | I155-T157 HydrophobicContact CG2-CG2 4.3Å; I155-A196 WeakPolarHBondContact O-CA 2.94Å; I155-S197 PolarHBondContact N-O 3.31Å; I155-S197 PolarHBondContact O-N 3.28Å; I155-S197 PolarHBondContact O-OG 2.85Å |
| 156 | I | 87.1 | Confident | 85.7 | Confident | 30 Ų | 30 | 63.4 Ų | 63.4 | 15% | 0.154 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 130.2 | 176.5 | -63.2 | 169.9 | 0 | 0 | 0 | 109 | C146 I148 C194 A196 | C146-I156 WeakPolarHBondContact O-CD1 3.43Å; I148-I156 HydrophobicContact CG2-CD1 4.17Å; I148-I156 HydrophobicContact CG2-CG1 4.26Å; I156-C194 VanDerWaalsContact CG2-SG 3.6Å; I156-A196 HydrophobicContact CG1-CB 4.38Å |
| 157 | T | 88.8 | Confident | 85.2 | Confident | 49 Ų | 49 | 68.3 Ų | 68.3 | 30% | 0.301 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 146.7 | 175.2 | 57 | 0 | 0 | 0 | 0 | 109.7 | I155 V195 | I155-T157 HydrophobicContact CG2-CG2 4.3Å; T157-V195 PolarHBondContact N-O 2.91Å; T157-V195 PolarHBondContact O-N 2.82Å; T157-V195 PolarHBondContact OG1-O 2.9Å |
| 158 | W | 92.3 | Very high | 84.9 | Confident | 3 Ų | 3 | 68.6 Ų | 68.6 | 1% | 0.011 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 142.7 | -179.8 | -72.2 | 91.5 | 0 | 0 | 0 | 111.4 | P131 F144 C146 T164 I165 G177 L179 R193 C194 | P131-W158 HydrophobicContact CB-CH2 3.91Å; P131-W158 HydrophobicContact CB-CZ3 4.23Å; P131-W158 HydrophobicContact CG-CH2 4.42Å; F144-W158 HydrophobicContact CB-CH2 3.37Å; F144-W158 HydrophobicContact CB-CZ2 4.01Å; F144-W158 HydrophobicContact CB-CZ3 3.7Å; F144-W158 HydrophobicContact CG-CH2 4.42Å; F144-W158 HydrophobicContact CG-CZ3 4.33Å; C146-W158 HydrophobicContact CB-CH2 3.85Å; C146-W158 HydrophobicContact CB-CZ2 3.55Å; W158-T164 WeakPolarHBondContact O-CA 3.33Å; W158-I165 HydrophobicContact CB-CB 4.5Å; W158-I165 HydrophobicContact CB-CD1 4.04Å; W158-I165 PolarHBondContact O-N 2.98Å; W158-G177 WeakPolarHBondContact CZ2-O 3.27Å; W158-G177 PolarHBondContact NE1-O 3.04Å; W158-L179 HydrophobicContact CB-CD1 4.45Å; W158-L179 HydrophobicContact CB-CD2 4.01Å; W158-L179 HydrophobicContact CD2-CB 3.66Å; W158-L179 HydrophobicContact CD2-CD2 3.92Å; W158-L179 HydrophobicContact CD2-CG 4.37Å; W158-L179 HydrophobicContact CE3-CB 4.31Å; W158-L179 HydrophobicContact CE3-CD2 3.99Å; W158-L179 HydrophobicContact CG-CB 3.77Å; W158-L179 HydrophobicContact CG-CD1 4.41Å; W158-L179 HydrophobicContact CG-CD2 3.94Å; W158-L179 HydrophobicContact CG-CG 4.26Å; W158-L179 HydrophobicContact CZ2-CB 4.11Å; W158-R193 WeakPolarHBondContact CA-O 3.4Å; W158-C194 HydrophobicContact CD2-CB 4.45Å; W158-C194 HydrophobicContact CE3-CB 4.14Å; W158-C194 HydrophobicContact CH2-CB 3.83Å; W158-C194 HydrophobicContact CZ2-CB 4.16Å; W158-C194 HydrophobicContact CZ3-CB 3.82Å |
| 159 | Q | 93.1 | Very high | 84.1 | Confident | 38 Ų | 38 | 74 Ų | 74 | 18% | 0.178 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 139 | 175.7 | -55 | -177 | -29.4 | 0 | 0 | 110.1 | V163 Y192 R193 V195 | Q159-V163 CarbonylContact C-O 3.54Å; Q159-V163 WeakPolarHBondContact CA-O 3.41Å; Q159-Y192 CarbonylContact O-C 3.52Å; Q159-Y192 WeakPolarHBondContact O-CA 3.33Å; Q159-R193 HydrophobicContact CB-CB 4.32Å; Q159-R193 PolarHBondContact N-O 3.07Å; Q159-R193 PolarHBondContact O-N 2.82Å; Q159-V195 HydrophobicContact CG-CG2 4.14Å |
| 160 | K | 91.4 | Very high | 83.9 | Confident | 39 Ų | 39 | 70.3 Ų | 70.3 | 17% | 0.17 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 126.3 | 165.9 | -170.6 | -169.8 | -171 | -78.5 | 0 | 107.6 | Q162 V163 I165 E187 D188 E189 Y192 | K160-Q162 PolarHBondContact O-N 2.76Å; K160-Q162 VanDerWaalsContact O-N 3.15Å; K160-V163 PolarHBondContact N-O 3.19Å; K160-V163 PolarHBondContact O-N 3.47Å; K160-I165 HydrophobicContact CB-CD1 4.08Å; K160-I165 HydrophobicContact CB-CG1 4.15Å; K160-E187 PolarHBondContact NZ-O 2.87Å; K160-D188 WeakPolarHBondContact CE-O 3.42Å; K160-E189 PolarHBondContact NZ-O 3.04Å; K160-Y192 HydrophobicContact CB-CD1 4.27Å; K160-Y192 HydrophobicContact CB-CE1 3.94Å; K160-Y192 HydrophobicContact CD-CE1 4.16Å; K160-Y192 HydrophobicContact CD-CE2 4.38Å; K160-Y192 WeakPolarHBondContact CD-OH 3.47Å; K160-Y192 VanDerWaalsContact CE-OH 3.32Å; K160-Y192 WeakPolarHBondContact CE-OH 3.24Å; K160-Y192 HydrophobicContact CG-CD1 4.44Å; K160-Y192 HydrophobicContact CG-CE1 3.94Å; K160-Y192 HydrophobicContact CG-CE2 4.21Å |
| 161 | D | 81.1 | Confident | 84.1 | Confident | 95 Ų | 95 | 70.6 Ų | 70.6 | 51% | 0.508 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 41.2 | 176.6 | -50.1 | -43.9 | 0 | 0 | 0 | 113 | V163 L191 | D161-V163 VanDerWaalsContact C-N 3.29Å; D161-V163 PolarHBondContact O-N 3.42Å; D161-L191 PolarHBondContact N-O 3.31Å; D161-L191 VanDerWaalsContact N-O 3.16Å; D161-L191 PolarHBondContact OD1-N 3.18Å |
| 162 | Q | 81.7 | Confident | 84.1 | Confident | 158 Ų | 158 | 69 Ų | 69 | 74% | 0.738 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | 2.3 | -174.1 | -51.4 | -172.7 | 15.2 | 0 | 0 | 117.4 | K160 | K160-Q162 PolarHBondContact O-N 2.76Å; K160-Q162 VanDerWaalsContact O-N 3.15Å |
| 163 | V | 87.3 | Confident | 84.3 | Confident | 104 Ų | 104 | 68 Ų | 68 | 63% | 0.63 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 127.5 | 174 | -176.6 | 0 | 0 | 0 | 0 | 110.1 | Q159 K160 D161 I165 | Q159-V163 CarbonylContact C-O 3.54Å; Q159-V163 WeakPolarHBondContact CA-O 3.41Å; K160-V163 PolarHBondContact N-O 3.19Å; K160-V163 PolarHBondContact O-N 3.47Å; D161-V163 VanDerWaalsContact C-N 3.29Å; D161-V163 PolarHBondContact O-N 3.42Å; V163-I165 PolarHBondContact O-N 3.03Å |
| 164 | T | 88 | Confident | 84.3 | Confident | 75 Ų | 75 | 62.3 Ų | 62.3 | 46% | 0.46 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 127.6 | 175.5 | -54.3 | 0 | 0 | 0 | 0 | 111.1 | W158 | W158-T164 WeakPolarHBondContact O-CA 3.33Å |
| 165 | I | 88.9 | Confident | 84 | Confident | 27 Ų | 27 | 65.8 Ų | 65.8 | 14% | 0.138 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 128 | 177.3 | -57.5 | 177 | 0 | 0 | 0 | 108.3 | W158 K160 V163 F171 L179 Y192 | W158-I165 HydrophobicContact CB-CB 4.5Å; W158-I165 HydrophobicContact CB-CD1 4.04Å; W158-I165 PolarHBondContact O-N 2.98Å; K160-I165 HydrophobicContact CB-CD1 4.08Å; K160-I165 HydrophobicContact CB-CG1 4.15Å; V163-I165 PolarHBondContact O-N 3.03Å; I165-F171 HydrophobicContact CD1-CD1 4.43Å; I165-F171 HydrophobicContact CG2-CB 3.67Å; I165-F171 HydrophobicContact CG2-CD1 3.85Å; I165-F171 HydrophobicContact CG2-CG 3.82Å; I165-L179 HydrophobicContact CD1-CD1 4.45Å; I165-L179 HydrophobicContact CD1-CD2 3.7Å; I165-L179 HydrophobicContact CG2-CD1 4.48Å; I165-Y192 HydrophobicContact CD1-CD1 3.73Å; I165-Y192 HydrophobicContact CD1-CE1 3.63Å |
| 166 | T | 84 | Confident | 83.6 | Confident | 112 Ų | 112 | 63.1 Ų | 63.1 | 69% | 0.687 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -98.7 | 137.8 | 171.2 | 53.1 | 0 | 0 | 0 | 0 | 110 | D168 | T166-D168 PolarHBondContact O-N 3.02Š|
| 167 | D | 78.4 | Confident | 83.4 | Confident | 102 Ų | 102 | 61.7 Ų | 61.7 | 55% | 0.545 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 132 | 179.1 | -65.3 | -32.4 | 0 | 0 | 0 | 112.5 | F171 S173 | D167-F171 WeakPolarHBondContact CA-O 3.37Å; D167-S173 WeakPolarHBondContact OD1-CA 3.46Å; D167-S173 WeakPolarHBondContact OD1-CB 3.38Å; D167-S173 PolarHBondContact OD1-N 2.92Å |
| 168 | D | 80.1 | Confident | 83.2 | Confident | 84 Ų | 84 | 59.3 Ų | 59.3 | 45% | 0.449 | 33% | 0.325 | S | S | . | . | trans | -143.5 | -159.5 | 173.8 | 83.6 | -7.4 | 0 | 0 | 0 | 111.7 | T166 R170 F171 | T166-D168 PolarHBondContact O-N 3.02Å; D168-R170 VanDerWaalsContact C-N 3.27Å; D168-R170 PolarHBondContact O-N 3.06Å; D168-R170 WeakPolarHBondContact OD1-CA 3.39Å; D168-R170 PolarHBondContact OD1-N 3.29Å; D168-F171 PolarHBondContact N-O 2.83Å; D168-F171 PolarHBondContact OD1-N 3.04Å | ||
| 169 | T | 71.4 | Confident | 83 | Confident | 128 Ų | 128 | 59.2 Ų | 59.2 | 79% | 0.785 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -77.2 | -8 | 179.4 | 64.9 | 0 | 0 | 0 | 0 | 114.6 | ||
| 170 | R | 81.3 | Confident | 82.6 | Confident | 65 Ų | 65 | 57.8 Ų | 57.8 | 25% | 0.245 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -115.9 | -45.1 | 178.6 | -56.7 | -162.3 | -52.3 | 122.7 | -2.2 | 112.3 | D168 I181 L182 D188 | D168-R170 VanDerWaalsContact C-N 3.27Å; D168-R170 PolarHBondContact O-N 3.06Å; D168-R170 WeakPolarHBondContact OD1-CA 3.39Å; D168-R170 PolarHBondContact OD1-N 3.29Å; R170-I181 CarbonylContact O-C 3.58Å; R170-I181 WeakPolarHBondContact O-CA 3.34Å; R170-L182 PolarHBondContact O-N 3.23Å; R170-D188 IonicContact CZ-OD1 3.51Å; R170-D188 IonicContact CZ-OD2 3.59Å; R170-D188 VanDerWaalsContact NH1-CG 3.3Å; R170-D188 IonicContact NH1-OD1 3.47Å; R170-D188 PolarHBondContact NH1-OD1 2.85Å; R170-D188 VanDerWaalsContact NH1-OD1 3.07Å; R170-D188 IonicContact NH1-OD2 3.1Å; R170-D188 PolarHBondContact NH1-OD2 2.89Å; R170-D188 IonicContact NH2-OD1 3.42Å; R170-D188 PolarHBondContact NH2-OD1 3.25Å; R170-D188 IonicContact NH2-OD2 2.7Å |
| 171 | F | 84.9 | Confident | 82.4 | Confident | 25 Ų | 25 | 55.9 Ų | 55.9 | 11% | 0.11 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 119.3 | 177.6 | -66.1 | -82.6 | 0 | 0 | 0 | 109.8 | I165 D167 D168 I181 D188 Y192 | I165-F171 HydrophobicContact CD1-CD1 4.43Å; I165-F171 HydrophobicContact CG2-CB 3.67Å; I165-F171 HydrophobicContact CG2-CD1 3.85Å; I165-F171 HydrophobicContact CG2-CG 3.82Å; D167-F171 WeakPolarHBondContact CA-O 3.37Å; D168-F171 PolarHBondContact N-O 2.83Å; D168-F171 PolarHBondContact OD1-N 3.04Å; F171-I181 HydrophobicContact CD1-CB 4.5Å; F171-I181 HydrophobicContact CD1-CD1 4.35Å; F171-I181 HydrophobicContact CD1-CG1 3.9Å; F171-I181 HydrophobicContact CD1-CG2 4.09Å; F171-I181 HydrophobicContact CE1-CB 4.44Å; F171-I181 HydrophobicContact CE1-CD1 3.95Å; F171-I181 HydrophobicContact CE1-CG1 3.93Å; F171-I181 HydrophobicContact CE1-CG2 3.72Å; F171-I181 HydrophobicContact CZ-CG2 4.19Å; F171-D188 WeakPolarHBondContact CZ-OD1 3Å; F171-Y192 HydrophobicContact CE1-CE1 4.25Å |
| 172 | I | 81.1 | Confident | 82.3 | Confident | 8 Ų | 8 | 52.3 Ų | 52.3 | 4% | 0.041 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 102 | -178.5 | -58.3 | 169.4 | 0 | 0 | 0 | 107.7 | L174 Q180 L182 L271 A272 | I172-L174 HydrophobicContact CG2-CD2 3.76Å; I172-L174 HydrophobicContact CG2-CG 4.37Å; I172-Q180 HydrophobicContact CB-CB 4.41Å; I172-Q180 PolarHBondContact N-O 2.78Å; I172-Q180 PolarHBondContact O-N 2.9Å; I172-L182 HydrophobicContact CD1-CD1 3.68Å; I172-L182 HydrophobicContact CD1-CG 4.42Å; I172-L271 HydrophobicContact CD1-CB 4.38Å; I172-L271 HydrophobicContact CG2-CB 4.2Å; I172-L271 HydrophobicContact CG2-CD1 4.11Å; I172-A272 HydrophobicContact CD1-CB 3.83Å |
| 173 | S | 83.5 | Confident | 82.2 | Confident | 27 Ų | 27 | 52.2 Ų | 52.2 | 19% | 0.189 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 127.2 | 167.8 | -168.9 | 0 | 0 | 0 | 0 | 109.4 | D167 | D167-S173 WeakPolarHBondContact OD1-CA 3.46Å; D167-S173 WeakPolarHBondContact OD1-CB 3.38Å; D167-S173 PolarHBondContact OD1-N 2.92Å |
| 174 | L | 80.3 | Confident | 82.1 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | trans | -103.6 | 145.1 | 178.3 | -61.3 | 179.6 | 0 | 0 | 0 | 110.9 | I172 N176 G177 V178 V241 N274 V276 | I172-L174 HydrophobicContact CG2-CD2 3.76Å; I172-L174 HydrophobicContact CG2-CG 4.37Å; L174-N176 WeakPolarHBondContact CB-OD1 3.01Å; L174-N176 PolarHBondContact O-N 3.43Å; L174-G177 PolarHBondContact O-N 2.94Å; L174-V178 HydrophobicContact CB-CB 4.37Å; L174-V178 HydrophobicContact CD1-CB 4.09Å; L174-V178 HydrophobicContact CD1-CG1 4.31Å; L174-V178 PolarHBondContact N-O 2.82Å; L174-V241 HydrophobicContact CD1-CG1 4.17Å; L174-V241 HydrophobicContact CD2-CG1 4.41Å; L174-N274 HydrophobicContact CD1-CB 4.47Å; L174-N274 VanDerWaalsContact CD1-ND2 3.27Å; L174-N274 WeakPolarHBondContact CD1-ND2 3.45Å; L174-V276 HydrophobicContact CD2-CG2 4.19Å | ||
| 175 | P | 75.9 | Confident | 82.1 | Confident | 89 Ų | 89 | 45.9 Ų | 45.9 | 58% | 0.578 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -20.4 | 173.9 | -30.3 | 34 | 0 | 0 | 0 | 116.3 | G177 V241 | P175-G177 PolarHBondContact O-N 3.3Å; P175-V241 HydrophobicContact CB-CG2 4.13Å; P175-V241 HydrophobicContact CG-CG2 3.97Å |
| 176 | N | 75.8 | Confident | 81.9 | Confident | 63 Ų | 63 | 49.7 Ų | 49.7 | 34% | 0.337 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 10.9 | 174.5 | 71.3 | -25.8 | 0 | 0 | 0 | 113.6 | L174 | L174-N176 WeakPolarHBondContact CB-OD1 3.01Å; L174-N176 PolarHBondContact O-N 3.43Å |
| 177 | G | 81.9 | Confident | 82.1 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | S | Bend | trans | 88.8 | -1.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | W158 L174 P175 | W158-G177 WeakPolarHBondContact CZ2-O 3.27Å; W158-G177 PolarHBondContact NE1-O 3.04Å; L174-G177 PolarHBondContact O-N 2.94Å; P175-G177 PolarHBondContact O-N 3.3Å |
| 178 | V | 85.8 | Confident | 82.6 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -83.9 | 133.4 | -179.6 | 177.4 | 0 | 0 | 0 | 0 | 111.6 | R143 F144 E145 L174 Q180 | R143-V178 HydrophobicContact CG-CG1 3.73Å; F144-V178 CarbonylContact O-C 3.57Å; F144-V178 WeakPolarHBondContact O-CA 3.44Å; E145-V178 HydrophobicContact CB-CG2 4.42Å; E145-V178 HydrophobicContact CG-CG2 4.1Å; L174-V178 HydrophobicContact CB-CB 4.37Å; L174-V178 HydrophobicContact CD1-CB 4.09Å; L174-V178 HydrophobicContact CD1-CG1 4.31Å; L174-V178 PolarHBondContact N-O 2.82Å; V178-Q180 HydrophobicContact CG1-CG 4.03Å | ||
| 179 | L | 87.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 115.9 | 166.8 | 175.5 | 68.8 | 0 | 0 | 0 | 110 | R143 F144 W158 I165 I181 Y192 | R143-L179 CarbonylContact C-O 3.58Å; R143-L179 WeakPolarHBondContact CA-O 3.34Å; F144-L179 HydrophobicContact CB-CB 4.45Å; F144-L179 HydrophobicContact CD2-CD2 4.32Å; F144-L179 PolarHBondContact N-O 2.81Å; F144-L179 PolarHBondContact O-N 3.37Å; W158-L179 HydrophobicContact CB-CD1 4.45Å; W158-L179 HydrophobicContact CB-CD2 4.01Å; W158-L179 HydrophobicContact CD2-CB 3.66Å; W158-L179 HydrophobicContact CD2-CD2 3.92Å; W158-L179 HydrophobicContact CD2-CG 4.37Å; W158-L179 HydrophobicContact CE3-CB 4.31Å; W158-L179 HydrophobicContact CE3-CD2 3.99Å; W158-L179 HydrophobicContact CG-CB 3.77Å; W158-L179 HydrophobicContact CG-CD1 4.41Å; W158-L179 HydrophobicContact CG-CD2 3.94Å; W158-L179 HydrophobicContact CG-CG 4.26Å; W158-L179 HydrophobicContact CZ2-CB 4.11Å; I165-L179 HydrophobicContact CD1-CD1 4.45Å; I165-L179 HydrophobicContact CD1-CD2 3.7Å; I165-L179 HydrophobicContact CG2-CD1 4.48Å; L179-I181 HydrophobicContact CD2-CD1 4.31Å; L179-I181 HydrophobicContact CD2-CG1 4.34Å; L179-I181 HydrophobicContact CG-CG1 4.21Å; L179-Y192 HydrophobicContact CD2-CD1 3.68Å; L179-Y192 HydrophobicContact CD2-CE1 4.05Å |
| 180 | Q | 84.1 | Confident | 84.1 | Confident | 8 Ų | 8 | 39.7 Ų | 39.7 | 4% | 0.037 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 135.1 | 169.4 | -61.5 | -171 | -1.1 | 0 | 0 | 110.7 | A142 R143 I172 V178 E243 T273 N274 | A142-Q180 WeakPolarHBondContact O-CA 3.43Å; R143-Q180 HydrophobicContact CG-CG 4.29Å; I172-Q180 HydrophobicContact CB-CB 4.41Å; I172-Q180 PolarHBondContact N-O 2.78Å; I172-Q180 PolarHBondContact O-N 2.9Å; V178-Q180 HydrophobicContact CG1-CG 4.03Å; Q180-E243 PolarHBondContact NE2-OE1 3.08Å; Q180-T273 PolarHBondContact OE1-OG1 2.91Å; Q180-N274 VanDerWaalsContact CD-ND2 3.35Å; Q180-N274 PolarHBondContact NE2-ND2 2.94Å; Q180-N274 PolarHBondContact OE1-ND2 3.25Å |
| 181 | I | 87.6 | Confident | 84.7 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 119.7 | 175.6 | -47.9 | 173.8 | 0 | 0 | 0 | 108.3 | S141 A142 F144 R170 F171 L179 V184 Y192 L210 | S141-I181 CarbonylContact C-O 3.58Å; S141-I181 WeakPolarHBondContact CA-O 3.11Å; S141-I181 WeakPolarHBondContact CB-O 3.43Å; A142-I181 HydrophobicContact CB-CB 4.18Å; A142-I181 HydrophobicContact CB-CD1 4.27Å; A142-I181 HydrophobicContact CB-CG1 4.44Å; A142-I181 PolarHBondContact N-O 2.77Å; A142-I181 PolarHBondContact O-N 2.78Å; F144-I181 HydrophobicContact CD2-CD1 4.4Å; F144-I181 HydrophobicContact CE2-CD1 4.15Å; R170-I181 CarbonylContact O-C 3.58Å; R170-I181 WeakPolarHBondContact O-CA 3.34Å; F171-I181 HydrophobicContact CD1-CB 4.5Å; F171-I181 HydrophobicContact CD1-CD1 4.35Å; F171-I181 HydrophobicContact CD1-CG1 3.9Å; F171-I181 HydrophobicContact CD1-CG2 4.09Å; F171-I181 HydrophobicContact CE1-CB 4.44Å; F171-I181 HydrophobicContact CE1-CD1 3.95Å; F171-I181 HydrophobicContact CE1-CG1 3.93Å; F171-I181 HydrophobicContact CE1-CG2 3.72Å; F171-I181 HydrophobicContact CZ-CG2 4.19Å; L179-I181 HydrophobicContact CD2-CD1 4.31Å; L179-I181 HydrophobicContact CD2-CG1 4.34Å; L179-I181 HydrophobicContact CG-CG1 4.21Å; I181-V184 HydrophobicContact CB-CG2 4.25Å; I181-V184 HydrophobicContact CG2-CG2 3.99Å; I181-Y192 HydrophobicContact CD1-CD1 4.27Å; I181-Y192 HydrophobicContact CD1-CE1 3.53Å; I181-Y192 HydrophobicContact CD1-CE2 4.21Å; I181-Y192 VanDerWaalsContact CD1-CZ 3.49Å; I181-L210 HydrophobicContact CD1-CD2 4.2Å |
| 182 | L | 78.6 | Confident | 85.2 | Confident | 20 Ų | 20 | 38.7 Ų | 38.7 | 11% | 0.105 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 142.1 | -174.6 | -52.8 | 177.2 | 0 | 0 | 0 | 111.7 | R170 I172 A272 | R170-L182 PolarHBondContact O-N 3.23Å; I172-L182 HydrophobicContact CD1-CD1 3.68Å; I172-L182 HydrophobicContact CD1-CG 4.42Å; L182-A272 HydrophobicContact CD1-CB 3.41Å; L182-A272 VanDerWaalsContact CD1-CB 3.41Å |
| 183 | K | 78.8 | Confident | 85.7 | Confident | 156 Ų | 156 | 41.8 Ų | 41.8 | 68% | 0.678 | 21% | 0.21 | S | C | * | . | S | Bend | trans | 56.2 | 53.2 | -176.9 | -54.6 | 175.8 | -178.2 | 172.7 | 0 | 111.3 | G140 T185 | G140-K183 WeakPolarHBondContact O-CA 3.4Å; G140-K183 PolarHBondContact O-N 2.97Å; K183-T185 PolarHBondContact O-N 2.88Å |
| 184 | V | 85.9 | Confident | 86.2 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | trans | -54.2 | 122.5 | -176.1 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | V136 T138 G139 G140 A142 I181 D188 L210 V212 | V136-V184 HydrophobicContact CG1-CB 4.21Å; V136-V184 HydrophobicContact CG1-CG1 4.43Å; V136-V184 HydrophobicContact CG1-CG2 4.14Å; T138-V184 CarbonylContact C-O 3.58Å; T138-V184 WeakPolarHBondContact CA-O 3.33Å; G139-V184 PolarHBondContact N-O 3.45Å; G140-V184 PolarHBondContact O-N 3.22Å; A142-V184 HydrophobicContact CB-CG2 4.24Å; I181-V184 HydrophobicContact CB-CG2 4.25Å; I181-V184 HydrophobicContact CG2-CG2 3.99Å; V184-D188 WeakPolarHBondContact CA-OD2 3.46Å; V184-D188 HydrophobicContact CG1-CB 4.25Å; V184-L210 HydrophobicContact CG1-CD2 4.13Å; V184-V212 HydrophobicContact CG1-CG1 4.09Å; V184-V212 HydrophobicContact CG1-CG2 3.6Å | ||
| 185 | T | 87.8 | Confident | 86.6 | Confident | 45 Ų | 45 | 40.7 Ų | 40.7 | 28% | 0.276 | 20% | 0.203 | S | C | . | . | trans | -101.6 | 175.7 | 174.5 | 71.9 | 0 | 0 | 0 | 0 | 110.8 | K183 E187 D188 | K183-T185 PolarHBondContact O-N 2.88Å; T185-E187 VanDerWaalsContact C-N 3.25Å; T185-E187 WeakPolarHBondContact CB-OE2 3.38Å; T185-E187 PolarHBondContact O-N 2.74Å; T185-E187 PolarHBondContact OG1-N 2.88Å; T185-E187 PolarHBondContact OG1-OE2 3.34Å; T185-D188 PolarHBondContact N-OD2 3.19Å; T185-D188 PolarHBondContact O-N 3.43Å; T185-D188 PolarHBondContact OG1-OD2 2.83Å | ||
| 186 | K | 85.4 | Confident | 87.2 | Confident | 106 Ų | 106 | 36.5 Ų | 36.5 | 46% | 0.461 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -70.8 | -23.2 | 176.5 | -168 | 54.4 | 167.1 | 175.2 | 0 | 112.3 | D188 E189 V212 | K186-D188 VanDerWaalsContact C-N 3.31Å; K186-E189 IonicContact NZ-OE2 3.83Å; K186-E189 PolarHBondContact NZ-OE2 3.49Å; K186-E189 WeakPolarHBondContact O-CB 3.49Å; K186-E189 PolarHBondContact O-N 2Å; K186-V212 HydrophobicContact CD-CB 4.02Å; K186-V212 HydrophobicContact CD-CG1 4.31Å; K186-V212 PolarHBondContact NZ-O 3.35Å |
| 187 | E | 87.6 | Confident | 87.6 | Confident | 146 Ų | 146 | 34.9 Ų | 34.9 | 68% | 0.682 | 17% | 0.169 | S | C | * | . | G | 310 helix | trans | -72.2 | -23.3 | 174.3 | -53.2 | 81.7 | -139.2 | 0 | 0 | 113 | K160 T185 E189 | K160-E187 PolarHBondContact NZ-O 2.87Å; T185-E187 VanDerWaalsContact C-N 3.25Å; T185-E187 WeakPolarHBondContact CB-OE2 3.38Å; T185-E187 PolarHBondContact O-N 2.74Å; T185-E187 PolarHBondContact OG1-N 2.88Å; T185-E187 PolarHBondContact OG1-OE2 3.34Å; E187-E189 PolarHBondContact O-N 2.84Å |
| 188 | D | 90 | Very high | 87.6 | Confident | 6 Ų | 6 | 35.9 Ų | 35.9 | 3% | 0.032 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -74 | -9.9 | 175.8 | -58.5 | -40.5 | 0 | 0 | 0 | 112.1 | K160 R170 F171 V184 T185 K186 G190 Y192 L210 | K160-D188 WeakPolarHBondContact CE-O 3.42Å; R170-D188 IonicContact CZ-OD1 3.51Å; R170-D188 IonicContact CZ-OD2 3.59Å; R170-D188 VanDerWaalsContact NH1-CG 3.3Å; R170-D188 IonicContact NH1-OD1 3.47Å; R170-D188 PolarHBondContact NH1-OD1 2.85Å; R170-D188 VanDerWaalsContact NH1-OD1 3.07Å; R170-D188 IonicContact NH1-OD2 3.1Å; R170-D188 PolarHBondContact NH1-OD2 2.89Å; R170-D188 IonicContact NH2-OD1 3.42Å; R170-D188 PolarHBondContact NH2-OD1 3.25Å; R170-D188 IonicContact NH2-OD2 2.7Å; F171-D188 WeakPolarHBondContact CZ-OD1 3Å; V184-D188 WeakPolarHBondContact CA-OD2 3.46Å; V184-D188 HydrophobicContact CG1-CB 4.25Å; T185-D188 PolarHBondContact N-OD2 3.19Å; T185-D188 PolarHBondContact O-N 3.43Å; T185-D188 PolarHBondContact OG1-OD2 2.83Å; K186-D188 VanDerWaalsContact C-N 3.31Å; D188-G190 PolarHBondContact O-N 3.22Å; D188-Y192 WeakPolarHBondContact O-CE2 3.2Å; D188-Y192 PolarHBondContact O-OH 2.87Å; D188-L210 HydrophobicContact CB-CD2 4.41Å |
| 189 | E | 91.8 | Very high | 87.1 | Confident | 51 Ų | 51 | 38.1 Ų | 38.1 | 24% | 0.238 | 19% | 0.19 | C | C | . | . | trans | -60.4 | 137 | 173.4 | -162.2 | 174.8 | 129.4 | 0 | 0 | 111.1 | K160 K186 E187 R209 L210 V212 | K160-E189 PolarHBondContact NZ-O 3.04Å; K186-E189 IonicContact NZ-OE2 3.83Å; K186-E189 PolarHBondContact NZ-OE2 3.49Å; K186-E189 WeakPolarHBondContact O-CB 3.49Å; K186-E189 PolarHBondContact O-N 2Å; E187-E189 PolarHBondContact O-N 2.84Å; E189-R209 IonicContact OE1-NH2 3.5Å; E189-L210 WeakPolarHBondContact CG-O 3.34Å; E189-V212 HydrophobicContact CB-CB 4.4Å; E189-V212 HydrophobicContact CB-CG2 3.93Å; E189-V212 HydrophobicContact CG-CG2 4.39Å; E189-V212 PolarHBondContact OE2-N 2.83Å; E189-V212 VanDerWaalsContact OE2-N 3.08Å | ||
| 190 | G | 91 | Very high | 86.2 | Confident | 13 Ų | 13 | 39 Ų | 39 | 13% | 0.134 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.4 | -171.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | D188 L210 | D188-G190 PolarHBondContact O-N 3.22Å; G190-L210 PolarHBondContact O-N 3.02Å |
| 191 | L | 93.1 | Very high | 85.2 | Confident | 70 Ų | 70 | 43.9 Ų | 43.9 | 37% | 0.366 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 124.3 | 175.1 | -167.3 | 70.8 | 0 | 0 | 0 | 109.6 | D161 E207 R209 | D161-L191 PolarHBondContact N-O 3.31Å; D161-L191 VanDerWaalsContact N-O 3.16Å; D161-L191 PolarHBondContact OD1-N 3.18Å; L191-E207 HydrophobicContact CD1-CB 4.25Å; L191-E207 HydrophobicContact CD2-CB 4.5Å; L191-E207 WeakPolarHBondContact CD2-OE1 3.19Å; L191-E207 HydrophobicContact CG-CB 4.34Å; L191-R209 HydrophobicContact CD1-CB 4.39Å |
| 192 | Y | 94.6 | Very high | 84 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122 | 179.4 | -73.5 | -94.5 | 0 | 0 | 0 | 109.3 | F144 Q159 K160 I165 F171 L179 I181 D188 E207 A208 L210 | F144-Y192 HydrophobicContact CD2-CD1 4.47Å; F144-Y192 HydrophobicContact CD2-CG 4.16Å; F144-Y192 HydrophobicContact CE2-CD1 4.3Å; F144-Y192 AromaticContact CE2-CD2 3.69Å; F144-Y192 HydrophobicContact CE2-CD2 3.69Å; F144-Y192 HydrophobicContact CE2-CE2 4.24Å; F144-Y192 AromaticContact CE2-CG 3.73Å; F144-Y192 HydrophobicContact CE2-CG 3.73Å; F144-Y192 HydrophobicContact CZ-CD2 4.02Å; F144-Y192 HydrophobicContact CZ-CG 4.3Å; Q159-Y192 CarbonylContact O-C 3.52Å; Q159-Y192 WeakPolarHBondContact O-CA 3.33Å; K160-Y192 HydrophobicContact CB-CD1 4.27Å; K160-Y192 HydrophobicContact CB-CE1 3.94Å; K160-Y192 HydrophobicContact CD-CE1 4.16Å; K160-Y192 HydrophobicContact CD-CE2 4.38Å; K160-Y192 WeakPolarHBondContact CD-OH 3.47Å; K160-Y192 VanDerWaalsContact CE-OH 3.32Å; K160-Y192 WeakPolarHBondContact CE-OH 3.24Å; K160-Y192 HydrophobicContact CG-CD1 4.44Å; K160-Y192 HydrophobicContact CG-CE1 3.94Å; K160-Y192 HydrophobicContact CG-CE2 4.21Å; I165-Y192 HydrophobicContact CD1-CD1 3.73Å; I165-Y192 HydrophobicContact CD1-CE1 3.63Å; F171-Y192 HydrophobicContact CE1-CE1 4.25Å; L179-Y192 HydrophobicContact CD2-CD1 3.68Å; L179-Y192 HydrophobicContact CD2-CE1 4.05Å; I181-Y192 HydrophobicContact CD1-CD1 4.27Å; I181-Y192 HydrophobicContact CD1-CE1 3.53Å; I181-Y192 HydrophobicContact CD1-CE2 4.21Å; I181-Y192 VanDerWaalsContact CD1-CZ 3.49Å; D188-Y192 WeakPolarHBondContact O-CE2 3.2Å; D188-Y192 PolarHBondContact O-OH 2.87Å; Y192-E207 WeakPolarHBondContact O-CA 3.31Å; Y192-A208 PolarHBondContact N-O 2.87Å; Y192-A208 PolarHBondContact O-N 2.97Å; Y192-L210 HydrophobicContact CD2-CB 3.99Å; Y192-L210 HydrophobicContact CE2-CB 3.74Å; Y192-L210 HydrophobicContact CE2-CD2 4.02Å |
| 193 | R | 93.1 | Very high | 84 | Confident | 73 Ų | 73 | 57.6 Ų | 57.6 | 28% | 0.275 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 123.4 | 179.3 | 179.5 | -178.3 | -68.3 | -147.6 | -4.2 | 109.7 | W158 Q159 V195 S206 E207 | W158-R193 WeakPolarHBondContact CA-O 3.4Å; Q159-R193 HydrophobicContact CB-CB 4.32Å; Q159-R193 PolarHBondContact N-O 3.07Å; Q159-R193 PolarHBondContact O-N 2.82Å; R193-V195 HydrophobicContact CG-CG2 3.77Å; R193-S206 WeakPolarHBondContact CA-O 3.33Å; R193-E207 HydrophobicContact CB-CG 3.9Å; R193-E207 HydrophobicContact CG-CG 3.88Å; R193-E207 IonicContact CZ-OE1 2.76Å; R193-E207 IonicContact NE-OE1 2.95Å; R193-E207 PolarHBondContact NE-OE1 2.88Å; R193-E207 VanDerWaalsContact NH2-CD 3.28Å; R193-E207 IonicContact NH2-OE1 2.95Å; R193-E207 PolarHBondContact NH2-OE1 3Å; R193-E207 IonicContact NH2-OE2 2.82Å; R193-E207 PolarHBondContact NH2-OE2 2.82Å |
| 194 | C | 92.5 | Very high | 84.2 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 129.9 | 161.9 | 176.2 | 0 | 0 | 0 | 0 | 108.5 | C146 I156 W158 S205 S206 | C146-C194 HydrophobicContact CB-CB 3.64Å; C146-C194 WeakPolarHBondContact CB-SG 2.95Å; C146-C194 WeakPolarHBondContact SG-CB 2.91Å; C146-C194 CovalentContact SG-SG 2.03Å; C146-C194 PolarHBondContact SG-SG 2.83Å; I156-C194 VanDerWaalsContact CG2-SG 3.6Å; W158-C194 HydrophobicContact CD2-CB 4.45Å; W158-C194 HydrophobicContact CE3-CB 4.14Å; W158-C194 HydrophobicContact CH2-CB 3.83Å; W158-C194 HydrophobicContact CZ2-CB 4.16Å; W158-C194 HydrophobicContact CZ3-CB 3.82Å; C194-S205 CarbonylContact O-C 3.56Å; C194-S205 WeakPolarHBondContact O-CA 3.41Å; C194-S205 WeakPolarHBondContact O-CB 3.33Å; C194-S206 PolarHBondContact N-O 2.78Å; C194-S206 PolarHBondContact O-N 3.17Å; C194-S206 VanDerWaalsContact O-N 3.1Å |
| 195 | V | 90 | Very high | 84.4 | Confident | 8 Ų | 8 | 54.6 Ų | 54.6 | 5% | 0.048 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 114.6 | 174.1 | -174.6 | 0 | 0 | 0 | 0 | 108.6 | T157 Q159 R193 N203 | T157-V195 PolarHBondContact N-O 2.91Å; T157-V195 PolarHBondContact O-N 2.82Å; T157-V195 PolarHBondContact OG1-O 2.9Å; Q159-V195 HydrophobicContact CG-CG2 4.14Å; R193-V195 HydrophobicContact CG-CG2 3.77Å; V195-N203 HydrophobicContact CG1-CB 3.98Å; V195-N203 VanDerWaalsContact CG1-OD1 3.3Å; V195-N203 WeakPolarHBondContact CG1-OD1 3.49Å |
| 196 | A | 87.9 | Confident | 84.5 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 135.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | F127 I148 P154 I155 I156 N203 V204 | F127-A196 HydrophobicContact CE1-CB 4.17Å; F127-A196 HydrophobicContact CZ-CB 4.43Å; I148-A196 HydrophobicContact CD1-CB 3.85Å; I148-A196 HydrophobicContact CG2-CB 3.46Å; I148-A196 VanDerWaalsContact CG2-CB 3.46Å; P154-A196 HydrophobicContact CB-CB 4.49Å; I155-A196 WeakPolarHBondContact O-CA 2.94Å; I156-A196 HydrophobicContact CG1-CB 4.38Å; A196-N203 WeakPolarHBondContact O-CA 3.27Å; A196-V204 PolarHBondContact N-O 2.95Å; A196-V204 PolarHBondContact O-N 2.82Å |
| 197 | S | 84.9 | Confident | 84.9 | Confident | 29 Ų | 29 | 52 Ų | 52 | 20% | 0.203 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 141.3 | -176.2 | 63.5 | 0 | 0 | 0 | 0 | 111.6 | P154 I155 N203 | P154-S197 CarbonylContact C-O 3.57Å; P154-S197 WeakPolarHBondContact CA-O 3.18Å; I155-S197 PolarHBondContact N-O 3.31Å; I155-S197 PolarHBondContact O-N 3.28Å; I155-S197 PolarHBondContact O-OG 2.85Å; S197-N203 WeakPolarHBondContact CB-OD1 3.22Å |
| 198 | N | 82.1 | Confident | 85.1 | Confident | 22 Ų | 22 | 45.2 Ų | 45.2 | 12% | 0.118 | 24% | 0.236 | C | C | . | . | trans | -149.6 | -176.8 | 164.8 | 76.5 | -1.9 | 0 | 0 | 0 | 109.6 | S123 V151 P152 P154 A200 K201 | S123-N198 PolarHBondContact O-ND2 2.87Å; V151-N198 PolarHBondContact O-ND2 2.77Å; P152-N198 HydrophobicContact CG-CB 4.21Å; P152-N198 PolarHBondContact O-ND2 2.84Å; P154-N198 HydrophobicContact CB-CB 4.4Å; N198-A200 PolarHBondContact O-N 2.72Å; N198-A200 WeakPolarHBondContact OD1-CB 3.33Å; N198-A200 PolarHBondContact OD1-N 3.48Å; N198-K201 VanDerWaalsContact O-O 3.06Å; N198-K201 PolarHBondContact OD1-N 2.83Å | ||
| 199 | S | 74.8 | Confident | 85.3 | Confident | 46 Ų | 46 | 51.5 Ų | 51.5 | 32% | 0.322 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -69.3 | -12.7 | -178.2 | 52.4 | 0 | 0 | 0 | 0 | 115 | E37 P152 | E37-S199 WeakPolarHBondContact OE1-CB 3.41Å; E37-S199 PolarHBondContact OE1-OG 3.01Å; P152-S199 WeakPolarHBondContact CD-OG 3.41Å |
| 200 | A | 67.9 | Low | 85.3 | Confident | 19 Ų | 19 | 49 Ų | 49 | 16% | 0.157 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -78.8 | -41.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A122 L124 N198 | A122-A200 HydrophobicContact CB-CB 3.72Å; A122-A200 WeakPolarHBondContact O-CB 3.45Å; L124-A200 HydrophobicContact CB-CB 4.46Å; N198-A200 PolarHBondContact O-N 2.72Å; N198-A200 WeakPolarHBondContact OD1-CB 3.33Å; N198-A200 PolarHBondContact OD1-N 3.48Å |
| 201 | K | 64.3 | Low | 85.2 | Confident | 111 Ų | 111 | 51.5 Ų | 51.5 | 48% | 0.483 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -141.4 | 130.5 | -178.1 | -76.4 | -178.9 | -175 | 159.3 | 0 | 109.7 | L124 N198 N203 V204 | L124-K201 HydrophobicContact CB-CB 4.39Å; L124-K201 HydrophobicContact CB-CD 4.36Å; L124-K201 HydrophobicContact CD2-CB 4.02Å; L124-K201 PolarHBondContact O-NZ 2.83Å; N198-K201 VanDerWaalsContact O-O 3.06Å; N198-K201 PolarHBondContact OD1-N 2.83Å; K201-N203 VanDerWaalsContact C-N 3.35Å; K201-N203 PolarHBondContact O-N 2.88Å; K201-V204 HydrophobicContact CD-CG2 4.17Å |
| 202 | K | 62.5 | Low | 85 | Confident | 201 Ų | 201 | 48.3 Ų | 48.3 | 87% | 0.874 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -54.7 | -42.7 | -170.5 | -115.8 | -177.1 | 179 | -177.2 | 0 | 114.7 | ||
| 203 | N | 77.4 | Confident | 84.3 | Confident | 107 Ų | 107 | 51 Ų | 51 | 57% | 0.572 | 26% | 0.257 | S | S | * | . | trans | -163 | 142.6 | 173.4 | -80.1 | -44.3 | 0 | 0 | 0 | 109.7 | V195 A196 S197 K201 | V195-N203 HydrophobicContact CG1-CB 3.98Å; V195-N203 VanDerWaalsContact CG1-OD1 3.3Å; V195-N203 WeakPolarHBondContact CG1-OD1 3.49Å; A196-N203 WeakPolarHBondContact O-CA 3.27Å; S197-N203 WeakPolarHBondContact CB-OD1 3.22Å; K201-N203 VanDerWaalsContact C-N 3.35Å; K201-N203 PolarHBondContact O-N 2.88Å | ||
| 204 | V | 83.6 | Confident | 83.1 | Confident | 41 Ų | 41 | 53.2 Ų | 53.2 | 25% | 0.248 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 142.4 | 164.5 | 178.9 | 0 | 0 | 0 | 0 | 107.5 | L124 F127 A196 K201 | L124-V204 HydrophobicContact CD2-CB 4.07Å; L124-V204 HydrophobicContact CD2-CG2 3.66Å; F127-V204 HydrophobicContact CE2-CG1 3.75Å; F127-V204 HydrophobicContact CZ-CG1 4.13Å; A196-V204 PolarHBondContact N-O 2.95Å; A196-V204 PolarHBondContact O-N 2.82Å; K201-V204 HydrophobicContact CD-CG2 4.17Å |
| 205 | S | 89.7 | Confident | 81.8 | Confident | 52 Ų | 52 | 55.1 Ų | 55.1 | 36% | 0.364 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 146.8 | -171.2 | 62.6 | 0 | 0 | 0 | 0 | 114.2 | F127 C194 | F127-S205 VanDerWaalsContact CE2-C 3.48Å; C194-S205 CarbonylContact O-C 3.56Å; C194-S205 WeakPolarHBondContact O-CA 3.41Å; C194-S205 WeakPolarHBondContact O-CB 3.33Å |
| 206 | S | 91.3 | Very high | 80.3 | Confident | 16 Ų | 16 | 60 Ų | 60 | 11% | 0.112 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 157.9 | 172.2 | -167.7 | 0 | 0 | 0 | 0 | 110.3 | E130 R193 C194 | E130-S206 VanDerWaalsContact OE1-CB 3.31Å; E130-S206 WeakPolarHBondContact OE1-CB 3.48Å; E130-S206 PolarHBondContact OE1-OG 3.43Å; R193-S206 WeakPolarHBondContact CA-O 3.33Å; C194-S206 PolarHBondContact N-O 2.78Å; C194-S206 PolarHBondContact O-N 3.17Å; C194-S206 VanDerWaalsContact O-N 3.1Å |
| 207 | E | 92.6 | Very high | 78.5 | Confident | 82 Ų | 82 | 64.4 Ų | 64.4 | 38% | 0.383 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 141.2 | -165.5 | -60.9 | -168.6 | 123.9 | 0 | 0 | 113.8 | L191 Y192 R193 | L191-E207 HydrophobicContact CD1-CB 4.25Å; L191-E207 HydrophobicContact CD2-CB 4.5Å; L191-E207 WeakPolarHBondContact CD2-OE1 3.19Å; L191-E207 HydrophobicContact CG-CB 4.34Å; Y192-E207 WeakPolarHBondContact O-CA 3.31Å; R193-E207 HydrophobicContact CB-CG 3.9Å; R193-E207 HydrophobicContact CG-CG 3.88Å; R193-E207 IonicContact CZ-OE1 2.76Å; R193-E207 IonicContact NE-OE1 2.95Å; R193-E207 PolarHBondContact NE-OE1 2.88Å; R193-E207 VanDerWaalsContact NH2-CD 3.28Å; R193-E207 IonicContact NH2-OE1 2.95Å; R193-E207 PolarHBondContact NH2-OE1 3Å; R193-E207 IonicContact NH2-OE2 2.82Å; R193-E207 PolarHBondContact NH2-OE2 2.82Å |
| 208 | A | 93.1 | Very high | 76.9 | Confident | 2 Ų | 2 | 70.5 Ų | 70.5 | 2% | 0.017 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 152.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | P131 F144 Y192 | P131-A208 HydrophobicContact CB-CB 3.65Å; P131-A208 HydrophobicContact CG-CB 4.08Å; P131-A208 WeakPolarHBondContact O-CB 3.18Å; F144-A208 HydrophobicContact CD1-CB 3.83Å; F144-A208 HydrophobicContact CE1-CB 3.63Å; Y192-A208 PolarHBondContact N-O 2.87Å; Y192-A208 PolarHBondContact O-N 2.97Å |
| 209 | R | 92.8 | Very high | 75.7 | Confident | 138 Ų | 138 | 72.8 Ų | 72.8 | 52% | 0.521 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 132.6 | 179 | -172.8 | 171.2 | -178 | 151.2 | 2.1 | 111.3 | P133 Q134 E189 L191 I211 | P133-R209 WeakPolarHBondContact CA-O 3.35Å; Q134-R209 PolarHBondContact N-O 3.06Å; E189-R209 IonicContact OE1-NH2 3.5Å; L191-R209 HydrophobicContact CD1-CB 4.39Å; R209-I211 HydrophobicContact CG-CG1 4.24Å |
| 210 | L | 92.6 | Very high | 75.2 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 136.4 | 161.8 | -170.7 | 56.8 | 0 | 0 | 0 | 109.1 | Q134 V136 A142 F144 I181 V184 D188 E189 G190 Y192 V212 | Q134-L210 HydrophobicContact CB-CD1 4.07Å; Q134-L210 CarbonylContact O-C 3.52Å; V136-L210 HydrophobicContact CB-CD1 4.31Å; V136-L210 HydrophobicContact CG2-CD1 3.9Å; A142-L210 HydrophobicContact CB-CD1 3.74Å; A142-L210 HydrophobicContact CB-CD2 4.25Å; F144-L210 HydrophobicContact CE2-CB 4.3Å; F144-L210 HydrophobicContact CZ-CB 3.9Å; F144-L210 HydrophobicContact CZ-CD1 4.26Å; I181-L210 HydrophobicContact CD1-CD2 4.2Å; V184-L210 HydrophobicContact CG1-CD2 4.13Å; D188-L210 HydrophobicContact CB-CD2 4.41Å; E189-L210 WeakPolarHBondContact CG-O 3.34Å; G190-L210 PolarHBondContact O-N 3.02Å; Y192-L210 HydrophobicContact CD2-CB 3.99Å; Y192-L210 HydrophobicContact CE2-CB 3.74Å; Y192-L210 HydrophobicContact CE2-CD2 4.02Å; L210-V212 HydrophobicContact CD2-CG2 4.27Å; L210-V212 HydrophobicContact CG-CG2 4.12Å |
| 211 | I | 89.3 | Confident | 75.2 | Confident | 65 Ų | 65 | 76.2 Ų | 76.2 | 33% | 0.333 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 124 | 173.4 | -58.5 | 177.4 | 0 | 0 | 0 | 107.7 | Q134 T135 V136 R209 | Q134-I211 PolarHBondContact O-N 2.88Å; T135-I211 WeakPolarHBondContact CA-O 3.43Å; T135-I211 HydrophobicContact CG2-CB 4.42Å; T135-I211 HydrophobicContact CG2-CG2 4.32Å; V136-I211 PolarHBondContact N-O 3.14Å; R209-I211 HydrophobicContact CG-CG1 4.24Å |
| 212 | V | 88.1 | Confident | 75.9 | Confident | 3 Ų | 3 | 75.4 Ų | 75.4 | 2% | 0.018 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 116.6 | -175.8 | -174.5 | 0 | 0 | 0 | 0 | 110.9 | V136 T138 V184 K186 E189 L210 | V136-V212 WeakPolarHBondContact O-CA 3.23Å; T138-V212 HydrophobicContact CG2-CG1 3.7Å; V184-V212 HydrophobicContact CG1-CG1 4.09Å; V184-V212 HydrophobicContact CG1-CG2 3.6Å; K186-V212 HydrophobicContact CD-CB 4.02Å; K186-V212 HydrophobicContact CD-CG1 4.31Å; K186-V212 PolarHBondContact NZ-O 3.35Å; E189-V212 HydrophobicContact CB-CB 4.4Å; E189-V212 HydrophobicContact CB-CG2 3.93Å; E189-V212 HydrophobicContact CG-CG2 4.39Å; E189-V212 PolarHBondContact OE2-N 2.83Å; E189-V212 VanDerWaalsContact OE2-N 3.08Å; L210-V212 HydrophobicContact CD2-CG2 4.27Å; L210-V212 HydrophobicContact CG-CG2 4.12Å |
| 213 | T | 80.3 | Confident | 77 | Confident | 57 Ų | 57 | 66.4 Ų | 66.4 | 35% | 0.35 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 138.3 | -178.9 | 51.3 | 0 | 0 | 0 | 0 | 111.5 | T135 V136 T137 T138 | T135-T213 HydrophobicContact CG2-CG2 3.7Å; V136-T213 PolarHBondContact O-N 2.97Å; V136-T213 PolarHBondContact O-OG1 2.89Å; T137-T213 CarbonylContact C-O 3.59Å; T137-T213 VanDerWaalsContact CA-O 3.24Å; T137-T213 WeakPolarHBondContact CA-O 3.47Å; T137-T213 WeakPolarHBondContact CG2-OG1 3.48Å; T138-T213 PolarHBondContact N-O 3.4Å |
| 214 | T | 67.8 | Low | 77.4 | Confident | 119 Ų | 119 | 65 Ų | 65 | 73% | 0.73 | 39% | 0.389 | S | S | * | . | trans | -94.7 | 101.5 | 175 | 49.5 | 0 | 0 | 0 | 0 | 109.1 | T138 | T138-T214 HydrophobicContact CG2-CG2 3.94Š| ||
| 215 | G | 65.2 | Low | 77.6 | Confident | 39 Ų | 39 | 64.4 Ų | 64.4 | 40% | 0.402 | 39% | 0.385 | S | S | . | . | trans | -158.9 | 128.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | I217 | G215-I217 PolarHBondContact O-N 2.85Š| ||
| 216 | S | 57.4 | Low | 77.3 | Confident | 112 Ų | 112 | 65.4 Ų | 65.4 | 78% | 0.783 | 39% | 0.388 | S | S | * | . | trans | -82 | 105.5 | 170.6 | 51.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 217 | I | 52.1 | Low | 76.9 | Confident | 92 Ų | 92 | 65.7 Ų | 65.7 | 47% | 0.472 | 39% | 0.392 | S | S | . | . | trans | -99 | 90.8 | 176.3 | -59.7 | 178.6 | 0 | 0 | 0 | 108.4 | T137 G215 S219 Q249 | T137-I217 HydrophobicContact CG2-CD1 4.06Å; G215-I217 PolarHBondContact O-N 2.85Å; I217-S219 WeakPolarHBondContact CG2-OG 3.41Å; I217-S219 PolarHBondContact O-N 2.98Å; I217-Q249 PolarHBondContact O-NE2 2.8Å | ||
| 218 | D | 50.5 | Low | 76.7 | Confident | 156 Ų | 156 | 64.9 Ų | 64.9 | 83% | 0.834 | 39% | 0.394 | S | S | * | . | trans | -83.7 | 37.1 | 174.6 | -78.2 | -44 | 0 | 0 | 0 | 112.6 | P220 | D218-P220 WeakPolarHBondContact O-CD 3.06Š| ||
| 219 | S | 57.7 | Low | 76.7 | Confident | 71 Ų | 71 | 65.3 Ų | 65.3 | 50% | 0.497 | 40% | 0.396 | S | S | . | . | trans | -95.9 | 106.8 | 174.3 | 66.4 | 0 | 0 | 0 | 0 | 110.5 | I217 G221 Q249 | I217-S219 WeakPolarHBondContact CG2-OG 3.41Å; I217-S219 PolarHBondContact O-N 2.98Å; S219-G221 PolarHBondContact O-N 2.77Å; S219-Q249 WeakPolarHBondContact O-CB 3.36Å; S219-Q249 WeakPolarHBondContact O-CG 3.44Å | ||
| 220 | P | 62.8 | Low | 76.6 | Confident | 116 Ų | 116 | 66.2 Ų | 66.2 | 75% | 0.753 | 41% | 0.406 | S | S | * | . | trans | -68 | 125.5 | 178.8 | 27 | -33.6 | 0 | 0 | 0 | 111 | D218 | D218-P220 WeakPolarHBondContact O-CD 3.06Š| ||
| 221 | G | 68 | Low | 76.6 | Confident | 20 Ų | 20 | 71.7 Ų | 71.7 | 21% | 0.206 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 158.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S219 K294 | S219-G221 PolarHBondContact O-N 2.77Å; G221-K294 PolarHBondContact O-NZ 3.26Å |
| 222 | P | 79.2 | Confident | 76.5 | Confident | 95 Ų | 95 | 70 Ų | 70 | 62% | 0.617 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 157.1 | 170.8 | 30.4 | -34.8 | 0 | 0 | 0 | 110.7 | V224 | P222-V224 HydrophobicContact CG-CG2 4.4Å |
| 223 | V | 85.6 | Confident | 76.5 | Confident | 12 Ų | 12 | 74.6 Ų | 74.6 | 7% | 0.073 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 127 | 169.9 | 178.3 | 0 | 0 | 0 | 0 | 110 | A246 Q247 P252 A292 K294 V301 | V223-A246 HydrophobicContact CG1-CB 4.48Å; V223-Q247 WeakPolarHBondContact CA-O 3.48Å; V223-P252 HydrophobicContact CB-CG 4.33Å; V223-P252 HydrophobicContact CG1-CB 3.83Å; V223-P252 HydrophobicContact CG1-CG 3.58Å; V223-P252 HydrophobicContact CG2-CB 4.38Å; V223-P252 HydrophobicContact CG2-CG 3.87Å; V223-A292 HydrophobicContact CG1-CB 4.2Å; V223-K294 HydrophobicContact CG2-CB 3.51Å; V223-K294 HydrophobicContact CG2-CD 3.97Å; V223-K294 HydrophobicContact CG2-CG 3.76Å; V223-V301 HydrophobicContact CG1-CG2 3.81Å |
| 224 | V | 86.8 | Confident | 76.9 | Confident | 77 Ų | 77 | 72.9 Ų | 72.9 | 47% | 0.467 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 134.2 | -179.2 | -174.8 | 0 | 0 | 0 | 0 | 108.8 | P222 V226 A246 Q247 | P222-V224 HydrophobicContact CG-CG2 4.4Å; V224-V226 PolarHBondContact O-N 2.87Å; V224-A246 CarbonylContact O-C 3.6Å; V224-A246 VanDerWaalsContact O-CA 3.27Å; V224-A246 WeakPolarHBondContact O-CA 3.28Å; V224-Q247 PolarHBondContact N-O 3.48Å; V224-Q247 PolarHBondContact O-N 3.28Å |
| 225 | I | 87.1 | Confident | 77.8 | Confident | 29 Ų | 29 | 69.6 Ų | 69.6 | 15% | 0.149 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 116.5 | 167.2 | -69.5 | 164 | 0 | 0 | 0 | 106.9 | P228 V245 A246 A292 V301 A303 | I225-P228 HydrophobicContact CG2-CB 3.84Å; I225-V245 CarbonylContact C-O 3.56Å; I225-A246 HydrophobicContact CG1-CB 4.17Å; I225-A292 HydrophobicContact CG1-CB 4.31Å; I225-V301 HydrophobicContact CD1-CB 4.32Å; I225-V301 HydrophobicContact CD1-CG2 3.93Å; I225-V301 HydrophobicContact CG1-CG2 3.76Å; I225-A303 HydrophobicContact CD1-CB 3.89Å; I225-A303 HydrophobicContact CG2-CB 4.47Å |
| 226 | V | 82.4 | Confident | 78.9 | Confident | 72 Ų | 72 | 71.2 Ų | 71.2 | 44% | 0.436 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -23.9 | -177.6 | -64.3 | 0 | 0 | 0 | 0 | 112.6 | V224 V245 Q247 | V224-V226 PolarHBondContact O-N 2.87Å; V226-V245 HydrophobicContact CG2-CB 4.1Å; V226-V245 HydrophobicContact CG2-CG1 3.84Å; V226-V245 WeakPolarHBondContact CG2-O 3.01Å; V226-V245 PolarHBondContact N-O 2.82Å; V226-Q247 HydrophobicContact CG1-CB 4.14Å; V226-Q247 HydrophobicContact CG1-CG 3.88Å; V226-Q247 HydrophobicContact CG2-CG 3.84Å |
| 227 | A | 82.9 | Confident | 80.1 | Confident | 22 Ų | 22 | 67.8 Ų | 67.8 | 18% | 0.182 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 96.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | E243 C244 V245 | A227-E243 HydrophobicContact CB-CG 4.21Å; A227-C244 CarbonylContact O-C 3.19Å; A227-C244 VanDerWaalsContact O-CA 3.27Å; A227-C244 WeakPolarHBondContact O-CA 3.39Å; A227-V245 HydrophobicContact CB-CB 4.02Å; A227-V245 HydrophobicContact CB-CG2 4.27Å; A227-V245 PolarHBondContact N-O 2.85Å; A227-V245 PolarHBondContact O-N 2.82Å |
| 228 | P | 89.8 | Confident | 81.5 | Confident | 66 Ų | 66 | 68.5 Ų | 68.5 | 43% | 0.429 | 41% | 0.41 | S | S | . | . | trans | -75.8 | 155.5 | 173.5 | 31.9 | -33.9 | 0 | 0 | 0 | 110.6 | I225 A303 | I225-P228 HydrophobicContact CG2-CB 3.84Å; P228-A303 HydrophobicContact CB-CB 3.7Å | ||
| 229 | P | 92.1 | Very high | 83 | Confident | 10 Ų | 10 | 64.1 Ų | 64.1 | 7% | 0.065 | 39% | 0.391 | C | S | . | . | trans | -63.6 | 150 | 170.4 | 27.9 | -34.1 | 0 | 0 | 0 | 110.9 | M242 E243 W256 C290 A303 A305 | P229-M242 HydrophobicContact CB-SD 4.44Å; P229-E243 VanDerWaalsContact CA-O 3.24Å; P229-E243 WeakPolarHBondContact CA-O 3.19Å; P229-E243 WeakPolarHBondContact CB-O 3.42Å; P229-E243 WeakPolarHBondContact CD-O 3.44Å; P229-E243 VanDerWaalsContact N-O 3.13Å; P229-W256 HydrophobicContact CB-CH2 3.88Å; P229-W256 HydrophobicContact CB-CZ3 4.34Å; P229-W256 HydrophobicContact CG-CH2 4.04Å; P229-W256 HydrophobicContact CG-CZ3 4.25Å; P229-C290 HydrophobicContact CG-CB 4.43Å; P229-A303 HydrophobicContact CG-CB 4.42Å; P229-A305 HydrophobicContact CB-CB 3.76Å; P229-A305 HydrophobicContact CG-CB 4.13Å | ||
| 230 | Q | 91.2 | Very high | 84.3 | Confident | 158 Ų | 158 | 60.9 Ų | 60.9 | 74% | 0.738 | 37% | 0.368 | S | S | * | . | trans | -118.6 | 151.8 | -179.9 | -58.2 | -172.1 | 35.5 | 0 | 0 | 110.2 | A232 A305 | Q230-A232 PolarHBondContact O-N 2.81Å; Q230-A305 VanDerWaalsContact C-CB 3.41Å; Q230-A305 WeakPolarHBondContact O-CB 3.48Å | ||
| 231 | N | 91.9 | Very high | 85.4 | Confident | 115 Ų | 115 | 57 Ų | 57 | 62% | 0.615 | 34% | 0.342 | S | S | * | . | trans | -61.1 | 133 | 176.7 | -69.9 | -1.5 | 0 | 0 | 0 | 109.9 | A305 E306 | N231-A305 WeakPolarHBondContact OD1-CA 3.42Å; N231-E306 VanDerWaalsContact CA-O 3.31Å; N231-E306 WeakPolarHBondContact CA-O 3.26Å; N231-E306 PolarHBondContact OD1-N 3.14Å | ||
| 232 | A | 87.1 | Confident | 86.4 | Confident | 28 Ų | 28 | 56.2 Ų | 56.2 | 23% | 0.231 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 137.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q230 V234 E306 L307 H308 | Q230-A232 PolarHBondContact O-N 2.81Å; A232-V234 HydrophobicContact CB-CG2 4.5Å; A232-E306 PolarHBondContact N-O 2.94Å; A232-L307 HydrophobicContact CB-CD1 4.13Å; A232-L307 WeakPolarHBondContact O-CA 3.4Å; A232-H308 PolarHBondContact O-N 2.87Å |
| 233 | T | 89.1 | Confident | 86.6 | Confident | 100 Ų | 100 | 52.8 Ų | 52.8 | 61% | 0.613 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 115.4 | 169.8 | -58.9 | 0 | 0 | 0 | 0 | 108.2 | H308 A310 | T233-H308 WeakPolarHBondContact CA-O 3.18Å; T233-H308 HydrophobicContact CG2-CB 4.23Å; T233-A310 HydrophobicContact CG2-CB 3.74Å |
| 234 | V | 88.3 | Confident | 86.7 | Confident | 21 Ų | 21 | 52.2 Ų | 52.2 | 13% | 0.127 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 135.7 | -176.4 | -178.4 | 0 | 0 | 0 | 0 | 109.6 | A232 H238 A240 T280 L307 H308 V309 A310 | A232-V234 HydrophobicContact CB-CG2 4.5Å; V234-H238 HydrophobicContact CG1-CB 3.85Å; V234-A240 HydrophobicContact CB-CB 4.41Å; V234-A240 HydrophobicContact CG1-CB 4.38Å; V234-A240 HydrophobicContact CG2-CB 3.84Å; V234-T280 HydrophobicContact CB-CG2 4.25Å; V234-T280 HydrophobicContact CG1-CG2 3.83Å; V234-L307 HydrophobicContact CB-CD1 4.33Å; V234-L307 HydrophobicContact CG2-CD1 3.86Å; V234-H308 PolarHBondContact N-O 2.93Å; V234-V309 CarbonylContact O-C 3.58Å; V234-V309 WeakPolarHBondContact O-CA 3.39Å; V234-A310 PolarHBondContact O-N 3.39Å |
| 235 | V | 87.2 | Confident | 86.5 | Confident | 50 Ų | 50 | 49.9 Ų | 49.9 | 30% | 0.303 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 130.6 | 177.1 | -179.2 | 0 | 0 | 0 | 0 | 109.2 | G237 H238 T280 A310 L388 | V235-G237 PolarHBondContact O-N 2.84Å; V235-H238 VanDerWaalsContact O-CB 3.23Å; V235-H238 WeakPolarHBondContact O-CB 3.25Å; V235-H238 PolarHBondContact O-N 2.81Å; V235-H238 PolarHBondContact O-ND1 2.93Å; V235-H238 VanDerWaalsContact O-ND1 3.15Å; V235-T280 PolarHBondContact O-OG1 2.91Å; V235-A310 WeakPolarHBondContact CA-O 3.45Å; V235-L388 HydrophobicContact CG1-CD1 4.35Å; V235-L388 HydrophobicContact CG2-CD1 4.03Å; V235-L388 HydrophobicContact CG2-CD2 3.83Å |
| 236 | L | 87.1 | Confident | 86.4 | Confident | 74 Ų | 74 | 49 Ų | 49 | 39% | 0.387 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.4 | 132 | 177.4 | -175 | 145.3 | 0 | 0 | 0 | 111.7 | R282 V309 A310 | L236-R282 HydrophobicContact CD1-CG 3.77Å; L236-V309 HydrophobicContact CB-CG1 4.03Å; L236-V309 HydrophobicContact CD1-CG1 4.49Å; L236-A310 PolarHBondContact N-O 3.25Å |
| 237 | G | 82.9 | Confident | 86.3 | Confident | 39 Ų | 39 | 51.5 Ų | 51.5 | 40% | 0.402 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.4 | -17.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | V235 D279 T280 | V235-G237 PolarHBondContact O-N 2.84Å; G237-D279 WeakPolarHBondContact CA-OD1 3.31Å; G237-T280 PolarHBondContact N-O 2.85Å; G237-T280 PolarHBondContact N-OG1 3.31Å |
| 238 | H | 81.9 | Confident | 86 | Confident | 107 Ų | 107 | 51.4 Ų | 51.4 | 50% | 0.495 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -88.5 | 155.9 | -179.9 | -65.6 | 67.2 | 0 | 0 | 0 | 111.6 | V234 V235 T280 | V234-H238 HydrophobicContact CG1-CB 3.85Å; V235-H238 VanDerWaalsContact O-CB 3.23Å; V235-H238 WeakPolarHBondContact O-CB 3.25Å; V235-H238 PolarHBondContact O-N 2.81Å; V235-H238 PolarHBondContact O-ND1 2.93Å; V235-H238 VanDerWaalsContact O-ND1 3.15Å; H238-T280 PolarHBondContact N-OG1 2.03Å; H238-T280 VanDerWaalsContact O-CB 3.3Å; H238-T280 WeakPolarHBondContact O-CB 3.49Å; H238-T280 WeakPolarHBondContact O-CG2 3.21Å; H238-T280 PolarHBondContact O-N 3.3Å; H238-T280 VanDerWaalsContact O-N 3.08Å; H238-T280 PolarHBondContact O-OG1 3.15Å |
| 239 | P | 81.3 | Confident | 85.2 | Confident | 65 Ų | 65 | 51.8 Ų | 51.8 | 42% | 0.422 | 29% | 0.293 | S | S | . | . | trans | -70.3 | 147.2 | 175.3 | 28.8 | -35.2 | 0 | 0 | 0 | 112.1 | I277 | P239-I277 CarbonylContact C-O 3.54Å; P239-I277 WeakPolarHBondContact CA-O 3.11Å; P239-I277 WeakPolarHBondContact CB-O 3.48Å | ||
| 240 | A | 85.6 | Confident | 84.3 | Confident | 3 Ų | 3 | 54.5 Ų | 54.5 | 3% | 0.025 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 141 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | V234 I277 T280 L307 | V234-A240 HydrophobicContact CB-CB 4.41Å; V234-A240 HydrophobicContact CG1-CB 4.38Å; V234-A240 HydrophobicContact CG2-CB 3.84Å; A240-I277 HydrophobicContact CB-CB 4.18Å; A240-I277 HydrophobicContact CB-CG1 4.42Å; A240-I277 PolarHBondContact N-O 3.39Å; A240-I277 PolarHBondContact O-N 2.78Å; A240-T280 HydrophobicContact CB-CG2 3.63Å; A240-L307 HydrophobicContact CB-CD1 4.06Å; A240-L307 HydrophobicContact CB-CD2 4.19Å |
| 241 | V | 86.7 | Confident | 83.6 | Confident | 34 Ų | 34 | 52.1 Ų | 52.1 | 21% | 0.206 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 129.3 | 176.4 | -177.9 | 0 | 0 | 0 | 0 | 108.3 | L174 P175 V276 | L174-V241 HydrophobicContact CD1-CG1 4.17Å; L174-V241 HydrophobicContact CD2-CG1 4.41Å; P175-V241 HydrophobicContact CB-CG2 4.13Å; P175-V241 HydrophobicContact CG-CG2 3.97Å; V241-V276 HydrophobicContact CG1-CG2 4.39Å; V241-V276 HydrophobicContact CG2-CG1 4.48Å; V241-V276 HydrophobicContact CG2-CG2 4.5Å |
| 242 | M | 87.7 | Confident | 83.3 | Confident | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.02 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 107.5 | 174.6 | -65.3 | -104.1 | -84.5 | 0 | 0 | 107.5 | P229 W256 N274 L275 Y288 A305 | P229-M242 HydrophobicContact CB-SD 4.44Å; M242-W256 HydrophobicContact CB-CH2 3.72Å; M242-W256 HydrophobicContact CB-CZ2 4.44Å; M242-W256 HydrophobicContact CB-CZ3 4.22Å; M242-W256 VanDerWaalsContact O-CZ2 3.23Å; M242-W256 WeakPolarHBondContact O-CZ2 3.43Å; M242-N274 WeakPolarHBondContact O-CA 3.32Å; M242-L275 HydrophobicContact CB-CB 4.31Å; M242-L275 HydrophobicContact CB-CD2 4.47Å; M242-L275 PolarHBondContact N-O 2.86Å; M242-L275 PolarHBondContact O-N 2.67Å; M242-Y288 HydrophobicContact CE-CD2 3.81Å; M242-Y288 HydrophobicContact CE-CG 3.99Å; M242-A305 HydrophobicContact CE-CB 3.95Å; M242-A305 HydrophobicContact SD-CB 4.13Å |
| 243 | E | 84.3 | Confident | 83.2 | Confident | 23 Ų | 23 | 51.7 Ų | 51.7 | 11% | 0.107 | 29% | 0.292 | C | S | . | . | trans | -79.4 | 146.1 | -179.4 | 176.9 | 154.8 | -140.3 | 0 | 0 | 111.1 | R143 Q180 A227 P229 V245 N274 | R143-E243 IonicContact CZ-OE1 2.65Å; R143-E243 IonicContact CZ-OE2 3.79Å; R143-E243 IonicContact NE-OE1 3.35Å; R143-E243 PolarHBondContact NE-OE1 3.18Å; R143-E243 IonicContact NE-OE2 3.13Å; R143-E243 IonicContact NH2-OE1 2.71Å; R143-E243 IonicContact NH2-OE2 2.72Å; R143-E243 PolarHBondContact NH2-OE2 3.36Å; Q180-E243 PolarHBondContact NE2-OE1 3.08Å; A227-E243 HydrophobicContact CB-CG 4.21Å; P229-E243 VanDerWaalsContact CA-O 3.24Å; P229-E243 WeakPolarHBondContact CA-O 3.19Å; P229-E243 WeakPolarHBondContact CB-O 3.42Å; P229-E243 WeakPolarHBondContact CD-O 3.44Å; P229-E243 VanDerWaalsContact N-O 3.13Å; E243-V245 HydrophobicContact CG-CG2 3.86Å; E243-V245 VanDerWaalsContact OE1-CG2 3.24Å; E243-V245 WeakPolarHBondContact OE1-CG2 3.47Å; E243-N274 WeakPolarHBondContact CA-OD1 3.35Å; E243-N274 WeakPolarHBondContact CG-OD1 3.4Å | ||
| 244 | C | 87.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -151.1 | 83.7 | 168.1 | -172.3 | 0 | 0 | 0 | 0 | 113.2 | A227 V254 W256 T273 N274 C290 | A227-C244 CarbonylContact O-C 3.19Å; A227-C244 VanDerWaalsContact O-CA 3.27Å; A227-C244 WeakPolarHBondContact O-CA 3.39Å; C244-V254 HydrophobicContact CB-CG1 4.47Å; C244-W256 HydrophobicContact CB-CH2 3.95Å; C244-W256 HydrophobicContact CB-CZ2 3.41Å; C244-W256 VanDerWaalsContact CB-CZ2 3.41Å; C244-T273 WeakPolarHBondContact O-CB 3.28Å; C244-N274 PolarHBondContact N-OD1 2.9Å; C244-C290 HydrophobicContact CB-CB 3.49Å; C244-C290 VanDerWaalsContact CB-CB 3.49Å; C244-C290 WeakPolarHBondContact CB-SG 3.38Å; C244-C290 WeakPolarHBondContact SG-CB 3.49Å; C244-C290 CovalentContact SG-SG 2Å; C244-C290 PolarHBondContact SG-SG 2.83Å | ||
| 245 | V | 82.4 | Confident | 83.2 | Confident | 27 Ų | 27 | 48.9 Ų | 48.9 | 16% | 0.164 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 126.9 | -179.2 | -174.8 | 0 | 0 | 0 | 0 | 110.5 | I225 V226 A227 E243 | I225-V245 CarbonylContact C-O 3.56Å; V226-V245 HydrophobicContact CG2-CB 4.1Å; V226-V245 HydrophobicContact CG2-CG1 3.84Å; V226-V245 WeakPolarHBondContact CG2-O 3.01Å; V226-V245 PolarHBondContact N-O 2.82Å; A227-V245 HydrophobicContact CB-CB 4.02Å; A227-V245 HydrophobicContact CB-CG2 4.27Å; A227-V245 PolarHBondContact N-O 2.85Å; A227-V245 PolarHBondContact O-N 2.82Å; E243-V245 HydrophobicContact CG-CG2 3.86Å; E243-V245 VanDerWaalsContact OE1-CG2 3.24Å; E243-V245 WeakPolarHBondContact OE1-CG2 3.47Å |
| 246 | A | 84.4 | Confident | 83.5 | Confident | 12 Ų | 12 | 47.8 Ų | 47.8 | 10% | 0.099 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 136.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V223 V224 I225 P252 V254 A292 | V223-A246 HydrophobicContact CG1-CB 4.48Å; V224-A246 CarbonylContact O-C 3.6Å; V224-A246 VanDerWaalsContact O-CA 3.27Å; V224-A246 WeakPolarHBondContact O-CA 3.28Å; I225-A246 HydrophobicContact CG1-CB 4.17Å; A246-P252 HydrophobicContact CB-CB 4.07Å; A246-P252 HydrophobicContact CB-CG 4.09Å; A246-V254 HydrophobicContact CB-CG2 4.27Å; A246-A292 HydrophobicContact CB-CB 3.39Å |
| 247 | Q | 80.1 | Confident | 83.8 | Confident | 123 Ų | 123 | 47.1 Ų | 47.1 | 58% | 0.575 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 153.4 | 174.8 | -66.9 | -178.7 | 5.5 | 0 | 0 | 110.5 | V223 V224 V226 | V223-Q247 WeakPolarHBondContact CA-O 3.48Å; V224-Q247 PolarHBondContact N-O 3.48Å; V224-Q247 PolarHBondContact O-N 3.28Å; V226-Q247 HydrophobicContact CG1-CB 4.14Å; V226-Q247 HydrophobicContact CG1-CG 3.88Å; V226-Q247 HydrophobicContact CG2-CG 3.84Å |
| 248 | G | 76.8 | Confident | 84.3 | Confident | 21 Ų | 21 | 46.5 Ų | 46.5 | 22% | 0.216 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.5 | 162.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P250 K251 | G248-P250 CarbonylContact C-O 3.58Å; G248-P250 CarbonylContact O-C 3.49Å; G248-K251 WeakPolarHBondContact O-CA 3Å; G248-K251 PolarHBondContact O-N 2.76Å |
| 249 | Q | 74.2 | Confident | 84.8 | Confident | 73 Ų | 73 | 47.7 Ų | 47.7 | 34% | 0.341 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 115 | -179.3 | -81.9 | -91.5 | 31.9 | 0 | 0 | 108.6 | I217 S219 K294 | I217-Q249 PolarHBondContact O-NE2 2.8Å; S219-Q249 WeakPolarHBondContact O-CB 3.36Å; S219-Q249 WeakPolarHBondContact O-CG 3.44Å; Q249-K294 WeakPolarHBondContact O-CE 3.35Å |
| 250 | P | 73.7 | Confident | 85.3 | Confident | 67 Ų | 67 | 47.9 Ų | 47.9 | 44% | 0.435 | 26% | 0.257 | S | S | . | . | S | Bend | cis | -66.8 | 161 | -5.1 | 29.8 | -35.6 | 0 | 0 | 0 | 113 | G248 P295 | G248-P250 CarbonylContact C-O 3.58Å; G248-P250 CarbonylContact O-C 3.49Å; P250-P295 HydrophobicContact CG-CB 4.27Å; P250-P295 HydrophobicContact CG-CG 4.39Å |
| 251 | K | 76.3 | Confident | 85.4 | Confident | 109 Ų | 109 | 51.1 Ų | 51.1 | 47% | 0.474 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -50.1 | 127.4 | -174.3 | -174.8 | 173.7 | 178.6 | 178.1 | 0 | 112.1 | S141 G248 P295 | S141-K251 PolarHBondContact OG-NZ 2.84Å; G248-K251 WeakPolarHBondContact O-CA 3Å; G248-K251 PolarHBondContact O-N 2.76Å; K251-P295 VanDerWaalsContact O-CD 3.28Å; K251-P295 WeakPolarHBondContact O-CD 3.48Å; K251-P295 WeakPolarHBondContact O-CG 3.23Å |
| 252 | P | 84.1 | Confident | 85.4 | Confident | 12 Ų | 12 | 55.4 Ų | 55.4 | 8% | 0.078 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 147.4 | -179 | -19.5 | 31.8 | 0 | 0 | 0 | 112.9 | V223 A246 A292 N293 | V223-P252 HydrophobicContact CB-CG 4.33Å; V223-P252 HydrophobicContact CG1-CB 3.83Å; V223-P252 HydrophobicContact CG1-CG 3.58Å; V223-P252 HydrophobicContact CG2-CB 4.38Å; V223-P252 HydrophobicContact CG2-CG 3.87Å; A246-P252 HydrophobicContact CB-CB 4.07Å; A246-P252 HydrophobicContact CB-CG 4.09Å; P252-A292 HydrophobicContact CB-CB 4.23Å; P252-N293 CarbonylContact C-O 3.54Å; P252-N293 WeakPolarHBondContact CA-O 3.22Å |
| 253 | L | 85.7 | Confident | 85.4 | Confident | 122 Ų | 122 | 60.8 Ų | 60.8 | 64% | 0.639 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 114.2 | 168.7 | -172.7 | 72.4 | 0 | 0 | 0 | 109.5 | N293 | L253-N293 PolarHBondContact N-O 2.83Å; L253-N293 PolarHBondContact O-N 2.73Å |
| 254 | V | 88.6 | Confident | 85.6 | Confident | 19 Ų | 19 | 61.9 Ų | 61.9 | 12% | 0.115 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 142.5 | 176.9 | 175.5 | 0 | 0 | 0 | 0 | 110.3 | C244 A246 T273 R291 A292 | C244-V254 HydrophobicContact CB-CG1 4.47Å; A246-V254 HydrophobicContact CB-CG2 4.27Å; V254-T273 HydrophobicContact CB-CG2 4.16Å; V254-T273 HydrophobicContact CG2-CG2 3.88Å; V254-R291 CarbonylContact C-O 3.56Å; V254-A292 HydrophobicContact CG2-CB 4.17Å |
| 255 | S | 89.3 | Confident | 85.6 | Confident | 43 Ų | 43 | 63.7 Ų | 63.7 | 30% | 0.301 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 147.7 | 178.8 | 51.7 | 0 | 0 | 0 | 0 | 109.5 | R291 N293 | S255-R291 PolarHBondContact N-O 2.96Å; S255-R291 PolarHBondContact O-N 3.4Å; S255-R291 PolarHBondContact OG-O 2.99Å; S255-N293 PolarHBondContact OG-ND2 3.36Å |
| 256 | W | 93.6 | Very high | 85.7 | Confident | 27 Ų | 27 | 69.4 Ų | 69.4 | 10% | 0.102 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 147 | -179.3 | -72.4 | 89 | 0 | 0 | 0 | 111.5 | P229 M242 C244 I264 T273 L275 V289 C290 | P229-W256 HydrophobicContact CB-CH2 3.88Å; P229-W256 HydrophobicContact CB-CZ3 4.34Å; P229-W256 HydrophobicContact CG-CH2 4.04Å; P229-W256 HydrophobicContact CG-CZ3 4.25Å; M242-W256 HydrophobicContact CB-CH2 3.72Å; M242-W256 HydrophobicContact CB-CZ2 4.44Å; M242-W256 HydrophobicContact CB-CZ3 4.22Å; M242-W256 VanDerWaalsContact O-CZ2 3.23Å; M242-W256 WeakPolarHBondContact O-CZ2 3.43Å; C244-W256 HydrophobicContact CB-CH2 3.95Å; C244-W256 HydrophobicContact CB-CZ2 3.41Å; C244-W256 VanDerWaalsContact CB-CZ2 3.41Å; W256-I264 HydrophobicContact CB-CD1 3.68Å; W256-I264 WeakPolarHBondContact O-CD1 3.45Å; W256-T273 PolarHBondContact NE1-O 2.81Å; W256-L275 HydrophobicContact CB-CD1 4.04Å; W256-L275 HydrophobicContact CD2-CB 3.81Å; W256-L275 HydrophobicContact CD2-CD1 3.92Å; W256-L275 HydrophobicContact CE3-CB 4.19Å; W256-L275 HydrophobicContact CE3-CD1 3.92Å; W256-L275 HydrophobicContact CG-CB 4.21Å; W256-L275 HydrophobicContact CG-CD1 4Å; W256-L275 HydrophobicContact CH2-CB 4.27Å; W256-L275 HydrophobicContact CZ2-CB 3.95Å; W256-L275 HydrophobicContact CZ3-CB 4.41Å; W256-V289 WeakPolarHBondContact CA-O 3.43Å; W256-C290 HydrophobicContact CD2-CB 4.15Å; W256-C290 HydrophobicContact CE3-CB 4Å; W256-C290 HydrophobicContact CH2-CB 3.96Å; W256-C290 HydrophobicContact CZ2-CB 4.07Å; W256-C290 HydrophobicContact CZ3-CB 3.91Å |
| 257 | S | 92.4 | Very high | 85.7 | Confident | 60 Ų | 60 | 71.4 Ų | 71.4 | 42% | 0.42 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 159.7 | 172.2 | 57.3 | 0 | 0 | 0 | 0 | 110.6 | V289 | S257-V289 PolarHBondContact N-O 3.2Å; S257-V289 PolarHBondContact O-N 3.37Å |
| 258 | R | 93.6 | Very high | 85.9 | Confident | 25 Ų | 25 | 66.2 Ų | 66.2 | 9% | 0.094 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 142.4 | 167.5 | -63.5 | 176.3 | 57.5 | 109.6 | 1.6 | 110.4 | D260 G261 I264 H283 A285 Y288 | R258-D260 WeakPolarHBondContact CB-OD1 3.15Å; R258-D260 IonicContact CZ-OD1 2.65Å; R258-D260 IonicContact CZ-OD2 3.57Å; R258-D260 IonicContact NE-OD1 3.05Å; R258-D260 PolarHBondContact NE-OD1 3.36Å; R258-D260 IonicContact NE-OD2 2.68Å; R258-D260 PolarHBondContact NE-OD2 3.44Å; R258-D260 IonicContact NH2-OD1 3.16Å; R258-D260 IonicContact NH2-OD2 3.65Å; R258-D260 PolarHBondContact NH2-OD2 3.08Å; R258-D260 PolarHBondContact O-N 2.6Å; R258-G261 PolarHBondContact O-N 2.88Å; R258-I264 HydrophobicContact CG-CG1 4.06Å; R258-H283 PolarHBondContact NH1-O 3.11Å; R258-A285 PolarHBondContact NH1-O 2.89Å; R258-A285 PolarHBondContact NH2-O 3.16Å; R258-Y288 HydrophobicContact CG-CD1 4.13Å; R258-Y288 HydrophobicContact CG-CE1 4.02Å |
| 259 | Q | 93.3 | Very high | 86.1 | Confident | 132 Ų | 132 | 67.8 Ų | 67.8 | 62% | 0.617 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -26.7 | 177.2 | -171 | 174.6 | -9.8 | 0 | 0 | 112.3 | G261 V287 V289 | Q259-G261 PolarHBondContact O-N 2.81Å; Q259-V287 HydrophobicContact CB-CB 3.99Å; Q259-V287 HydrophobicContact CB-CG1 4.27Å; Q259-V287 PolarHBondContact N-O 3.39Å; Q259-V289 HydrophobicContact CB-CG2 3.96Å |
| 260 | D | 90.2 | Very high | 86.4 | Confident | 70 Ų | 70 | 67.7 Ų | 67.7 | 37% | 0.374 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 4.3 | 176.5 | 70.5 | -4.1 | 0 | 0 | 0 | 114.1 | R258 K262 | R258-D260 WeakPolarHBondContact CB-OD1 3.15Å; R258-D260 IonicContact CZ-OD1 2.65Å; R258-D260 IonicContact CZ-OD2 3.57Å; R258-D260 IonicContact NE-OD1 3.05Å; R258-D260 PolarHBondContact NE-OD1 3.36Å; R258-D260 IonicContact NE-OD2 2.68Å; R258-D260 PolarHBondContact NE-OD2 3.44Å; R258-D260 IonicContact NH2-OD1 3.16Å; R258-D260 IonicContact NH2-OD2 3.65Å; R258-D260 PolarHBondContact NH2-OD2 3.08Å; R258-D260 PolarHBondContact O-N 2.6Å; D260-K262 PolarHBondContact O-N 2.97Å; D260-K262 VanDerWaalsContact O-N 3.12Å; D260-K262 WeakPolarHBondContact OD1-CB 3.21Å; D260-K262 PolarHBondContact OD1-N 3.18Å; D260-K262 WeakPolarHBondContact OD2-CD 3.3Å; D260-K262 WeakPolarHBondContact OD2-CE 3.35Å; D260-K262 IonicContact OD2-NZ 3.62Å; D260-K262 PolarHBondContact OD2-NZ 2.9Å |
| 261 | G | 87.4 | Confident | 86.2 | Confident | 71 Ų | 71 | 67.4 Ų | 67.4 | 73% | 0.732 | 38% | 0.383 | S | S | * | . | S | Bend | trans | 70.6 | -0.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R258 Q259 | R258-G261 PolarHBondContact O-N 2.88Å; Q259-G261 PolarHBondContact O-N 2.81Å |
| 262 | K | 87.3 | Confident | 86 | Confident | 124 Ų | 124 | 64.7 Ų | 64.7 | 54% | 0.539 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 148.7 | 175 | -62.4 | -178.2 | -166.4 | 129.2 | 0 | 110.1 | D260 | D260-K262 PolarHBondContact O-N 2.97Å; D260-K262 VanDerWaalsContact O-N 3.12Å; D260-K262 WeakPolarHBondContact OD1-CB 3.21Å; D260-K262 PolarHBondContact OD1-N 3.18Å; D260-K262 WeakPolarHBondContact OD2-CD 3.3Å; D260-K262 WeakPolarHBondContact OD2-CE 3.35Å; D260-K262 IonicContact OD2-NZ 3.62Å; D260-K262 PolarHBondContact OD2-NZ 2.9Å |
| 263 | P | 87.5 | Confident | 85.7 | Confident | 117 Ų | 117 | 65 Ų | 65 | 76% | 0.76 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 146.8 | 169.7 | 26.7 | -34.5 | 0 | 0 | 0 | 110.2 | ||
| 264 | I | 89 | Confident | 85.6 | Confident | 46 Ų | 46 | 59.2 Ų | 59.2 | 24% | 0.236 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 134 | 166.3 | -68.7 | 173.6 | 0 | 0 | 0 | 107.4 | W256 R258 V268 L275 Y288 | W256-I264 HydrophobicContact CB-CD1 3.68Å; W256-I264 WeakPolarHBondContact O-CD1 3.45Å; R258-I264 HydrophobicContact CG-CG1 4.06Å; I264-V268 HydrophobicContact CG2-CB 3.6Å; I264-V268 HydrophobicContact CG2-CG1 3.66Å; I264-V268 HydrophobicContact CG2-CG2 4.16Å; I264-L275 HydrophobicContact CD1-CD1 4.11Å; I264-Y288 HydrophobicContact CG1-CE1 4.4Å |
| 265 | S | 87.5 | Confident | 85.5 | Confident | 38 Ų | 38 | 58.3 Ų | 58.3 | 27% | 0.266 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 150 | -177.8 | -167 | 0 | 0 | 0 | 0 | 111.4 | D267 V268 | S265-D267 VanDerWaalsContact C-N 3.25Å; S265-D267 WeakPolarHBondContact CB-OD1 3.45Å; S265-D267 PolarHBondContact O-N 3.49Å; S265-D267 PolarHBondContact OG-OD1 3.03Å; S265-V268 VanDerWaalsContact O-CB 3.32Å; S265-V268 WeakPolarHBondContact O-CB 3.47Å; S265-V268 PolarHBondContact O-N 3.01Å |
| 266 | T | 84.8 | Confident | 85.3 | Confident | 147 Ų | 147 | 56.8 Ų | 56.8 | 90% | 0.902 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -17.2 | -173.3 | 50.5 | 0 | 0 | 0 | 0 | 114.1 | V268 | T266-V268 VanDerWaalsContact C-N 3.3Š|
| 267 | D | 83.6 | Confident | 85.1 | Confident | 53 Ų | 53 | 55.5 Ų | 55.5 | 28% | 0.283 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 1.4 | 171.2 | 52.8 | -18.3 | 0 | 0 | 0 | 113.7 | S265 R281 H284 | S265-D267 VanDerWaalsContact C-N 3.25Å; S265-D267 WeakPolarHBondContact CB-OD1 3.45Å; S265-D267 PolarHBondContact O-N 3.49Å; S265-D267 PolarHBondContact OG-OD1 3.03Å; D267-R281 IonicContact OD2-NH1 2.78Å; D267-H284 IonicContact OD1-CE1 3.57Å; D267-H284 IonicContact OD1-NE2 2.65Å; D267-H284 PolarHBondContact OD1-NE2 3.49Å; D267-H284 IonicContact OD2-CE1 3.6Å; D267-H284 PolarHBondContact OD2-CE1 3.45Å; D267-H284 IonicContact OD2-NE2 2.8Å; D267-H284 PolarHBondContact OD2-NE2 3.36Å |
| 268 | V | 85.4 | Confident | 84.6 | Confident | 14 Ų | 14 | 61.7 Ų | 61.7 | 9% | 0.085 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 121.7 | 170.4 | -179.2 | 0 | 0 | 0 | 0 | 109.8 | I264 S265 T266 L275 I277 | I264-V268 HydrophobicContact CG2-CB 3.6Å; I264-V268 HydrophobicContact CG2-CG1 3.66Å; I264-V268 HydrophobicContact CG2-CG2 4.16Å; S265-V268 VanDerWaalsContact O-CB 3.32Å; S265-V268 WeakPolarHBondContact O-CB 3.47Å; S265-V268 PolarHBondContact O-N 3.01Å; T266-V268 VanDerWaalsContact C-N 3.3Å; V268-L275 HydrophobicContact CG1-CD1 3.87Å; V268-L275 HydrophobicContact CG1-CD2 3.57Å; V268-L275 HydrophobicContact CG1-CG 3.46Å; V268-L275 VanDerWaalsContact CG1-CG 3.46Å; V268-I277 HydrophobicContact CG1-CG1 4.15Å; V268-I277 HydrophobicContact CG2-CD1 4.05Å; V268-I277 HydrophobicContact CG2-CG1 4.02Å |
| 269 | I | 81.3 | Confident | 84.2 | Confident | 55 Ų | 55 | 63.4 Ų | 63.4 | 28% | 0.282 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 123.4 | -175.2 | -50.5 | 175.8 | 0 | 0 | 0 | 109.3 | L271 V276 R278 | I269-L271 HydrophobicContact CG2-CD2 3.61Å; I269-L271 HydrophobicContact CG2-CG 3.8Å; I269-V276 PolarHBondContact N-O 2.94Å; I269-V276 PolarHBondContact O-N 2.9Å; I269-R278 HydrophobicContact CD1-CG 4.38Å |
| 270 | V | 79.2 | Confident | 84 | Confident | 71 Ų | 71 | 57.1 Ų | 57.1 | 43% | 0.43 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 103.1 | 171.1 | -179.8 | 0 | 0 | 0 | 0 | 109.3 | A272 N274 | V270-A272 PolarHBondContact O-N 2.87Å; V270-N274 CarbonylContact C-O 3.53Å; V270-N274 WeakPolarHBondContact CA-O 3.38Å |
| 271 | L | 70.6 | Confident | 84 | Confident | 61 Ų | 61 | 59.3 Ų | 59.3 | 32% | 0.319 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 93.6 | 178.6 | -66.2 | -178.6 | 0 | 0 | 0 | 109.9 | I172 I269 T273 N274 V276 | I172-L271 HydrophobicContact CD1-CB 4.38Å; I172-L271 HydrophobicContact CG2-CB 4.2Å; I172-L271 HydrophobicContact CG2-CD1 4.11Å; I269-L271 HydrophobicContact CG2-CD2 3.61Å; I269-L271 HydrophobicContact CG2-CG 3.8Å; L271-T273 PolarHBondContact O-N 2.92Å; L271-N274 PolarHBondContact N-O 2.95Å; L271-N274 PolarHBondContact O-N 2.97Å; L271-V276 HydrophobicContact CD1-CG2 4.19Å |
| 272 | A | 71.9 | Confident | 84.2 | Confident | 52 Ų | 52 | 63.1 Ų | 63.1 | 43% | 0.43 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | -63.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | I172 L182 V270 | I172-A272 HydrophobicContact CD1-CB 3.83Å; L182-A272 HydrophobicContact CD1-CB 3.41Å; L182-A272 VanDerWaalsContact CD1-CB 3.41Å; V270-A272 PolarHBondContact O-N 2.87Å |
| 273 | T | 77.4 | Confident | 84.3 | Confident | 18 Ų | 18 | 62.1 Ų | 62.1 | 11% | 0.11 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | -18.1 | 176.9 | 62 | 0 | 0 | 0 | 0 | 113.1 | Q180 C244 V254 W256 L271 | Q180-T273 PolarHBondContact OE1-OG1 2.91Å; C244-T273 WeakPolarHBondContact O-CB 3.28Å; V254-T273 HydrophobicContact CB-CG2 4.16Å; V254-T273 HydrophobicContact CG2-CG2 3.88Å; W256-T273 PolarHBondContact NE1-O 2.81Å; L271-T273 PolarHBondContact O-N 2.92Å |
| 274 | N | 82.7 | Confident | 84.5 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 149.6 | -171.1 | -52 | -40.6 | 0 | 0 | 0 | 111.6 | L174 Q180 M242 E243 C244 V270 L271 | L174-N274 HydrophobicContact CD1-CB 4.47Å; L174-N274 VanDerWaalsContact CD1-ND2 3.27Å; L174-N274 WeakPolarHBondContact CD1-ND2 3.45Å; Q180-N274 VanDerWaalsContact CD-ND2 3.35Å; Q180-N274 PolarHBondContact NE2-ND2 2.94Å; Q180-N274 PolarHBondContact OE1-ND2 3.25Å; M242-N274 WeakPolarHBondContact O-CA 3.32Å; E243-N274 WeakPolarHBondContact CA-OD1 3.35Å; E243-N274 WeakPolarHBondContact CG-OD1 3.4Å; C244-N274 PolarHBondContact N-OD1 2.9Å; V270-N274 CarbonylContact C-O 3.53Å; V270-N274 WeakPolarHBondContact CA-O 3.38Å; L271-N274 PolarHBondContact N-O 2.95Å; L271-N274 PolarHBondContact O-N 2.97Å |
| 275 | L | 87.8 | Confident | 84.7 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 122.8 | 173.9 | -178.7 | 150.9 | 0 | 0 | 0 | 108.9 | M242 W256 I264 V268 I277 Y288 | M242-L275 HydrophobicContact CB-CB 4.31Å; M242-L275 HydrophobicContact CB-CD2 4.47Å; M242-L275 PolarHBondContact N-O 2.86Å; M242-L275 PolarHBondContact O-N 2.67Å; W256-L275 HydrophobicContact CB-CD1 4.04Å; W256-L275 HydrophobicContact CD2-CB 3.81Å; W256-L275 HydrophobicContact CD2-CD1 3.92Å; W256-L275 HydrophobicContact CE3-CB 4.19Å; W256-L275 HydrophobicContact CE3-CD1 3.92Å; W256-L275 HydrophobicContact CG-CB 4.21Å; W256-L275 HydrophobicContact CG-CD1 4Å; W256-L275 HydrophobicContact CH2-CB 4.27Å; W256-L275 HydrophobicContact CZ2-CB 3.95Å; W256-L275 HydrophobicContact CZ3-CB 4.41Å; I264-L275 HydrophobicContact CD1-CD1 4.11Å; V268-L275 HydrophobicContact CG1-CD1 3.87Å; V268-L275 HydrophobicContact CG1-CD2 3.57Å; V268-L275 HydrophobicContact CG1-CG 3.46Å; V268-L275 VanDerWaalsContact CG1-CG 3.46Å; L275-I277 HydrophobicContact CD2-CD1 4.27Å; L275-I277 HydrophobicContact CD2-CG1 4.01Å; L275-Y288 HydrophobicContact CD1-CD1 3.42Å; L275-Y288 VanDerWaalsContact CD1-CD1 3.42Å; L275-Y288 HydrophobicContact CD1-CE1 3.67Å; L275-Y288 HydrophobicContact CD1-CG 4.36Å; L275-Y288 HydrophobicContact CD2-CD1 4.29Å; L275-Y288 HydrophobicContact CD2-CE1 4.11Å |
| 276 | V | 85.6 | Confident | 85 | Confident | 10 Ų | 10 | 55 Ų | 55 | 6% | 0.061 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 128.9 | -172.9 | -178.5 | 0 | 0 | 0 | 0 | 110 | L174 V241 I269 L271 | L174-V276 HydrophobicContact CD2-CG2 4.19Å; V241-V276 HydrophobicContact CG1-CG2 4.39Å; V241-V276 HydrophobicContact CG2-CG1 4.48Å; V241-V276 HydrophobicContact CG2-CG2 4.5Å; I269-V276 PolarHBondContact N-O 2.94Å; I269-V276 PolarHBondContact O-N 2.9Å; L271-V276 HydrophobicContact CD1-CG2 4.19Å |
| 277 | I | 88.8 | Confident | 85.5 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 120.5 | 174.5 | -47.6 | -169 | 0 | 0 | 0 | 106.6 | P239 A240 V268 L275 T280 H284 L307 | P239-I277 CarbonylContact C-O 3.54Å; P239-I277 WeakPolarHBondContact CA-O 3.11Å; P239-I277 WeakPolarHBondContact CB-O 3.48Å; A240-I277 HydrophobicContact CB-CB 4.18Å; A240-I277 HydrophobicContact CB-CG1 4.42Å; A240-I277 PolarHBondContact N-O 3.39Å; A240-I277 PolarHBondContact O-N 2.78Å; V268-I277 HydrophobicContact CG1-CG1 4.15Å; V268-I277 HydrophobicContact CG2-CD1 4.05Å; V268-I277 HydrophobicContact CG2-CG1 4.02Å; L275-I277 HydrophobicContact CD2-CD1 4.27Å; L275-I277 HydrophobicContact CD2-CG1 4.01Å; I277-T280 HydrophobicContact CB-CG2 4.35Å; I277-T280 HydrophobicContact CG2-CG2 4.04Å; I277-H284 HydrophobicContact CD1-CB 3.83Å; I277-H284 VanDerWaalsContact CG2-ND1 3.33Å; I277-H284 WeakPolarHBondContact CG2-ND1 3.37Å; I277-L307 HydrophobicContact CD1-CD2 3.63Å |
| 278 | R | 82.1 | Confident | 86 | Confident | 189 Ų | 189 | 47.3 Ų | 47.3 | 71% | 0.713 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -79.4 | -35.4 | -176.9 | -70.1 | -178.5 | 171.6 | 174.8 | -2.8 | 113.4 | I269 | I269-R278 HydrophobicContact CD1-CG 4.38Š|
| 279 | D | 84.4 | Confident | 86.5 | Confident | 62 Ų | 62 | 47.7 Ų | 47.7 | 33% | 0.332 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -133.1 | 104.9 | -178.3 | 165.7 | 25.1 | 0 | 0 | 0 | 107.6 | G237 R281 H284 | G237-D279 WeakPolarHBondContact CA-OD1 3.31Å; D279-R281 IonicContact OD2-CZ 2.99Å; D279-R281 IonicContact OD2-NE 2.67Å; D279-R281 PolarHBondContact OD2-NE 2.83Å; D279-R281 IonicContact OD2-NH2 3.95Å; D279-R281 PolarHBondContact OD2-NH2 2.81Å; D279-H284 PolarHBondContact O-CE1 3.47Å; D279-H284 PolarHBondContact O-ND1 2.9Å |
| 280 | T | 88.6 | Confident | 87.1 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -76 | 132.9 | -179.1 | 47.2 | 0 | 0 | 0 | 0 | 112.5 | V234 V235 G237 H238 A240 I277 | V234-T280 HydrophobicContact CB-CG2 4.25Å; V234-T280 HydrophobicContact CG1-CG2 3.83Å; V235-T280 PolarHBondContact O-OG1 2.91Å; G237-T280 PolarHBondContact N-O 2.85Å; G237-T280 PolarHBondContact N-OG1 3.31Å; H238-T280 PolarHBondContact N-OG1 2.03Å; H238-T280 VanDerWaalsContact O-CB 3.3Å; H238-T280 WeakPolarHBondContact O-CB 3.49Å; H238-T280 WeakPolarHBondContact O-CG2 3.21Å; H238-T280 PolarHBondContact O-N 3.3Å; H238-T280 VanDerWaalsContact O-N 3.08Å; H238-T280 PolarHBondContact O-OG1 3.15Å; A240-T280 HydrophobicContact CB-CG2 3.63Å; I277-T280 HydrophobicContact CB-CG2 4.35Å; I277-T280 HydrophobicContact CG2-CG2 4.04Å | ||
| 281 | R | 92.1 | Very high | 87.7 | Confident | 116 Ų | 116 | 46.9 Ų | 46.9 | 44% | 0.438 | 22% | 0.224 | S | C | . | . | trans | -129.1 | 156.4 | -177.6 | -64 | 173.1 | 177.1 | -175 | -3.9 | 108.6 | D267 D279 H283 H284 | D267-R281 IonicContact OD2-NH1 2.78Å; D279-R281 IonicContact OD2-CZ 2.99Å; D279-R281 IonicContact OD2-NE 2.67Å; D279-R281 PolarHBondContact OD2-NE 2.83Å; D279-R281 IonicContact OD2-NH2 3.95Å; D279-R281 PolarHBondContact OD2-NH2 2.81Å; R281-H283 PolarHBondContact O-N 2.9Å; R281-H284 PolarHBondContact N-ND1 2.78Å; R281-H284 VanDerWaalsContact N-ND1 3.2Å; R281-H284 VanDerWaalsContact O-CB 3.29Å; R281-H284 WeakPolarHBondContact O-CB 3.22Å; R281-H284 PolarHBondContact O-N 3.25Å | ||
| 282 | R | 90.1 | Very high | 88.7 | Confident | 151 Ų | 151 | 44 Ų | 44 | 57% | 0.57 | 21% | 0.209 | S | C | * | . | G | 310 helix | trans | -53.4 | -30.1 | -175.2 | -60.7 | -171 | -176.8 | -157.7 | 2 | 114.5 | L236 H284 A285 | L236-R282 HydrophobicContact CD1-CG 3.77Å; R282-H284 VanDerWaalsContact C-N 3.35Å; R282-A285 WeakPolarHBondContact O-CB 3.48Å; R282-A285 PolarHBondContact O-N 2.86Å |
| 283 | H | 90.1 | Very high | 89.5 | Confident | 102 Ų | 102 | 43.4 Ų | 43.4 | 47% | 0.472 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -79.3 | -13.1 | 178.7 | 69.5 | -96.7 | 0 | 0 | 0 | 114.4 | R258 R281 A285 | R258-H283 PolarHBondContact NH1-O 3.11Å; R281-H283 PolarHBondContact O-N 2.9Å; H283-A285 PolarHBondContact O-N 3.46Å |
| 284 | H | 92.5 | Very high | 89.9 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -71.6 | -15.4 | 170.2 | -64.1 | 150.3 | 0 | 0 | 0 | 112.4 | D267 I277 D279 R281 R282 Y288 L307 V309 | D267-H284 IonicContact OD1-CE1 3.57Å; D267-H284 IonicContact OD1-NE2 2.65Å; D267-H284 PolarHBondContact OD1-NE2 3.49Å; D267-H284 IonicContact OD2-CE1 3.6Å; D267-H284 PolarHBondContact OD2-CE1 3.45Å; D267-H284 IonicContact OD2-NE2 2.8Å; D267-H284 PolarHBondContact OD2-NE2 3.36Å; I277-H284 HydrophobicContact CD1-CB 3.83Å; I277-H284 VanDerWaalsContact CG2-ND1 3.33Å; I277-H284 WeakPolarHBondContact CG2-ND1 3.37Å; D279-H284 PolarHBondContact O-CE1 3.47Å; D279-H284 PolarHBondContact O-ND1 2.9Å; R281-H284 PolarHBondContact N-ND1 2.78Å; R281-H284 VanDerWaalsContact N-ND1 3.2Å; R281-H284 VanDerWaalsContact O-CB 3.29Å; R281-H284 WeakPolarHBondContact O-CB 3.22Å; R281-H284 PolarHBondContact O-N 3.25Å; R282-H284 VanDerWaalsContact C-N 3.35Å; H284-Y288 WeakPolarHBondContact O-CE2 3.48Å; H284-Y288 PolarHBondContact O-OH 3.39Å; H284-Y288 VanDerWaalsContact O-OH 3.11Å; H284-L307 HydrophobicContact CB-CD2 4.43Å; H284-V309 HydrophobicContact CB-CG2 4.46Å |
| 285 | A | 92.1 | Very high | 89.9 | Confident | 35 Ų | 35 | 46 Ų | 46 | 29% | 0.289 | 21% | 0.213 | S | C | . | . | trans | -62.9 | 148.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | R258 R282 H283 L307 V309 | R258-A285 PolarHBondContact NH1-O 2.89Å; R258-A285 PolarHBondContact NH2-O 3.16Å; R282-A285 WeakPolarHBondContact O-CB 3.48Å; R282-A285 PolarHBondContact O-N 2.86Å; H283-A285 PolarHBondContact O-N 3.46Å; A285-L307 CarbonylContact C-O 3.55Å; A285-L307 WeakPolarHBondContact CA-O 3.19Å; A285-V309 HydrophobicContact CB-CB 4.46Å; A285-V309 HydrophobicContact CB-CG2 4.13Å | ||
| 286 | G | 93.1 | Very high | 89.5 | Confident | 17 Ų | 17 | 56.6 Ų | 56.6 | 18% | 0.175 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 130.7 | -179.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y288 L307 | G286-Y288 WeakPolarHBondContact O-CD2 3.27Å; G286-L307 PolarHBondContact N-O 2.83Å; G286-L307 PolarHBondContact O-N 3.41Å |
| 287 | V | 95.6 | Very high | 89.3 | Confident | 37 Ų | 37 | 59.4 Ų | 59.4 | 22% | 0.224 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 123.5 | -177.2 | -169 | 0 | 0 | 0 | 0 | 111.3 | Q259 A304 A305 E306 | Q259-V287 HydrophobicContact CB-CB 3.99Å; Q259-V287 HydrophobicContact CB-CG1 4.27Å; Q259-V287 PolarHBondContact N-O 3.39Å; V287-A304 HydrophobicContact CG1-CB 4.09Å; V287-A305 WeakPolarHBondContact CA-O 3.15Å; V287-A305 WeakPolarHBondContact CG1-O 3.19Å; V287-E306 HydrophobicContact CG2-CB 4.04Å; V287-E306 HydrophobicContact CG2-CG 3.96Å |
| 288 | Y | 94.8 | Very high | 89 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 139.4 | 173.2 | -67.2 | -103.3 | 0 | 0 | 0 | 109.9 | M242 R258 I264 L275 H284 G286 A304 A305 L307 | M242-Y288 HydrophobicContact CE-CD2 3.81Å; M242-Y288 HydrophobicContact CE-CG 3.99Å; R258-Y288 HydrophobicContact CG-CD1 4.13Å; R258-Y288 HydrophobicContact CG-CE1 4.02Å; I264-Y288 HydrophobicContact CG1-CE1 4.4Å; L275-Y288 HydrophobicContact CD1-CD1 3.42Å; L275-Y288 VanDerWaalsContact CD1-CD1 3.42Å; L275-Y288 HydrophobicContact CD1-CE1 3.67Å; L275-Y288 HydrophobicContact CD1-CG 4.36Å; L275-Y288 HydrophobicContact CD2-CD1 4.29Å; L275-Y288 HydrophobicContact CD2-CE1 4.11Å; H284-Y288 WeakPolarHBondContact O-CE2 3.48Å; H284-Y288 PolarHBondContact O-OH 3.39Å; H284-Y288 VanDerWaalsContact O-OH 3.11Å; G286-Y288 WeakPolarHBondContact O-CD2 3.27Å; Y288-A304 VanDerWaalsContact O-CA 3.25Å; Y288-A304 WeakPolarHBondContact O-CA 3.24Å; Y288-A305 PolarHBondContact N-O 2.92Å; Y288-A305 PolarHBondContact O-N 2.97Å; Y288-L307 HydrophobicContact CD2-CB 4.35Å; Y288-L307 HydrophobicContact CE2-CB 4.17Å; Y288-L307 HydrophobicContact CE2-CD2 4.22Å |
| 289 | V | 95 | Very high | 89 | Confident | 23 Ų | 23 | 66.4 Ų | 66.4 | 14% | 0.139 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 118.1 | -179.8 | -172.7 | 0 | 0 | 0 | 0 | 108.3 | W256 S257 Q259 F302 A303 A304 | W256-V289 WeakPolarHBondContact CA-O 3.43Å; S257-V289 PolarHBondContact N-O 3.2Å; S257-V289 PolarHBondContact O-N 3.37Å; Q259-V289 HydrophobicContact CB-CG2 3.96Å; V289-F302 HydrophobicContact CG1-CB 4.22Å; V289-F302 HydrophobicContact CG1-CD2 4.38Å; V289-A303 WeakPolarHBondContact CA-O 3.5Å; V289-A304 HydrophobicContact CB-CB 4.46Å; V289-A304 HydrophobicContact CG1-CB 4.48Å; V289-A304 HydrophobicContact CG2-CB 3.98Å |
| 290 | C | 94.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 138.2 | 165.2 | 171.1 | 0 | 0 | 0 | 0 | 110 | P229 C244 W256 F302 A303 | P229-C290 HydrophobicContact CG-CB 4.43Å; C244-C290 HydrophobicContact CB-CB 3.49Å; C244-C290 VanDerWaalsContact CB-CB 3.49Å; C244-C290 WeakPolarHBondContact CB-SG 3.38Å; C244-C290 WeakPolarHBondContact SG-CB 3.49Å; C244-C290 CovalentContact SG-SG 2Å; C244-C290 PolarHBondContact SG-SG 2.83Å; W256-C290 HydrophobicContact CD2-CB 4.15Å; W256-C290 HydrophobicContact CE3-CB 4Å; W256-C290 HydrophobicContact CH2-CB 3.96Å; W256-C290 HydrophobicContact CZ2-CB 4.07Å; W256-C290 HydrophobicContact CZ3-CB 3.91Å; C290-F302 CarbonylContact O-C 3.55Å; C290-F302 WeakPolarHBondContact O-CA 3.19Å; C290-F302 WeakPolarHBondContact O-CB 3.29Å; C290-A303 PolarHBondContact N-O 2.8Å; C290-A303 PolarHBondContact O-N 2.9Å |
| 291 | R | 92.6 | Very high | 89.5 | Confident | 109 Ų | 109 | 70.6 Ų | 70.6 | 41% | 0.411 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 120.1 | 175.3 | 175.9 | -177.5 | 169.5 | 176.1 | -1.8 | 110.2 | V254 S255 N293 F300 V301 F302 | V254-R291 CarbonylContact C-O 3.56Å; S255-R291 PolarHBondContact N-O 2.96Å; S255-R291 PolarHBondContact O-N 3.4Å; S255-R291 PolarHBondContact OG-O 2.99Å; R291-N293 VanDerWaalsContact CZ-OD1 3.27Å; R291-N293 PolarHBondContact NE-OD1 2.9Å; R291-N293 PolarHBondContact NH2-OD1 2.94Å; R291-F300 HydrophobicContact CG-CD2 4.31Å; R291-V301 WeakPolarHBondContact CA-O 3.13Å; R291-F302 HydrophobicContact CB-CB 4.43Å |
| 292 | A | 91.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 118.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | V223 I225 A246 P252 V254 F300 V301 | V223-A292 HydrophobicContact CG1-CB 4.2Å; I225-A292 HydrophobicContact CG1-CB 4.31Å; A246-A292 HydrophobicContact CB-CB 3.39Å; P252-A292 HydrophobicContact CB-CB 4.23Å; V254-A292 HydrophobicContact CG2-CB 4.17Å; A292-F300 WeakPolarHBondContact O-CA 3.5Å; A292-F300 WeakPolarHBondContact O-CB 3.46Å; A292-V301 HydrophobicContact CB-CG2 4.17Å; A292-V301 PolarHBondContact N-O 3.06Å; A292-V301 PolarHBondContact O-N 2.86Å |
| 293 | N | 89 | Confident | 89.8 | Confident | 39 Ų | 39 | 65.5 Ų | 65.5 | 21% | 0.209 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 137.1 | -178.2 | -57 | -80.5 | 0 | 0 | 0 | 110.8 | P252 L253 S255 R291 P295 F300 | P252-N293 CarbonylContact C-O 3.54Å; P252-N293 WeakPolarHBondContact CA-O 3.22Å; L253-N293 PolarHBondContact N-O 2.83Å; L253-N293 PolarHBondContact O-N 2.73Å; S255-N293 PolarHBondContact OG-ND2 3.36Å; R291-N293 VanDerWaalsContact CZ-OD1 3.27Å; R291-N293 PolarHBondContact NE-OD1 2.9Å; R291-N293 PolarHBondContact NH2-OD1 2.94Å; N293-P295 WeakPolarHBondContact O-CD 3.45Å; N293-F300 HydrophobicContact CB-CB 4.43Å; N293-F300 WeakPolarHBondContact OD1-CB 3.33Å |
| 294 | K | 84.8 | Confident | 90 | Very high | 23 Ų | 23 | 63 Ų | 63 | 10% | 0.1 | 31% | 0.312 | C | S | . | . | trans | -80.9 | 117.3 | 174 | -171.2 | 177.7 | -173.2 | 163.8 | 0 | 110.5 | G221 V223 Q249 K296 T297 E299 | G221-K294 PolarHBondContact O-NZ 3.26Å; V223-K294 HydrophobicContact CG2-CB 3.51Å; V223-K294 HydrophobicContact CG2-CD 3.97Å; V223-K294 HydrophobicContact CG2-CG 3.76Å; Q249-K294 WeakPolarHBondContact O-CE 3.35Å; K294-K296 PolarHBondContact O-N 2.83Å; K294-T297 WeakPolarHBondContact CB-OG1 3.36Å; K294-T297 HydrophobicContact CD-CG2 4.13Å; K294-T297 HydrophobicContact CG-CG2 4.23Å; K294-T297 PolarHBondContact O-N 3.24Å; K294-T297 PolarHBondContact O-OG1 3.27Å; K294-E299 HydrophobicContact CB-CB 3.95Å; K294-E299 WeakPolarHBondContact CB-O 3.29Å; K294-E299 HydrophobicContact CD-CB 4.02Å; K294-E299 HydrophobicContact CD-CG 4.41Å; K294-E299 WeakPolarHBondContact CD-OE2 3.48Å; K294-E299 WeakPolarHBondContact CE-OE2 3.41Å; K294-E299 PolarHBondContact N-O 2.82Å; K294-E299 IonicContact NZ-OE1 3.99Å; K294-E299 IonicContact NZ-OE2 3.82Å; K294-E299 PolarHBondContact NZ-OE2 2.93Å | ||
| 295 | P | 83 | Confident | 90.2 | Very high | 51 Ų | 51 | 63 Ų | 63 | 33% | 0.331 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 140.1 | -175.8 | -28 | 33.9 | 0 | 0 | 0 | 113.7 | P250 K251 N293 T297 | P250-P295 HydrophobicContact CG-CB 4.27Å; P250-P295 HydrophobicContact CG-CG 4.39Å; K251-P295 VanDerWaalsContact O-CD 3.28Å; K251-P295 WeakPolarHBondContact O-CD 3.48Å; K251-P295 WeakPolarHBondContact O-CG 3.23Å; N293-P295 WeakPolarHBondContact O-CD 3.45Å; P295-T297 PolarHBondContact O-N 3.25Å |
| 296 | K | 80.1 | Confident | 90.3 | Very high | 223 Ų | 223 | 64.8 Ų | 64.8 | 97% | 0.97 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 13.5 | 179.4 | -53.8 | 179 | 179.8 | 177.3 | 0 | 115.6 | K294 | K294-K296 PolarHBondContact O-N 2.83Š|
| 297 | T | 81.5 | Confident | 90.3 | Very high | 68 Ų | 68 | 64 Ų | 64 | 42% | 0.417 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -128.1 | -178.3 | 174.1 | 78.6 | 0 | 0 | 0 | 0 | 111.3 | K294 P295 E299 | K294-T297 WeakPolarHBondContact CB-OG1 3.36Å; K294-T297 HydrophobicContact CD-CG2 4.13Å; K294-T297 HydrophobicContact CG-CG2 4.23Å; K294-T297 PolarHBondContact O-N 3.24Å; K294-T297 PolarHBondContact O-OG1 3.27Å; P295-T297 PolarHBondContact O-N 3.25Å; T297-E299 PolarHBondContact OG1-N 2.85Å; T297-E299 VanDerWaalsContact OG1-N 3.14Å |
| 298 | R | 81.1 | Confident | 90.2 | Very high | 242 Ų | 242 | 66 Ų | 66 | 91% | 0.913 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -100 | 5.1 | 169.7 | -64.9 | -172.9 | 180 | -170.8 | 0.7 | 113.5 | F300 | R298-F300 WeakPolarHBondContact O-CD1 3.32Š|
| 299 | E | 83.6 | Confident | 90.1 | Very high | 95 Ų | 95 | 66.5 Ų | 66.5 | 44% | 0.444 | 32% | 0.316 | S | S | . | . | trans | -74 | 128.7 | 178.5 | -68.8 | 169 | -144.7 | 0 | 0 | 110.5 | K294 T297 | K294-E299 HydrophobicContact CB-CB 3.95Å; K294-E299 WeakPolarHBondContact CB-O 3.29Å; K294-E299 HydrophobicContact CD-CB 4.02Å; K294-E299 HydrophobicContact CD-CG 4.41Å; K294-E299 WeakPolarHBondContact CD-OE2 3.48Å; K294-E299 WeakPolarHBondContact CE-OE2 3.41Å; K294-E299 PolarHBondContact N-O 2.82Å; K294-E299 IonicContact NZ-OE1 3.99Å; K294-E299 IonicContact NZ-OE2 3.82Å; K294-E299 PolarHBondContact NZ-OE2 2.93Å; T297-E299 PolarHBondContact OG1-N 2.85Å; T297-E299 VanDerWaalsContact OG1-N 3.14Å | ||
| 300 | F | 89.6 | Confident | 89.8 | Confident | 102 Ų | 102 | 65.7 Ų | 65.7 | 45% | 0.447 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 157.9 | 171.9 | 67.2 | -88.7 | 0 | 0 | 0 | 111 | R291 A292 N293 R298 F302 | R291-F300 HydrophobicContact CG-CD2 4.31Å; A292-F300 WeakPolarHBondContact O-CA 3.5Å; A292-F300 WeakPolarHBondContact O-CB 3.46Å; N293-F300 HydrophobicContact CB-CB 4.43Å; N293-F300 WeakPolarHBondContact OD1-CB 3.33Å; R298-F300 WeakPolarHBondContact O-CD1 3.32Å; F300-F302 HydrophobicContact CD2-CD1 4.42Å; F300-F302 HydrophobicContact CE2-CD1 4.17Å |
| 301 | V | 92.9 | Very high | 89.5 | Confident | 48 Ų | 48 | 66 Ų | 66 | 29% | 0.291 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 157.2 | 171.6 | -71.5 | 0 | 0 | 0 | 0 | 108.8 | V223 I225 R291 A292 | V223-V301 HydrophobicContact CG1-CG2 3.81Å; I225-V301 HydrophobicContact CD1-CB 4.32Å; I225-V301 HydrophobicContact CD1-CG2 3.93Å; I225-V301 HydrophobicContact CG1-CG2 3.76Å; R291-V301 WeakPolarHBondContact CA-O 3.13Å; A292-V301 HydrophobicContact CB-CG2 4.17Å; A292-V301 PolarHBondContact N-O 3.06Å; A292-V301 PolarHBondContact O-N 2.86Å |
| 302 | F | 94.6 | Very high | 89.2 | Confident | 141 Ų | 141 | 63.8 Ų | 63.8 | 62% | 0.618 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 155.7 | 179.9 | 62.9 | -89.4 | 0 | 0 | 0 | 111.3 | V289 C290 R291 F300 | V289-F302 HydrophobicContact CG1-CB 4.22Å; V289-F302 HydrophobicContact CG1-CD2 4.38Å; C290-F302 CarbonylContact O-C 3.55Å; C290-F302 WeakPolarHBondContact O-CA 3.19Å; C290-F302 WeakPolarHBondContact O-CB 3.29Å; R291-F302 HydrophobicContact CB-CB 4.43Å; F300-F302 HydrophobicContact CD2-CD1 4.42Å; F300-F302 HydrophobicContact CE2-CD1 4.17Å |
| 303 | A | 95.1 | Very high | 89.1 | Confident | 19 Ų | 19 | 64 Ų | 64 | 16% | 0.157 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 151.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | I225 P228 P229 V289 C290 | I225-A303 HydrophobicContact CD1-CB 3.89Å; I225-A303 HydrophobicContact CG2-CB 4.47Å; P228-A303 HydrophobicContact CB-CB 3.7Å; P229-A303 HydrophobicContact CG-CB 4.42Å; V289-A303 WeakPolarHBondContact CA-O 3.5Å; C290-A303 PolarHBondContact N-O 2.8Å; C290-A303 PolarHBondContact O-N 2.9Å |
| 304 | A | 94.8 | Very high | 89 | Confident | 50 Ų | 50 | 65.6 Ų | 65.6 | 41% | 0.413 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 148.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V287 Y288 V289 | V287-A304 HydrophobicContact CG1-CB 4.09Å; Y288-A304 VanDerWaalsContact O-CA 3.25Å; Y288-A304 WeakPolarHBondContact O-CA 3.24Å; V289-A304 HydrophobicContact CB-CB 4.46Å; V289-A304 HydrophobicContact CG1-CB 4.48Å; V289-A304 HydrophobicContact CG2-CB 3.98Å |
| 305 | A | 95.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.008 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 150.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | P229 Q230 N231 M242 V287 Y288 | P229-A305 HydrophobicContact CB-CB 3.76Å; P229-A305 HydrophobicContact CG-CB 4.13Å; Q230-A305 VanDerWaalsContact C-CB 3.41Å; Q230-A305 WeakPolarHBondContact O-CB 3.48Å; N231-A305 WeakPolarHBondContact OD1-CA 3.42Å; M242-A305 HydrophobicContact CE-CB 3.95Å; M242-A305 HydrophobicContact SD-CB 4.13Å; V287-A305 WeakPolarHBondContact CA-O 3.15Å; V287-A305 WeakPolarHBondContact CG1-O 3.19Å; Y288-A305 PolarHBondContact N-O 2.92Å; Y288-A305 PolarHBondContact O-N 2.97Å |
| 306 | E | 95.3 | Very high | 89.4 | Confident | 73 Ų | 73 | 67.6 Ų | 67.6 | 34% | 0.341 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 128.7 | 177.2 | -165.3 | 163.7 | -176.8 | 0 | 0 | 111.7 | N231 A232 V287 H308 | N231-E306 VanDerWaalsContact CA-O 3.31Å; N231-E306 WeakPolarHBondContact CA-O 3.26Å; N231-E306 PolarHBondContact OD1-N 3.14Å; A232-E306 PolarHBondContact N-O 2.94Å; V287-E306 HydrophobicContact CG2-CB 4.04Å; V287-E306 HydrophobicContact CG2-CG 3.96Å; E306-H308 IonicContact OE1-CE1 3.47Å; E306-H308 PolarHBondContact OE1-CE1 3.2Å; E306-H308 IonicContact OE1-ND1 3.07Å; E306-H308 IonicContact OE2-CE1 2.91Å; E306-H308 IonicContact OE2-NE2 2.73Å |
| 307 | L | 93.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 115.1 | 168.6 | 178.8 | 62.3 | 0 | 0 | 0 | 109 | A232 V234 A240 I277 H284 A285 G286 Y288 | A232-L307 HydrophobicContact CB-CD1 4.13Å; A232-L307 WeakPolarHBondContact O-CA 3.4Å; V234-L307 HydrophobicContact CB-CD1 4.33Å; V234-L307 HydrophobicContact CG2-CD1 3.86Å; A240-L307 HydrophobicContact CB-CD1 4.06Å; A240-L307 HydrophobicContact CB-CD2 4.19Å; I277-L307 HydrophobicContact CD1-CD2 3.63Å; H284-L307 HydrophobicContact CB-CD2 4.43Å; A285-L307 CarbonylContact C-O 3.55Å; A285-L307 WeakPolarHBondContact CA-O 3.19Å; G286-L307 PolarHBondContact N-O 2.83Å; G286-L307 PolarHBondContact O-N 3.41Å; Y288-L307 HydrophobicContact CD2-CB 4.35Å; Y288-L307 HydrophobicContact CE2-CB 4.17Å; Y288-L307 HydrophobicContact CE2-CD2 4.22Å |
| 308 | H | 92 | Very high | 90 | Very high | 78 Ų | 78 | 62.5 Ų | 62.5 | 36% | 0.361 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 137.2 | 168.5 | -58.5 | -69.3 | 0 | 0 | 0 | 109.9 | A232 T233 V234 E306 | A232-H308 PolarHBondContact O-N 2.87Å; T233-H308 WeakPolarHBondContact CA-O 3.18Å; T233-H308 HydrophobicContact CG2-CB 4.23Å; V234-H308 PolarHBondContact N-O 2.93Å; E306-H308 IonicContact OE1-CE1 3.47Å; E306-H308 PolarHBondContact OE1-CE1 3.2Å; E306-H308 IonicContact OE1-ND1 3.07Å; E306-H308 IonicContact OE2-CE1 2.91Å; E306-H308 IonicContact OE2-NE2 2.73Å |
| 309 | V | 92.2 | Very high | 90.5 | Very high | 11 Ų | 11 | 51.3 Ų | 51.3 | 7% | 0.067 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 100.3 | 176.2 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | V234 L236 H284 A285 | V234-V309 CarbonylContact O-C 3.58Å; V234-V309 WeakPolarHBondContact O-CA 3.39Å; L236-V309 HydrophobicContact CB-CG1 4.03Å; L236-V309 HydrophobicContact CD1-CG1 4.49Å; H284-V309 HydrophobicContact CB-CG2 4.46Å; A285-V309 HydrophobicContact CB-CB 4.46Å; A285-V309 HydrophobicContact CB-CG2 4.13Å |
| 310 | A | 90 | Very high | 90.8 | Very high | 7 Ų | 7 | 54.3 Ų | 54.3 | 6% | 0.058 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 153.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | T233 V234 V235 L236 E339 L388 | T233-A310 HydrophobicContact CG2-CB 3.74Å; V234-A310 PolarHBondContact O-N 3.39Å; V235-A310 WeakPolarHBondContact CA-O 3.45Å; L236-A310 PolarHBondContact N-O 3.25Å; A310-E339 CarbonylContact C-O 3.59Å; A310-E339 VanDerWaalsContact CA-O 3.28Å; A310-E339 WeakPolarHBondContact CA-O 3.33Å; A310-E339 WeakPolarHBondContact CB-O 3.49Å; A310-L388 HydrophobicContact CB-CD1 3.66Å |
| 311 | A | 88 | Confident | 90.9 | Very high | 6 Ų | 6 | 53.1 Ų | 53.1 | 5% | 0.05 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 137.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E339 N386 | A311-E339 HydrophobicContact CB-CB 4.18Å; A311-E339 PolarHBondContact N-O 3.44Å; A311-E339 PolarHBondContact O-N 3.42Å; A311-N386 PolarHBondContact O-ND2 2.92Å |
| 312 | P | 85.5 | Confident | 90.7 | Very high | 62 Ų | 62 | 52.5 Ų | 52.5 | 40% | 0.403 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 161.8 | 176.3 | 29.6 | -36.1 | 0 | 0 | 0 | 111.7 | L388 | P312-L388 HydrophobicContact CB-CB 4.28Å |
| 313 | P | 88.8 | Confident | 90.3 | Very high | 5 Ų | 5 | 49.3 Ų | 49.3 | 3% | 0.032 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 141.9 | 178.7 | 29.2 | -35.5 | 0 | 0 | 0 | 112 | S337 P342 A384 N386 G389 A391 | P313-S337 CarbonylContact C-O 3.5Å; P313-S337 VanDerWaalsContact CA-O 3.3Å; P313-S337 WeakPolarHBondContact CA-O 3.38Å; P313-P342 HydrophobicContact CB-CB 3.84Å; P313-P342 HydrophobicContact CB-CG 4Å; P313-A384 HydrophobicContact CB-CB 4.03Å; P313-A384 WeakPolarHBondContact CG-O 3.35Å; P313-N386 WeakPolarHBondContact CD-OD1 3.31Å; P313-G389 WeakPolarHBondContact CD-O 3.47Å; P313-G389 VanDerWaalsContact CG-O 3.22Å; P313-G389 WeakPolarHBondContact CG-O 3.44Å; P313-A391 HydrophobicContact CB-CB 4.32Å; P313-A391 HydrophobicContact CG-CB 4.32Å |
| 314 | V | 87.7 | Confident | 89.8 | Confident | 72 Ų | 72 | 50.6 Ų | 50.6 | 44% | 0.436 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 126.8 | 171.2 | -178.8 | 0 | 0 | 0 | 0 | 108 | V316 S336 S337 | V314-V316 PolarHBondContact O-N 3.5Å; V314-S336 CarbonylContact O-C 3.48Å; V314-S336 VanDerWaalsContact O-CA 3.31Å; V314-S336 WeakPolarHBondContact O-CA 3.13Å; V314-S337 PolarHBondContact N-O 2.98Å; V314-S337 PolarHBondContact O-N 2.83Å |
| 315 | I | 87.8 | Confident | 89.1 | Confident | 32 Ų | 32 | 49.3 Ų | 49.3 | 16% | 0.164 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 119.1 | 171.1 | -68.2 | 176.9 | 0 | 0 | 0 | 108.2 | H317 N335 A384 A391 A393 | I315-H317 WeakPolarHBondContact CG2-O 3.43Å; I315-N335 CarbonylContact C-O 3.43Å; I315-A384 HydrophobicContact CG1-CB 4.16Å; I315-A391 HydrophobicContact CG1-CB 4.22Å; I315-A393 HydrophobicContact CD1-CB 3.71Å; I315-A393 HydrophobicContact CG2-CB 4.06Å |
| 316 | V | 88.2 | Confident | 88.5 | Confident | 85 Ų | 85 | 57 Ų | 57 | 52% | 0.515 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | -35 | -178 | -171.5 | 0 | 0 | 0 | 0 | 110.7 | V314 N335 | V314-V316 PolarHBondContact O-N 3.5Å; V316-N335 PolarHBondContact N-O 2.88Å |
| 317 | H | 86.3 | Confident | 87.7 | Confident | 103 Ų | 103 | 55.7 Ų | 55.7 | 48% | 0.477 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 115.7 | 174.1 | -58.5 | 71.8 | 0 | 0 | 0 | 108.9 | I315 C334 N335 | I315-H317 WeakPolarHBondContact CG2-O 3.43Å; H317-C334 WeakPolarHBondContact O-CA 3.43Å; H317-N335 HydrophobicContact CB-CB 4.01Å; H317-N335 PolarHBondContact N-O 3.06Å; H317-N335 VanDerWaalsContact N-O 3.16Å; H317-N335 PolarHBondContact O-N 3.31Å; H317-N335 VanDerWaalsContact O-N 3.1Å |
| 318 | S | 89 | Confident | 87.4 | Confident | 81 Ų | 81 | 59.4 Ų | 59.4 | 57% | 0.566 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -79.1 | 148.8 | 173.3 | 49.7 | 0 | 0 | 0 | 0 | 111.3 | ||
| 319 | P | 91.1 | Very high | 87.3 | Confident | 7 Ų | 7 | 58.9 Ų | 58.9 | 5% | 0.045 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 141.4 | 174.4 | 28.9 | -32.8 | 0 | 0 | 0 | 112.2 | F332 L333 W346 A395 | P319-F332 HydrophobicContact CB-CB 4.04Å; P319-F332 HydrophobicContact CB-CD1 4.22Å; P319-L333 WeakPolarHBondContact CA-O 3.3Å; P319-L333 WeakPolarHBondContact CB-O 3.18Å; P319-W346 HydrophobicContact CB-CH2 3.78Å; P319-W346 HydrophobicContact CB-CZ3 4.29Å; P319-W346 HydrophobicContact CG-CH2 3.88Å; P319-W346 HydrophobicContact CG-CZ3 4.09Å; P319-A395 HydrophobicContact CB-CB 3.89Å; P319-A395 HydrophobicContact CG-CB 3.97Å |
| 320 | E | 90.5 | Very high | 87.3 | Confident | 158 Ų | 158 | 58.4 Ų | 58.4 | 74% | 0.738 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -83.7 | 146.6 | 178.5 | -64 | -179.9 | 177.3 | 0 | 0 | 111.9 | F332 A395 | E320-F332 WeakPolarHBondContact O-CD1 3.42Å; E320-F332 VanDerWaalsContact O-CE1 3.27Å; E320-F332 WeakPolarHBondContact O-CE1 3.49Å; E320-A395 WeakPolarHBondContact O-CB 3.34Å |
| 321 | S | 90.1 | Very high | 87.4 | Confident | 77 Ų | 77 | 64.9 Ų | 64.9 | 54% | 0.538 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -79.6 | 134.6 | 172.8 | -62.8 | 0 | 0 | 0 | 0 | 110.7 | R396 | S321-R396 CarbonylContact C-O 3.6Å; S321-R396 VanDerWaalsContact CA-O 3.25Å; S321-R396 WeakPolarHBondContact CA-O 3.42Å; S321-R396 WeakPolarHBondContact CB-O 3.2Å; S321-R396 PolarHBondContact OG-N 3.46Å |
| 322 | V | 88.9 | Confident | 87.7 | Confident | 35 Ų | 35 | 64.7 Ų | 64.7 | 21% | 0.212 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 144.1 | -173.6 | -58.3 | 0 | 0 | 0 | 0 | 112.8 | L324 F332 R396 L397 T398 | V322-L324 HydrophobicContact CB-CD1 4.35Å; V322-L324 HydrophobicContact CB-CG 4.31Å; V322-L324 HydrophobicContact CG2-CD1 3.86Å; V322-L324 HydrophobicContact CG2-CG 4.2Å; V322-F332 HydrophobicContact CG2-CE1 3.89Å; V322-F332 HydrophobicContact CG2-CZ 3.84Å; V322-R396 PolarHBondContact N-O 3.13Å; V322-L397 HydrophobicContact CG2-CD1 3.74Å; V322-L397 WeakPolarHBondContact O-CA 3.42Å; V322-T398 PolarHBondContact O-N 3.45Å |
| 323 | S | 86.6 | Confident | 88 | Confident | 74 Ų | 74 | 65.1 Ų | 65.1 | 52% | 0.517 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 110.6 | 174.7 | -62.3 | 0 | 0 | 0 | 0 | 109 | T398 | S323-T398 CarbonylContact C-O 3.52Å; S323-T398 WeakPolarHBondContact CA-O 3.38Å |
| 324 | L | 85.1 | Confident | 88.2 | Confident | 46 Ų | 46 | 64.9 Ų | 64.9 | 24% | 0.241 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 148.3 | -168.9 | -67.1 | 173.9 | 0 | 0 | 0 | 111.5 | V322 N328 A330 L372 T398 V399 I400 | V322-L324 HydrophobicContact CB-CD1 4.35Å; V322-L324 HydrophobicContact CB-CG 4.31Å; V322-L324 HydrophobicContact CG2-CD1 3.86Å; V322-L324 HydrophobicContact CG2-CG 4.2Å; L324-N328 HydrophobicContact CB-CB 4.42Å; L324-A330 HydrophobicContact CD1-CB 3.86Å; L324-L372 HydrophobicContact CB-CD1 3.55Å; L324-L372 HydrophobicContact CD1-CD1 3.95Å; L324-L372 HydrophobicContact CG-CD1 4.41Å; L324-T398 PolarHBondContact N-O 3.23Å; L324-V399 CarbonylContact O-C 3.55Å; L324-V399 WeakPolarHBondContact O-CA 3.36Å; L324-I400 PolarHBondContact O-N 3.43Å |
| 325 | S | 80.1 | Confident | 88.4 | Confident | 22 Ų | 22 | 64.2 Ų | 64.2 | 15% | 0.154 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 150.1 | 179.5 | -59.5 | 0 | 0 | 0 | 0 | 113.1 | G327 N328 I400 | S325-G327 PolarHBondContact O-N 2.86Å; S325-N328 VanDerWaalsContact O-CB 3.3Å; S325-N328 WeakPolarHBondContact O-CB 3.47Å; S325-N328 PolarHBondContact O-N 3.24Å; S325-I400 CarbonylContact C-O 3.49Å; S325-I400 WeakPolarHBondContact CA-O 3.4Å |
| 326 | R | 81.8 | Confident | 88.5 | Confident | 163 Ų | 163 | 63.2 Ų | 63.2 | 62% | 0.615 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | 129.8 | 172.2 | -167.1 | -175.3 | 73.6 | 169.3 | -0.1 | 110.2 | L372 V399 I400 | R326-L372 CarbonylContact C-O 3.54Å; R326-L372 WeakPolarHBondContact CA-O 3.4Å; R326-L372 WeakPolarHBondContact CG-O 3.33Å; R326-V399 HydrophobicContact CB-CG1 4.23Å; R326-I400 PolarHBondContact N-O 3.39Å |
| 327 | G | 78.8 | Confident | 88.6 | Confident | 46 Ų | 46 | 60.9 Ų | 60.9 | 47% | 0.474 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.9 | -17.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | S325 Q371 L372 | S325-G327 PolarHBondContact O-N 2.86Å; G327-Q371 WeakPolarHBondContact O-CA 3.42Å; G327-L372 PolarHBondContact N-O 2.85Å |
| 328 | N | 86.5 | Confident | 88.7 | Confident | 78 Ų | 78 | 56.2 Ų | 56.2 | 42% | 0.417 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -69.1 | 175.5 | 174.2 | -70.7 | 6.4 | 0 | 0 | 0 | 111.8 | L324 S325 Q371 L372 | L324-N328 HydrophobicContact CB-CB 4.42Å; S325-N328 VanDerWaalsContact O-CB 3.3Å; S325-N328 WeakPolarHBondContact O-CB 3.47Å; S325-N328 PolarHBondContact O-N 3.24Å; N328-Q371 PolarHBondContact O-N 2.86Å; N328-Q371 VanDerWaalsContact O-N 3.16Å; N328-L372 HydrophobicContact CB-CD1 4.24Å; N328-L372 VanDerWaalsContact O-CG 3.3Å; N328-L372 WeakPolarHBondContact O-CG 3.29Å; N328-L372 PolarHBondContact O-N 2.81Å |
| 329 | T | 90.3 | Very high | 88.7 | Confident | 67 Ų | 67 | 57.2 Ų | 57.2 | 41% | 0.411 | 31% | 0.308 | S | S | . | . | trans | -106.4 | 126.7 | 169.1 | -67.4 | 0 | 0 | 0 | 0 | 110.4 | L368 I369 N370 | T329-L368 HydrophobicContact CG2-CD2 4.48Å; T329-I369 CarbonylContact C-O 3.59Å; T329-I369 VanDerWaalsContact CA-O 3.23Å; T329-I369 WeakPolarHBondContact CA-O 2.95Å; T329-N370 WeakPolarHBondContact CG2-OD1 3.37Å; T329-N370 WeakPolarHBondContact OG1-CA 3Å; T329-N370 PolarHBondContact OG1-OD1 3.12Å | ||
| 330 | A | 91.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 144.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | L324 F332 L368 I369 L372 L397 | L324-A330 HydrophobicContact CD1-CB 3.86Å; A330-F332 HydrophobicContact CB-CE2 4.07Å; A330-F332 HydrophobicContact CB-CZ 4.47Å; A330-L368 WeakPolarHBondContact O-CA 3.37Å; A330-I369 HydrophobicContact CB-CB 4.28Å; A330-I369 PolarHBondContact N-O 3.44Å; A330-I369 PolarHBondContact O-N 2.81Å; A330-L372 HydrophobicContact CB-CD1 4.2Å; A330-L372 HydrophobicContact CB-CD2 4.08Å; A330-L372 HydrophobicContact CB-CG 4.5Å; A330-L397 HydrophobicContact CB-CD1 4.18Å; A330-L397 HydrophobicContact CB-CD2 4.3Å |
| 331 | R | 93.6 | Very high | 88.6 | Confident | 143 Ų | 143 | 59 Ų | 59 | 54% | 0.54 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 118.7 | 173.5 | 177.2 | 176.4 | 175.5 | 102.5 | 1.5 | 109 | V366 L367 L368 | R331-V366 HydrophobicContact CG-CG1 4.28Å; R331-L367 WeakPolarHBondContact CA-O 3.31Å; R331-L368 HydrophobicContact CB-CD2 3.63Å; R331-L368 HydrophobicContact CG-CD2 3.63Å |
| 332 | F | 93.8 | Very high | 88.6 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.009 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 133.9 | 169.7 | -57.6 | -79 | 0 | 0 | 0 | 109.3 | P319 E320 V322 A330 W346 V366 L367 I369 Y380 A395 L397 | P319-F332 HydrophobicContact CB-CB 4.04Å; P319-F332 HydrophobicContact CB-CD1 4.22Å; E320-F332 WeakPolarHBondContact O-CD1 3.42Å; E320-F332 VanDerWaalsContact O-CE1 3.27Å; E320-F332 WeakPolarHBondContact O-CE1 3.49Å; V322-F332 HydrophobicContact CG2-CE1 3.89Å; V322-F332 HydrophobicContact CG2-CZ 3.84Å; A330-F332 HydrophobicContact CB-CE2 4.07Å; A330-F332 HydrophobicContact CB-CZ 4.47Å; F332-W346 HydrophobicContact CB-CH2 3.45Å; F332-W346 VanDerWaalsContact CB-CH2 3.45Å; F332-W346 HydrophobicContact CB-CZ2 4.09Å; F332-W346 HydrophobicContact CB-CZ3 3.97Å; F332-W346 HydrophobicContact CG-CH2 4.44Å; F332-V366 WeakPolarHBondContact O-CA 3.37Å; F332-L367 HydrophobicContact CB-CB 4.35Å; F332-L367 HydrophobicContact CD2-CD2 4.05Å; F332-L367 HydrophobicContact CD2-CG 4.36Å; F332-L367 PolarHBondContact N-O 2.03Å; F332-L367 PolarHBondContact O-N 2.92Å; F332-I369 HydrophobicContact CE2-CD1 4.12Å; F332-Y380 HydrophobicContact CE2-CD1 4.49Å; F332-Y380 HydrophobicContact CE2-CD2 4.2Å; F332-Y380 HydrophobicContact CE2-CG 4.15Å; F332-Y380 HydrophobicContact CZ-CD2 4.28Å; F332-A395 HydrophobicContact CD1-CB 3.79Å; F332-A395 HydrophobicContact CE1-CB 3.77Å; F332-L397 HydrophobicContact CE2-CD2 4.3Å; F332-L397 HydrophobicContact CZ-CB 3.99Å; F332-L397 HydrophobicContact CZ-CD1 4.33Å; F332-L397 HydrophobicContact CZ-CD2 4.33Å; F332-L397 HydrophobicContact CZ-CG 4.45Å |
| 333 | L | 92.3 | Very high | 88.6 | Confident | 72 Ų | 72 | 58.7 Ų | 58.7 | 38% | 0.377 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 134.2 | 176.1 | 175.3 | 64.7 | 0 | 0 | 0 | 108.7 | P319 V366 | P319-L333 WeakPolarHBondContact CA-O 3.3Å; P319-L333 WeakPolarHBondContact CB-O 3.18Å; L333-V366 HydrophobicContact CD1-CG2 3.66Å |
| 334 | C | 92.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -138.6 | 118.8 | 174.7 | 177.5 | 0 | 0 | 0 | 0 | 108.8 | H317 W346 G365 C382 | H317-C334 WeakPolarHBondContact O-CA 3.43Å; C334-W346 HydrophobicContact CB-CH2 3.99Å; C334-W346 HydrophobicContact CB-CZ2 3.63Å; C334-G365 PolarHBondContact N-O 3.46Å; C334-G365 WeakPolarHBondContact O-CA 3.24Å; C334-C382 HydrophobicContact CB-CB 3.56Å; C334-C382 WeakPolarHBondContact CB-SG 3.34Å; C334-C382 WeakPolarHBondContact SG-CB 3.43Å; C334-C382 CovalentContact SG-SG 2.03Å; C334-C382 PolarHBondContact SG-SG 3.01Å | ||
| 335 | N | 91.3 | Very high | 89 | Confident | 57 Ų | 57 | 57.5 Ų | 57.5 | 31% | 0.305 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 135.8 | 176.7 | -73.3 | -17 | 0 | 0 | 0 | 110.1 | I315 V316 H317 | I315-N335 CarbonylContact C-O 3.43Å; V316-N335 PolarHBondContact N-O 2.88Å; H317-N335 HydrophobicContact CB-CB 4.01Å; H317-N335 PolarHBondContact N-O 3.06Å; H317-N335 VanDerWaalsContact N-O 3.16Å; H317-N335 PolarHBondContact O-N 3.31Å; H317-N335 VanDerWaalsContact O-N 3.1Å |
| 336 | S | 91.1 | Very high | 89.5 | Confident | 12 Ų | 12 | 56.9 Ų | 56.9 | 8% | 0.084 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 160.1 | 179.6 | 53.1 | 0 | 0 | 0 | 0 | 112.3 | V314 F341 L344 | V314-S336 CarbonylContact O-C 3.48Å; V314-S336 VanDerWaalsContact O-CA 3.31Å; V314-S336 WeakPolarHBondContact O-CA 3.13Å; S336-F341 WeakPolarHBondContact O-CE2 3.12Å; S336-L344 WeakPolarHBondContact OG-CD2 3.17Å |
| 337 | S | 90.2 | Very high | 89.9 | Confident | 35 Ų | 35 | 49.8 Ų | 49.8 | 25% | 0.245 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 158.6 | 167.9 | 71.3 | 0 | 0 | 0 | 0 | 109.7 | P313 V314 | P313-S337 CarbonylContact C-O 3.5Å; P313-S337 VanDerWaalsContact CA-O 3.3Å; P313-S337 WeakPolarHBondContact CA-O 3.38Å; V314-S337 PolarHBondContact N-O 2.98Å; V314-S337 PolarHBondContact O-N 2.83Å |
| 338 | G | 88.1 | Confident | 90.5 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 6% | 0.062 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.7 | 164.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | P340 | G338-P340 CarbonylContact C-O 3.56Å; G338-P340 VanDerWaalsContact C-O 3.28Å; G338-P340 CarbonylContact O-C 3.58Å |
| 339 | E | 88.5 | Confident | 90.4 | Very high | 102 Ų | 102 | 48.3 Ų | 48.3 | 48% | 0.477 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 109.3 | 178.3 | -169.7 | 60.4 | -115.8 | 0 | 0 | 109.4 | A310 A311 | A310-E339 CarbonylContact C-O 3.59Å; A310-E339 VanDerWaalsContact CA-O 3.28Å; A310-E339 WeakPolarHBondContact CA-O 3.33Å; A310-E339 WeakPolarHBondContact CB-O 3.49Å; A311-E339 HydrophobicContact CB-CB 4.18Å; A311-E339 PolarHBondContact N-O 3.44Å; A311-E339 PolarHBondContact O-N 3.42Å |
| 340 | P | 89.9 | Confident | 89.9 | Confident | 82 Ų | 82 | 45.7 Ų | 45.7 | 53% | 0.532 | 24% | 0.236 | S | C | . | . | S | Bend | cis | -60.2 | 156.6 | -1.4 | -23.5 | 35.2 | 0 | 0 | 0 | 114 | G338 N386 | G338-P340 CarbonylContact C-O 3.56Å; G338-P340 VanDerWaalsContact C-O 3.28Å; G338-P340 CarbonylContact O-C 3.58Å; P340-N386 PolarHBondContact O-ND2 3.39Å |
| 341 | F | 88.8 | Confident | 89.6 | Confident | 120 Ų | 120 | 52.3 Ų | 52.3 | 53% | 0.526 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 127.6 | 179.4 | -171.8 | -87.4 | 0 | 0 | 0 | 111 | S336 | S336-F341 WeakPolarHBondContact O-CE2 3.12Š|
| 342 | P | 90.2 | Very high | 89.2 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.019 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -77 | 147.8 | -170.2 | 29.9 | -35.5 | 0 | 0 | 0 | 113.6 | P313 A384 E385 N386 | P313-P342 HydrophobicContact CB-CB 3.84Å; P313-P342 HydrophobicContact CB-CG 4Å; P342-A384 HydrophobicContact CB-CB 4.17Å; P342-A384 HydrophobicContact CG-CB 4.23Å; P342-E385 CarbonylContact C-O 3.19Å; P342-E385 WeakPolarHBondContact CA-O 3.38Å; P342-E385 VanDerWaalsContact CB-O 3.3Å; P342-E385 WeakPolarHBondContact CB-O 3.29Å; P342-N386 HydrophobicContact CB-CB 4.24Å |
| 343 | V | 90.4 | Very high | 88.9 | Confident | 103 Ų | 103 | 51 Ų | 51 | 62% | 0.624 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 127.4 | 174.7 | -178.6 | 0 | 0 | 0 | 0 | 109 | A384 E385 | V343-A384 WeakPolarHBondContact O-CA 3.47Å; V343-E385 PolarHBondContact N-O 2.86Å; V343-E385 PolarHBondContact O-N 3.05Å |
| 344 | L | 90.3 | Very high | 88.1 | Confident | 29 Ų | 29 | 58.2 Ų | 58.2 | 15% | 0.152 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 127.3 | 178.5 | -70.9 | -179.4 | 0 | 0 | 0 | 111.8 | S336 P364 I383 A384 | S336-L344 WeakPolarHBondContact OG-CD2 3.17Å; L344-P364 HydrophobicContact CD1-CB 4.24Å; L344-I383 WeakPolarHBondContact CA-O 3.18Å; L344-A384 HydrophobicContact CD2-CB 3.52Å |
| 345 | H | 89 | Confident | 87.1 | Confident | 66 Ų | 66 | 61.9 Ų | 61.9 | 31% | 0.306 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 156.6 | 173.5 | 56.7 | -90.3 | 0 | 0 | 0 | 111.9 | I383 E385 | H345-I383 PolarHBondContact N-O 3.27Å; H345-I383 WeakPolarHBondContact NE2-CB 3.44Å; H345-I383 WeakPolarHBondContact NE2-CG2 3.41Å; H345-I383 PolarHBondContact O-N 3.3Å; H345-E385 IonicContact CE1-OE2 3.84Å; H345-E385 PolarHBondContact CE1-OE2 3.35Å |
| 346 | W | 91.4 | Very high | 85.9 | Confident | 8 Ų | 8 | 65.9 Ų | 65.9 | 3% | 0.03 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 135.8 | -175.4 | -73.8 | 90.6 | 0 | 0 | 0 | 112.1 | P319 F332 C334 I353 G365 L367 Q381 C382 | P319-W346 HydrophobicContact CB-CH2 3.78Å; P319-W346 HydrophobicContact CB-CZ3 4.29Å; P319-W346 HydrophobicContact CG-CH2 3.88Å; P319-W346 HydrophobicContact CG-CZ3 4.09Å; F332-W346 HydrophobicContact CB-CH2 3.45Å; F332-W346 VanDerWaalsContact CB-CH2 3.45Å; F332-W346 HydrophobicContact CB-CZ2 4.09Å; F332-W346 HydrophobicContact CB-CZ3 3.97Å; F332-W346 HydrophobicContact CG-CH2 4.44Å; C334-W346 HydrophobicContact CB-CH2 3.99Å; C334-W346 HydrophobicContact CB-CZ2 3.63Å; W346-I353 HydrophobicContact CB-CB 4.37Å; W346-I353 HydrophobicContact CB-CD1 3.81Å; W346-I353 HydrophobicContact CB-CG1 4.3Å; W346-I353 PolarHBondContact O-N 3.19Å; W346-G365 WeakPolarHBondContact CZ2-O 3.32Å; W346-L367 HydrophobicContact CD2-CB 3.84Å; W346-L367 HydrophobicContact CD2-CD2 3.99Å; W346-L367 HydrophobicContact CE3-CB 4.34Å; W346-L367 HydrophobicContact CE3-CD2 3.88Å; W346-L367 HydrophobicContact CG-CB 4.18Å; W346-L367 HydrophobicContact CG-CD2 4.3Å; W346-L367 HydrophobicContact CH2-CB 4.47Å; W346-L367 HydrophobicContact CZ2-CB 3.99Å; W346-L367 HydrophobicContact CZ3-CD2 4.43Å; W346-Q381 CarbonylContact C-O 3.53Å; W346-Q381 VanDerWaalsContact CA-O 3.31Å; W346-Q381 WeakPolarHBondContact CA-O 3.35Å; W346-C382 HydrophobicContact CD2-CB 4.21Å; W346-C382 HydrophobicContact CE3-CB 4.03Å; W346-C382 HydrophobicContact CH2-CB 3.81Å; W346-C382 HydrophobicContact CZ2-CB 4Å; W346-C382 HydrophobicContact CZ3-CB 3.83Å |
| 347 | L | 89.3 | Confident | 85.2 | Confident | 15 Ų | 15 | 75.2 Ų | 75.2 | 8% | 0.079 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 149.9 | 167.1 | -46.2 | -176.2 | 0 | 0 | 0 | 110.5 | Q351 P352 Y380 Q381 I383 | L347-Q351 CarbonylContact C-O 3.44Å; L347-Q351 VanDerWaalsContact CA-O 3.24Å; L347-Q351 WeakPolarHBondContact CA-O 3.27Å; L347-P352 HydrophobicContact CD2-CB 4.2Å; L347-P352 HydrophobicContact CD2-CG 4.01Å; L347-Y380 WeakPolarHBondContact O-CA 3.3Å; L347-Q381 HydrophobicContact CB-CB 4.22Å; L347-Q381 PolarHBondContact N-O 3.13Å; L347-Q381 PolarHBondContact O-N 3.3Å; L347-I383 HydrophobicContact CD1-CD1 3.64Å; L347-I383 HydrophobicContact CD2-CD1 4.45Å; L347-I383 HydrophobicContact CG-CD1 3.87Å |
| 348 | K | 90.9 | Very high | 85 | Confident | 44 Ų | 44 | 75.8 Ų | 75.8 | 19% | 0.191 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 123.9 | 165 | 177.4 | -170.7 | 179.7 | -171.4 | 0 | 107.8 | G350 Q351 I353 M359 E375 D376 Y379 Y380 | K348-G350 PolarHBondContact O-N 3.24Å; K348-Q351 PolarHBondContact N-O 3.3Å; K348-Q351 PolarHBondContact O-N 3.41Å; K348-I353 HydrophobicContact CB-CD1 3.87Å; K348-I353 HydrophobicContact CB-CG1 3.77Å; K348-M359 HydrophobicContact CD-CE 4.35Å; K348-E375 WeakPolarHBondContact CE-O 3.38Å; K348-E375 PolarHBondContact NZ-O 3.28Å; K348-D376 IonicContact NZ-OD1 3.53Å; K348-Y379 CarbonylContact C-O 3.58Å; K348-Y379 WeakPolarHBondContact CA-O 3.35Å; K348-Y380 HydrophobicContact CB-CD1 4.19Å; K348-Y380 HydrophobicContact CB-CE1 3.83Å; K348-Y380 HydrophobicContact CD-CE1 4.02Å; K348-Y380 VanDerWaalsContact CD-OH 3.32Å; K348-Y380 WeakPolarHBondContact CD-OH 3.19Å; K348-Y380 VanDerWaalsContact CE-OH 3.24Å; K348-Y380 WeakPolarHBondContact CE-OH 3.38Å; K348-Y380 HydrophobicContact CG-CD1 4.4Å; K348-Y380 HydrophobicContact CG-CE1 3.78Å; K348-Y380 HydrophobicContact CG-CE2 4.22Å |
| 349 | N | 85.3 | Confident | 85 | Confident | 48 Ų | 48 | 76.8 Ų | 76.8 | 26% | 0.257 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 45.9 | -177.6 | -63.6 | -23.7 | 0 | 0 | 0 | 112.6 | G110 A111 Q351 G378 Y379 | G110-N349 WeakPolarHBondContact CA-OD1 3.23Å; A111-N349 CarbonylContact O-C 3.57Å; A111-N349 VanDerWaalsContact O-C 3.25Å; A111-N349 WeakPolarHBondContact O-CA 3.45Å; N349-Q351 VanDerWaalsContact C-N 3.26Å; N349-Q351 PolarHBondContact O-N 2.58Å; N349-G378 WeakPolarHBondContact OD1-CA 3.37Å; N349-Y379 PolarHBondContact N-O 3.36Å; N349-Y379 PolarHBondContact OD1-N 3.16Å |
| 350 | G | 78.8 | Confident | 84.9 | Confident | 13 Ų | 13 | 77.5 Ų | 77.5 | 13% | 0.134 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | -1.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | A111 T113 K348 | A111-G350 PolarHBondContact O-N 3.46Å; T113-G350 WeakPolarHBondContact OG1-CA 3.32Å; K348-G350 PolarHBondContact O-N 3.24Å |
| 351 | Q | 84.6 | Confident | 84.7 | Confident | 138 Ų | 138 | 76 Ų | 76 | 65% | 0.645 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 138.1 | -177.8 | -67.5 | -62.8 | -41 | 0 | 0 | 112.7 | L347 K348 N349 I353 | L347-Q351 CarbonylContact C-O 3.44Å; L347-Q351 VanDerWaalsContact CA-O 3.24Å; L347-Q351 WeakPolarHBondContact CA-O 3.27Å; K348-Q351 PolarHBondContact N-O 3.3Å; K348-Q351 PolarHBondContact O-N 3.41Å; N349-Q351 VanDerWaalsContact C-N 3.26Å; N349-Q351 PolarHBondContact O-N 2.58Å; Q351-I353 PolarHBondContact O-N 3.06Å |
| 352 | P | 87.1 | Confident | 84.4 | Confident | 91 Ų | 91 | 74.4 Ų | 74.4 | 59% | 0.591 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 127.3 | 180 | -25.1 | 34.3 | 0 | 0 | 0 | 113.9 | L347 R354 | L347-P352 HydrophobicContact CD2-CB 4.2Å; L347-P352 HydrophobicContact CD2-CG 4.01Å; P352-R354 PolarHBondContact O-N 3.44Å |
| 353 | I | 87.2 | Confident | 83.6 | Confident | 28 Ų | 28 | 80.1 Ų | 80.1 | 14% | 0.144 | 40% | 0.396 | C | S | . | . | trans | -77.1 | 111 | 176.3 | -57 | 179.9 | 0 | 0 | 0 | 109.2 | W346 K348 Q351 M359 L367 Y380 | W346-I353 HydrophobicContact CB-CB 4.37Å; W346-I353 HydrophobicContact CB-CD1 3.81Å; W346-I353 HydrophobicContact CB-CG1 4.3Å; W346-I353 PolarHBondContact O-N 3.19Å; K348-I353 HydrophobicContact CB-CD1 3.87Å; K348-I353 HydrophobicContact CB-CG1 3.77Å; Q351-I353 PolarHBondContact O-N 3.06Å; I353-M359 HydrophobicContact CD1-CE 3.81Å; I353-M359 HydrophobicContact CG1-CE 4.28Å; I353-M359 HydrophobicContact CG2-CB 4.46Å; I353-M359 HydrophobicContact CG2-CE 3.74Å; I353-M359 HydrophobicContact CG2-SD 4.31Å; I353-L367 HydrophobicContact CD1-CD1 4.25Å; I353-L367 HydrophobicContact CD1-CD2 3.59Å; I353-L367 HydrophobicContact CG2-CD1 4.43Å; I353-Y380 HydrophobicContact CD1-CD1 3.76Å; I353-Y380 HydrophobicContact CD1-CE1 3.78Å | ||
| 354 | R | 75.4 | Confident | 82.6 | Confident | 222 Ų | 222 | 78.9 Ų | 78.9 | 84% | 0.838 | 39% | 0.391 | S | S | * | . | trans | -82.7 | 126.9 | 165.4 | -63.5 | -180 | -179.2 | 158.7 | 1.6 | 109 | P352 F356 | P352-R354 PolarHBondContact O-N 3.44Å; R354-F356 PolarHBondContact O-N 3.15Å | ||
| 355 | S | 71.4 | Confident | 82.3 | Confident | 78 Ų | 78 | 77.7 Ų | 77.7 | 55% | 0.545 | 39% | 0.385 | S | S | . | . | trans | -57.5 | 108.5 | 174.6 | -71.3 | 0 | 0 | 0 | 0 | 110.8 | V361 | S355-V361 PolarHBondContact OG-N 2.88Š| ||
| 356 | F | 67.1 | Low | 82.4 | Confident | 140 Ų | 140 | 75.2 Ų | 75.2 | 61% | 0.614 | 38% | 0.375 | S | S | * | . | B | Isolated β-bridge | trans | -154.5 | 136.5 | -174 | -172.8 | -116.1 | 0 | 0 | 0 | 111.8 | R354 R358 M359 | R354-F356 PolarHBondContact O-N 3.15Å; F356-R358 PolarHBondContact O-N 3.48Å; F356-M359 PolarHBondContact N-O 3.05Å; F356-M359 VanDerWaalsContact N-O 3.15Å; F356-M359 PolarHBondContact O-N 3.29Å |
| 357 | R | 76.3 | Confident | 82.4 | Confident | 208 Ų | 208 | 74.8 Ų | 74.8 | 79% | 0.785 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.9 | -100.8 | 179.1 | -65.1 | 177.2 | 179 | -163.3 | 0.5 | 113.4 | ||
| 358 | R | 85.4 | Confident | 82.6 | Confident | 47 Ų | 47 | 75.3 Ų | 75.3 | 18% | 0.177 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -26.1 | -172 | -67.4 | -171.3 | -56.5 | 93.8 | -1 | 112.6 | F356 N370 Q371 E375 D376 | F356-R358 PolarHBondContact O-N 3.48Å; R358-N370 WeakPolarHBondContact CB-O 3.45Å; R358-N370 WeakPolarHBondContact CD-O 3.35Å; R358-N370 PolarHBondContact NH1-O 3.43Å; R358-N370 VanDerWaalsContact NH1-O 3.12Å; R358-N370 PolarHBondContact O-N 3.05Å; R358-N370 PolarHBondContact O-ND2 3.39Å; R358-Q371 PolarHBondContact NH1-O 3.23Å; R358-Q371 VanDerWaalsContact NH1-O 3.09Å; R358-E375 IonicContact CZ-OE1 3.64Å; R358-E375 IonicContact NH2-OE1 3.74Å; R358-E375 PolarHBondContact NH2-OE1 3.46Å; R358-D376 IonicContact CZ-OD1 2.76Å; R358-D376 IonicContact CZ-OD2 2.79Å; R358-D376 VanDerWaalsContact CZ-OD2 3.3Å; R358-D376 IonicContact NH1-OD1 2.88Å; R358-D376 IonicContact NH1-OD2 3.8Å; R358-D376 PolarHBondContact NH1-OD2 3.25Å; R358-D376 VanDerWaalsContact NH2-CG 3.34Å; R358-D376 IonicContact NH2-OD1 3.83Å; R358-D376 PolarHBondContact NH2-OD1 3.46Å; R358-D376 IonicContact NH2-OD2 3.75Å; R358-D376 PolarHBondContact NH2-OD2 3.45Å; R358-D376 VanDerWaalsContact NH2-OD2 3.08Å |
| 359 | M | 88.1 | Confident | 82.7 | Confident | 28 Ų | 28 | 73.2 Ų | 73.2 | 14% | 0.138 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 123.3 | -176.7 | -57.5 | -179.2 | 81.1 | 0 | 0 | 110.6 | K348 I353 F356 L368 I369 Y380 | K348-M359 HydrophobicContact CD-CE 4.35Å; I353-M359 HydrophobicContact CD1-CE 3.81Å; I353-M359 HydrophobicContact CG1-CE 4.28Å; I353-M359 HydrophobicContact CG2-CB 4.46Å; I353-M359 HydrophobicContact CG2-CE 3.74Å; I353-M359 HydrophobicContact CG2-SD 4.31Å; F356-M359 PolarHBondContact N-O 3.05Å; F356-M359 VanDerWaalsContact N-O 3.15Å; F356-M359 PolarHBondContact O-N 3.29Å; M359-L368 CarbonylContact C-O 3.57Å; M359-L368 WeakPolarHBondContact CA-O 3.36Å; M359-I369 HydrophobicContact CE-CD1 3.97Å; M359-I369 HydrophobicContact CE-CG1 4.12Å; M359-I369 HydrophobicContact CG-CG1 4.29Å; M359-I369 HydrophobicContact CG-CG2 4.12Å; M359-Y380 HydrophobicContact CE-CE1 3.8Å |
| 360 | K | 85.8 | Confident | 82.9 | Confident | 117 Ų | 117 | 73.5 Ų | 73.5 | 51% | 0.509 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 117.9 | 177.6 | -65.6 | -171.4 | 177.6 | -174.7 | 0 | 110.2 | L368 | K360-L368 HydrophobicContact CB-CB 4.5Å; K360-L368 PolarHBondContact N-O 2.93Å; K360-L368 PolarHBondContact O-N 3.04Å |
| 361 | V | 86.4 | Confident | 83.2 | Confident | 50 Ų | 50 | 79.4 Ų | 79.4 | 30% | 0.303 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 124.4 | 164.8 | -176.9 | 0 | 0 | 0 | 0 | 108.1 | S355 V366 L367 | S355-V361 PolarHBondContact OG-N 2.88Å; V361-V366 CarbonylContact C-O 3.59Å; V361-V366 WeakPolarHBondContact CA-O 3.45Å; V361-L367 HydrophobicContact CG2-CD1 4.03Å |
| 362 | Q | 82.6 | Confident | 83.3 | Confident | 87 Ų | 87 | 72.9 Ų | 72.9 | 41% | 0.407 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 142.7 | 175.2 | -64.8 | 179.6 | -21 | 0 | 0 | 109.7 | P364 G365 V366 | Q362-P364 CarbonylContact O-C 3.58Å; Q362-G365 PolarHBondContact O-N 3.15Å; Q362-V366 HydrophobicContact CB-CB 4.18Å; Q362-V366 PolarHBondContact N-O 3.02Å; Q362-V366 PolarHBondContact O-N 3.26Å; Q362-V366 VanDerWaalsContact O-N 3.09Å |
| 363 | S | 73.9 | Confident | 83.2 | Confident | 122 Ų | 122 | 69.9 Ų | 69.9 | 85% | 0.853 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | 137.3 | -177.6 | 53.5 | 0 | 0 | 0 | 0 | 112.8 | ||
| 364 | P | 68.7 | Low | 82.9 | Confident | 78 Ų | 78 | 73.4 Ų | 73.4 | 51% | 0.506 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -87.1 | 132.7 | -17.7 | 33.5 | -28.5 | 0 | 0 | 0 | 110.9 | L344 Q362 V366 | L344-P364 HydrophobicContact CD1-CB 4.24Å; Q362-P364 CarbonylContact O-C 3.58Å; P364-V366 PolarHBondContact O-N 2.69Å |
| 365 | G | 83.4 | Confident | 83.3 | Confident | 4 Ų | 4 | 69.5 Ų | 69.5 | 4% | 0.041 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 14.2 | 157.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | C334 W346 Q362 | C334-G365 PolarHBondContact N-O 3.46Å; C334-G365 WeakPolarHBondContact O-CA 3.24Å; W346-G365 WeakPolarHBondContact CZ2-O 3.32Å; Q362-G365 PolarHBondContact O-N 3.15Å |
| 366 | V | 90.9 | Very high | 84.2 | Confident | 13 Ų | 13 | 65.9 Ų | 65.9 | 8% | 0.079 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 127.1 | 174.9 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | R331 F332 L333 V361 Q362 P364 L368 | R331-V366 HydrophobicContact CG-CG1 4.28Å; F332-V366 WeakPolarHBondContact O-CA 3.37Å; L333-V366 HydrophobicContact CD1-CG2 3.66Å; V361-V366 CarbonylContact C-O 3.59Å; V361-V366 WeakPolarHBondContact CA-O 3.45Å; Q362-V366 HydrophobicContact CB-CB 4.18Å; Q362-V366 PolarHBondContact N-O 3.02Å; Q362-V366 PolarHBondContact O-N 3.26Å; Q362-V366 VanDerWaalsContact O-N 3.09Å; P364-V366 PolarHBondContact O-N 2.69Å; V366-L368 HydrophobicContact CG1-CD2 4.37Å; V366-L368 HydrophobicContact CG1-CG 4.17Å |
| 367 | L | 92.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 120.6 | 170.2 | 172.7 | 64.9 | 0 | 0 | 0 | 109.8 | R331 F332 W346 I353 V361 I369 Y380 | R331-L367 WeakPolarHBondContact CA-O 3.31Å; F332-L367 HydrophobicContact CB-CB 4.35Å; F332-L367 HydrophobicContact CD2-CD2 4.05Å; F332-L367 HydrophobicContact CD2-CG 4.36Å; F332-L367 PolarHBondContact N-O 2.03Å; F332-L367 PolarHBondContact O-N 2.92Å; W346-L367 HydrophobicContact CD2-CB 3.84Å; W346-L367 HydrophobicContact CD2-CD2 3.99Å; W346-L367 HydrophobicContact CE3-CB 4.34Å; W346-L367 HydrophobicContact CE3-CD2 3.88Å; W346-L367 HydrophobicContact CG-CB 4.18Å; W346-L367 HydrophobicContact CG-CD2 4.3Å; W346-L367 HydrophobicContact CH2-CB 4.47Å; W346-L367 HydrophobicContact CZ2-CB 3.99Å; W346-L367 HydrophobicContact CZ3-CD2 4.43Å; I353-L367 HydrophobicContact CD1-CD1 4.25Å; I353-L367 HydrophobicContact CD1-CD2 3.59Å; I353-L367 HydrophobicContact CG2-CD1 4.43Å; V361-L367 HydrophobicContact CG2-CD1 4.03Å; L367-I369 HydrophobicContact CD1-CG1 4.39Å; L367-I369 HydrophobicContact CD2-CD1 4.38Å; L367-I369 HydrophobicContact CG-CG1 4.23Å; L367-Y380 HydrophobicContact CD2-CD1 3.42Å; L367-Y380 VanDerWaalsContact CD2-CD1 3.42Å; L367-Y380 HydrophobicContact CD2-CE1 3.81Å; L367-Y380 HydrophobicContact CD2-CG 4.41Å |
| 368 | L | 92.4 | Very high | 85.7 | Confident | 26 Ų | 26 | 51 Ų | 51 | 14% | 0.136 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 134.8 | 171.6 | -66 | 174.6 | 0 | 0 | 0 | 110.4 | T329 A330 R331 M359 K360 V366 | T329-L368 HydrophobicContact CG2-CD2 4.48Å; A330-L368 WeakPolarHBondContact O-CA 3.37Å; R331-L368 HydrophobicContact CB-CD2 3.63Å; R331-L368 HydrophobicContact CG-CD2 3.63Å; M359-L368 CarbonylContact C-O 3.57Å; M359-L368 WeakPolarHBondContact CA-O 3.36Å; K360-L368 HydrophobicContact CB-CB 4.5Å; K360-L368 PolarHBondContact N-O 2.93Å; K360-L368 PolarHBondContact O-N 3.04Å; V366-L368 HydrophobicContact CG1-CD2 4.37Å; V366-L368 HydrophobicContact CG1-CG 4.17Å |
| 369 | I | 93.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 101.6 | 174.3 | -50 | 173.5 | 0 | 0 | 0 | 107.5 | T329 A330 F332 M359 L367 L372 D376 Y380 L397 | T329-I369 CarbonylContact C-O 3.59Å; T329-I369 VanDerWaalsContact CA-O 3.23Å; T329-I369 WeakPolarHBondContact CA-O 2.95Å; A330-I369 HydrophobicContact CB-CB 4.28Å; A330-I369 PolarHBondContact N-O 3.44Å; A330-I369 PolarHBondContact O-N 2.81Å; F332-I369 HydrophobicContact CE2-CD1 4.12Å; M359-I369 HydrophobicContact CE-CD1 3.97Å; M359-I369 HydrophobicContact CE-CG1 4.12Å; M359-I369 HydrophobicContact CG-CG1 4.29Å; M359-I369 HydrophobicContact CG-CG2 4.12Å; L367-I369 HydrophobicContact CD1-CG1 4.39Å; L367-I369 HydrophobicContact CD2-CD1 4.38Å; L367-I369 HydrophobicContact CG-CG1 4.23Å; I369-L372 HydrophobicContact CB-CD2 4.22Å; I369-L372 HydrophobicContact CG2-CD2 3.81Å; I369-D376 HydrophobicContact CG2-CB 4.45Å; I369-Y380 HydrophobicContact CD1-CD1 4.39Å; I369-Y380 HydrophobicContact CD1-CE1 3.51Å; I369-Y380 HydrophobicContact CD1-CE2 4.33Å; I369-Y380 VanDerWaalsContact CD1-CZ 3.47Å; I369-Y380 VanDerWaalsContact CD1-OH 3.31Å; I369-Y380 WeakPolarHBondContact CD1-OH 3.49Å; I369-L397 HydrophobicContact CD1-CD2 3.93Å |
| 370 | N | 89.4 | Confident | 86 | Confident | 53 Ų | 53 | 48.2 Ų | 48.2 | 28% | 0.283 | 27% | 0.265 | S | S | . | . | trans | -83.2 | 153.6 | -179.8 | -61.4 | -66 | 0 | 0 | 0 | 111.6 | T329 R358 L372 | T329-N370 WeakPolarHBondContact CG2-OD1 3.37Å; T329-N370 WeakPolarHBondContact OG1-CA 3Å; T329-N370 PolarHBondContact OG1-OD1 3.12Å; R358-N370 WeakPolarHBondContact CB-O 3.45Å; R358-N370 WeakPolarHBondContact CD-O 3.35Å; R358-N370 PolarHBondContact NH1-O 3.43Å; R358-N370 VanDerWaalsContact NH1-O 3.12Å; R358-N370 PolarHBondContact O-N 3.05Å; R358-N370 PolarHBondContact O-ND2 3.39Å; N370-L372 PolarHBondContact O-N 2.82Å | ||
| 371 | Q | 84.6 | Confident | 86.2 | Confident | 137 Ų | 137 | 42.7 Ų | 42.7 | 64% | 0.64 | 24% | 0.241 | S | C | * | . | S | Bend | trans | 50.3 | 61.7 | 175.5 | -63.8 | 177.2 | -16.4 | 0 | 0 | 112 | G327 N328 R358 A373 | G327-Q371 WeakPolarHBondContact O-CA 3.42Å; N328-Q371 PolarHBondContact O-N 2.86Å; N328-Q371 VanDerWaalsContact O-N 3.16Å; R358-Q371 PolarHBondContact NH1-O 3.23Å; R358-Q371 VanDerWaalsContact NH1-O 3.09Å; Q371-A373 PolarHBondContact O-N 2.9Å |
| 372 | L | 87.2 | Confident | 86.5 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | trans | -51 | 129 | -175.7 | -77.5 | 170.5 | 0 | 0 | 0 | 112.6 | L324 R326 G327 N328 A330 I369 N370 D376 L397 V399 | L324-L372 HydrophobicContact CB-CD1 3.55Å; L324-L372 HydrophobicContact CD1-CD1 3.95Å; L324-L372 HydrophobicContact CG-CD1 4.41Å; R326-L372 CarbonylContact C-O 3.54Å; R326-L372 WeakPolarHBondContact CA-O 3.4Å; R326-L372 WeakPolarHBondContact CG-O 3.33Å; G327-L372 PolarHBondContact N-O 2.85Å; N328-L372 HydrophobicContact CB-CD1 4.24Å; N328-L372 VanDerWaalsContact O-CG 3.3Å; N328-L372 WeakPolarHBondContact O-CG 3.29Å; N328-L372 PolarHBondContact O-N 2.81Å; A330-L372 HydrophobicContact CB-CD1 4.2Å; A330-L372 HydrophobicContact CB-CD2 4.08Å; A330-L372 HydrophobicContact CB-CG 4.5Å; I369-L372 HydrophobicContact CB-CD2 4.22Å; I369-L372 HydrophobicContact CG2-CD2 3.81Å; N370-L372 PolarHBondContact O-N 2.82Å; L372-D376 WeakPolarHBondContact CA-OD2 3.37Å; L372-D376 HydrophobicContact CD2-CB 3.93Å; L372-L397 HydrophobicContact CD1-CD1 4.48Å; L372-L397 HydrophobicContact CD2-CD1 4.42Å; L372-L397 HydrophobicContact CD2-CD2 3.75Å; L372-V399 HydrophobicContact CB-CG1 4.39Å; L372-V399 HydrophobicContact CD2-CG2 4.37Å | ||
| 373 | A | 85.4 | Confident | 86.7 | Confident | 27 Ų | 27 | 37.4 Ų | 37.4 | 22% | 0.223 | 21% | 0.213 | C | C | . | . | trans | -112.7 | 162 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q371 E375 D376 | Q371-A373 PolarHBondContact O-N 2.9Å; A373-E375 HydrophobicContact CB-CG 3.8Å; A373-E375 PolarHBondContact O-N 2.77Å; A373-D376 PolarHBondContact N-OD2 3.45Å; A373-D376 VanDerWaalsContact O-CB 3.29Å; A373-D376 WeakPolarHBondContact O-CB 3.43Å; A373-D376 PolarHBondContact O-N 3.02Å | ||
| 374 | L | 80 | Confident | 87.5 | Confident | 102 Ų | 102 | 31.6 Ų | 31.6 | 53% | 0.534 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -58.5 | -35.9 | -179.2 | -76 | 173.2 | 0 | 0 | 0 | 112.9 | D376 A377 V399 V401 | L374-D376 PolarHBondContact O-N 2.82Å; L374-D376 VanDerWaalsContact O-N 3.13Å; L374-A377 WeakPolarHBondContact O-CB 3.45Å; L374-A377 PolarHBondContact O-N 3.44Å; L374-A377 VanDerWaalsContact O-N 3.17Å; L374-V399 HydrophobicContact CD2-CG1 4.38Å; L374-V401 HydrophobicContact CD1-CG2 4.27Å; L374-V401 HydrophobicContact CD2-CG2 3.68Å; L374-V401 HydrophobicContact CG-CG2 4.32Å |
| 375 | E | 85 | Confident | 88.4 | Confident | 140 Ų | 140 | 32.5 Ų | 32.5 | 65% | 0.654 | 17% | 0.17 | S | C | * | . | G | 310 helix | trans | -58.9 | -18.5 | 173.4 | 63.6 | -178.9 | -167.4 | 0 | 0 | 114 | K348 R358 A373 | K348-E375 WeakPolarHBondContact CE-O 3.38Å; K348-E375 PolarHBondContact NZ-O 3.28Å; R358-E375 IonicContact CZ-OE1 3.64Å; R358-E375 IonicContact NH2-OE1 3.74Å; R358-E375 PolarHBondContact NH2-OE1 3.46Å; A373-E375 HydrophobicContact CB-CG 3.8Å; A373-E375 PolarHBondContact O-N 2.77Å |
| 376 | D | 89.1 | Confident | 88.6 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.011 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -79.8 | -15.8 | 178.8 | -59.4 | -37.1 | 0 | 0 | 0 | 113.3 | K348 R358 I369 L372 A373 L374 Y380 L397 V399 | K348-D376 IonicContact NZ-OD1 3.53Å; R358-D376 IonicContact CZ-OD1 2.76Å; R358-D376 IonicContact CZ-OD2 2.79Å; R358-D376 VanDerWaalsContact CZ-OD2 3.3Å; R358-D376 IonicContact NH1-OD1 2.88Å; R358-D376 IonicContact NH1-OD2 3.8Å; R358-D376 PolarHBondContact NH1-OD2 3.25Å; R358-D376 VanDerWaalsContact NH2-CG 3.34Å; R358-D376 IonicContact NH2-OD1 3.83Å; R358-D376 PolarHBondContact NH2-OD1 3.46Å; R358-D376 IonicContact NH2-OD2 3.75Å; R358-D376 PolarHBondContact NH2-OD2 3.45Å; R358-D376 VanDerWaalsContact NH2-OD2 3.08Å; I369-D376 HydrophobicContact CG2-CB 4.45Å; L372-D376 WeakPolarHBondContact CA-OD2 3.37Å; L372-D376 HydrophobicContact CD2-CB 3.93Å; A373-D376 PolarHBondContact N-OD2 3.45Å; A373-D376 VanDerWaalsContact O-CB 3.29Å; A373-D376 WeakPolarHBondContact O-CB 3.43Å; A373-D376 PolarHBondContact O-N 3.02Å; L374-D376 PolarHBondContact O-N 2.82Å; L374-D376 VanDerWaalsContact O-N 3.13Å; D376-Y380 WeakPolarHBondContact O-CE2 3.46Å; D376-Y380 PolarHBondContact O-OH 3.45Å; D376-L397 HydrophobicContact CB-CD2 4.18Å; D376-L397 WeakPolarHBondContact O-CD2 3.41Å; D376-V399 HydrophobicContact CB-CG2 4.38Å |
| 377 | A | 87.4 | Confident | 88.1 | Confident | 37 Ų | 37 | 36.7 Ų | 36.7 | 31% | 0.306 | 21% | 0.211 | S | C | . | . | trans | -60.8 | 148.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L374 L397 V399 | L374-A377 WeakPolarHBondContact O-CB 3.45Å; L374-A377 PolarHBondContact O-N 3.44Å; L374-A377 VanDerWaalsContact O-N 3.17Å; A377-L397 WeakPolarHBondContact CA-O 3.32Å; A377-V399 HydrophobicContact CB-CB 4.47Å; A377-V399 HydrophobicContact CB-CG2 4.19Å | ||
| 378 | G | 87.5 | Confident | 87.5 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 138.1 | -162.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | I109 N349 L397 | I109-G378 WeakPolarHBondContact O-CA 3.31Å; N349-G378 WeakPolarHBondContact OD1-CA 3.37Å; G378-L397 PolarHBondContact N-O 2.92Å; G378-L397 PolarHBondContact O-N 3.3Å |
| 379 | Y | 88.8 | Confident | 86.8 | Confident | 16 Ų | 16 | 38.4 Ų | 38.4 | 6% | 0.063 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 140.3 | 179.2 | -64.5 | -77.5 | 0 | 0 | 0 | 112 | I109 L112 K348 N349 T394 A395 R396 | I109-Y379 HydrophobicContact CB-CE2 3.87Å; I109-Y379 HydrophobicContact CG2-CD2 4.29Å; I109-Y379 HydrophobicContact CG2-CE2 3.75Å; L112-Y379 VanDerWaalsContact CD2-CB 3.46Å; L112-Y379 HydrophobicContact CD2-CD1 3.92Å; L112-Y379 HydrophobicContact CD2-CD2 4.17Å; L112-Y379 HydrophobicContact CD2-CG 3.6Å; L112-Y379 HydrophobicContact CG-CD1 4.44Å; L112-Y379 HydrophobicContact CG-CD2 4.18Å; L112-Y379 HydrophobicContact CG-CG 4.08Å; K348-Y379 CarbonylContact C-O 3.58Å; K348-Y379 WeakPolarHBondContact CA-O 3.35Å; N349-Y379 PolarHBondContact N-O 3.36Å; N349-Y379 PolarHBondContact OD1-N 3.16Å; Y379-T394 HydrophobicContact CD1-CG2 4.16Å; Y379-A395 WeakPolarHBondContact CA-O 3.39Å; Y379-R396 HydrophobicContact CD1-CB 4.14Å; Y379-R396 HydrophobicContact CD1-CG 4.4Å; Y379-R396 HydrophobicContact CE1-CB 4.11Å; Y379-R396 HydrophobicContact CE1-CG 4.19Å |
| 380 | Y | 91.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 126.1 | 178.2 | -74 | -92.6 | 0 | 0 | 0 | 108.9 | F332 L347 K348 I353 M359 L367 I369 D376 T394 A395 L397 | F332-Y380 HydrophobicContact CE2-CD1 4.49Å; F332-Y380 HydrophobicContact CE2-CD2 4.2Å; F332-Y380 HydrophobicContact CE2-CG 4.15Å; F332-Y380 HydrophobicContact CZ-CD2 4.28Å; L347-Y380 WeakPolarHBondContact O-CA 3.3Å; K348-Y380 HydrophobicContact CB-CD1 4.19Å; K348-Y380 HydrophobicContact CB-CE1 3.83Å; K348-Y380 HydrophobicContact CD-CE1 4.02Å; K348-Y380 VanDerWaalsContact CD-OH 3.32Å; K348-Y380 WeakPolarHBondContact CD-OH 3.19Å; K348-Y380 VanDerWaalsContact CE-OH 3.24Å; K348-Y380 WeakPolarHBondContact CE-OH 3.38Å; K348-Y380 HydrophobicContact CG-CD1 4.4Å; K348-Y380 HydrophobicContact CG-CE1 3.78Å; K348-Y380 HydrophobicContact CG-CE2 4.22Å; I353-Y380 HydrophobicContact CD1-CD1 3.76Å; I353-Y380 HydrophobicContact CD1-CE1 3.78Å; M359-Y380 HydrophobicContact CE-CE1 3.8Å; L367-Y380 HydrophobicContact CD2-CD1 3.42Å; L367-Y380 VanDerWaalsContact CD2-CD1 3.42Å; L367-Y380 HydrophobicContact CD2-CE1 3.81Å; L367-Y380 HydrophobicContact CD2-CG 4.41Å; I369-Y380 HydrophobicContact CD1-CD1 4.39Å; I369-Y380 HydrophobicContact CD1-CE1 3.51Å; I369-Y380 HydrophobicContact CD1-CE2 4.33Å; I369-Y380 VanDerWaalsContact CD1-CZ 3.47Å; I369-Y380 VanDerWaalsContact CD1-OH 3.31Å; I369-Y380 WeakPolarHBondContact CD1-OH 3.49Å; D376-Y380 WeakPolarHBondContact O-CE2 3.46Å; D376-Y380 PolarHBondContact O-OH 3.45Å; Y380-T394 CarbonylContact O-C 3.53Å; Y380-T394 WeakPolarHBondContact O-CA 3.27Å; Y380-A395 PolarHBondContact N-O 3.47Å; Y380-A395 PolarHBondContact O-N 3.19Å; Y380-L397 HydrophobicContact CD2-CB 3.88Å; Y380-L397 HydrophobicContact CD2-CD2 4.49Å; Y380-L397 HydrophobicContact CE2-CB 3.64Å; Y380-L397 HydrophobicContact CE2-CD2 3.69Å; Y380-L397 HydrophobicContact CE2-CG 4.31Å |
| 381 | Q | 90.1 | Very high | 86 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 125.5 | -177.5 | -57 | -177.2 | -93 | 0 | 0 | 109.3 | C27 L112 T113 W346 L347 A393 T394 | C27-Q381 PolarHBondContact SG-NE2 3.29Å; L112-Q381 HydrophobicContact CD2-CG 4.03Å; T113-Q381 PolarHBondContact O-NE2 3.41Å; W346-Q381 CarbonylContact C-O 3.53Å; W346-Q381 VanDerWaalsContact CA-O 3.31Å; W346-Q381 WeakPolarHBondContact CA-O 3.35Å; L347-Q381 HydrophobicContact CB-CB 4.22Å; L347-Q381 PolarHBondContact N-O 3.13Å; L347-Q381 PolarHBondContact O-N 3.3Å; Q381-A393 CarbonylContact C-O 3.58Å; Q381-A393 WeakPolarHBondContact CA-O 3.42Å; Q381-T394 HydrophobicContact CG-CG2 4.33Å |
| 382 | C | 91.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 130.7 | 167.8 | 176.9 | 0 | 0 | 0 | 0 | 108.8 | C334 W346 C392 A393 | C334-C382 HydrophobicContact CB-CB 3.56Å; C334-C382 WeakPolarHBondContact CB-SG 3.34Å; C334-C382 WeakPolarHBondContact SG-CB 3.43Å; C334-C382 CovalentContact SG-SG 2.03Å; C334-C382 PolarHBondContact SG-SG 3.01Å; W346-C382 HydrophobicContact CD2-CB 4.21Å; W346-C382 HydrophobicContact CE3-CB 4.03Å; W346-C382 HydrophobicContact CH2-CB 3.81Å; W346-C382 HydrophobicContact CZ2-CB 4Å; W346-C382 HydrophobicContact CZ3-CB 3.83Å; C382-C392 CarbonylContact O-C 3.55Å; C382-C392 WeakPolarHBondContact O-CA 3.25Å; C382-C392 PolarHBondContact O-SG 3.45Å; C382-A393 PolarHBondContact N-O 3.42Å; C382-A393 PolarHBondContact O-N 2.99Å |
| 383 | I | 88.8 | Confident | 86.1 | Confident | 26 Ų | 26 | 31.6 Ų | 31.6 | 13% | 0.133 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 132.6 | 176.7 | -56.7 | 174.3 | 0 | 0 | 0 | 108.7 | L344 H345 L347 A391 C392 | L344-I383 WeakPolarHBondContact CA-O 3.18Å; H345-I383 PolarHBondContact N-O 3.27Å; H345-I383 WeakPolarHBondContact NE2-CB 3.44Å; H345-I383 WeakPolarHBondContact NE2-CG2 3.41Å; H345-I383 PolarHBondContact O-N 3.3Å; L347-I383 HydrophobicContact CD1-CD1 3.64Å; L347-I383 HydrophobicContact CD2-CD1 4.45Å; L347-I383 HydrophobicContact CG-CD1 3.87Å; I383-A391 WeakPolarHBondContact CA-O 3.43Å; I383-C392 HydrophobicContact CG1-CB 4.01Å |
| 384 | A | 89.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 124.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | P313 I315 P342 V343 L344 T390 A391 | P313-A384 HydrophobicContact CB-CB 4.03Å; P313-A384 WeakPolarHBondContact CG-O 3.35Å; I315-A384 HydrophobicContact CG1-CB 4.16Å; P342-A384 HydrophobicContact CB-CB 4.17Å; P342-A384 HydrophobicContact CG-CB 4.23Å; V343-A384 WeakPolarHBondContact O-CA 3.47Å; L344-A384 HydrophobicContact CD2-CB 3.52Å; A384-T390 CarbonylContact O-C 3.58Å; A384-T390 VanDerWaalsContact O-CA 3.29Å; A384-T390 WeakPolarHBondContact O-CA 3.38Å; A384-A391 PolarHBondContact N-O 3.37Å; A384-A391 PolarHBondContact O-N 3.47Å |
| 385 | E | 87.6 | Confident | 86.7 | Confident | 96 Ų | 96 | 27.6 Ų | 27.6 | 45% | 0.449 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 135.7 | -174.2 | -178.4 | 174.3 | -177.2 | 0 | 0 | 112.1 | P342 V343 H345 T390 | P342-E385 CarbonylContact C-O 3.19Å; P342-E385 WeakPolarHBondContact CA-O 3.38Å; P342-E385 VanDerWaalsContact CB-O 3.3Å; P342-E385 WeakPolarHBondContact CB-O 3.29Å; V343-E385 PolarHBondContact N-O 2.86Å; V343-E385 PolarHBondContact O-N 3.05Å; H345-E385 IonicContact CE1-OE2 3.84Å; H345-E385 PolarHBondContact CE1-OE2 3.35Å; E385-T390 HydrophobicContact CB-CG2 4.1Å; E385-T390 HydrophobicContact CG-CG2 3.88Å |
| 386 | N | 87.3 | Confident | 86.9 | Confident | 20 Ų | 20 | 25.2 Ų | 25.2 | 11% | 0.107 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 177.1 | 162.7 | 78 | 11.6 | 0 | 0 | 0 | 110.2 | A311 P313 P340 P342 L388 G389 | A311-N386 PolarHBondContact O-ND2 2.92Å; P313-N386 WeakPolarHBondContact CD-OD1 3.31Å; P340-N386 PolarHBondContact O-ND2 3.39Å; P342-N386 HydrophobicContact CB-CB 4.24Å; N386-L388 PolarHBondContact O-N 3.47Å; N386-L388 WeakPolarHBondContact OD1-CB 3.43Å; N386-L388 PolarHBondContact OD1-N 3.36Å; N386-G389 PolarHBondContact N-O 3.21Å; N386-G389 PolarHBondContact O-N 3.45Å; N386-G389 VanDerWaalsContact O-O 3.06Å; N386-G389 PolarHBondContact OD1-N 3.1Å |
| 387 | G | 80.8 | Confident | 87 | Confident | 85 Ų | 85 | 25.2 Ų | 25.2 | 88% | 0.876 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -4.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 388 | L | 80.2 | Confident | 86.9 | Confident | 53 Ų | 53 | 26 Ų | 26 | 28% | 0.277 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -20.3 | 174 | -61.3 | -179.8 | 0 | 0 | 0 | 113.4 | S32 V235 A310 P312 N386 | S32-L388 WeakPolarHBondContact CB-O 3.35Å; S32-L388 PolarHBondContact OG-O 2.96Å; V235-L388 HydrophobicContact CG1-CD1 4.35Å; V235-L388 HydrophobicContact CG2-CD1 4.03Å; V235-L388 HydrophobicContact CG2-CD2 3.83Å; A310-L388 HydrophobicContact CB-CD1 3.66Å; P312-L388 HydrophobicContact CB-CB 4.28Å; N386-L388 PolarHBondContact O-N 3.47Å; N386-L388 WeakPolarHBondContact OD1-CB 3.43Å; N386-L388 PolarHBondContact OD1-N 3.36Å |
| 389 | G | 78.3 | Confident | 86.8 | Confident | 9 Ų | 9 | 26.7 Ų | 26.7 | 9% | 0.093 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.2 | -159.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116 | P313 N386 | P313-G389 WeakPolarHBondContact CD-O 3.47Å; P313-G389 VanDerWaalsContact CG-O 3.22Å; P313-G389 WeakPolarHBondContact CG-O 3.44Å; N386-G389 PolarHBondContact N-O 3.21Å; N386-G389 PolarHBondContact O-N 3.45Å; N386-G389 VanDerWaalsContact O-O 3.06Å; N386-G389 PolarHBondContact OD1-N 3.1Å |
| 390 | T | 81.9 | Confident | 86.2 | Confident | 26 Ų | 26 | 29.4 Ų | 29.4 | 16% | 0.16 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 147.2 | -173.7 | 54.8 | 0 | 0 | 0 | 0 | 112.3 | A384 E385 | A384-T390 CarbonylContact O-C 3.58Å; A384-T390 VanDerWaalsContact O-CA 3.29Å; A384-T390 WeakPolarHBondContact O-CA 3.38Å; E385-T390 HydrophobicContact CB-CG2 4.1Å; E385-T390 HydrophobicContact CG-CG2 3.88Å |
| 391 | A | 83.8 | Confident | 84.9 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 2% | 0.017 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 144.7 | 168 | 0 | 0 | 0 | 0 | 0 | 109.3 | A29 P313 I315 I383 A384 | A29-A391 HydrophobicContact CB-CB 4.45Å; P313-A391 HydrophobicContact CB-CB 4.32Å; P313-A391 HydrophobicContact CG-CB 4.32Å; I315-A391 HydrophobicContact CG1-CB 4.22Å; I383-A391 WeakPolarHBondContact CA-O 3.43Å; A384-A391 PolarHBondContact N-O 3.37Å; A384-A391 PolarHBondContact O-N 3.47Å |
| 392 | C | 86.4 | Confident | 83.1 | Confident | 11 Ų | 11 | 41.2 Ų | 41.2 | 7% | 0.074 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 158.7 | -178.7 | 175 | 0 | 0 | 0 | 0 | 111.9 | C27 C382 I383 | C27-C392 HydrophobicContact CB-CB 4.3Å; C27-C392 CarbonylContact O-C 3.54Å; C27-C392 WeakPolarHBondContact O-CA 3.45Å; C27-C392 WeakPolarHBondContact O-CB 3.4Å; C27-C392 PolarHBondContact O-N 3.38Å; C382-C392 CarbonylContact O-C 3.55Å; C382-C392 WeakPolarHBondContact O-CA 3.25Å; C382-C392 PolarHBondContact O-SG 3.45Å; I383-C392 HydrophobicContact CG1-CB 4.01Å |
| 393 | A | 87.6 | Confident | 81.2 | Confident | 10 Ų | 10 | 44.9 Ų | 44.9 | 8% | 0.083 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 145.3 | 174 | 0 | 0 | 0 | 0 | 0 | 110.8 | I315 Q381 C382 | I315-A393 HydrophobicContact CD1-CB 3.71Å; I315-A393 HydrophobicContact CG2-CB 4.06Å; Q381-A393 CarbonylContact C-O 3.58Å; Q381-A393 WeakPolarHBondContact CA-O 3.42Å; C382-A393 PolarHBondContact N-O 3.42Å; C382-A393 PolarHBondContact O-N 2.99Å |
| 394 | T | 88.3 | Confident | 79.4 | Confident | 44 Ų | 44 | 44.9 Ų | 44.9 | 27% | 0.27 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 138.2 | -165.1 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | C27 L112 Y379 Y380 Q381 | C27-T394 PolarHBondContact SG-OG1 2.77Å; C27-T394 VanDerWaalsContact SG-OG1 3.36Å; L112-T394 HydrophobicContact CD2-CG2 3.45Å; L112-T394 VanDerWaalsContact CD2-CG2 3.45Å; Y379-T394 HydrophobicContact CD1-CG2 4.16Å; Y380-T394 CarbonylContact O-C 3.53Å; Y380-T394 WeakPolarHBondContact O-CA 3.27Å; Q381-T394 HydrophobicContact CG-CG2 4.33Å |
| 395 | A | 89.9 | Confident | 78 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 150.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | P319 E320 F332 Y379 Y380 | P319-A395 HydrophobicContact CB-CB 3.89Å; P319-A395 HydrophobicContact CG-CB 3.97Å; E320-A395 WeakPolarHBondContact O-CB 3.34Å; F332-A395 HydrophobicContact CD1-CB 3.79Å; F332-A395 HydrophobicContact CE1-CB 3.77Å; Y379-A395 WeakPolarHBondContact CA-O 3.39Å; Y380-A395 PolarHBondContact N-O 3.47Å; Y380-A395 PolarHBondContact O-N 3.19Å |
| 396 | R | 89.2 | Confident | 77.4 | Confident | 91 Ų | 91 | 44.9 Ų | 44.9 | 34% | 0.343 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 135.6 | 172.6 | -173.7 | 172 | 69.5 | -175.7 | 0.7 | 110.7 | D52 I109 S321 V322 Y379 | D52-R396 IonicContact OD2-NH1 3.93Å; D52-R396 PolarHBondContact OD2-NH1 3.23Å; I109-R396 HydrophobicContact CG2-CG 4.44Å; S321-R396 CarbonylContact C-O 3.6Å; S321-R396 VanDerWaalsContact CA-O 3.25Å; S321-R396 WeakPolarHBondContact CA-O 3.42Å; S321-R396 WeakPolarHBondContact CB-O 3.2Å; S321-R396 PolarHBondContact OG-N 3.46Å; V322-R396 PolarHBondContact N-O 3.13Å; Y379-R396 HydrophobicContact CD1-CB 4.14Å; Y379-R396 HydrophobicContact CD1-CG 4.4Å; Y379-R396 HydrophobicContact CE1-CB 4.11Å; Y379-R396 HydrophobicContact CE1-CG 4.19Å |
| 397 | L | 90.3 | Very high | 77.1 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 119.1 | 170.1 | -178.3 | 50.1 | 0 | 0 | 0 | 110.1 | V322 A330 F332 I369 L372 D376 A377 G378 Y380 V399 | V322-L397 HydrophobicContact CG2-CD1 3.74Å; V322-L397 WeakPolarHBondContact O-CA 3.42Å; A330-L397 HydrophobicContact CB-CD1 4.18Å; A330-L397 HydrophobicContact CB-CD2 4.3Å; F332-L397 HydrophobicContact CE2-CD2 4.3Å; F332-L397 HydrophobicContact CZ-CB 3.99Å; F332-L397 HydrophobicContact CZ-CD1 4.33Å; F332-L397 HydrophobicContact CZ-CD2 4.33Å; F332-L397 HydrophobicContact CZ-CG 4.45Å; I369-L397 HydrophobicContact CD1-CD2 3.93Å; L372-L397 HydrophobicContact CD1-CD1 4.48Å; L372-L397 HydrophobicContact CD2-CD1 4.42Å; L372-L397 HydrophobicContact CD2-CD2 3.75Å; D376-L397 HydrophobicContact CB-CD2 4.18Å; D376-L397 WeakPolarHBondContact O-CD2 3.41Å; A377-L397 WeakPolarHBondContact CA-O 3.32Å; G378-L397 PolarHBondContact N-O 2.92Å; G378-L397 PolarHBondContact O-N 3.3Å; Y380-L397 HydrophobicContact CD2-CB 3.88Å; Y380-L397 HydrophobicContact CD2-CD2 4.49Å; Y380-L397 HydrophobicContact CE2-CB 3.64Å; Y380-L397 HydrophobicContact CE2-CD2 3.69Å; Y380-L397 HydrophobicContact CE2-CG 4.31Å; L397-V399 HydrophobicContact CG-CG2 4.22Å |
| 398 | T | 86.3 | Confident | 77.5 | Confident | 54 Ų | 54 | 44.3 Ų | 44.3 | 33% | 0.331 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 125 | 170.2 | -53.3 | 0 | 0 | 0 | 0 | 109.3 | V322 S323 L324 | V322-T398 PolarHBondContact O-N 3.45Å; S323-T398 CarbonylContact C-O 3.52Å; S323-T398 WeakPolarHBondContact CA-O 3.38Å; L324-T398 PolarHBondContact N-O 3.23Å |
| 399 | V | 84 | Confident | 78.1 | Confident | 14 Ų | 14 | 41.8 Ų | 41.8 | 9% | 0.085 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 111.2 | 178.2 | -177.3 | 0 | 0 | 0 | 0 | 110.2 | L324 R326 L372 L374 D376 A377 L397 | L324-V399 CarbonylContact O-C 3.55Å; L324-V399 WeakPolarHBondContact O-CA 3.36Å; R326-V399 HydrophobicContact CB-CG1 4.23Å; L372-V399 HydrophobicContact CB-CG1 4.39Å; L372-V399 HydrophobicContact CD2-CG2 4.37Å; L374-V399 HydrophobicContact CD2-CG1 4.38Å; D376-V399 HydrophobicContact CB-CG2 4.38Å; A377-V399 HydrophobicContact CB-CB 4.47Å; A377-V399 HydrophobicContact CB-CG2 4.19Å; L397-V399 HydrophobicContact CG-CG2 4.22Å |
| 400 | I | 77.4 | Confident | 78.8 | Confident | 73 Ų | 73 | 45.5 Ų | 45.5 | 37% | 0.374 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 126.2 | -178 | -55.2 | 171.6 | 0 | 0 | 0 | 109.5 | L324 S325 R326 K402 | L324-I400 PolarHBondContact O-N 3.43Å; S325-I400 CarbonylContact C-O 3.49Å; S325-I400 WeakPolarHBondContact CA-O 3.4Å; R326-I400 PolarHBondContact N-O 3.39Å; I400-K402 PolarHBondContact O-N 3.07Å |
| 401 | V | 63 | Low | 79.3 | Confident | 83 Ų | 83 | 50.5 Ų | 50.5 | 50% | 0.503 | 26% | 0.258 | S | S | . | . | trans | -81.9 | 116.5 | 168 | -173.2 | 0 | 0 | 0 | 0 | 108.3 | L374 | L374-V401 HydrophobicContact CD1-CG2 4.27Å; L374-V401 HydrophobicContact CD2-CG2 3.68Å; L374-V401 HydrophobicContact CG-CG2 4.32Å | ||
| 402 | K | 53 | Low | 79.8 | Confident | 165 Ų | 165 | 51.5 Ų | 51.5 | 72% | 0.717 | 26% | 0.263 | S | S | * | . | trans | -97.6 | 111 | 171 | -100.9 | -172.1 | 172 | -176.7 | 0 | 110.3 | I400 | I400-K402 PolarHBondContact O-N 3.07Š| ||
| 403 | E | 50.9 | Low | 80.2 | Confident | 78 Ų | 78 | 54.4 Ų | 54.4 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | trans | 19.5 | 145.2 | 157.9 | -40.7 | -158.3 | 177 | 0 | 0 | 121.8 | Q435 M486 | E403-Q435 VanDerWaalsContact CD-CD 3.5Å; E403-Q435 PolarHBondContact OE2-OE1 3.29Å; E403-M486 HydrophobicContact CB-CG 3.7Å; E403-M486 HydrophobicContact CB-SD 3.79Å; E403-M486 WeakPolarHBondContact OE2-CG 3.31Å | ||
| 404 | G | 52.1 | Low | 80.6 | Confident | 26 Ų | 26 | 54.5 Ų | 54.5 | 27% | 0.268 | 28% | 0.281 | S | S | . | . | trans | -139.3 | 176.2 | 157.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | N432 | G404-N432 PolarHBondContact O-ND2 3.19Š| ||
| 405 | L | 60.6 | Low | 80.8 | Confident | 93 Ų | 93 | 56 Ų | 56 | 49% | 0.487 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 144.9 | 174.8 | -67.3 | 173 | 0 | 0 | 0 | 111 | N432 M486 | L405-N432 PolarHBondContact O-ND2 3.43Å; L405-M486 HydrophobicContact CD2-CB 4.08Å; L405-M486 WeakPolarHBondContact CD2-O 3.21Å |
| 406 | P | 74.1 | Confident | 80.9 | Confident | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.013 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 148.3 | 171.9 | -18.6 | 31.9 | 0 | 0 | 0 | 111.2 | P429 I436 A482 S489 | P406-P429 HydrophobicContact CB-CB 4.37Å; P406-P429 HydrophobicContact CB-CG 4.23Å; P406-I436 HydrophobicContact CG-CG1 4.33Å; P406-A482 HydrophobicContact CB-CB 4.3Å; P406-S489 WeakPolarHBondContact O-CA 3.29Å; P406-S489 WeakPolarHBondContact O-CB 3.4Å |
| 407 | S | 81.2 | Confident | 80.8 | Confident | 26 Ų | 26 | 60.1 Ų | 60.1 | 18% | 0.182 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 169.7 | 166.1 | 66.7 | 0 | 0 | 0 | 0 | 110.5 | P429 E430 Y431 S489 | S407-P429 VanDerWaalsContact O-CB 3.27Å; S407-P429 WeakPolarHBondContact O-CB 3.49Å; S407-P429 VanDerWaalsContact O-CG 3.22Å; S407-P429 WeakPolarHBondContact O-CG 3.33Å; S407-P429 WeakPolarHBondContact OG-CB 3.38Å; S407-E430 PolarHBondContact OG-N 3.28Å; S407-Y431 PolarHBondContact N-O 3.18Å; S407-Y431 PolarHBondContact OG-N 3.06Å; S407-S489 VanDerWaalsContact O-CB 3.27Å; S407-S489 WeakPolarHBondContact O-CB 3.14Å |
| 408 | L | 89.9 | Confident | 80.7 | Confident | 67 Ų | 67 | 61.7 Ų | 61.7 | 35% | 0.351 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 148 | 175.2 | 60.9 | 149.3 | 0 | 0 | 0 | 112.4 | P490 P491 | L408-P490 WeakPolarHBondContact CA-O 3.47Å; L408-P490 HydrophobicContact CB-CB 4.37Å; L408-P490 WeakPolarHBondContact CB-O 3.23Å; L408-P491 WeakPolarHBondContact CB-O 3.42Å |
| 409 | P | 92.1 | Very high | 80.7 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 143.1 | 164.6 | -21.1 | 33.1 | 0 | 0 | 0 | 110.9 | Y439 V480 A482 S492 | P409-Y439 HydrophobicContact CG-CD1 4.26Å; P409-Y439 HydrophobicContact CG-CE1 4.21Å; P409-V480 HydrophobicContact CB-CB 4.5Å; P409-V480 HydrophobicContact CB-CG1 4.42Å; P409-V480 HydrophobicContact CG-CB 4.36Å; P409-V480 HydrophobicContact CG-CG1 4.09Å; P409-A482 HydrophobicContact CG-CB 4.16Å; P409-S492 WeakPolarHBondContact O-CB 3.4Å |
| 410 | R | 93.3 | Very high | 80.8 | Confident | 87 Ų | 87 | 61.5 Ų | 61.5 | 33% | 0.328 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 165.8 | -174.4 | -55.4 | -170.2 | -52.7 | 179.2 | 14.9 | 111.3 | L412 E427 E430 | R410-L412 VanDerWaalsContact C-N 3.26Å; R410-L412 PolarHBondContact O-N 2.92Å; R410-E427 HydrophobicContact CB-CB 4.1Å; R410-E427 IonicContact CZ-OE2 3.41Å; R410-E427 PolarHBondContact N-O 3.16Å; R410-E427 VanDerWaalsContact N-O 3.14Å; R410-E427 IonicContact NE-OE2 3.67Å; R410-E427 IonicContact NH2-OE2 3.09Å; R410-E427 PolarHBondContact NH2-OE2 3.1Å; R410-E427 PolarHBondContact O-N 2.9Å; R410-E430 IonicContact CZ-OE2 3.6Å; R410-E430 IonicContact NH1-OE2 3.87Å; R410-E430 PolarHBondContact NH1-OE2 3.42Å |
| 411 | H | 92.6 | Very high | 81.4 | Confident | 131 Ų | 131 | 58.9 Ų | 58.9 | 61% | 0.606 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 46.9 | 41.8 | 171.2 | -63.1 | -78 | 0 | 0 | 0 | 115.2 | T413 E427 | H411-T413 PolarHBondContact O-N 3.32Å; H411-E427 HydrophobicContact CB-CB 4.39Å; H411-E427 HydrophobicContact CB-CG 4.12Å; H411-E427 VanDerWaalsContact CD2-CD 3.46Å; H411-E427 IonicContact CD2-OE1 3.94Å; H411-E427 PolarHBondContact CD2-OE1 3.03Å; H411-E427 IonicContact CD2-OE2 3.41Å; H411-E427 PolarHBondContact CD2-OE2 3.03Å; H411-E427 IonicContact CG-OE1 3.25Å |
| 412 | L | 94.7 | Very high | 82.7 | Confident | 22 Ų | 22 | 55 Ų | 55 | 12% | 0.115 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 121.8 | 173.2 | 178 | 63.1 | 0 | 0 | 0 | 110 | R410 L424 W426 V480 S492 I495 | R410-L412 VanDerWaalsContact C-N 3.26Å; R410-L412 PolarHBondContact O-N 2.92Å; L412-L424 HydrophobicContact CD1-CB 4.45Å; L412-W426 HydrophobicContact CB-CB 4.48Å; L412-W426 HydrophobicContact CD1-CB 4.11Å; L412-W426 HydrophobicContact CD1-CE3 4.2Å; L412-V480 HydrophobicContact CD1-CG2 3.74Å; L412-V480 HydrophobicContact CD2-CG2 4.07Å; L412-S492 WeakPolarHBondContact CD2-OG 3.27Å; L412-I495 HydrophobicContact CD2-CG2 3.8Å; L412-I495 HydrophobicContact CG-CG2 3.93Å |
| 413 | T | 94.8 | Very high | 84.6 | Confident | 73 Ų | 73 | 49.9 Ų | 49.9 | 45% | 0.448 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 150.8 | 173.3 | 60.8 | 0 | 0 | 0 | 0 | 109.6 | H411 L424 S425 | H411-T413 PolarHBondContact O-N 3.32Å; T413-L424 WeakPolarHBondContact O-CA 3.34Å; T413-S425 PolarHBondContact N-O 2.84Å; T413-S425 PolarHBondContact O-N 2.79Å; T413-S425 PolarHBondContact OG1-O 3.08Å |
| 414 | A | 94.3 | Very high | 86.6 | Confident | 11 Ų | 11 | 46.2 Ų | 46.2 | 9% | 0.091 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 132.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | L423 L424 I495 I497 | A414-L423 WeakPolarHBondContact CA-O 3.38Å; A414-L424 HydrophobicContact CB-CD2 3.4Å; A414-L424 VanDerWaalsContact CB-CD2 3.4Å; A414-I495 HydrophobicContact CB-CD1 4.09Å; A414-I495 HydrophobicContact CB-CG1 4.41Å; A414-I495 HydrophobicContact CB-CG2 3.75Å; A414-I497 HydrophobicContact CB-CD1 4.04Å; A414-I497 HydrophobicContact CB-CG1 4.31Å; A414-I497 HydrophobicContact CB-CG2 3.82Å |
| 415 | T | 92.4 | Very high | 88.6 | Confident | 76 Ų | 76 | 46.4 Ų | 46.4 | 47% | 0.466 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 134.3 | 176.9 | 54.7 | 0 | 0 | 0 | 0 | 110.4 | H417 A422 L423 | T415-H417 PolarHBondContact O-N 2.67Å; T415-A422 CarbonylContact O-C 3.47Å; T415-A422 WeakPolarHBondContact O-CA 3.35Å; T415-L423 PolarHBondContact N-O 2.81Å; T415-L423 PolarHBondContact O-N 2.85Å; T415-L423 PolarHBondContact OG1-O 2.84Å |
| 416 | P | 92.3 | Very high | 90.3 | Very high | 51 Ų | 51 | 42.3 Ų | 42.3 | 33% | 0.331 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 118.3 | 173.9 | 29.6 | -33 | 0 | 0 | 0 | 109.3 | M499 L500 | P416-M499 HydrophobicContact CB-CE 4.07Å; P416-M499 HydrophobicContact CB-SD 4.43Å; P416-L500 HydrophobicContact CB-CG 4.19Å; P416-L500 HydrophobicContact CG-CD2 4.49Å; P416-L500 HydrophobicContact CG-CG 4.46Å |
| 417 | H | 87.1 | Confident | 91.2 | Very high | 127 Ų | 127 | 46.1 Ų | 46.1 | 59% | 0.588 | 25% | 0.248 | S | C | * | . | trans | -91.8 | -31 | -179.4 | -176.2 | 74.8 | 0 | 0 | 0 | 111.7 | T415 T421 L423 L466 | T415-H417 PolarHBondContact O-N 2.67Å; H417-T421 PolarHBondContact N-O 3.13Å; H417-L423 HydrophobicContact CB-CB 4.49Å; H417-L466 HydrophobicContact CB-CD1 3.93Å | ||
| 418 | S | 88.7 | Confident | 91.5 | Very high | 35 Ų | 35 | 49.7 Ų | 49.7 | 25% | 0.245 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -147.4 | -177.3 | 167.2 | 75.8 | 0 | 0 | 0 | 0 | 110.2 | T420 T421 M499 | S418-T420 PolarHBondContact O-N 3.43Å; S418-T420 PolarHBondContact OG-N 3.09Å; S418-T421 WeakPolarHBondContact CB-OG1 3.32Å; S418-T421 PolarHBondContact N-O 2.91Å; S418-T421 PolarHBondContact N-OG1 2.89Å; S418-T421 PolarHBondContact OG-N 3.17Å; S418-T421 VanDerWaalsContact OG-N 3.09Å; S418-T421 PolarHBondContact OG-OG1 2.92Å; S418-M499 WeakPolarHBondContact O-CE 3.48Å |
| 419 | S | 86.1 | Confident | 91.4 | Very high | 19 Ų | 19 | 46.8 Ų | 46.8 | 13% | 0.133 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -58.4 | -23.3 | 170.3 | 56 | 0 | 0 | 0 | 0 | 114 | P472 D502 | S419-P472 WeakPolarHBondContact O-CA 3.08Å; S419-D502 WeakPolarHBondContact CB-OD2 3.15Å; S419-D502 PolarHBondContact OG-OD2 2.93Å |
| 420 | T | 85.9 | Confident | 90.9 | Very high | 45 Ų | 45 | 51.5 Ų | 51.5 | 28% | 0.276 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -125 | 4.3 | -174.7 | 58.7 | 0 | 0 | 0 | 0 | 114.2 | S418 K468 E469 L470 P472 | S418-T420 PolarHBondContact O-N 3.43Å; S418-T420 PolarHBondContact OG-N 3.09Å; T420-K468 CarbonylContact O-C 3.48Å; T420-E469 PolarHBondContact O-N 3.22Å; T420-E469 VanDerWaalsContact O-N 3.16Å; T420-L470 WeakPolarHBondContact CA-O 3.44Å; T420-L470 WeakPolarHBondContact CB-O 3.45Å; T420-L470 WeakPolarHBondContact CG2-O 3.18Å; T420-L470 PolarHBondContact O-N 3.25Å; T420-P472 HydrophobicContact CG2-CG 3.91Å |
| 421 | T | 89.5 | Confident | 89.7 | Confident | 19 Ų | 19 | 54 Ų | 54 | 12% | 0.117 | 28% | 0.278 | C | S | . | . | trans | -139.9 | 137.4 | -178.1 | 69.2 | 0 | 0 | 0 | 0 | 112.4 | H417 S418 V467 K468 M499 | H417-T421 PolarHBondContact N-O 3.13Å; S418-T421 WeakPolarHBondContact CB-OG1 3.32Å; S418-T421 PolarHBondContact N-O 2.91Å; S418-T421 PolarHBondContact N-OG1 2.89Å; S418-T421 PolarHBondContact OG-N 3.17Å; S418-T421 VanDerWaalsContact OG-N 3.09Å; S418-T421 PolarHBondContact OG-OG1 2.92Å; T421-V467 CarbonylContact C-O 3.55Å; T421-V467 WeakPolarHBondContact CA-O 3.13Å; T421-V467 VanDerWaalsContact CB-O 3.29Å; T421-V467 WeakPolarHBondContact CB-O 3.28Å; T421-K468 HydrophobicContact CG2-CB 4.28Å; T421-K468 HydrophobicContact CG2-CG 4Å; T421-M499 VanDerWaalsContact O-CE 3.28Å; T421-M499 WeakPolarHBondContact O-CE 3.26Å | ||
| 422 | A | 90.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 132.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | T415 L466 V467 L470 F478 I497 M499 | T415-A422 CarbonylContact O-C 3.47Å; T415-A422 WeakPolarHBondContact O-CA 3.35Å; A422-L466 CarbonylContact O-C 3.28Å; A422-V467 PolarHBondContact N-O 2.88Å; A422-V467 PolarHBondContact O-N 2.89Å; A422-L470 HydrophobicContact CB-CD1 3.61Å; A422-F478 HydrophobicContact CB-CZ 4.32Å; A422-I497 HydrophobicContact CB-CD1 3.82Å; A422-M499 HydrophobicContact CB-CE 4.06Å; A422-M499 HydrophobicContact CB-SD 4.09Å |
| 423 | L | 92.9 | Very high | 87.5 | Confident | 59 Ų | 59 | 52.1 Ų | 52.1 | 31% | 0.309 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 121.4 | 174.2 | -178.3 | 63.6 | 0 | 0 | 0 | 109.1 | A414 T415 H417 L466 | A414-L423 WeakPolarHBondContact CA-O 3.38Å; T415-L423 PolarHBondContact N-O 2.81Å; T415-L423 PolarHBondContact O-N 2.85Å; T415-L423 PolarHBondContact OG1-O 2.84Å; H417-L423 HydrophobicContact CB-CB 4.49Å; L423-L466 HydrophobicContact CB-CD1 4.23Å; L423-L466 HydrophobicContact CD1-CB 4.41Å |
| 424 | L | 94.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 141.4 | 171.2 | -56.9 | -179.8 | 0 | 0 | 0 | 109.6 | L412 T413 A414 W426 V441 E464 Y465 V467 F478 | L412-L424 HydrophobicContact CD1-CB 4.45Å; T413-L424 WeakPolarHBondContact O-CA 3.34Å; A414-L424 HydrophobicContact CB-CD2 3.4Å; A414-L424 VanDerWaalsContact CB-CD2 3.4Å; L424-W426 HydrophobicContact CB-CE3 4.26Å; L424-W426 HydrophobicContact CB-CZ3 4.02Å; L424-V441 HydrophobicContact CD1-CG1 3.46Å; L424-V441 VanDerWaalsContact CD1-CG1 3.46Å; L424-V441 HydrophobicContact CD1-CG2 4.22Å; L424-E464 CarbonylContact O-C 3.59Å; L424-E464 VanDerWaalsContact O-CA 3.23Å; L424-E464 WeakPolarHBondContact O-CA 3.44Å; L424-Y465 PolarHBondContact N-O 3.26Å; L424-Y465 PolarHBondContact O-N 3.05Å; L424-V467 HydrophobicContact CD1-CG2 3.64Å; L424-V467 HydrophobicContact CG-CG2 3.85Å; L424-F478 HydrophobicContact CD1-CB 4.44Å; L424-F478 HydrophobicContact CD1-CD1 3.78Å; L424-F478 HydrophobicContact CD1-CE1 4.39Å; L424-F478 HydrophobicContact CD1-CG 4.28Å; L424-F478 HydrophobicContact CD2-CB 4.23Å; L424-F478 HydrophobicContact CD2-CD1 4.07Å; L424-F478 HydrophobicContact CD2-CD2 4.23Å; L424-F478 HydrophobicContact CD2-CG 3.92Å; L424-F478 HydrophobicContact CG-CD1 4.45Å |
| 425 | S | 94.1 | Very high | 84.8 | Confident | 30 Ų | 30 | 56 Ų | 56 | 21% | 0.21 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 135.8 | 172.3 | -178.8 | 0 | 0 | 0 | 0 | 109.2 | T413 E464 | T413-S425 PolarHBondContact N-O 2.84Å; T413-S425 PolarHBondContact O-N 2.79Å; T413-S425 PolarHBondContact OG1-O 3.08Å; S425-E464 VanDerWaalsContact CB-OE1 3.26Å; S425-E464 WeakPolarHBondContact CB-OE1 3.48Å; S425-E464 WeakPolarHBondContact OG-CG 3.47Å; S425-E464 PolarHBondContact OG-OE1 2.84Å |
| 426 | W | 94.9 | Very high | 84 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 3% | 0.027 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 165.8 | -178.4 | 60.8 | 93 | 0 | 0 | 0 | 111.8 | L412 L424 Y439 V441 V458 T463 V480 | L412-W426 HydrophobicContact CB-CB 4.48Å; L412-W426 HydrophobicContact CD1-CB 4.11Å; L412-W426 HydrophobicContact CD1-CE3 4.2Å; L424-W426 HydrophobicContact CB-CE3 4.26Å; L424-W426 HydrophobicContact CB-CZ3 4.02Å; W426-Y439 HydrophobicContact CZ2-CD2 4.19Å; W426-Y439 HydrophobicContact CZ2-CG 4.08Å; W426-Y439 AromaticContact NE1-CD1 3.63Å; W426-Y439 AromaticContact NE1-CD2 3.95Å; W426-Y439 AromaticContact NE1-CE1 3.62Å; W426-Y439 AromaticContact NE1-CE2 3.96Å; W426-Y439 AromaticContact NE1-CG 3.81Å; W426-Y439 AromaticContact NE1-CZ 3.82Å; W426-V441 HydrophobicContact CH2-CG2 4.05Å; W426-V441 HydrophobicContact CZ3-CG2 4.21Å; W426-V458 HydrophobicContact CH2-CB 4.48Å; W426-V458 HydrophobicContact CH2-CG1 4.04Å; W426-V458 HydrophobicContact CZ2-CG1 4.2Å; W426-T463 PolarHBondContact N-O 2.9Å; W426-T463 WeakPolarHBondContact O-CB 3.24Å; W426-T463 PolarHBondContact O-OG1 3.09Å; W426-T463 VanDerWaalsContact O-OG1 3.12Å; W426-V480 HydrophobicContact CD2-CG1 4.18Å; W426-V480 HydrophobicContact CD2-CG2 4.23Å; W426-V480 HydrophobicContact CE3-CG2 4.06Å; W426-V480 HydrophobicContact CZ2-CG1 4.25Å; W426-V480 HydrophobicContact CZ3-CG2 4.39Å |
| 427 | E | 92.9 | Very high | 82.9 | Confident | 82 Ų | 82 | 53.1 Ų | 53.1 | 38% | 0.383 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 152.5 | 166.7 | -78.3 | -176.4 | -158.7 | 0 | 0 | 111.3 | R410 H411 | R410-E427 HydrophobicContact CB-CB 4.1Å; R410-E427 IonicContact CZ-OE2 3.41Å; R410-E427 PolarHBondContact N-O 3.16Å; R410-E427 VanDerWaalsContact N-O 3.14Å; R410-E427 IonicContact NE-OE2 3.67Å; R410-E427 IonicContact NH2-OE2 3.09Å; R410-E427 PolarHBondContact NH2-OE2 3.1Å; R410-E427 PolarHBondContact O-N 2.9Å; H411-E427 HydrophobicContact CB-CB 4.39Å; H411-E427 HydrophobicContact CB-CG 4.12Å; H411-E427 VanDerWaalsContact CD2-CD 3.46Å; H411-E427 IonicContact CD2-OE1 3.94Å; H411-E427 PolarHBondContact CD2-OE1 3.03Å; H411-E427 IonicContact CD2-OE2 3.41Å; H411-E427 PolarHBondContact CD2-OE2 3.03Å; H411-E427 IonicContact CG-OE1 3.25Å |
| 428 | K | 88.6 | Confident | 82.3 | Confident | 101 Ų | 101 | 47.8 Ų | 47.8 | 44% | 0.439 | 25% | 0.247 | S | C | . | . | trans | -58.5 | 156.8 | 169.1 | -56.8 | -161.4 | 178.3 | -170.5 | 0 | 110.5 | T433 Y439 T463 | K428-T433 HydrophobicContact CB-CG2 4.3Å; K428-Y439 WeakPolarHBondContact CG-OH 3.44Å; K428-T463 HydrophobicContact CD-CG2 4.49Å; K428-T463 HydrophobicContact CG-CG2 3.71Å | ||
| 429 | P | 87.3 | Confident | 81.9 | Confident | 7 Ų | 7 | 46.2 Ų | 46.2 | 5% | 0.045 | 24% | 0.235 | C | C | . | . | trans | -46 | 161.1 | 165.7 | -33.8 | 40.1 | 0 | 0 | 0 | 114.2 | P406 S407 T433 I436 A482 | P406-P429 HydrophobicContact CB-CB 4.37Å; P406-P429 HydrophobicContact CB-CG 4.23Å; S407-P429 VanDerWaalsContact O-CB 3.27Å; S407-P429 WeakPolarHBondContact O-CB 3.49Å; S407-P429 VanDerWaalsContact O-CG 3.22Å; S407-P429 WeakPolarHBondContact O-CG 3.33Å; S407-P429 WeakPolarHBondContact OG-CB 3.38Å; P429-T433 HydrophobicContact CB-CG2 3.96Å; P429-T433 WeakPolarHBondContact O-CG2 3.33Å; P429-I436 HydrophobicContact CB-CD1 4.36Å; P429-I436 VanDerWaalsContact CD-CD1 3.47Å; P429-I436 HydrophobicContact CG-CD1 3.63Å; P429-A482 HydrophobicContact CG-CB 3.79Å | ||
| 430 | E | 80.8 | Confident | 81.7 | Confident | 100 Ų | 100 | 45.8 Ų | 45.8 | 47% | 0.467 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -83.6 | -31.6 | 175.5 | -166.6 | 169.6 | 128.7 | 0 | 0 | 112.1 | S407 R410 | S407-E430 PolarHBondContact OG-N 3.28Å; R410-E430 IonicContact CZ-OE2 3.6Å; R410-E430 IonicContact NH1-OE2 3.87Å; R410-E430 PolarHBondContact NH1-OE2 3.42Å |
| 431 | Y | 68.3 | Low | 81.6 | Confident | 138 Ų | 138 | 43.6 Ų | 43.6 | 54% | 0.541 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -128.4 | 146.8 | -176.9 | -54.5 | -81.8 | 0 | 0 | 0 | 112.1 | S407 | S407-Y431 PolarHBondContact N-O 3.18Å; S407-Y431 PolarHBondContact OG-N 3.06Å |
| 432 | N | 68.8 | Low | 81.5 | Confident | 57 Ų | 57 | 44.1 Ų | 44.1 | 31% | 0.305 | 22% | 0.22 | S | C | . | . | S | Bend | trans | 56 | 48.8 | 179.1 | -45 | -41.7 | 0 | 0 | 0 | 113.2 | G404 L405 | G404-N432 PolarHBondContact O-ND2 3.19Å; L405-N432 PolarHBondContact O-ND2 3.43Å |
| 433 | T | 72.8 | Confident | 81.3 | Confident | 57 Ų | 57 | 46 Ų | 46 | 35% | 0.35 | 23% | 0.227 | S | C | . | . | trans | -86 | -26.1 | -174.3 | 48.3 | 0 | 0 | 0 | 0 | 115 | K428 P429 Q435 I436 | K428-T433 HydrophobicContact CB-CG2 4.3Å; P429-T433 HydrophobicContact CB-CG2 3.96Å; P429-T433 WeakPolarHBondContact O-CG2 3.33Å; T433-Q435 PolarHBondContact O-N 3.49Å; T433-I436 HydrophobicContact CG2-CD1 4.45Å; T433-I436 WeakPolarHBondContact O-CG1 3.05Å; T433-I436 PolarHBondContact O-N 2.72Å | ||
| 434 | D | 67.7 | Low | 81 | Confident | 126 Ų | 126 | 46.5 Ų | 46.5 | 67% | 0.674 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -23.1 | -177.3 | 58.6 | -52.3 | 0 | 0 | 0 | 112.9 | ||
| 435 | Q | 65.5 | Low | 80.5 | Confident | 40 Ų | 40 | 48.1 Ų | 48.1 | 19% | 0.187 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 11.1 | -177.9 | -66.4 | 142.8 | 26.8 | 0 | 0 | 113.3 | E403 T433 I437 S484 P485 | E403-Q435 VanDerWaalsContact CD-CD 3.5Å; E403-Q435 PolarHBondContact OE2-OE1 3.29Å; T433-Q435 PolarHBondContact O-N 3.49Å; Q435-I437 PolarHBondContact O-N 3.38Å; Q435-S484 WeakPolarHBondContact O-CA 3.39Å; Q435-S484 VanDerWaalsContact O-CB 3.31Å; Q435-S484 WeakPolarHBondContact O-CB 3.44Å; Q435-P485 VanDerWaalsContact O-CD 3.27Å; Q435-P485 WeakPolarHBondContact O-CD 3.23Å |
| 436 | I | 74.6 | Confident | 79.4 | Confident | 10 Ų | 10 | 51.2 Ų | 51.2 | 5% | 0.051 | 25% | 0.253 | C | S | . | . | trans | -69.8 | 119.4 | 178.4 | -63.3 | 172.6 | 0 | 0 | 0 | 109.4 | P406 P429 T433 A438 Y439 N460 A482 Y483 | P406-I436 HydrophobicContact CG-CG1 4.33Å; P429-I436 HydrophobicContact CB-CD1 4.36Å; P429-I436 VanDerWaalsContact CD-CD1 3.47Å; P429-I436 HydrophobicContact CG-CD1 3.63Å; T433-I436 HydrophobicContact CG2-CD1 4.45Å; T433-I436 WeakPolarHBondContact O-CG1 3.05Å; T433-I436 PolarHBondContact O-N 2.72Å; I436-A438 WeakPolarHBondContact CG2-O 3.5Å; I436-Y439 HydrophobicContact CG2-CE1 4.41Å; I436-Y439 HydrophobicContact CG2-CE2 4.05Å; I436-N460 HydrophobicContact CG2-CB 4.15Å; I436-N460 VanDerWaalsContact O-CB 3.26Å; I436-N460 WeakPolarHBondContact O-CB 3.22Å; I436-N460 PolarHBondContact O-ND2 2.73Å; I436-A482 HydrophobicContact CD1-CB 4.26Å; I436-Y483 CarbonylContact C-O 3.54Å; I436-Y483 VanDerWaalsContact CA-O 3.32Å; I436-Y483 WeakPolarHBondContact CA-O 3.15Å | ||
| 437 | I | 69.9 | Low | 77.9 | Confident | 56 Ų | 56 | 53 Ų | 53 | 29% | 0.287 | 27% | 0.269 | S | S | . | . | trans | -99.7 | -21.3 | -179.9 | 58 | 170.9 | 0 | 0 | 0 | 113.2 | Q435 Y483 P485 | Q435-I437 PolarHBondContact O-N 3.38Å; I437-Y483 WeakPolarHBondContact CG1-O 3.46Å; I437-Y483 PolarHBondContact N-O 2.89Å; I437-P485 HydrophobicContact CG2-CG 4.28Å | ||
| 438 | A | 74.4 | Confident | 76.6 | Confident | 16 Ų | 16 | 52.5 Ų | 52.5 | 13% | 0.132 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | 165 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I436 Y483 | I436-A438 WeakPolarHBondContact CG2-O 3.5Å; A438-Y483 PolarHBondContact O-N 2.96Å |
| 439 | Y | 80.8 | Confident | 75 | Confident | 1 Ų | 1 | 54 Ų | 54 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 165 | 157.5 | -65.1 | -84.4 | 0 | 0 | 0 | 109.9 | P409 W426 K428 I436 A457 V458 T463 V480 V481 A482 | P409-Y439 HydrophobicContact CG-CD1 4.26Å; P409-Y439 HydrophobicContact CG-CE1 4.21Å; W426-Y439 HydrophobicContact CZ2-CD2 4.19Å; W426-Y439 HydrophobicContact CZ2-CG 4.08Å; W426-Y439 AromaticContact NE1-CD1 3.63Å; W426-Y439 AromaticContact NE1-CD2 3.95Å; W426-Y439 AromaticContact NE1-CE1 3.62Å; W426-Y439 AromaticContact NE1-CE2 3.96Å; W426-Y439 AromaticContact NE1-CG 3.81Å; W426-Y439 AromaticContact NE1-CZ 3.82Å; K428-Y439 WeakPolarHBondContact CG-OH 3.44Å; I436-Y439 HydrophobicContact CG2-CE1 4.41Å; I436-Y439 HydrophobicContact CG2-CE2 4.05Å; Y439-A457 WeakPolarHBondContact O-CA 3.41Å; Y439-V458 PolarHBondContact N-O 2.7Å; Y439-V458 PolarHBondContact O-N 3.02Å; Y439-V458 VanDerWaalsContact O-O 3.12Å; Y439-T463 HydrophobicContact CE2-CG2 4.34Å; Y439-V480 HydrophobicContact CD1-CG1 3.99Å; Y439-V480 HydrophobicContact CG-CG1 4.42Å; Y439-V481 CarbonylContact C-O 3.55Å; Y439-V481 WeakPolarHBondContact CA-O 3.42Å; Y439-A482 HydrophobicContact CD1-CB 3.86Å; Y439-A482 HydrophobicContact CE1-CB 3.69Å |
| 440 | S | 80.8 | Confident | 73.6 | Confident | 10 Ų | 10 | 57.9 Ų | 57.9 | 7% | 0.07 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 136.4 | 158.2 | 65.7 | 0 | 0 | 0 | 0 | 110.9 | H442 F456 V480 V481 Y483 | S440-H442 PolarHBondContact OG-NE2 3.42Å; S440-F456 CarbonylContact C-O 3.58Å; S440-F456 VanDerWaalsContact CA-O 3.27Å; S440-F456 WeakPolarHBondContact CA-O 3.45Å; S440-F456 WeakPolarHBondContact CB-O 3.47Å; S440-V480 WeakPolarHBondContact O-CA 3.46Å; S440-V481 PolarHBondContact N-O 2.81Å; S440-V481 PolarHBondContact O-N 2.93Å; S440-Y483 WeakPolarHBondContact OG-CE2 3.42Å; S440-Y483 PolarHBondContact OG-OH 2.82Å |
| 441 | V | 84.8 | Confident | 73.1 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 130.6 | 173.7 | 173.6 | 0 | 0 | 0 | 0 | 107.1 | L424 W426 S455 F456 V458 F478 V480 | L424-V441 HydrophobicContact CD1-CG1 3.46Å; L424-V441 VanDerWaalsContact CD1-CG1 3.46Å; L424-V441 HydrophobicContact CD1-CG2 4.22Å; W426-V441 HydrophobicContact CH2-CG2 4.05Å; W426-V441 HydrophobicContact CZ3-CG2 4.21Å; V441-S455 WeakPolarHBondContact O-CA 3.3Å; V441-S455 WeakPolarHBondContact O-CB 3.45Å; V441-F456 HydrophobicContact CB-CD2 4.39Å; V441-F456 HydrophobicContact CB-CE1 4.03Å; V441-F456 HydrophobicContact CB-CE2 3.74Å; V441-F456 HydrophobicContact CB-CZ 3.55Å; V441-F456 HydrophobicContact CG1-CE1 3.94Å; V441-F456 HydrophobicContact CG1-CE2 4.33Å; V441-F456 HydrophobicContact CG1-CZ 3.63Å; V441-F456 HydrophobicContact CG2-CE2 4.01Å; V441-F456 HydrophobicContact CG2-CZ 4.1Å; V441-F456 PolarHBondContact N-O 3.48Å; V441-F456 PolarHBondContact O-N 3Å; V441-V458 HydrophobicContact CG2-CG2 3.72Å; V441-F478 HydrophobicContact CG1-CD1 4.43Å; V441-V480 HydrophobicContact CG2-CG2 4.17Å |
| 442 | H | 86 | Confident | 73.1 | Confident | 30 Ų | 30 | 55.5 Ų | 55.5 | 14% | 0.139 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 141.8 | 174.9 | -59 | -106.4 | 0 | 0 | 0 | 108.3 | S440 S454 S455 F478 F479 | S440-H442 PolarHBondContact OG-NE2 3.42Å; H442-S454 CarbonylContact C-O 3.54Å; H442-S454 WeakPolarHBondContact CA-O 3.38Å; H442-S455 WeakPolarHBondContact ND1-CB 3.15Å; H442-F478 VanDerWaalsContact O-CA 3.3Å; H442-F478 WeakPolarHBondContact O-CA 3.23Å; H442-F479 HydrophobicContact CB-CD1 3.87Å; H442-F479 HydrophobicContact CB-CD2 3.94Å; H442-F479 HydrophobicContact CB-CE1 3.43Å; H442-F479 VanDerWaalsContact CB-CE1 3.43Å; H442-F479 HydrophobicContact CB-CE2 3.52Å; H442-F479 HydrophobicContact CB-CG 4.11Å; H442-F479 HydrophobicContact CB-CZ 3.25Å; H442-F479 AromaticContact CD2-CD2 3.94Å; H442-F479 AromaticContact CD2-CE2 3.46Å; H442-F479 VanDerWaalsContact CD2-CE2 3.46Å; H442-F479 WeakPolarHBondContact CD2-CE2 3.41Å; H442-F479 AromaticContact CG-CE2 3.36Å; H442-F479 AromaticContact CG-CZ 3.4Å; H442-F479 VanDerWaalsContact CG-CZ 3.4Å; H442-F479 PolarHBondContact N-O 2.99Å; H442-F479 AromaticContact ND1-CE2 3.98Å; H442-F479 AromaticContact ND1-CZ 3.82Å; H442-F479 PolarHBondContact O-N 2.82Å |
| 443 | Y | 86.6 | Confident | 73.2 | Confident | 38 Ų | 38 | 57.2 Ų | 57.2 | 15% | 0.149 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 136.3 | 178.2 | 68 | -89 | 0 | 0 | 0 | 111.9 | S454 F456 V467 L470 Y476 T477 F478 | Y443-S454 WeakPolarHBondContact CD1-O 2.89Å; Y443-S454 VanDerWaalsContact CZ-CB 3.42Å; Y443-S454 PolarHBondContact N-O 2.98Å; Y443-S454 PolarHBondContact O-N 2.92Å; Y443-F456 HydrophobicContact CD1-CD1 4.41Å; Y443-F456 AromaticContact CD1-CE1 3.93Å; Y443-F456 HydrophobicContact CD1-CE1 3.93Å; Y443-F456 AromaticContact CE1-CD1 3.93Å; Y443-F456 HydrophobicContact CE1-CD1 3.93Å; Y443-F456 AromaticContact CE1-CE1 3.69Å; Y443-F456 HydrophobicContact CE1-CE1 3.69Å; Y443-V467 HydrophobicContact CD1-CG1 4.47Å; Y443-V467 HydrophobicContact CE1-CG1 4.33Å; Y443-L470 HydrophobicContact CD2-CD2 4.14Å; Y443-L470 HydrophobicContact CE2-CD2 3.92Å; Y443-Y476 AromaticContact CD2-CD1 3.71Å; Y443-Y476 HydrophobicContact CD2-CD1 3.71Å; Y443-Y476 AromaticContact CD2-CE1 3.76Å; Y443-Y476 HydrophobicContact CD2-CE1 3.76Å; Y443-Y476 HydrophobicContact CE2-CD1 4.4Å; Y443-Y476 HydrophobicContact CE2-CE1 4Å; Y443-T477 VanDerWaalsContact CA-O 3.29Å; Y443-T477 WeakPolarHBondContact CA-O 3.5Å; Y443-F478 HydrophobicContact CG-CD1 4.36Å; Y443-F478 AromaticContact CG-CE1 3.99Å; Y443-F478 HydrophobicContact CG-CE1 3.99Å |
| 444 | Q | 87.5 | Confident | 73.3 | Confident | 71 Ų | 71 | 56.8 Ų | 56.8 | 33% | 0.332 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 147.2 | 179.7 | 61.6 | 178.3 | -6.5 | 0 | 0 | 111.8 | I451 Q452 D453 Y476 T477 | Q444-I451 HydrophobicContact CB-CG2 4.16Å; Q444-Q452 VanDerWaalsContact CA-O 3.25Å; Q444-Q452 WeakPolarHBondContact CA-O 3.22Å; Q444-D453 HydrophobicContact CB-CB 4.4Å; Q444-Y476 WeakPolarHBondContact O-CA 3.44Å; Q444-T477 PolarHBondContact N-O 3.47Å; Q444-T477 PolarHBondContact O-N 2.86Å |
| 445 | F | 82.6 | Confident | 73.7 | Confident | 33 Ų | 33 | 54 Ų | 54 | 15% | 0.145 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 157.4 | 171.6 | 73.1 | -74.3 | 0 | 0 | 0 | 111.4 | A447 Q452 L471 T474 A475 Y476 | F445-A447 HydrophobicContact CD2-CB 4.43Å; F445-A447 HydrophobicContact CE2-CB 3.92Å; F445-Q452 HydrophobicContact CD1-CB 3.84Å; F445-Q452 HydrophobicContact CE1-CB 3.4Å; F445-Q452 HydrophobicContact CE1-CG 4.27Å; F445-Q452 HydrophobicContact CE2-CB 4.44Å; F445-Q452 HydrophobicContact CZ-CB 3.74Å; F445-Q452 HydrophobicContact CZ-CG 4.11Å; F445-Q452 PolarHBondContact N-O 3.27Å; F445-Q452 PolarHBondContact O-N 2.9Å; F445-L471 HydrophobicContact CD2-CD1 4.47Å; F445-L471 HydrophobicContact CE2-CD1 3.62Å; F445-L471 HydrophobicContact CZ-CD1 3.89Å; F445-T474 HydrophobicContact CB-CG2 3.97Å; F445-T474 HydrophobicContact CD2-CG2 3.64Å; F445-T474 HydrophobicContact CE2-CG2 4.47Å; F445-T474 HydrophobicContact CG-CG2 4.08Å; F445-A475 WeakPolarHBondContact CB-O 3.28Å; F445-Y476 HydrophobicContact CB-CD1 3.7Å; F445-Y476 HydrophobicContact CB-CE1 3.68Å; F445-Y476 HydrophobicContact CB-CG 4.2Å; F445-Y476 HydrophobicContact CD1-CD1 4.05Å; F445-Y476 AromaticContact CD1-CE1 3.29Å; F445-Y476 HydrophobicContact CD1-CE1 3.29Å; F445-Y476 AromaticContact CD1-CZ 3.88Å; F445-Y476 HydrophobicContact CE1-CE1 4.03Å; F445-Y476 HydrophobicContact CG-CD1 4.17Å; F445-Y476 AromaticContact CG-CE1 3.61Å; F445-Y476 HydrophobicContact CG-CE1 3.61Å; F445-Y476 AromaticContact CG-CZ 3.93Å |
| 446 | T | 72.5 | Confident | 73.9 | Confident | 96 Ų | 96 | 53.7 Ų | 53.7 | 59% | 0.589 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 114.5 | -179.1 | -51.2 | 0 | 0 | 0 | 0 | 110.6 | G448 | T446-G448 WeakPolarHBondContact CG2-O 3.3Å |
| 447 | A | 63.3 | Low | 73.6 | Confident | 43 Ų | 43 | 55 Ų | 55 | 36% | 0.355 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 78.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | F445 S449 D450 Q452 | F445-A447 HydrophobicContact CD2-CB 4.43Å; F445-A447 HydrophobicContact CE2-CB 3.92Å; A447-S449 PolarHBondContact O-N 3.09Å; A447-D450 PolarHBondContact N-O 2.93Å; A447-Q452 HydrophobicContact CB-CG 4.27Å |
| 448 | G | 64.4 | Low | 73.6 | Confident | 73 Ų | 73 | 52.6 Ų | 52.6 | 75% | 0.753 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | -107.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | T446 | T446-G448 WeakPolarHBondContact CG2-O 3.3Š|
| 449 | S | 54.8 | Low | 73.4 | Confident | 131 Ų | 131 | 54.7 Ų | 54.7 | 92% | 0.916 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | 1.4 | 177.5 | 65.4 | 0 | 0 | 0 | 0 | 114.1 | A447 | A447-S449 PolarHBondContact O-N 3.09Š|
| 450 | D | 58.5 | Low | 73 | Confident | 89 Ų | 89 | 57.8 Ų | 57.8 | 48% | 0.476 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 140.2 | -173.4 | -168.7 | 37.9 | 0 | 0 | 0 | 110.8 | A447 Q452 | A447-D450 PolarHBondContact N-O 2.93Å; D450-Q452 PolarHBondContact OD2-NE2 3.17Å |
| 451 | I | 69.8 | Low | 72.6 | Confident | 102 Ų | 102 | 63.2 Ų | 63.2 | 52% | 0.523 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 117.5 | 178.4 | -60.6 | 174.6 | 0 | 0 | 0 | 107.6 | Q444 | Q444-I451 HydrophobicContact CB-CG2 4.16Å |
| 452 | Q | 69.7 | Low | 72.2 | Confident | 86 Ų | 86 | 65.7 Ų | 65.7 | 40% | 0.402 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 112.2 | 175.4 | -69 | -69.8 | -52.6 | 0 | 0 | 108.1 | Q444 F445 A447 D450 | Q444-Q452 VanDerWaalsContact CA-O 3.25Å; Q444-Q452 WeakPolarHBondContact CA-O 3.22Å; F445-Q452 HydrophobicContact CD1-CB 3.84Å; F445-Q452 HydrophobicContact CE1-CB 3.4Å; F445-Q452 HydrophobicContact CE1-CG 4.27Å; F445-Q452 HydrophobicContact CE2-CB 4.44Å; F445-Q452 HydrophobicContact CZ-CB 3.74Å; F445-Q452 HydrophobicContact CZ-CG 4.11Å; F445-Q452 PolarHBondContact N-O 3.27Å; F445-Q452 PolarHBondContact O-N 2.9Å; A447-Q452 HydrophobicContact CB-CG 4.27Å; D450-Q452 PolarHBondContact OD2-NE2 3.17Å |
| 453 | D | 70.8 | Confident | 72.2 | Confident | 93 Ų | 93 | 66 Ų | 66 | 50% | 0.497 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 148.5 | 179 | -176.1 | 27 | 0 | 0 | 0 | 110.5 | Q444 | Q444-D453 HydrophobicContact CB-CB 4.4Å |
| 454 | S | 74 | Confident | 72.4 | Confident | 49 Ų | 49 | 69.3 Ų | 69.3 | 34% | 0.343 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 142 | -175.7 | -78.4 | 0 | 0 | 0 | 0 | 111.3 | H442 Y443 | H442-S454 CarbonylContact C-O 3.54Å; H442-S454 WeakPolarHBondContact CA-O 3.38Å; Y443-S454 WeakPolarHBondContact CD1-O 2.89Å; Y443-S454 VanDerWaalsContact CZ-CB 3.42Å; Y443-S454 PolarHBondContact N-O 2.98Å; Y443-S454 PolarHBondContact O-N 2.92Å |
| 455 | S | 75.9 | Confident | 72.3 | Confident | 67 Ų | 67 | 70.3 Ų | 70.3 | 47% | 0.469 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 154.4 | 180 | 60.4 | 0 | 0 | 0 | 0 | 113.3 | V441 H442 | V441-S455 WeakPolarHBondContact O-CA 3.3Å; V441-S455 WeakPolarHBondContact O-CB 3.45Å; H442-S455 WeakPolarHBondContact ND1-CB 3.15Å |
| 456 | F | 70.4 | Confident | 72.6 | Confident | 33 Ų | 33 | 71.5 Ų | 71.5 | 15% | 0.145 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 152.4 | 177.9 | 58 | -90.7 | 0 | 0 | 0 | 111.2 | S440 V441 Y443 V458 Y465 V467 | S440-F456 CarbonylContact C-O 3.58Å; S440-F456 VanDerWaalsContact CA-O 3.27Å; S440-F456 WeakPolarHBondContact CA-O 3.45Å; S440-F456 WeakPolarHBondContact CB-O 3.47Å; V441-F456 HydrophobicContact CB-CD2 4.39Å; V441-F456 HydrophobicContact CB-CE1 4.03Å; V441-F456 HydrophobicContact CB-CE2 3.74Å; V441-F456 HydrophobicContact CB-CZ 3.55Å; V441-F456 HydrophobicContact CG1-CE1 3.94Å; V441-F456 HydrophobicContact CG1-CE2 4.33Å; V441-F456 HydrophobicContact CG1-CZ 3.63Å; V441-F456 HydrophobicContact CG2-CE2 4.01Å; V441-F456 HydrophobicContact CG2-CZ 4.1Å; V441-F456 PolarHBondContact N-O 3.48Å; V441-F456 PolarHBondContact O-N 3Å; Y443-F456 HydrophobicContact CD1-CD1 4.41Å; Y443-F456 AromaticContact CD1-CE1 3.93Å; Y443-F456 HydrophobicContact CD1-CE1 3.93Å; Y443-F456 AromaticContact CE1-CD1 3.93Å; Y443-F456 HydrophobicContact CE1-CD1 3.93Å; Y443-F456 AromaticContact CE1-CE1 3.69Å; Y443-F456 HydrophobicContact CE1-CE1 3.69Å; F456-V458 HydrophobicContact CD2-CG2 3.85Å; F456-V458 HydrophobicContact CE2-CG2 3.58Å; F456-Y465 HydrophobicContact CD2-CE1 4.11Å; F456-Y465 AromaticContact CE2-CD1 3.43Å; F456-Y465 HydrophobicContact CE2-CD1 3.43Å; F456-Y465 VanDerWaalsContact CE2-CD1 3.43Å; F456-Y465 HydrophobicContact CE2-CD2 4.33Å; F456-Y465 AromaticContact CE2-CE1 3.17Å; F456-Y465 HydrophobicContact CE2-CE1 3.17Å; F456-Y465 HydrophobicContact CE2-CE2 4.1Å; F456-Y465 HydrophobicContact CE2-CG 4.01Å; F456-Y465 AromaticContact CE2-CZ 3.53Å; F456-Y465 AromaticContact CZ-CD1 3.58Å; F456-Y465 HydrophobicContact CZ-CD1 3.58Å; F456-Y465 AromaticContact CZ-CE1 3.44Å; F456-Y465 HydrophobicContact CZ-CE1 3.44Å; F456-Y465 VanDerWaalsContact CZ-CE1 3.44Å; F456-Y465 HydrophobicContact CZ-CG 4.49Å; F456-V467 HydrophobicContact CE1-CG1 4.17Å; F456-V467 HydrophobicContact CZ-CG1 4.37Å; F456-V467 HydrophobicContact CZ-CG2 4.18Å |
| 457 | A | 67.6 | Low | 73.2 | Confident | 37 Ų | 37 | 67 Ų | 67 | 31% | 0.306 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 143.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y439 | Y439-A457 WeakPolarHBondContact O-CA 3.41Å |
| 458 | V | 70.9 | Confident | 74.3 | Confident | 7 Ų | 7 | 71.1 Ų | 71.1 | 4% | 0.042 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 145.9 | 174.8 | 179.9 | 0 | 0 | 0 | 0 | 108.7 | W426 Y439 V441 F456 T462 Y465 | W426-V458 HydrophobicContact CH2-CB 4.48Å; W426-V458 HydrophobicContact CH2-CG1 4.04Å; W426-V458 HydrophobicContact CZ2-CG1 4.2Å; Y439-V458 PolarHBondContact N-O 2.7Å; Y439-V458 PolarHBondContact O-N 3.02Å; Y439-V458 VanDerWaalsContact O-O 3.12Å; V441-V458 HydrophobicContact CG2-CG2 3.72Å; F456-V458 HydrophobicContact CD2-CG2 3.85Å; F456-V458 HydrophobicContact CE2-CG2 3.58Å; V458-T462 VanDerWaalsContact CG1-OG1 3.31Å; V458-T462 WeakPolarHBondContact CG1-OG1 3.36Å; V458-Y465 HydrophobicContact CB-CD2 4.36Å; V458-Y465 HydrophobicContact CG1-CD2 3.82Å; V458-Y465 HydrophobicContact CG2-CD2 3.63Å; V458-Y465 HydrophobicContact CG2-CE2 4.02Å; V458-Y465 HydrophobicContact CG2-CG 3.94Å |
| 459 | S | 69.9 | Low | 75.2 | Confident | 60 Ų | 60 | 75.6 Ų | 75.6 | 42% | 0.42 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 150.8 | -176.7 | -172.3 | 0 | 0 | 0 | 0 | 112.2 | D461 T462 | S459-D461 VanDerWaalsContact C-N 3.34Å; S459-D461 WeakPolarHBondContact CB-OD1 3.43Å; S459-D461 PolarHBondContact O-N 2.83Å; S459-D461 PolarHBondContact OG-OD1 3.34Å; S459-T462 PolarHBondContact O-N 2.87Å; S459-T462 PolarHBondContact O-OG1 3.5Å |
| 460 | N | 72.7 | Confident | 76.8 | Confident | 66 Ų | 66 | 69.5 Ų | 69.5 | 35% | 0.353 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -17 | -174.1 | 64.4 | -26.8 | 0 | 0 | 0 | 114.9 | I436 T462 | I436-N460 HydrophobicContact CG2-CB 4.15Å; I436-N460 VanDerWaalsContact O-CB 3.26Å; I436-N460 WeakPolarHBondContact O-CB 3.22Å; I436-N460 PolarHBondContact O-ND2 2.73Å; N460-T462 VanDerWaalsContact C-N 3.26Å |
| 461 | D | 72.8 | Confident | 78.1 | Confident | 123 Ų | 123 | 68.1 Ų | 68.1 | 66% | 0.658 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -15.2 | 173 | 61.8 | -23.7 | 0 | 0 | 0 | 113 | S459 | S459-D461 VanDerWaalsContact C-N 3.34Å; S459-D461 WeakPolarHBondContact CB-OD1 3.43Å; S459-D461 PolarHBondContact O-N 2.83Å; S459-D461 PolarHBondContact OG-OD1 3.34Å |
| 462 | T | 75.3 | Confident | 78.9 | Confident | 52 Ų | 52 | 63.8 Ų | 63.8 | 32% | 0.319 | 34% | 0.338 | S | S | . | . | trans | -112.2 | 146.7 | 178.7 | 58.9 | 0 | 0 | 0 | 0 | 112.7 | V458 S459 N460 | V458-T462 VanDerWaalsContact CG1-OG1 3.31Å; V458-T462 WeakPolarHBondContact CG1-OG1 3.36Å; S459-T462 PolarHBondContact O-N 2.87Å; S459-T462 PolarHBondContact O-OG1 3.5Å; N460-T462 VanDerWaalsContact C-N 3.26Å | ||
| 463 | T | 87.3 | Confident | 79.8 | Confident | 38 Ų | 38 | 63.3 Ų | 63.3 | 23% | 0.233 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -125.4 | 20.9 | 166.5 | 63.9 | 0 | 0 | 0 | 0 | 112.3 | W426 K428 Y439 | W426-T463 PolarHBondContact N-O 2.9Å; W426-T463 WeakPolarHBondContact O-CB 3.24Å; W426-T463 PolarHBondContact O-OG1 3.09Å; W426-T463 VanDerWaalsContact O-OG1 3.12Å; K428-T463 HydrophobicContact CD-CG2 4.49Å; K428-T463 HydrophobicContact CG-CG2 3.71Å; Y439-T463 HydrophobicContact CE2-CG2 4.34Å |
| 464 | E | 89 | Confident | 80.6 | Confident | 107 Ų | 107 | 60.3 Ų | 60.3 | 50% | 0.5 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 145.9 | 175.1 | -52.8 | -159.8 | 133.6 | 0 | 0 | 109.4 | L424 S425 | L424-E464 CarbonylContact O-C 3.59Å; L424-E464 VanDerWaalsContact O-CA 3.23Å; L424-E464 WeakPolarHBondContact O-CA 3.44Å; S425-E464 VanDerWaalsContact CB-OE1 3.26Å; S425-E464 WeakPolarHBondContact CB-OE1 3.48Å; S425-E464 WeakPolarHBondContact OG-CG 3.47Å; S425-E464 PolarHBondContact OG-OE1 2.84Å |
| 465 | Y | 86.6 | Confident | 81.3 | Confident | 92 Ų | 92 | 60.5 Ų | 60.5 | 36% | 0.361 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 133.6 | 178.6 | -164.8 | -87.9 | 0 | 0 | 0 | 112.9 | L424 F456 V458 V467 | L424-Y465 PolarHBondContact N-O 3.26Å; L424-Y465 PolarHBondContact O-N 3.05Å; F456-Y465 HydrophobicContact CD2-CE1 4.11Å; F456-Y465 AromaticContact CE2-CD1 3.43Å; F456-Y465 HydrophobicContact CE2-CD1 3.43Å; F456-Y465 VanDerWaalsContact CE2-CD1 3.43Å; F456-Y465 HydrophobicContact CE2-CD2 4.33Å; F456-Y465 AromaticContact CE2-CE1 3.17Å; F456-Y465 HydrophobicContact CE2-CE1 3.17Å; F456-Y465 HydrophobicContact CE2-CE2 4.1Å; F456-Y465 HydrophobicContact CE2-CG 4.01Å; F456-Y465 AromaticContact CE2-CZ 3.53Å; F456-Y465 AromaticContact CZ-CD1 3.58Å; F456-Y465 HydrophobicContact CZ-CD1 3.58Å; F456-Y465 AromaticContact CZ-CE1 3.44Å; F456-Y465 HydrophobicContact CZ-CE1 3.44Å; F456-Y465 VanDerWaalsContact CZ-CE1 3.44Å; F456-Y465 HydrophobicContact CZ-CG 4.49Å; V458-Y465 HydrophobicContact CB-CD2 4.36Å; V458-Y465 HydrophobicContact CG1-CD2 3.82Å; V458-Y465 HydrophobicContact CG2-CD2 3.63Å; V458-Y465 HydrophobicContact CG2-CE2 4.02Å; V458-Y465 HydrophobicContact CG2-CG 3.94Å; Y465-V467 HydrophobicContact CD1-CG2 4.31Å; Y465-V467 PolarHBondContact O-N 3.12Å |
| 466 | L | 88.1 | Confident | 82 | Confident | 57 Ų | 57 | 57.5 Ų | 57.5 | 30% | 0.298 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 100 | 173.1 | -176.4 | 68.7 | 0 | 0 | 0 | 110.1 | H417 A422 L423 | H417-L466 HydrophobicContact CB-CD1 3.93Å; A422-L466 CarbonylContact O-C 3.28Å; L423-L466 HydrophobicContact CB-CD1 4.23Å; L423-L466 HydrophobicContact CD1-CB 4.41Å |
| 467 | V | 86.4 | Confident | 83 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 138.8 | 172 | -164.2 | 0 | 0 | 0 | 0 | 109 | T421 A422 L424 Y443 F456 Y465 L470 F478 | T421-V467 CarbonylContact C-O 3.55Å; T421-V467 WeakPolarHBondContact CA-O 3.13Å; T421-V467 VanDerWaalsContact CB-O 3.29Å; T421-V467 WeakPolarHBondContact CB-O 3.28Å; A422-V467 PolarHBondContact N-O 2.88Å; A422-V467 PolarHBondContact O-N 2.89Å; L424-V467 HydrophobicContact CD1-CG2 3.64Å; L424-V467 HydrophobicContact CG-CG2 3.85Å; Y443-V467 HydrophobicContact CD1-CG1 4.47Å; Y443-V467 HydrophobicContact CE1-CG1 4.33Å; F456-V467 HydrophobicContact CE1-CG1 4.17Å; F456-V467 HydrophobicContact CZ-CG1 4.37Å; F456-V467 HydrophobicContact CZ-CG2 4.18Å; Y465-V467 HydrophobicContact CD1-CG2 4.31Å; Y465-V467 PolarHBondContact O-N 3.12Å; V467-L470 HydrophobicContact CB-CD1 4.22Å; V467-L470 HydrophobicContact CG1-CD1 4.15Å; V467-L470 HydrophobicContact CG1-CD2 3.86Å; V467-L470 HydrophobicContact CG1-CG 4.1Å; V467-F478 HydrophobicContact CB-CE1 4.46Å; V467-F478 HydrophobicContact CG1-CE1 4.28Å; V467-F478 HydrophobicContact CG2-CE1 3.97Å |
| 468 | K | 84.6 | Confident | 84.2 | Confident | 130 Ų | 130 | 55.5 Ų | 55.5 | 57% | 0.565 | 29% | 0.291 | S | S | * | . | trans | -128.7 | 170.5 | -177.1 | -57.5 | -178.4 | -175.6 | 175.9 | 0 | 110.9 | T420 T421 L470 | T420-K468 CarbonylContact O-C 3.48Å; T421-K468 HydrophobicContact CG2-CB 4.28Å; T421-K468 HydrophobicContact CG2-CG 4Å; K468-L470 PolarHBondContact O-N 2.91Å | ||
| 469 | E | 85.1 | Confident | 85.2 | Confident | 166 Ų | 166 | 57.6 Ų | 57.6 | 78% | 0.776 | 30% | 0.299 | S | S | * | . | S | Bend | trans | 63.3 | 22.5 | 177.9 | -53.9 | -177.1 | 176 | 0 | 0 | 113.7 | T420 | T420-E469 PolarHBondContact O-N 3.22Å; T420-E469 VanDerWaalsContact O-N 3.16Å |
| 470 | L | 87.2 | Confident | 86.2 | Confident | 3 Ų | 3 | 54.7 Ų | 54.7 | 2% | 0.016 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 151.4 | 172.7 | -58.7 | 177.6 | 0 | 0 | 0 | 110.6 | T420 A422 Y443 V467 K468 Y476 F478 M499 | T420-L470 WeakPolarHBondContact CA-O 3.44Å; T420-L470 WeakPolarHBondContact CB-O 3.45Å; T420-L470 WeakPolarHBondContact CG2-O 3.18Å; T420-L470 PolarHBondContact O-N 3.25Å; A422-L470 HydrophobicContact CB-CD1 3.61Å; Y443-L470 HydrophobicContact CD2-CD2 4.14Å; Y443-L470 HydrophobicContact CE2-CD2 3.92Å; V467-L470 HydrophobicContact CB-CD1 4.22Å; V467-L470 HydrophobicContact CG1-CD1 4.15Å; V467-L470 HydrophobicContact CG1-CD2 3.86Å; V467-L470 HydrophobicContact CG1-CG 4.1Å; K468-L470 PolarHBondContact O-N 2.91Å; L470-Y476 HydrophobicContact CB-CE2 3.91Å; L470-Y476 HydrophobicContact CD2-CD1 4.05Å; L470-Y476 HydrophobicContact CD2-CD2 4.36Å; L470-Y476 HydrophobicContact CD2-CE1 3.73Å; L470-Y476 HydrophobicContact CD2-CE2 4.08Å; L470-Y476 HydrophobicContact CD2-CG 4.35Å; L470-Y476 HydrophobicContact CG-CE2 4.47Å; L470-F478 HydrophobicContact CD1-CZ 4.05Å; L470-M499 HydrophobicContact CB-CE 4.41Å; L470-M499 HydrophobicContact CB-CG 4.31Å; L470-M499 HydrophobicContact CB-SD 4.5Å; L470-M499 HydrophobicContact CD1-CE 3.84Å; L470-M499 HydrophobicContact CD1-CG 4.49Å; L470-M499 HydrophobicContact CD1-SD 3.68Å |
| 471 | L | 86.3 | Confident | 86.7 | Confident | 60 Ų | 60 | 52.1 Ų | 52.1 | 31% | 0.314 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -78.5 | 132.9 | 175.1 | -64.1 | 178.9 | 0 | 0 | 0 | 110.7 | F445 T474 Y476 M499 | F445-L471 HydrophobicContact CD2-CD1 4.47Å; F445-L471 HydrophobicContact CE2-CD1 3.62Å; F445-L471 HydrophobicContact CZ-CD1 3.89Å; L471-T474 HydrophobicContact CB-CG2 4.37Å; L471-T474 WeakPolarHBondContact CB-OG1 3.39Å; L471-T474 WeakPolarHBondContact O-CB 3.32Å; L471-T474 PolarHBondContact O-OG1 2.93Å; L471-Y476 PolarHBondContact N-OH 2.83Å; L471-M499 WeakPolarHBondContact O-CB 3.36Å; L471-M499 WeakPolarHBondContact O-CG 3.23Å |
| 472 | P | 87.1 | Confident | 87.2 | Confident | 11 Ų | 11 | 46.2 Ų | 46.2 | 7% | 0.071 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 151.1 | 172.4 | -26.6 | 36.9 | 0 | 0 | 0 | 113.1 | S419 T420 T474 D502 R533 | S419-P472 WeakPolarHBondContact O-CA 3.08Å; T420-P472 HydrophobicContact CG2-CG 3.91Å; P472-T474 PolarHBondContact O-N 2.82Å; P472-T474 VanDerWaalsContact O-N 3.12Å; P472-T474 PolarHBondContact O-OG1 2.97Å; P472-T474 VanDerWaalsContact O-OG1 3.04Å; P472-D502 HydrophobicContact CB-CB 3.84Å; P472-D502 HydrophobicContact CG-CB 3.88Å; P472-R533 HydrophobicContact CB-CB 3.88Å; P472-R533 HydrophobicContact CB-CG 4.46Å; P472-R533 HydrophobicContact CG-CB 4.11Å; P472-R533 HydrophobicContact CG-CG 4.23Å |
| 473 | H | 87.3 | Confident | 87.2 | Confident | 77 Ų | 77 | 47.5 Ų | 47.5 | 36% | 0.356 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.4 | 42.4 | 179 | -169.3 | 47.6 | 0 | 0 | 0 | 113.1 | E498 M499 L500 E501 | H473-E498 IonicContact CE1-OE1 3.94Å; H473-E498 PolarHBondContact CE1-OE1 2.76Å; H473-E498 IonicContact ND1-OE1 2.81Å; H473-E498 PolarHBondContact ND1-OE1 2.87Å; H473-M499 VanDerWaalsContact CA-O 3.3Å; H473-M499 WeakPolarHBondContact CA-O 3.26Å; H473-M499 PolarHBondContact N-O 3.11Å; H473-L500 PolarHBondContact N-O 3.24Å; H473-L500 VanDerWaalsContact N-O 3.09Å; H473-E501 HydrophobicContact CB-CG 4.48Å |
| 474 | T | 87.4 | Confident | 86.5 | Confident | 29 Ų | 29 | 46 Ų | 46 | 18% | 0.178 | 22% | 0.224 | C | C | . | . | trans | -126 | 135.7 | -179.6 | -59.8 | 0 | 0 | 0 | 0 | 108.7 | F445 L471 P472 Y476 M499 | F445-T474 HydrophobicContact CB-CG2 3.97Å; F445-T474 HydrophobicContact CD2-CG2 3.64Å; F445-T474 HydrophobicContact CE2-CG2 4.47Å; F445-T474 HydrophobicContact CG-CG2 4.08Å; L471-T474 HydrophobicContact CB-CG2 4.37Å; L471-T474 WeakPolarHBondContact CB-OG1 3.39Å; L471-T474 WeakPolarHBondContact O-CB 3.32Å; L471-T474 PolarHBondContact O-OG1 2.93Å; P472-T474 PolarHBondContact O-N 2.82Å; P472-T474 VanDerWaalsContact O-N 3.12Å; P472-T474 PolarHBondContact O-OG1 2.97Å; P472-T474 VanDerWaalsContact O-OG1 3.04Å; T474-Y476 HydrophobicContact CG2-CD2 4.13Å; T474-Y476 HydrophobicContact CG2-CE2 3.65Å; T474-M499 WeakPolarHBondContact O-CG 3.4Å; T474-M499 PolarHBondContact O-N 2.82Å | ||
| 475 | A | 89.6 | Confident | 85.1 | Confident | 54 Ų | 54 | 44 Ų | 44 | 45% | 0.446 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 124.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | F445 I497 | F445-A475 WeakPolarHBondContact CB-O 3.28Å; A475-I497 CarbonylContact C-O 3.51Å; A475-I497 WeakPolarHBondContact CA-O 3.49Å |
| 476 | Y | 90.6 | Very high | 83.5 | Confident | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 137 | 178.6 | -77.6 | -88.7 | 0 | 0 | 0 | 110.5 | Y443 Q444 F445 L470 L471 T474 F478 T496 I497 M499 | Y443-Y476 AromaticContact CD2-CD1 3.71Å; Y443-Y476 HydrophobicContact CD2-CD1 3.71Å; Y443-Y476 AromaticContact CD2-CE1 3.76Å; Y443-Y476 HydrophobicContact CD2-CE1 3.76Å; Y443-Y476 HydrophobicContact CE2-CD1 4.4Å; Y443-Y476 HydrophobicContact CE2-CE1 4Å; Q444-Y476 WeakPolarHBondContact O-CA 3.44Å; F445-Y476 HydrophobicContact CB-CD1 3.7Å; F445-Y476 HydrophobicContact CB-CE1 3.68Å; F445-Y476 HydrophobicContact CB-CG 4.2Å; F445-Y476 HydrophobicContact CD1-CD1 4.05Å; F445-Y476 AromaticContact CD1-CE1 3.29Å; F445-Y476 HydrophobicContact CD1-CE1 3.29Å; F445-Y476 AromaticContact CD1-CZ 3.88Å; F445-Y476 HydrophobicContact CE1-CE1 4.03Å; F445-Y476 HydrophobicContact CG-CD1 4.17Å; F445-Y476 AromaticContact CG-CE1 3.61Å; F445-Y476 HydrophobicContact CG-CE1 3.61Å; F445-Y476 AromaticContact CG-CZ 3.93Å; L470-Y476 HydrophobicContact CB-CE2 3.91Å; L470-Y476 HydrophobicContact CD2-CD1 4.05Å; L470-Y476 HydrophobicContact CD2-CD2 4.36Å; L470-Y476 HydrophobicContact CD2-CE1 3.73Å; L470-Y476 HydrophobicContact CD2-CE2 4.08Å; L470-Y476 HydrophobicContact CD2-CG 4.35Å; L470-Y476 HydrophobicContact CG-CE2 4.47Å; L471-Y476 PolarHBondContact N-OH 2.83Å; T474-Y476 HydrophobicContact CG2-CD2 4.13Å; T474-Y476 HydrophobicContact CG2-CE2 3.65Å; Y476-F478 HydrophobicContact CG-CE2 4.43Å; Y476-F478 HydrophobicContact CG-CZ 4.22Å; Y476-T496 CarbonylContact O-C 3.51Å; Y476-T496 VanDerWaalsContact O-CA 3.29Å; Y476-T496 WeakPolarHBondContact O-CA 3.2Å; Y476-I497 PolarHBondContact N-O 3.45Å; Y476-I497 PolarHBondContact O-N 3.02Å; Y476-M499 HydrophobicContact CD2-CG 3.75Å; Y476-M499 HydrophobicContact CD2-SD 4.39Å; Y476-M499 HydrophobicContact CE2-CG 3.97Å |
| 477 | T | 92.1 | Very high | 81.8 | Confident | 28 Ų | 28 | 43.3 Ų | 43.3 | 17% | 0.172 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 123.4 | 172.3 | -57.2 | 0 | 0 | 0 | 0 | 109.8 | Y443 Q444 P494 I495 T496 | Y443-T477 VanDerWaalsContact CA-O 3.29Å; Y443-T477 WeakPolarHBondContact CA-O 3.5Å; Q444-T477 PolarHBondContact N-O 3.47Å; Q444-T477 PolarHBondContact O-N 2.86Å; T477-P494 HydrophobicContact CG2-CB 3.88Å; T477-I495 CarbonylContact C-O 3.57Å; T477-I495 WeakPolarHBondContact CA-O 3.37Å; T477-T496 PolarHBondContact OG1-OG1 3.21Å |
| 478 | F | 92.4 | Very high | 80.8 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 146.3 | -175.3 | -62.7 | -89.2 | 0 | 0 | 0 | 111.9 | A422 L424 V441 H442 Y443 V467 L470 Y476 P494 I495 I497 | A422-F478 HydrophobicContact CB-CZ 4.32Å; L424-F478 HydrophobicContact CD1-CB 4.44Å; L424-F478 HydrophobicContact CD1-CD1 3.78Å; L424-F478 HydrophobicContact CD1-CE1 4.39Å; L424-F478 HydrophobicContact CD1-CG 4.28Å; L424-F478 HydrophobicContact CD2-CB 4.23Å; L424-F478 HydrophobicContact CD2-CD1 4.07Å; L424-F478 HydrophobicContact CD2-CD2 4.23Å; L424-F478 HydrophobicContact CD2-CG 3.92Å; L424-F478 HydrophobicContact CG-CD1 4.45Å; V441-F478 HydrophobicContact CG1-CD1 4.43Å; H442-F478 VanDerWaalsContact O-CA 3.3Å; H442-F478 WeakPolarHBondContact O-CA 3.23Å; Y443-F478 HydrophobicContact CG-CD1 4.36Å; Y443-F478 AromaticContact CG-CE1 3.99Å; Y443-F478 HydrophobicContact CG-CE1 3.99Å; V467-F478 HydrophobicContact CB-CE1 4.46Å; V467-F478 HydrophobicContact CG1-CE1 4.28Å; V467-F478 HydrophobicContact CG2-CE1 3.97Å; L470-F478 HydrophobicContact CD1-CZ 4.05Å; Y476-F478 HydrophobicContact CG-CE2 4.43Å; Y476-F478 HydrophobicContact CG-CZ 4.22Å; F478-P494 CarbonylContact O-C 3.52Å; F478-P494 VanDerWaalsContact O-CA 3.22Å; F478-P494 WeakPolarHBondContact O-CA 3.15Å; F478-I495 HydrophobicContact CB-CG2 4.07Å; F478-I495 PolarHBondContact N-O 3.16Å; F478-I495 PolarHBondContact O-N 2.68Å; F478-I497 HydrophobicContact CD2-CG1 4.14Å; F478-I497 HydrophobicContact CE2-CD1 3.93Å; F478-I497 HydrophobicContact CE2-CG1 3.66Å |
| 479 | F | 91.6 | Very high | 80.7 | Confident | 50 Ų | 50 | 39.3 Ų | 39.3 | 22% | 0.219 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 159.9 | 163.3 | 65.5 | -90.3 | 0 | 0 | 0 | 111.4 | H442 V481 P491 P494 | H442-F479 HydrophobicContact CB-CD1 3.87Å; H442-F479 HydrophobicContact CB-CD2 3.94Å; H442-F479 HydrophobicContact CB-CE1 3.43Å; H442-F479 VanDerWaalsContact CB-CE1 3.43Å; H442-F479 HydrophobicContact CB-CE2 3.52Å; H442-F479 HydrophobicContact CB-CG 4.11Å; H442-F479 HydrophobicContact CB-CZ 3.25Å; H442-F479 AromaticContact CD2-CD2 3.94Å; H442-F479 AromaticContact CD2-CE2 3.46Å; H442-F479 VanDerWaalsContact CD2-CE2 3.46Å; H442-F479 WeakPolarHBondContact CD2-CE2 3.41Å; H442-F479 AromaticContact CG-CE2 3.36Å; H442-F479 AromaticContact CG-CZ 3.4Å; H442-F479 VanDerWaalsContact CG-CZ 3.4Å; H442-F479 PolarHBondContact N-O 2.99Å; H442-F479 AromaticContact ND1-CE2 3.98Å; H442-F479 AromaticContact ND1-CZ 3.82Å; H442-F479 PolarHBondContact O-N 2.82Å; F479-V481 HydrophobicContact CD2-CG2 4.13Å; F479-V481 HydrophobicContact CE2-CG2 4.04Å; F479-P491 HydrophobicContact CD2-CB 3.59Å; F479-P491 HydrophobicContact CE2-CB 4.04Å; F479-P491 HydrophobicContact CG-CB 4.39Å; F479-P494 HydrophobicContact CB-CB 4.43Å |
| 480 | V | 90.1 | Very high | 80.5 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 142 | -177.2 | -175.8 | 0 | 0 | 0 | 0 | 110.9 | P409 L412 W426 Y439 S440 V441 S492 | P409-V480 HydrophobicContact CB-CB 4.5Å; P409-V480 HydrophobicContact CB-CG1 4.42Å; P409-V480 HydrophobicContact CG-CB 4.36Å; P409-V480 HydrophobicContact CG-CG1 4.09Å; L412-V480 HydrophobicContact CD1-CG2 3.74Å; L412-V480 HydrophobicContact CD2-CG2 4.07Å; W426-V480 HydrophobicContact CD2-CG1 4.18Å; W426-V480 HydrophobicContact CD2-CG2 4.23Å; W426-V480 HydrophobicContact CE3-CG2 4.06Å; W426-V480 HydrophobicContact CZ2-CG1 4.25Å; W426-V480 HydrophobicContact CZ3-CG2 4.39Å; Y439-V480 HydrophobicContact CD1-CG1 3.99Å; Y439-V480 HydrophobicContact CG-CG1 4.42Å; S440-V480 WeakPolarHBondContact O-CA 3.46Å; V441-V480 HydrophobicContact CG2-CG2 4.17Å; V480-S492 PolarHBondContact N-OG 3.05Å; V480-S492 PolarHBondContact O-N 3.13Å |
| 481 | V | 84.3 | Confident | 80.4 | Confident | 11 Ų | 11 | 38.1 Ų | 38.1 | 7% | 0.067 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 137 | 177.6 | -178.6 | 0 | 0 | 0 | 0 | 109.2 | Y439 S440 F479 Y483 A488 P491 | Y439-V481 CarbonylContact C-O 3.55Å; Y439-V481 WeakPolarHBondContact CA-O 3.42Å; S440-V481 PolarHBondContact N-O 2.81Å; S440-V481 PolarHBondContact O-N 2.93Å; F479-V481 HydrophobicContact CD2-CG2 4.13Å; F479-V481 HydrophobicContact CE2-CG2 4.04Å; V481-Y483 HydrophobicContact CB-CE2 3.96Å; V481-Y483 HydrophobicContact CG1-CD2 4.35Å; V481-Y483 HydrophobicContact CG1-CE2 3.66Å; V481-A488 HydrophobicContact CG1-CB 3.91Å; V481-P491 HydrophobicContact CG2-CB 4.09Å |
| 482 | A | 82.2 | Confident | 80.8 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 150.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | P406 P409 P429 I436 Y439 A488 S489 | P406-A482 HydrophobicContact CB-CB 4.3Å; P409-A482 HydrophobicContact CG-CB 4.16Å; P429-A482 HydrophobicContact CG-CB 3.79Å; I436-A482 HydrophobicContact CD1-CB 4.26Å; Y439-A482 HydrophobicContact CD1-CB 3.86Å; Y439-A482 HydrophobicContact CE1-CB 3.69Å; A482-A488 CarbonylContact O-C 3.54Å; A482-A488 WeakPolarHBondContact O-CA 3.27Å; A482-S489 PolarHBondContact N-OG 2.7Å; A482-S489 PolarHBondContact O-N 3.27Å; A482-S489 PolarHBondContact O-OG 3.1Å |
| 483 | Y | 75 | Confident | 81 | Confident | 79 Ų | 79 | 41.7 Ų | 41.7 | 31% | 0.31 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 133.1 | 177.5 | -66.3 | -103.5 | 0 | 0 | 0 | 110.5 | I436 I437 A438 S440 V481 G487 A488 | I436-Y483 CarbonylContact C-O 3.54Å; I436-Y483 VanDerWaalsContact CA-O 3.32Å; I436-Y483 WeakPolarHBondContact CA-O 3.15Å; I437-Y483 WeakPolarHBondContact CG1-O 3.46Å; I437-Y483 PolarHBondContact N-O 2.89Å; A438-Y483 PolarHBondContact O-N 2.96Å; S440-Y483 WeakPolarHBondContact OG-CE2 3.42Å; S440-Y483 PolarHBondContact OG-OH 2.82Å; V481-Y483 HydrophobicContact CB-CE2 3.96Å; V481-Y483 HydrophobicContact CG1-CD2 4.35Å; V481-Y483 HydrophobicContact CG1-CE2 3.66Å; Y483-G487 WeakPolarHBondContact CA-O 3.22Å; Y483-A488 HydrophobicContact CD1-CB 3.94Å; Y483-A488 HydrophobicContact CE1-CB 3.65Å |
| 484 | S | 72.6 | Confident | 81.2 | Confident | 5 Ų | 5 | 42.2 Ų | 42.2 | 4% | 0.035 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 175.6 | 164.1 | 79.5 | 0 | 0 | 0 | 0 | 110.3 | Q435 M486 G487 | Q435-S484 WeakPolarHBondContact O-CA 3.39Å; Q435-S484 VanDerWaalsContact O-CB 3.31Å; Q435-S484 WeakPolarHBondContact O-CB 3.44Å; S484-M486 PolarHBondContact O-N 3.04Å; S484-M486 VanDerWaalsContact O-N 3.14Å; S484-M486 PolarHBondContact OG-N 2.96Å; S484-G487 PolarHBondContact N-O 2.76Å; S484-G487 PolarHBondContact O-N 3.02Å |
| 485 | P | 59.7 | Low | 81.4 | Confident | 65 Ų | 65 | 43 Ų | 43 | 42% | 0.422 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -26.8 | 171.1 | -27.5 | 37.4 | 0 | 0 | 0 | 114 | Q435 I437 | Q435-P485 VanDerWaalsContact O-CD 3.27Å; Q435-P485 WeakPolarHBondContact O-CD 3.23Å; I437-P485 HydrophobicContact CG2-CG 4.28Å |
| 486 | M | 53.6 | Low | 81.6 | Confident | 110 Ų | 110 | 44.6 Ų | 44.6 | 54% | 0.542 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -21.8 | 177.4 | -65 | -105.1 | 69.1 | 0 | 0 | 113.7 | E403 L405 S484 | E403-M486 HydrophobicContact CB-CG 3.7Å; E403-M486 HydrophobicContact CB-SD 3.79Å; E403-M486 WeakPolarHBondContact OE2-CG 3.31Å; L405-M486 HydrophobicContact CD2-CB 4.08Å; L405-M486 WeakPolarHBondContact CD2-O 3.21Å; S484-M486 PolarHBondContact O-N 3.04Å; S484-M486 VanDerWaalsContact O-N 3.14Å; S484-M486 PolarHBondContact OG-N 2.96Å |
| 487 | G | 51.8 | Low | 81.7 | Confident | 25 Ų | 25 | 45.5 Ų | 45.5 | 26% | 0.258 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 139.2 | -163.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y483 S484 | Y483-G487 WeakPolarHBondContact CA-O 3.22Å; S484-G487 PolarHBondContact N-O 2.76Å; S484-G487 PolarHBondContact O-N 3.02Å |
| 488 | A | 65.5 | Low | 81.6 | Confident | 41 Ų | 41 | 49.4 Ų | 49.4 | 34% | 0.339 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 144.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V481 A482 Y483 | V481-A488 HydrophobicContact CG1-CB 3.91Å; A482-A488 CarbonylContact O-C 3.54Å; A482-A488 WeakPolarHBondContact O-CA 3.27Å; Y483-A488 HydrophobicContact CD1-CB 3.94Å; Y483-A488 HydrophobicContact CE1-CB 3.65Å |
| 489 | S | 82.5 | Confident | 81.5 | Confident | 8 Ų | 8 | 49.6 Ų | 49.6 | 6% | 0.056 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 166.8 | 164.9 | 72.9 | 0 | 0 | 0 | 0 | 111.3 | P406 S407 A482 | P406-S489 WeakPolarHBondContact O-CA 3.29Å; P406-S489 WeakPolarHBondContact O-CB 3.4Å; S407-S489 VanDerWaalsContact O-CB 3.27Å; S407-S489 WeakPolarHBondContact O-CB 3.14Å; A482-S489 PolarHBondContact N-OG 2.7Å; A482-S489 PolarHBondContact O-N 3.27Å; A482-S489 PolarHBondContact O-OG 3.1Å |
| 490 | P | 81.3 | Confident | 81.5 | Confident | 72 Ų | 72 | 51.4 Ų | 51.4 | 47% | 0.468 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 152.2 | 154.2 | -19.2 | 32.6 | 0 | 0 | 0 | 110.7 | L408 | L408-P490 WeakPolarHBondContact CA-O 3.47Å; L408-P490 HydrophobicContact CB-CB 4.37Å; L408-P490 WeakPolarHBondContact CB-O 3.23Å |
| 491 | P | 86.3 | Confident | 81.5 | Confident | 71 Ų | 71 | 53.9 Ų | 53.9 | 46% | 0.461 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 154.8 | 175.4 | 29.7 | -35.2 | 0 | 0 | 0 | 111.6 | L408 F479 V481 | L408-P491 WeakPolarHBondContact CB-O 3.42Å; F479-P491 HydrophobicContact CD2-CB 3.59Å; F479-P491 HydrophobicContact CE2-CB 4.04Å; F479-P491 HydrophobicContact CG-CB 4.39Å; V481-P491 HydrophobicContact CG2-CB 4.09Å |
| 492 | S | 93.7 | Very high | 81.6 | Confident | 6 Ų | 6 | 54.9 Ų | 54.9 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 164.1 | 166.3 | 73.4 | 0 | 0 | 0 | 0 | 111 | P409 L412 V480 | P409-S492 WeakPolarHBondContact O-CB 3.4Å; L412-S492 WeakPolarHBondContact CD2-OG 3.27Å; V480-S492 PolarHBondContact N-OG 3.05Å; V480-S492 PolarHBondContact O-N 3.13Å |
| 493 | L | 90.7 | Very high | 81.9 | Confident | 141 Ų | 141 | 57 Ų | 57 | 74% | 0.738 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 136 | 162.7 | -66.1 | 175.5 | 0 | 0 | 0 | 109.2 | ||
| 494 | P | 91.8 | Very high | 82.7 | Confident | 87 Ų | 87 | 53.4 Ų | 53.4 | 57% | 0.565 | 31% | 0.31 | S | S | * | . | P | Polyproline II helix | trans | -76.6 | 148.6 | 180 | 30.8 | -34.6 | 0 | 0 | 0 | 111.3 | T477 F478 F479 | T477-P494 HydrophobicContact CG2-CB 3.88Å; F478-P494 CarbonylContact O-C 3.52Å; F478-P494 VanDerWaalsContact O-CA 3.22Å; F478-P494 WeakPolarHBondContact O-CA 3.15Å; F479-P494 HydrophobicContact CB-CB 4.43Å |
| 495 | I | 92.4 | Very high | 83.3 | Confident | 46 Ų | 46 | 54.4 Ų | 54.4 | 24% | 0.236 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 132.4 | 176.3 | -171.1 | 167.7 | 0 | 0 | 0 | 110.6 | L412 A414 T477 F478 | L412-I495 HydrophobicContact CD2-CG2 3.8Å; L412-I495 HydrophobicContact CG-CG2 3.93Å; A414-I495 HydrophobicContact CB-CD1 4.09Å; A414-I495 HydrophobicContact CB-CG1 4.41Å; A414-I495 HydrophobicContact CB-CG2 3.75Å; T477-I495 CarbonylContact C-O 3.57Å; T477-I495 WeakPolarHBondContact CA-O 3.37Å; F478-I495 HydrophobicContact CB-CG2 4.07Å; F478-I495 PolarHBondContact N-O 3.16Å; F478-I495 PolarHBondContact O-N 2.68Å |
| 496 | T | 93.8 | Very high | 84.5 | Confident | 88 Ų | 88 | 53.2 Ų | 53.2 | 54% | 0.54 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 129.9 | 177.6 | -51.3 | 0 | 0 | 0 | 0 | 110.4 | Y476 T477 | Y476-T496 CarbonylContact O-C 3.51Å; Y476-T496 VanDerWaalsContact O-CA 3.29Å; Y476-T496 WeakPolarHBondContact O-CA 3.2Å; T477-T496 PolarHBondContact OG1-OG1 3.21Å |
| 497 | I | 91.8 | Very high | 86 | Confident | 22 Ų | 22 | 48.3 Ų | 48.3 | 11% | 0.113 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 154.9 | 172.6 | 59.4 | 161.6 | 0 | 0 | 0 | 110.8 | A414 A422 A475 Y476 F478 M499 | A414-I497 HydrophobicContact CB-CD1 4.04Å; A414-I497 HydrophobicContact CB-CG1 4.31Å; A414-I497 HydrophobicContact CB-CG2 3.82Å; A422-I497 HydrophobicContact CB-CD1 3.82Å; A475-I497 CarbonylContact C-O 3.51Å; A475-I497 WeakPolarHBondContact CA-O 3.49Å; Y476-I497 PolarHBondContact N-O 3.45Å; Y476-I497 PolarHBondContact O-N 3.02Å; F478-I497 HydrophobicContact CD2-CG1 4.14Å; F478-I497 HydrophobicContact CE2-CD1 3.93Å; F478-I497 HydrophobicContact CE2-CG1 3.66Å; I497-M499 HydrophobicContact CD1-SD 4.18Å |
| 498 | E | 90.7 | Very high | 87 | Confident | 110 Ų | 110 | 51.3 Ų | 51.3 | 51% | 0.514 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 132 | 172.1 | -163.6 | -177.5 | 149.4 | 0 | 0 | 110 | H473 | H473-E498 IonicContact CE1-OE1 3.94Å; H473-E498 PolarHBondContact CE1-OE1 2.76Å; H473-E498 IonicContact ND1-OE1 2.81Å; H473-E498 PolarHBondContact ND1-OE1 2.87Å |
| 499 | M | 91.1 | Very high | 87.5 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.02 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 150 | 177.2 | -59.6 | -49 | -59.2 | 0 | 0 | 111.6 | P416 S418 T421 A422 L470 L471 H473 T474 Y476 I497 | P416-M499 HydrophobicContact CB-CE 4.07Å; P416-M499 HydrophobicContact CB-SD 4.43Å; S418-M499 WeakPolarHBondContact O-CE 3.48Å; T421-M499 VanDerWaalsContact O-CE 3.28Å; T421-M499 WeakPolarHBondContact O-CE 3.26Å; A422-M499 HydrophobicContact CB-CE 4.06Å; A422-M499 HydrophobicContact CB-SD 4.09Å; L470-M499 HydrophobicContact CB-CE 4.41Å; L470-M499 HydrophobicContact CB-CG 4.31Å; L470-M499 HydrophobicContact CB-SD 4.5Å; L470-M499 HydrophobicContact CD1-CE 3.84Å; L470-M499 HydrophobicContact CD1-CG 4.49Å; L470-M499 HydrophobicContact CD1-SD 3.68Å; L471-M499 WeakPolarHBondContact O-CB 3.36Å; L471-M499 WeakPolarHBondContact O-CG 3.23Å; H473-M499 VanDerWaalsContact CA-O 3.3Å; H473-M499 WeakPolarHBondContact CA-O 3.26Å; H473-M499 PolarHBondContact N-O 3.11Å; T474-M499 WeakPolarHBondContact O-CG 3.4Å; T474-M499 PolarHBondContact O-N 2.82Å; Y476-M499 HydrophobicContact CD2-CG 3.75Å; Y476-M499 HydrophobicContact CD2-SD 4.39Å; Y476-M499 HydrophobicContact CE2-CG 3.97Å; I497-M499 HydrophobicContact CD1-SD 4.18Å |
| 500 | L | 90.4 | Very high | 87.6 | Confident | 89 Ų | 89 | 55.7 Ų | 55.7 | 47% | 0.466 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 153.8 | 177.8 | -60.1 | 173.4 | 0 | 0 | 0 | 112 | P416 H473 | P416-L500 HydrophobicContact CB-CG 4.19Å; P416-L500 HydrophobicContact CG-CD2 4.49Å; P416-L500 HydrophobicContact CG-CG 4.46Å; H473-L500 PolarHBondContact N-O 3.24Å; H473-L500 VanDerWaalsContact N-O 3.09Å |
| 501 | E | 89.5 | Confident | 87.6 | Confident | 52 Ų | 52 | 55.7 Ų | 55.7 | 24% | 0.243 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 156.7 | 167.2 | -67.2 | -156.2 | 154.5 | 0 | 0 | 111.7 | H473 A535 A584 V585 | H473-E501 HydrophobicContact CB-CG 4.48Å; E501-A535 WeakPolarHBondContact OE1-CB 3.4Å; E501-A535 PolarHBondContact OE1-N 3.11Å; E501-A584 WeakPolarHBondContact OE2-CB 3.45Å; E501-A584 PolarHBondContact OE2-N 3.42Å; E501-A584 VanDerWaalsContact OE2-N 3.15Å; E501-V585 HydrophobicContact CB-CG2 3.75Å |
| 502 | D | 88.1 | Confident | 87.6 | Confident | 31 Ų | 31 | 53.5 Ų | 53.5 | 17% | 0.166 | 31% | 0.305 | C | S | . | . | trans | -134.7 | 174.6 | 172.1 | -149.8 | -32.7 | 0 | 0 | 0 | 110 | S419 P472 R533 T583 | S419-D502 WeakPolarHBondContact CB-OD2 3.15Å; S419-D502 PolarHBondContact OG-OD2 2.93Å; P472-D502 HydrophobicContact CB-CB 3.84Å; P472-D502 HydrophobicContact CG-CB 3.88Å; D502-R533 HydrophobicContact CB-CB 4.03Å; D502-R533 PolarHBondContact N-O 2.83Å; D502-R533 IonicContact OD2-CZ 3.56Å; D502-R533 IonicContact OD2-NE 3.3Å; D502-R533 IonicContact OD2-NH2 3.44Å; D502-R533 PolarHBondContact OD2-NH2 2.78Å; D502-T583 WeakPolarHBondContact O-CB 3.47Å; D502-T583 WeakPolarHBondContact O-CG2 3.47Å; D502-T583 PolarHBondContact O-OG1 2.93Å | ||
| 503 | V | 88.7 | Confident | 86.9 | Confident | 46 Ų | 46 | 55.7 Ų | 55.7 | 28% | 0.279 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 143 | 168.6 | -59.4 | 0 | 0 | 0 | 0 | 110.8 | R533 V585 | V503-R533 WeakPolarHBondContact O-CD 3.32Å; V503-V585 HydrophobicContact CG1-CB 4.22Å; V503-V585 HydrophobicContact CG1-CG1 3.88Å |
| 504 | P | 90.4 | Very high | 86.2 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.013 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 158.9 | -180 | -30.3 | 37.6 | 0 | 0 | 0 | 115.4 | L527 S532 A581 T583 G588 V589 | P504-L527 HydrophobicContact CB-CD2 3.87Å; P504-S532 WeakPolarHBondContact CG-O 3.45Å; P504-A581 HydrophobicContact CB-CB 3.8Å; P504-A581 HydrophobicContact CG-CB 3.88Å; P504-T583 HydrophobicContact CG-CG2 3.77Å; P504-G588 WeakPolarHBondContact O-CA 3.2Å; P504-V589 PolarHBondContact O-N 2.82Å |
| 505 | S | 86.3 | Confident | 85.5 | Confident | 26 Ų | 26 | 50 Ų | 50 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -80.4 | 167.7 | 165 | 64.9 | 0 | 0 | 0 | 0 | 112.1 | H531 | S505-H531 PolarHBondContact N-O 3.04Å; S505-H531 WeakPolarHBondContact OG-CA 3.41Å; S505-H531 WeakPolarHBondContact OG-CB 3.37Å; S505-H531 PolarHBondContact OG-ND1 3.26Å; S505-H531 PolarHBondContact OG-O 3.09Å |
| 506 | A | 84.1 | Confident | 84.8 | Confident | 41 Ų | 41 | 49 Ų | 49 | 34% | 0.339 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 125.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V589 | A506-V589 VanDerWaalsContact CA-O 3.29Å; A506-V589 WeakPolarHBondContact CA-O 3.42Å; A506-V589 HydrophobicContact CB-CB 4.29Å; A506-V589 HydrophobicContact CB-CG1 4.19Å |
| 507 | P | 85.4 | Confident | 84.1 | Confident | 7 Ų | 7 | 46.9 Ų | 46.9 | 5% | 0.045 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 123 | 178.8 | -27.2 | 36.7 | 0 | 0 | 0 | 111.3 | Q509 L527 I579 A581 | P507-Q509 PolarHBondContact O-N 2.88Å; P507-L527 HydrophobicContact CB-CD1 4.27Å; P507-L527 HydrophobicContact CG-CD1 4.23Å; P507-I579 HydrophobicContact CB-CG2 4Å; P507-I579 WeakPolarHBondContact CD-O 3.27Å; P507-I579 HydrophobicContact CG-CG2 4.1Å; P507-A581 HydrophobicContact CG-CB 4.39Å |
| 508 | P | 72.6 | Confident | 83.6 | Confident | 88 Ų | 88 | 48.3 Ų | 48.3 | 57% | 0.571 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -76.3 | -17.7 | -162.2 | 26.8 | -35.4 | 0 | 0 | 0 | 115 | ||
| 509 | Q | 75.6 | Confident | 83.4 | Confident | 116 Ų | 116 | 44.9 Ų | 44.9 | 54% | 0.542 | 27% | 0.274 | S | S | . | . | trans | -144.1 | 118.3 | 179.6 | -64.3 | -171.4 | 3.7 | 0 | 0 | 111.7 | P507 | P507-Q509 PolarHBondContact O-N 2.88Š| ||
| 510 | L | 84.3 | Confident | 83.1 | Confident | 25 Ų | 25 | 44.7 Ų | 44.7 | 13% | 0.131 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 119.3 | 171 | 178.2 | 62.3 | 0 | 0 | 0 | 109.4 | V512 L522 W524 I579 V594 | L510-V512 HydrophobicContact CD1-CG2 4.44Å; L510-V512 HydrophobicContact CD2-CG2 4.13Å; L510-V512 HydrophobicContact CG-CG2 3.89Å; L510-L522 HydrophobicContact CD1-CB 4.24Å; L510-L522 HydrophobicContact CD1-CD2 4.21Å; L510-W524 HydrophobicContact CD1-CB 4.39Å; L510-W524 HydrophobicContact CD1-CE3 4.36Å; L510-I579 HydrophobicContact CB-CG2 4.3Å; L510-I579 HydrophobicContact CD1-CB 4.48Å; L510-I579 HydrophobicContact CD1-CG2 4.01Å; L510-I579 HydrophobicContact CD2-CB 4.45Å; L510-I579 HydrophobicContact CD2-CG2 4.1Å; L510-I579 HydrophobicContact CG-CG2 4.36Å; L510-V594 HydrophobicContact CB-CG2 4.49Å; L510-V594 HydrophobicContact CD2-CG2 4.2Å; L510-V594 HydrophobicContact CG-CG2 4.48Å |
| 511 | S | 82.7 | Confident | 83 | Confident | 72 Ų | 72 | 45.6 Ų | 45.6 | 50% | 0.503 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 130.6 | 173.2 | -62.2 | 0 | 0 | 0 | 0 | 109.8 | L522 V523 | S511-L522 CarbonylContact O-C 3.41Å; S511-L522 WeakPolarHBondContact O-CA 3.43Å; S511-V523 WeakPolarHBondContact CB-O 3.3Å; S511-V523 PolarHBondContact N-O 3.42Å; S511-V523 PolarHBondContact O-N 3.12Å |
| 512 | V | 84.6 | Confident | 83.1 | Confident | 25 Ų | 25 | 43.1 Ų | 43.1 | 15% | 0.152 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 137.5 | -178.8 | -171.5 | 0 | 0 | 0 | 0 | 109.4 | L510 I520 R521 L522 L577 V594 Q596 | L510-V512 HydrophobicContact CD1-CG2 4.44Å; L510-V512 HydrophobicContact CD2-CG2 4.13Å; L510-V512 HydrophobicContact CG-CG2 3.89Å; V512-I520 HydrophobicContact CG1-CG2 3.26Å; V512-R521 WeakPolarHBondContact CA-O 3.42Å; V512-L522 HydrophobicContact CG2-CG 4.43Å; V512-L577 HydrophobicContact CG1-CD1 4.21Å; V512-L577 HydrophobicContact CG1-CD2 4.13Å; V512-V594 HydrophobicContact CB-CG1 4.08Å; V512-V594 HydrophobicContact CG2-CB 4.05Å; V512-V594 HydrophobicContact CG2-CG1 3.82Å; V512-Q596 HydrophobicContact CG1-CB 3.74Å; V512-Q596 HydrophobicContact CG1-CG 4Å |
| 513 | A | 79.3 | Confident | 83 | Confident | 51 Ų | 51 | 44.2 Ų | 44.2 | 42% | 0.421 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 139.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | R521 | A513-R521 PolarHBondContact N-O 2.64Å; A513-R521 PolarHBondContact O-N 2.83Å |
| 514 | S | 77.2 | Confident | 82.9 | Confident | 26 Ų | 26 | 42.5 Ų | 42.5 | 18% | 0.182 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 130 | 169.1 | 179.7 | 0 | 0 | 0 | 0 | 110.1 | S516 D519 Q597 V599 | S514-S516 PolarHBondContact OG-O 3.16Å; S514-D519 WeakPolarHBondContact CA-O 3.4Å; S514-D519 PolarHBondContact OG-O 2.86Å; S514-Q597 WeakPolarHBondContact CB-O 3.38Å; S514-V599 PolarHBondContact OG-N 2.9Å |
| 515 | T | 75.8 | Confident | 82.6 | Confident | 82 Ų | 82 | 48.1 Ų | 48.1 | 50% | 0.503 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | -20.5 | -179.8 | 46.9 | 0 | 0 | 0 | 0 | 113 | D519 R521 | T515-D519 PolarHBondContact N-O 3.06Å; T515-D519 WeakPolarHBondContact OG1-CB 3.44Å; T515-R521 HydrophobicContact CG2-CB 3.71Å |
| 516 | S | 79.2 | Confident | 82.6 | Confident | 26 Ų | 26 | 51.1 Ų | 51.1 | 18% | 0.182 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 174.9 | 174.1 | 86.4 | 0 | 0 | 0 | 0 | 109.7 | S514 T518 D519 | S514-S516 PolarHBondContact OG-O 3.16Å; S516-T518 PolarHBondContact O-N 3.42Å; S516-T518 VanDerWaalsContact O-N 3.11Å; S516-T518 PolarHBondContact OG-N 3.47Å; S516-T518 PolarHBondContact OG-OG1 3.21Å; S516-D519 WeakPolarHBondContact CB-OD2 3.39Å; S516-D519 PolarHBondContact N-O 3.34Å; S516-D519 PolarHBondContact O-N 3.3Å; S516-D519 WeakPolarHBondContact OG-CB 3.45Å; S516-D519 PolarHBondContact OG-N 3.49Å; S516-D519 VanDerWaalsContact OG-N 3.09Å; S516-D519 PolarHBondContact OG-OD2 3.22Å |
| 517 | P | 78.8 | Confident | 82.6 | Confident | 43 Ų | 43 | 50.1 Ų | 50.1 | 28% | 0.279 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -18.2 | 170.9 | -25.4 | 36.4 | 0 | 0 | 0 | 114.9 | P571 T598 V599 | P517-P571 HydrophobicContact CB-CB 4.16Å; P517-P571 HydrophobicContact CB-CG 4.24Å; P517-P571 WeakPolarHBondContact O-CA 3.38Å; P517-T598 WeakPolarHBondContact O-CB 3.46Å; P517-V599 WeakPolarHBondContact CA-O 3.45Å; P517-V599 WeakPolarHBondContact CB-O 3.45Å; P517-V599 HydrophobicContact CG-CB 4.36Å |
| 518 | T | 81.6 | Confident | 82.4 | Confident | 53 Ų | 53 | 53.5 Ų | 53.5 | 33% | 0.325 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | -3.2 | -178.9 | 58.2 | 0 | 0 | 0 | 0 | 114 | S516 R567 E568 L569 P571 | S516-T518 PolarHBondContact O-N 3.42Å; S516-T518 VanDerWaalsContact O-N 3.11Å; S516-T518 PolarHBondContact OG-N 3.47Å; S516-T518 PolarHBondContact OG-OG1 3.21Å; T518-R567 CarbonylContact O-C 3.57Å; T518-E568 PolarHBondContact O-N 2.88Å; T518-L569 WeakPolarHBondContact CA-O 3.14Å; T518-L569 WeakPolarHBondContact O-CA 3.09Å; T518-L569 WeakPolarHBondContact O-CB 3.33Å; T518-L569 WeakPolarHBondContact O-CG 3.26Å; T518-L569 PolarHBondContact O-N 2.9Å; T518-P571 HydrophobicContact CG2-CG 4.32Å |
| 519 | D | 84.8 | Confident | 82.2 | Confident | 38 Ų | 38 | 54 Ų | 54 | 20% | 0.203 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 139.9 | -168.2 | -44.3 | -39.5 | 0 | 0 | 0 | 112.6 | S514 T515 S516 T565 L566 R567 | S514-D519 WeakPolarHBondContact CA-O 3.4Å; S514-D519 PolarHBondContact OG-O 2.86Å; T515-D519 PolarHBondContact N-O 3.06Å; T515-D519 WeakPolarHBondContact OG1-CB 3.44Å; S516-D519 WeakPolarHBondContact CB-OD2 3.39Å; S516-D519 PolarHBondContact N-O 3.34Å; S516-D519 PolarHBondContact O-N 3.3Å; S516-D519 WeakPolarHBondContact OG-CB 3.45Å; S516-D519 PolarHBondContact OG-N 3.49Å; S516-D519 VanDerWaalsContact OG-N 3.09Å; S516-D519 PolarHBondContact OG-OD2 3.22Å; D519-T565 HydrophobicContact CB-CG2 4.16Å; D519-L566 VanDerWaalsContact CA-O 3.25Å; D519-L566 WeakPolarHBondContact CA-O 3.39Å; D519-R567 WeakPolarHBondContact OD1-CA 3.45Å |
| 520 | I | 86.4 | Confident | 81.9 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 123.9 | 173.9 | -68.3 | 175.1 | 0 | 0 | 0 | 108.8 | V512 L522 T565 L566 L569 Y575 L577 Q596 T598 | V512-I520 HydrophobicContact CG1-CG2 3.26Å; I520-L522 HydrophobicContact CG2-CD1 4.47Å; I520-T565 CarbonylContact O-C 3.52Å; I520-T565 WeakPolarHBondContact O-CA 3.48Å; I520-L566 PolarHBondContact N-O 2.8Å; I520-L566 PolarHBondContact O-N 2.89Å; I520-L569 HydrophobicContact CB-CD1 3.86Å; I520-L569 HydrophobicContact CD1-CD1 3.63Å; I520-L569 HydrophobicContact CG1-CD1 3.64Å; I520-Y575 HydrophobicContact CD1-CD2 4.13Å; I520-Y575 HydrophobicContact CD1-CG 4.42Å; I520-L577 HydrophobicContact CD1-CD1 4.46Å; I520-L577 HydrophobicContact CG2-CD2 3.79Å; I520-Q596 HydrophobicContact CD1-CB 4.11Å; I520-Q596 HydrophobicContact CD1-CG 3.84Å; I520-Q596 HydrophobicContact CG1-CG 4.1Å; I520-Q596 HydrophobicContact CG2-CG 4.21Å; I520-T598 HydrophobicContact CD1-CG2 3.92Å; I520-T598 HydrophobicContact CG1-CG2 4.04Å |
| 521 | R | 87.8 | Confident | 81.7 | Confident | 107 Ų | 107 | 56.8 Ų | 56.8 | 40% | 0.404 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 132.5 | 174.4 | -174.1 | 176.6 | 175.1 | -146.6 | 1.9 | 110.5 | V512 A513 T515 V523 F564 | V512-R521 WeakPolarHBondContact CA-O 3.42Å; A513-R521 PolarHBondContact N-O 2.64Å; A513-R521 PolarHBondContact O-N 2.83Å; T515-R521 HydrophobicContact CG2-CB 3.71Å; R521-V523 HydrophobicContact CG-CG2 4.31Å; R521-F564 WeakPolarHBondContact CA-O 3.47Å |
| 522 | L | 91.1 | Very high | 81.6 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 140.5 | 173.4 | -59.6 | 87.7 | 0 | 0 | 0 | 108.7 | L510 S511 V512 I520 W524 V541 Q563 F564 L566 L577 | L510-L522 HydrophobicContact CD1-CB 4.24Å; L510-L522 HydrophobicContact CD1-CD2 4.21Å; S511-L522 CarbonylContact O-C 3.41Å; S511-L522 WeakPolarHBondContact O-CA 3.43Å; V512-L522 HydrophobicContact CG2-CG 4.43Å; I520-L522 HydrophobicContact CG2-CD1 4.47Å; L522-W524 HydrophobicContact CB-CE3 4.29Å; L522-W524 HydrophobicContact CB-CZ3 4.02Å; L522-V541 HydrophobicContact CD1-CG1 4.48Å; L522-V541 HydrophobicContact CD2-CG1 3.52Å; L522-V541 HydrophobicContact CD2-CG2 4.24Å; L522-Q563 VanDerWaalsContact O-CA 3.28Å; L522-Q563 WeakPolarHBondContact O-CA 3.42Å; L522-F564 HydrophobicContact CD1-CD1 4.38Å; L522-F564 PolarHBondContact N-O 3.21Å; L522-F564 PolarHBondContact O-N 2.94Å; L522-L566 HydrophobicContact CD1-CD1 4.02Å; L522-L566 HydrophobicContact CD1-CG 4.09Å; L522-L577 HydrophobicContact CD1-CD2 3.85Å; L522-L577 HydrophobicContact CD2-CB 4.31Å; L522-L577 HydrophobicContact CD2-CD2 3.85Å; L522-L577 HydrophobicContact CG-CD2 3.97Å |
| 523 | V | 85.4 | Confident | 81.6 | Confident | 54 Ų | 54 | 56.5 Ų | 56.5 | 33% | 0.327 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 132 | 174.1 | -176 | 0 | 0 | 0 | 0 | 108.6 | S511 R521 T562 Q563 | S511-V523 WeakPolarHBondContact CB-O 3.3Å; S511-V523 PolarHBondContact N-O 3.42Å; S511-V523 PolarHBondContact O-N 3.12Å; R521-V523 HydrophobicContact CG-CG2 4.31Å; V523-T562 WeakPolarHBondContact CA-O 3.47Å; V523-Q563 HydrophobicContact CG2-CB 4.21Å |
| 524 | W | 88 | Confident | 81.9 | Confident | 10 Ų | 10 | 54.3 Ų | 54.3 | 4% | 0.038 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 172.2 | 178.7 | 59.6 | 97.2 | 0 | 0 | 0 | 110.7 | L510 L522 Y539 L557 E561 T562 F564 I579 | L510-W524 HydrophobicContact CD1-CB 4.39Å; L510-W524 HydrophobicContact CD1-CE3 4.36Å; L522-W524 HydrophobicContact CB-CE3 4.29Å; L522-W524 HydrophobicContact CB-CZ3 4.02Å; W524-Y539 AromaticContact CD1-CE1 3.91Å; W524-Y539 AromaticContact CD1-CZ 3.96Å; W524-Y539 HydrophobicContact CZ2-CD2 4.29Å; W524-Y539 HydrophobicContact CZ2-CG 4.33Å; W524-Y539 AromaticContact NE1-CD1 3.82Å; W524-Y539 AromaticContact NE1-CD2 3.76Å; W524-Y539 AromaticContact NE1-CE1 3.62Å; W524-Y539 AromaticContact NE1-CE2 3.57Å; W524-Y539 AromaticContact NE1-CG 3.9Å; W524-Y539 AromaticContact NE1-CZ 3.52Å; W524-L557 HydrophobicContact CH2-CD1 3.6Å; W524-L557 HydrophobicContact CZ2-CD1 4.1Å; W524-E561 HydrophobicContact CZ2-CB 4.36Å; W524-E561 VanDerWaalsContact CZ2-O 3.29Å; W524-E561 WeakPolarHBondContact CZ2-O 3Å; W524-E561 PolarHBondContact NE1-O 3.34Å; W524-T562 PolarHBondContact N-O 3.45Å; W524-F564 HydrophobicContact CH2-CB 3.74Å; W524-F564 HydrophobicContact CZ3-CB 3.89Å; W524-I579 HydrophobicContact CB-CD1 4.49Å; W524-I579 HydrophobicContact CD2-CD1 3.27Å; W524-I579 HydrophobicContact CE3-CD1 3.6Å; W524-I579 HydrophobicContact CG-CD1 3.71Å; W524-I579 HydrophobicContact CH2-CD1 4.06Å; W524-I579 HydrophobicContact CZ2-CD1 3.77Å; W524-I579 HydrophobicContact CZ3-CD1 3.98Å |
| 525 | Q | 84.6 | Confident | 82.4 | Confident | 121 Ų | 121 | 55.4 Ų | 55.4 | 57% | 0.565 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -102.2 | 148.6 | 173.4 | -66.1 | -176.2 | -25.1 | 0 | 0 | 110.1 | ||
| 526 | P | 85.3 | Confident | 83 | Confident | 88 Ų | 88 | 53.2 Ų | 53.2 | 57% | 0.571 | 29% | 0.293 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 144.1 | 167.1 | -22.4 | 33.2 | 0 | 0 | 0 | 111 | T562 | P526-T562 HydrophobicContact CG-CG2 3.68Š|
| 527 | L | 84.4 | Confident | 83.5 | Confident | 21 Ų | 21 | 55.4 Ų | 55.4 | 11% | 0.11 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 140.1 | 175.7 | -76.9 | 70.9 | 0 | 0 | 0 | 109.8 | P504 P507 H531 V536 Y539 A581 | P504-L527 HydrophobicContact CB-CD2 3.87Å; P507-L527 HydrophobicContact CB-CD1 4.27Å; P507-L527 HydrophobicContact CG-CD1 4.23Å; L527-H531 HydrophobicContact CB-CB 4.1Å; L527-H531 HydrophobicContact CD2-CB 4.14Å; L527-H531 HydrophobicContact CG-CB 4.21Å; L527-V536 HydrophobicContact CB-CG2 4.47Å; L527-Y539 HydrophobicContact CD1-CE1 3.68Å; L527-Y539 WeakPolarHBondContact CD1-OH 3.31Å; L527-A581 HydrophobicContact CD1-CB 3.78Å; L527-A581 HydrophobicContact CD2-CB 3.73Å; L527-A581 HydrophobicContact CG-CB 4.45Å |
| 528 | T | 80.9 | Confident | 84.2 | Confident | 78 Ų | 78 | 56.4 Ų | 56.4 | 48% | 0.479 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 162 | 167.4 | 61.1 | 0 | 0 | 0 | 0 | 110.1 | Q530 H531 S532 | T528-Q530 VanDerWaalsContact C-N 3.26Å; T528-Q530 PolarHBondContact O-N 3.18Å; T528-H531 CarbonylContact O-C 3.58Å; T528-H531 WeakPolarHBondContact O-CA 3.44Å; T528-H531 PolarHBondContact O-N 3.38Å; T528-H531 PolarHBondContact OG1-CD2 2.9Å; T528-H531 VanDerWaalsContact OG1-CD2 3.24Å; T528-S532 PolarHBondContact O-N 2.8Å |
| 529 | S | 69.3 | Low | 84.7 | Confident | 98 Ų | 98 | 54 Ų | 54 | 69% | 0.685 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -52.3 | -41.7 | 178.6 | 48.5 | 0 | 0 | 0 | 0 | 113.4 | H531 S532 R533 | S529-H531 PolarHBondContact O-N 2.99Å; S529-S532 PolarHBondContact O-N 2.89Å; S529-S532 PolarHBondContact O-OG 3.24Å; S529-R533 PolarHBondContact O-N 2.91Å |
| 530 | Q | 68.1 | Low | 85.1 | Confident | 131 Ų | 131 | 54.7 Ų | 54.7 | 61% | 0.612 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -59.6 | -31.4 | 175 | -66.9 | -177.6 | -11.9 | 0 | 0 | 113.3 | T528 | T528-Q530 VanDerWaalsContact C-N 3.26Å; T528-Q530 PolarHBondContact O-N 3.18Å |
| 531 | H | 79.5 | Confident | 85.5 | Confident | 69 Ų | 69 | 54.7 Ų | 54.7 | 32% | 0.319 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -94.8 | -30.4 | -178.8 | -73.7 | -55.2 | 0 | 0 | 0 | 113.6 | S505 L527 T528 S529 | S505-H531 PolarHBondContact N-O 3.04Å; S505-H531 WeakPolarHBondContact OG-CA 3.41Å; S505-H531 WeakPolarHBondContact OG-CB 3.37Å; S505-H531 PolarHBondContact OG-ND1 3.26Å; S505-H531 PolarHBondContact OG-O 3.09Å; L527-H531 HydrophobicContact CB-CB 4.1Å; L527-H531 HydrophobicContact CD2-CB 4.14Å; L527-H531 HydrophobicContact CG-CB 4.21Å; T528-H531 CarbonylContact O-C 3.58Å; T528-H531 WeakPolarHBondContact O-CA 3.44Å; T528-H531 PolarHBondContact O-N 3.38Å; T528-H531 PolarHBondContact OG1-CD2 2.9Å; T528-H531 VanDerWaalsContact OG1-CD2 3.24Å; S529-H531 PolarHBondContact O-N 2.99Å |
| 532 | S | 81.8 | Confident | 85.7 | Confident | 13 Ų | 13 | 49.7 Ų | 49.7 | 9% | 0.091 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -72.9 | -34.3 | -177.2 | 70.7 | 0 | 0 | 0 | 0 | 112.9 | P504 T528 S529 G534 T583 | P504-S532 WeakPolarHBondContact CG-O 3.45Å; T528-S532 PolarHBondContact O-N 2.8Å; S529-S532 PolarHBondContact O-N 2.89Å; S529-S532 PolarHBondContact O-OG 3.24Å; S532-G534 VanDerWaalsContact CB-O 3.26Å; S532-G534 WeakPolarHBondContact CB-O 3.31Å; S532-G534 PolarHBondContact O-N 2.69Å; S532-G534 VanDerWaalsContact O-N 3.11Å; S532-G534 PolarHBondContact OG-O 2.99Å; S532-T583 WeakPolarHBondContact O-CG2 3.11Å |
| 533 | R | 83.5 | Confident | 85.8 | Confident | 78 Ų | 78 | 51.9 Ų | 51.9 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | S | Bend | trans | 56.3 | 23.5 | 178 | -59.8 | 172.1 | 65 | 149.6 | 1.9 | 114 | P472 D502 V503 S529 | P472-R533 HydrophobicContact CB-CB 3.88Å; P472-R533 HydrophobicContact CB-CG 4.46Å; P472-R533 HydrophobicContact CG-CB 4.11Å; P472-R533 HydrophobicContact CG-CG 4.23Å; D502-R533 HydrophobicContact CB-CB 4.03Å; D502-R533 PolarHBondContact N-O 2.83Å; D502-R533 IonicContact OD2-CZ 3.56Å; D502-R533 IonicContact OD2-NE 3.3Å; D502-R533 IonicContact OD2-NH2 3.44Å; D502-R533 PolarHBondContact OD2-NH2 2.78Å; V503-R533 WeakPolarHBondContact O-CD 3.32Å; S529-R533 PolarHBondContact O-N 2.91Å |
| 534 | G | 86.4 | Confident | 86 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | S | Bend | trans | 155.6 | -178.9 | -169.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | S532 V536 | S532-G534 VanDerWaalsContact CB-O 3.26Å; S532-G534 WeakPolarHBondContact CB-O 3.31Å; S532-G534 PolarHBondContact O-N 2.69Å; S532-G534 VanDerWaalsContact O-N 3.11Å; S532-G534 PolarHBondContact OG-O 2.99Å; G534-V536 PolarHBondContact O-N 2.86Å |
| 535 | A | 86.9 | Confident | 85.9 | Confident | 49 Ų | 49 | 49.3 Ų | 49.3 | 41% | 0.405 | 27% | 0.265 | S | S | . | . | trans | -76.6 | 118 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | E501 T537 T583 | E501-A535 WeakPolarHBondContact OE1-CB 3.4Å; E501-A535 PolarHBondContact OE1-N 3.11Å; A535-T537 PolarHBondContact O-N 3.31Å; A535-T537 VanDerWaalsContact O-N 3.11Å; A535-T583 WeakPolarHBondContact O-CA 3.4Å | ||
| 536 | V | 89.3 | Confident | 85.9 | Confident | 37 Ų | 37 | 45.9 Ų | 45.9 | 22% | 0.224 | 25% | 0.25 | C | C | . | . | trans | -71.7 | 108.4 | 178.4 | -173.3 | 0 | 0 | 0 | 0 | 110 | L527 G534 Y539 A581 | L527-V536 HydrophobicContact CB-CG2 4.47Å; G534-V536 PolarHBondContact O-N 2.86Å; V536-Y539 HydrophobicContact CG1-CE1 4.44Å; V536-Y539 HydrophobicContact CG1-CE2 4.03Å; V536-A581 HydrophobicContact CG1-CB 4.24Å | ||
| 537 | T | 90.3 | Very high | 85.5 | Confident | 71 Ų | 71 | 46 Ų | 46 | 44% | 0.436 | 25% | 0.246 | S | C | . | . | trans | -96.7 | -25.9 | -178.2 | 54.2 | 0 | 0 | 0 | 0 | 113 | A535 G559 G582 | A535-T537 PolarHBondContact O-N 3.31Å; A535-T537 VanDerWaalsContact O-N 3.11Å; T537-G559 WeakPolarHBondContact O-CA 3.37Å; T537-G559 PolarHBondContact O-N 3.06Å; T537-G582 PolarHBondContact N-O 2.79Å; T537-G582 PolarHBondContact OG1-O 3.14Å | ||
| 538 | R | 92.2 | Very high | 85.2 | Confident | 64 Ų | 64 | 49 Ų | 49 | 24% | 0.242 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 162.2 | -175.3 | 57.5 | -173.3 | -174.1 | -69.5 | 0.9 | 113.3 | L557 G582 T583 F587 | R538-L557 CarbonylContact C-O 3.56Å; R538-L557 WeakPolarHBondContact CA-O 3.33Å; R538-L557 VanDerWaalsContact CB-O 3.32Å; R538-L557 WeakPolarHBondContact CB-O 3.37Å; R538-G582 PolarHBondContact N-O 3.5Å; R538-G582 PolarHBondContact O-N 3.47Å; R538-T583 PolarHBondContact NH1-O 2.9Å; R538-T583 PolarHBondContact NH2-O 2.99Å; R538-F587 HydrophobicContact CB-CE1 4.33Å; R538-F587 HydrophobicContact CB-CZ 4.38Å; R538-F587 HydrophobicContact CG-CD1 4.5Å; R538-F587 HydrophobicContact CG-CE1 3.6Å; R538-F587 HydrophobicContact CG-CZ 3.64Å; R538-F587 VanDerWaalsContact NE-CE2 3.35Å; R538-F587 VanDerWaalsContact NE-CZ 3.3Å |
| 539 | Y | 93.3 | Very high | 84.5 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 156.5 | 168.3 | -72.7 | -82.7 | 0 | 0 | 0 | 110.3 | W524 L527 V536 E556 L557 G559 E561 I579 A580 A581 | W524-Y539 AromaticContact CD1-CE1 3.91Å; W524-Y539 AromaticContact CD1-CZ 3.96Å; W524-Y539 HydrophobicContact CZ2-CD2 4.29Å; W524-Y539 HydrophobicContact CZ2-CG 4.33Å; W524-Y539 AromaticContact NE1-CD1 3.82Å; W524-Y539 AromaticContact NE1-CD2 3.76Å; W524-Y539 AromaticContact NE1-CE1 3.62Å; W524-Y539 AromaticContact NE1-CE2 3.57Å; W524-Y539 AromaticContact NE1-CG 3.9Å; W524-Y539 AromaticContact NE1-CZ 3.52Å; L527-Y539 HydrophobicContact CD1-CE1 3.68Å; L527-Y539 WeakPolarHBondContact CD1-OH 3.31Å; V536-Y539 HydrophobicContact CG1-CE1 4.44Å; V536-Y539 HydrophobicContact CG1-CE2 4.03Å; Y539-E556 CarbonylContact O-C 3.57Å; Y539-E556 WeakPolarHBondContact O-CA 3.18Å; Y539-L557 PolarHBondContact N-O 2.8Å; Y539-L557 PolarHBondContact O-N 2.81Å; Y539-G559 WeakPolarHBondContact CE2-O 3.36Å; Y539-E561 WeakPolarHBondContact CE2-O 3.45Å; Y539-I579 HydrophobicContact CD1-CD1 3.8Å; Y539-I579 HydrophobicContact CD1-CG1 4.1Å; Y539-I579 HydrophobicContact CG-CD1 4.23Å; Y539-A580 CarbonylContact C-O 3.57Å; Y539-A580 VanDerWaalsContact CA-O 3.31Å; Y539-A580 WeakPolarHBondContact CA-O 3.46Å; Y539-A581 HydrophobicContact CD1-CB 3.85Å; Y539-A581 HydrophobicContact CE1-CB 3.62Å |
| 540 | R | 93.5 | Very high | 84.7 | Confident | 53 Ų | 53 | 53.8 Ų | 53.8 | 20% | 0.2 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 123.6 | 171.6 | -167.6 | -178.1 | 79.6 | -139.1 | -3.7 | 110.3 | D542 V555 E556 I579 A580 F587 | R540-D542 IonicContact CZ-OD1 3.34Å; R540-D542 IonicContact CZ-OD2 3.57Å; R540-D542 IonicContact NE-OD1 2.85Å; R540-D542 PolarHBondContact NE-OD1 3.05Å; R540-D542 IonicContact NE-OD2 2.67Å; R540-D542 IonicContact NH2-OD1 2.73Å; R540-D542 IonicContact NH2-OD2 2.84Å; R540-D542 PolarHBondContact NH2-OD2 2.87Å; R540-D542 VanDerWaalsContact NH2-OD2 3.09Å; R540-V555 CarbonylContact C-O 3.49Å; R540-V555 VanDerWaalsContact CA-O 3.31Å; R540-V555 WeakPolarHBondContact CA-O 3.35Å; R540-E556 HydrophobicContact CB-CG 4.33Å; R540-E556 HydrophobicContact CG-CG 3.99Å; R540-I579 CarbonylContact O-C 3.56Å; R540-I579 WeakPolarHBondContact O-CA 3.42Å; R540-A580 PolarHBondContact N-O 2.97Å; R540-A580 PolarHBondContact O-N 2.91Å; R540-F587 HydrophobicContact CB-CD1 3.95Å; R540-F587 HydrophobicContact CB-CE1 3.59Å; R540-F587 HydrophobicContact CB-CZ 3.89Å |
| 541 | V | 93.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 116 | 173.5 | 175.2 | 0 | 0 | 0 | 0 | 108.4 | L522 S554 V555 L557 F564 R578 I579 | L522-V541 HydrophobicContact CD1-CG1 4.48Å; L522-V541 HydrophobicContact CD2-CG1 3.52Å; L522-V541 HydrophobicContact CD2-CG2 4.24Å; V541-S554 CarbonylContact O-C 3.19Å; V541-S554 WeakPolarHBondContact O-CA 3.42Å; V541-V555 PolarHBondContact N-O 3.38Å; V541-V555 PolarHBondContact O-N 2.87Å; V541-L557 HydrophobicContact CG2-CD1 3.87Å; V541-F564 HydrophobicContact CG2-CD1 4.33Å; V541-R578 WeakPolarHBondContact CA-O 3.5Å; V541-I579 HydrophobicContact CG2-CD1 4.32Å; V541-I579 HydrophobicContact CG2-CG1 4.32Å |
| 542 | D | 92.4 | Very high | 85.7 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 130.9 | 173.5 | -60.1 | -22.2 | 0 | 0 | 0 | 109.1 | R540 V552 F553 S554 L577 R578 W593 | R540-D542 IonicContact CZ-OD1 3.34Å; R540-D542 IonicContact CZ-OD2 3.57Å; R540-D542 IonicContact NE-OD1 2.85Å; R540-D542 PolarHBondContact NE-OD1 3.05Å; R540-D542 IonicContact NE-OD2 2.67Å; R540-D542 IonicContact NH2-OD1 2.73Å; R540-D542 IonicContact NH2-OD2 2.84Å; R540-D542 PolarHBondContact NH2-OD2 2.87Å; R540-D542 VanDerWaalsContact NH2-OD2 3.09Å; D542-V552 HydrophobicContact CB-CG1 3.88Å; D542-F553 CarbonylContact C-O 3.57Å; D542-F553 WeakPolarHBondContact CA-O 3.4Å; D542-S554 WeakPolarHBondContact OD1-CB 3.47Å; D542-S554 PolarHBondContact OD1-OG 3.5Å; D542-L577 CarbonylContact O-C 3.54Å; D542-L577 WeakPolarHBondContact O-CA 3.12Å; D542-R578 HydrophobicContact CB-CG 3.75Å; D542-R578 PolarHBondContact N-O 2.87Å; D542-R578 PolarHBondContact O-N 2.78Å; D542-R578 IonicContact OD2-CZ 3.18Å; D542-R578 VanDerWaalsContact OD2-CZ 3.25Å; D542-R578 IonicContact OD2-NE 3.46Å; D542-R578 PolarHBondContact OD2-NE 2.86Å; D542-R578 IonicContact OD2-NH2 3.43Å; D542-R578 PolarHBondContact OD2-NH2 3.03Å; D542-W593 HydrophobicContact CB-CH2 4.21Å |
| 543 | Y | 92.4 | Very high | 86.1 | Confident | 46 Ų | 46 | 54.3 Ų | 54.3 | 18% | 0.18 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 151.7 | 177.4 | 73.2 | -79.7 | 0 | 0 | 0 | 113.2 | F553 V555 L566 L569 Y575 R576 | Y543-F553 HydrophobicContact CD1-CB 3.87Å; Y543-F553 HydrophobicContact CD2-CB 4.39Å; Y543-F553 HydrophobicContact CD2-CD2 4.42Å; Y543-F553 HydrophobicContact CE1-CB 3.37Å; Y543-F553 HydrophobicContact CE1-CG 4.38Å; Y543-F553 HydrophobicContact CE2-CB 3.96Å; Y543-F553 AromaticContact CE2-CD2 3.95Å; Y543-F553 HydrophobicContact CE2-CD2 3.95Å; Y543-F553 HydrophobicContact CE2-CG 4.19Å; Y543-F553 HydrophobicContact CG-CB 4.36Å; Y543-F553 VanDerWaalsContact CZ-CB 3.42Å; Y543-F553 AromaticContact CZ-CG 3.94Å; Y543-F553 PolarHBondContact N-O 3.24Å; Y543-F553 PolarHBondContact O-N 3.24Å; Y543-V555 HydrophobicContact CE1-CG2 4.04Å; Y543-L566 HydrophobicContact CD1-CD1 3.92Å; Y543-L566 HydrophobicContact CD1-CD2 3.65Å; Y543-L566 HydrophobicContact CD1-CG 4.47Å; Y543-L566 HydrophobicContact CD2-CD1 4.14Å; Y543-L566 HydrophobicContact CE1-CD2 3.51Å; Y543-L566 HydrophobicContact CE2-CD2 4.4Å; Y543-L566 HydrophobicContact CG-CD1 3.69Å; Y543-L566 HydrophobicContact CG-CD2 4.16Å; Y543-L569 HydrophobicContact CD2-CD2 4.44Å; Y543-L569 HydrophobicContact CE2-CD2 4.13Å; Y543-Y575 HydrophobicContact CD2-CD1 4.33Å; Y543-R576 CarbonylContact C-O 3.54Å; Y543-R576 VanDerWaalsContact CA-O 3.28Å; Y543-R576 WeakPolarHBondContact CA-O 3.36Å |
| 544 | S | 90 | Very high | 86.5 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 142.3 | -175.7 | 168.4 | 0 | 0 | 0 | 0 | 109.7 | Q548 K549 T551 Y575 R576 | S544-Q548 PolarHBondContact OG-O 3.36Å; S544-K549 PolarHBondContact OG-O 3.48Å; S544-T551 WeakPolarHBondContact CB-O 3.22Å; S544-T551 PolarHBondContact OG-O 3.32Å; S544-Y575 CarbonylContact O-C 3.58Å; S544-Y575 WeakPolarHBondContact O-CA 3.5Å; S544-R576 PolarHBondContact N-O 3.49Å; S544-R576 WeakPolarHBondContact O-CG 3.45Å; S544-R576 PolarHBondContact O-N 3.1Å; S544-R576 PolarHBondContact OG-NE 2.83Å |
| 545 | A | 86.6 | Confident | 86.9 | Confident | 10 Ų | 10 | 55.6 Ų | 55.6 | 8% | 0.083 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 140.1 | 174 | 0 | 0 | 0 | 0 | 0 | 109.6 | D547 Q548 K549 Q573 Y575 | A545-D547 WeakPolarHBondContact CB-OD1 3.49Å; A545-D547 PolarHBondContact O-N 3.44Å; A545-Q548 HydrophobicContact CB-CB 4.42Å; A545-Q548 CarbonylContact O-C 3.51Å; A545-Q548 WeakPolarHBondContact O-CA 3.35Å; A545-Q548 PolarHBondContact O-N 2.81Å; A545-K549 PolarHBondContact O-N 3.42Å; A545-Q573 HydrophobicContact CB-CG 4.31Å; A545-Y575 HydrophobicContact CB-CD1 4.04Å; A545-Y575 HydrophobicContact CB-CE1 3.77Å |
| 546 | L | 83.4 | Confident | 87.2 | Confident | 49 Ų | 49 | 59 Ų | 59 | 26% | 0.257 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -18.8 | -169.4 | -165.6 | 68.9 | 0 | 0 | 0 | 113.6 | K549 V574 | L546-K549 WeakPolarHBondContact O-CE 3.29Å; L546-K549 VanDerWaalsContact O-CG 3.27Å; L546-K549 WeakPolarHBondContact O-CG 3.34Å; L546-V574 HydrophobicContact CB-CB 4.02Å; L546-V574 HydrophobicContact CB-CG1 4.16Å; L546-V574 WeakPolarHBondContact CB-O 3.33Å; L546-V574 HydrophobicContact CD2-CB 4.1Å; L546-V574 HydrophobicContact CD2-CG1 3.8Å; L546-V574 PolarHBondContact N-O 3.17Å |
| 547 | D | 77.1 | Confident | 87.3 | Confident | 90 Ų | 90 | 58 Ų | 58 | 48% | 0.481 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -21 | 169.6 | 61 | -35.7 | 0 | 0 | 0 | 113.3 | A545 Q573 | A545-D547 WeakPolarHBondContact CB-OD1 3.49Å; A545-D547 PolarHBondContact O-N 3.44Å; D547-Q573 PolarHBondContact OD1-NE2 2.94Å; D547-Q573 PolarHBondContact OD2-NE2 3.34Å |
| 548 | Q | 77.6 | Confident | 87.4 | Confident | 86 Ų | 86 | 63.5 Ų | 63.5 | 40% | 0.402 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -122.6 | 52.2 | -177.9 | -60.3 | -172.6 | -13.6 | 0 | 0 | 110.6 | S544 A545 D550 T551 | S544-Q548 PolarHBondContact OG-O 3.36Å; A545-Q548 HydrophobicContact CB-CB 4.42Å; A545-Q548 CarbonylContact O-C 3.51Å; A545-Q548 WeakPolarHBondContact O-CA 3.35Å; A545-Q548 PolarHBondContact O-N 2.81Å; Q548-D550 PolarHBondContact O-N 3.33Å; Q548-D550 VanDerWaalsContact O-N 3.14Å; Q548-T551 PolarHBondContact O-N 2.88Å |
| 549 | K | 66.2 | Low | 87 | Confident | 108 Ų | 108 | 61.3 Ų | 61.3 | 47% | 0.47 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -34.1 | -171.3 | -64.5 | -179 | -175.3 | 169.5 | 0 | 113.1 | S544 A545 L546 T551 R576 | S544-K549 PolarHBondContact OG-O 3.48Å; A545-K549 PolarHBondContact O-N 3.42Å; L546-K549 WeakPolarHBondContact O-CE 3.29Å; L546-K549 VanDerWaalsContact O-CG 3.27Å; L546-K549 WeakPolarHBondContact O-CG 3.34Å; K549-T551 PolarHBondContact O-N 2.88Å; K549-R576 PolarHBondContact O-NH2 2.93Å |
| 550 | D | 74.3 | Confident | 86.8 | Confident | 167 Ų | 167 | 67.5 Ų | 67.5 | 89% | 0.893 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -16.6 | -176.2 | -54.6 | -38.9 | 0 | 0 | 0 | 113 | Q548 | Q548-D550 PolarHBondContact O-N 3.33Å; Q548-D550 VanDerWaalsContact O-N 3.14Å |
| 551 | T | 82.9 | Confident | 86.5 | Confident | 63 Ų | 63 | 67.8 Ų | 67.8 | 39% | 0.387 | 34% | 0.344 | S | S | . | . | trans | -97 | 112.1 | 174.1 | -47.6 | 0 | 0 | 0 | 0 | 110.1 | S544 Q548 K549 F553 | S544-T551 WeakPolarHBondContact CB-O 3.22Å; S544-T551 PolarHBondContact OG-O 3.32Å; Q548-T551 PolarHBondContact O-N 2.88Å; K549-T551 PolarHBondContact O-N 2.88Å; T551-F553 HydrophobicContact CG2-CD2 4.34Å; T551-F553 HydrophobicContact CG2-CE1 4.17Å; T551-F553 HydrophobicContact CG2-CE2 3.63Å; T551-F553 HydrophobicContact CG2-CZ 3.53Å | ||
| 552 | V | 86.8 | Confident | 86.2 | Confident | 60 Ų | 60 | 70.4 Ų | 70.4 | 36% | 0.364 | 36% | 0.36 | S | S | . | . | trans | -113.8 | 124.7 | 172.6 | -179.6 | 0 | 0 | 0 | 0 | 109 | D542 W593 | D542-V552 HydrophobicContact CB-CG1 3.88Å; V552-W593 HydrophobicContact CG1-CH2 4.09Å; V552-W593 HydrophobicContact CG2-CH2 4.24Å; V552-W593 HydrophobicContact CG2-CZ2 4.5Å | ||
| 553 | F | 89.6 | Confident | 86 | Confident | 102 Ų | 102 | 75.1 Ų | 75.1 | 45% | 0.447 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 144.8 | 172.7 | -59.3 | -83.1 | 0 | 0 | 0 | 109.2 | D542 Y543 T551 | D542-F553 CarbonylContact C-O 3.57Å; D542-F553 WeakPolarHBondContact CA-O 3.4Å; Y543-F553 HydrophobicContact CD1-CB 3.87Å; Y543-F553 HydrophobicContact CD2-CB 4.39Å; Y543-F553 HydrophobicContact CD2-CD2 4.42Å; Y543-F553 HydrophobicContact CE1-CB 3.37Å; Y543-F553 HydrophobicContact CE1-CG 4.38Å; Y543-F553 HydrophobicContact CE2-CB 3.96Å; Y543-F553 AromaticContact CE2-CD2 3.95Å; Y543-F553 HydrophobicContact CE2-CD2 3.95Å; Y543-F553 HydrophobicContact CE2-CG 4.19Å; Y543-F553 HydrophobicContact CG-CB 4.36Å; Y543-F553 VanDerWaalsContact CZ-CB 3.42Å; Y543-F553 AromaticContact CZ-CG 3.94Å; Y543-F553 PolarHBondContact N-O 3.24Å; Y543-F553 PolarHBondContact O-N 3.24Å; T551-F553 HydrophobicContact CG2-CD2 4.34Å; T551-F553 HydrophobicContact CG2-CE1 4.17Å; T551-F553 HydrophobicContact CG2-CE2 3.63Å; T551-F553 HydrophobicContact CG2-CZ 3.53Å |
| 554 | S | 92.3 | Very high | 85.9 | Confident | 68 Ų | 68 | 75.2 Ų | 75.2 | 48% | 0.476 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 138.4 | 179.6 | -64.6 | 0 | 0 | 0 | 0 | 110.8 | V541 D542 | V541-S554 CarbonylContact O-C 3.19Å; V541-S554 WeakPolarHBondContact O-CA 3.42Å; D542-S554 WeakPolarHBondContact OD1-CB 3.47Å; D542-S554 PolarHBondContact OD1-OG 3.5Å |
| 555 | V | 93.3 | Very high | 85.9 | Confident | 41 Ų | 41 | 77.4 Ų | 77.4 | 25% | 0.248 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 127.1 | 173.2 | -174 | 0 | 0 | 0 | 0 | 109.1 | R540 V541 Y543 L557 F564 L566 | R540-V555 CarbonylContact C-O 3.49Å; R540-V555 VanDerWaalsContact CA-O 3.31Å; R540-V555 WeakPolarHBondContact CA-O 3.35Å; V541-V555 PolarHBondContact N-O 3.38Å; V541-V555 PolarHBondContact O-N 2.87Å; Y543-V555 HydrophobicContact CE1-CG2 4.04Å; V555-L557 HydrophobicContact CG1-CD2 4.01Å; V555-F564 HydrophobicContact CB-CE1 4.25Å; V555-F564 HydrophobicContact CB-CZ 4.33Å; V555-F564 HydrophobicContact CG1-CE1 4.15Å; V555-F564 HydrophobicContact CG1-CE2 4.37Å; V555-F564 HydrophobicContact CG1-CZ 3.76Å; V555-F564 HydrophobicContact CG2-CE1 4.3Å; V555-F564 HydrophobicContact CG2-CZ 4.4Å; V555-L566 HydrophobicContact CG2-CD2 4.36Å |
| 556 | E | 93.3 | Very high | 86.1 | Confident | 119 Ų | 119 | 77.2 Ų | 77.2 | 56% | 0.556 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 141.5 | 175.2 | -65.5 | -168.5 | -164.6 | 0 | 0 | 111.8 | Y539 R540 F587 | Y539-E556 CarbonylContact O-C 3.57Å; Y539-E556 WeakPolarHBondContact O-CA 3.18Å; R540-E556 HydrophobicContact CB-CG 4.33Å; R540-E556 HydrophobicContact CG-CG 3.99Å; E556-F587 VanDerWaalsContact CD-CE2 3.46Å; E556-F587 VanDerWaalsContact CD-CZ 3.43Å; E556-F587 HydrophobicContact CG-CE2 4.25Å; E556-F587 HydrophobicContact CG-CZ 3.83Å; E556-F587 VanDerWaalsContact OE1-CE2 3.25Å; E556-F587 WeakPolarHBondContact OE1-CE2 3.45Å; E556-F587 WeakPolarHBondContact OE2-CZ 3.31Å |
| 557 | L | 92.8 | Very high | 86.3 | Confident | 18 Ų | 18 | 83.4 Ų | 83.4 | 9% | 0.094 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 159.1 | -170.1 | -55.8 | 176.6 | 0 | 0 | 0 | 109.9 | W524 R538 Y539 V541 V555 F564 | W524-L557 HydrophobicContact CH2-CD1 3.6Å; W524-L557 HydrophobicContact CZ2-CD1 4.1Å; R538-L557 CarbonylContact C-O 3.56Å; R538-L557 WeakPolarHBondContact CA-O 3.33Å; R538-L557 VanDerWaalsContact CB-O 3.32Å; R538-L557 WeakPolarHBondContact CB-O 3.37Å; Y539-L557 PolarHBondContact N-O 2.8Å; Y539-L557 PolarHBondContact O-N 2.81Å; V541-L557 HydrophobicContact CG2-CD1 3.87Å; V555-L557 HydrophobicContact CG1-CD2 4.01Å; L557-F564 HydrophobicContact CD1-CB 3.67Å; L557-F564 HydrophobicContact CD1-CD1 4.27Å; L557-F564 HydrophobicContact CD1-CD2 4.06Å; L557-F564 HydrophobicContact CD1-CG 3.75Å; L557-F564 HydrophobicContact CD2-CD2 3.56Å; L557-F564 HydrophobicContact CD2-CE2 3.73Å; L557-F564 HydrophobicContact CD2-CG 4.08Å; L557-F564 HydrophobicContact CD2-CZ 4.36Å; L557-F564 HydrophobicContact CG-CD2 4.48Å |
| 558 | R | 91.6 | Very high | 86.7 | Confident | 185 Ų | 185 | 88 Ų | 88 | 70% | 0.698 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 149.4 | 179.3 | -64.2 | 175.2 | 173.5 | 159.3 | -1.6 | 111.7 | N560 E561 | R558-N560 VanDerWaalsContact CB-OD1 3.24Å; R558-N560 WeakPolarHBondContact CB-OD1 3.31Å; R558-N560 PolarHBondContact O-N 2.9Å; R558-N560 VanDerWaalsContact O-N 3.09Å; R558-E561 HydrophobicContact CB-CG 4.28Å; R558-E561 WeakPolarHBondContact CB-OE1 3.34Å; R558-E561 PolarHBondContact N-OE1 3.32Å; R558-E561 WeakPolarHBondContact O-CB 3.37Å; R558-E561 PolarHBondContact O-N 2.9Å |
| 559 | G | 85 | Confident | 87.2 | Confident | 19 Ų | 19 | 84.2 Ų | 84.2 | 20% | 0.196 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -12.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | T537 Y539 | T537-G559 WeakPolarHBondContact O-CA 3.37Å; T537-G559 PolarHBondContact O-N 3.06Å; Y539-G559 WeakPolarHBondContact CE2-O 3.36Å |
| 560 | N | 87.6 | Confident | 88.1 | Confident | 133 Ų | 133 | 85.9 Ų | 85.9 | 71% | 0.711 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -3.4 | 172.6 | 65.4 | -23.8 | 0 | 0 | 0 | 113.7 | R558 | R558-N560 VanDerWaalsContact CB-OD1 3.24Å; R558-N560 WeakPolarHBondContact CB-OD1 3.31Å; R558-N560 PolarHBondContact O-N 2.9Å; R558-N560 VanDerWaalsContact O-N 3.09Å |
| 561 | E | 87.4 | Confident | 88.5 | Confident | 59 Ų | 59 | 80.5 Ų | 80.5 | 28% | 0.276 | 39% | 0.393 | S | S | . | . | trans | -82.9 | 137.1 | 177.4 | -63.7 | 176.3 | -137.6 | 0 | 0 | 111.3 | W524 Y539 R558 | W524-E561 HydrophobicContact CZ2-CB 4.36Å; W524-E561 VanDerWaalsContact CZ2-O 3.29Å; W524-E561 WeakPolarHBondContact CZ2-O 3Å; W524-E561 PolarHBondContact NE1-O 3.34Å; Y539-E561 WeakPolarHBondContact CE2-O 3.45Å; R558-E561 HydrophobicContact CB-CG 4.28Å; R558-E561 WeakPolarHBondContact CB-OE1 3.34Å; R558-E561 PolarHBondContact N-OE1 3.32Å; R558-E561 WeakPolarHBondContact O-CB 3.37Å; R558-E561 PolarHBondContact O-N 2.9Å | ||
| 562 | T | 87.2 | Confident | 88.5 | Confident | 54 Ų | 54 | 81.4 Ų | 81.4 | 33% | 0.331 | 40% | 0.396 | S | S | . | . | trans | -124.7 | 3.3 | 179.7 | 52 | 0 | 0 | 0 | 0 | 113.1 | V523 W524 P526 | V523-T562 WeakPolarHBondContact CA-O 3.47Å; W524-T562 PolarHBondContact N-O 3.45Å; P526-T562 HydrophobicContact CG-CG2 3.68Å | ||
| 563 | Q | 88.4 | Confident | 88.4 | Confident | 101 Ų | 101 | 80.7 Ų | 80.7 | 47% | 0.472 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 146.4 | -178.9 | 58.9 | 175.5 | 7.1 | 0 | 0 | 110.4 | L522 V523 | L522-Q563 VanDerWaalsContact O-CA 3.28Å; L522-Q563 WeakPolarHBondContact O-CA 3.42Å; V523-Q563 HydrophobicContact CG2-CB 4.21Å |
| 564 | F | 90.6 | Very high | 88.2 | Confident | 48 Ų | 48 | 77.6 Ų | 77.6 | 21% | 0.211 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 150.9 | 176.5 | 179.5 | -113.7 | 0 | 0 | 0 | 110.5 | R521 L522 W524 V541 V555 L557 L566 | R521-F564 WeakPolarHBondContact CA-O 3.47Å; L522-F564 HydrophobicContact CD1-CD1 4.38Å; L522-F564 PolarHBondContact N-O 3.21Å; L522-F564 PolarHBondContact O-N 2.94Å; W524-F564 HydrophobicContact CH2-CB 3.74Å; W524-F564 HydrophobicContact CZ3-CB 3.89Å; V541-F564 HydrophobicContact CG2-CD1 4.33Å; V555-F564 HydrophobicContact CB-CE1 4.25Å; V555-F564 HydrophobicContact CB-CZ 4.33Å; V555-F564 HydrophobicContact CG1-CE1 4.15Å; V555-F564 HydrophobicContact CG1-CE2 4.37Å; V555-F564 HydrophobicContact CG1-CZ 3.76Å; V555-F564 HydrophobicContact CG2-CE1 4.3Å; V555-F564 HydrophobicContact CG2-CZ 4.4Å; L557-F564 HydrophobicContact CD1-CB 3.67Å; L557-F564 HydrophobicContact CD1-CD1 4.27Å; L557-F564 HydrophobicContact CD1-CD2 4.06Å; L557-F564 HydrophobicContact CD1-CG 3.75Å; L557-F564 HydrophobicContact CD2-CD2 3.56Å; L557-F564 HydrophobicContact CD2-CE2 3.73Å; L557-F564 HydrophobicContact CD2-CG 4.08Å; L557-F564 HydrophobicContact CD2-CZ 4.36Å; L557-F564 HydrophobicContact CG-CD2 4.48Å; F564-L566 HydrophobicContact CD1-CG 4.35Å; F564-L566 HydrophobicContact CE1-CD2 3.67Å; F564-L566 HydrophobicContact CE1-CG 3.92Å; F564-L566 HydrophobicContact CZ-CD2 4.48Å |
| 565 | T | 90.6 | Very high | 88.1 | Confident | 45 Ų | 45 | 75.2 Ų | 75.2 | 28% | 0.276 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 110.8 | 177.9 | -57.9 | 0 | 0 | 0 | 0 | 109.6 | D519 I520 R567 | D519-T565 HydrophobicContact CB-CG2 4.16Å; I520-T565 CarbonylContact O-C 3.52Å; I520-T565 WeakPolarHBondContact O-CA 3.48Å; T565-R567 HydrophobicContact CG2-CG 4.23Å |
| 566 | L | 90.6 | Very high | 87.9 | Confident | 7 Ų | 7 | 75.7 Ų | 75.7 | 4% | 0.037 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 136.3 | 164.7 | -72.4 | 168.4 | 0 | 0 | 0 | 108.9 | D519 I520 L522 Y543 V555 F564 L569 L577 | D519-L566 VanDerWaalsContact CA-O 3.25Å; D519-L566 WeakPolarHBondContact CA-O 3.39Å; I520-L566 PolarHBondContact N-O 2.8Å; I520-L566 PolarHBondContact O-N 2.89Å; L522-L566 HydrophobicContact CD1-CD1 4.02Å; L522-L566 HydrophobicContact CD1-CG 4.09Å; Y543-L566 HydrophobicContact CD1-CD1 3.92Å; Y543-L566 HydrophobicContact CD1-CD2 3.65Å; Y543-L566 HydrophobicContact CD1-CG 4.47Å; Y543-L566 HydrophobicContact CD2-CD1 4.14Å; Y543-L566 HydrophobicContact CE1-CD2 3.51Å; Y543-L566 HydrophobicContact CE2-CD2 4.4Å; Y543-L566 HydrophobicContact CG-CD1 3.69Å; Y543-L566 HydrophobicContact CG-CD2 4.16Å; V555-L566 HydrophobicContact CG2-CD2 4.36Å; F564-L566 HydrophobicContact CD1-CG 4.35Å; F564-L566 HydrophobicContact CE1-CD2 3.67Å; F564-L566 HydrophobicContact CE1-CG 3.92Å; F564-L566 HydrophobicContact CZ-CD2 4.48Å; L566-L569 HydrophobicContact CB-CD1 4.07Å; L566-L569 HydrophobicContact CB-CD2 4.46Å; L566-L569 HydrophobicContact CB-CG 4.47Å; L566-L577 HydrophobicContact CD1-CD2 3.53Å; L566-L577 HydrophobicContact CD1-CG 4.48Å |
| 567 | R | 87.4 | Confident | 87.8 | Confident | 178 Ų | 178 | 70 Ų | 70 | 67% | 0.672 | 33% | 0.329 | S | S | * | . | trans | -125.5 | 173.2 | -178.6 | -58.4 | -175.6 | -174.6 | -165.5 | 0.1 | 110 | T518 D519 T565 L569 | T518-R567 CarbonylContact O-C 3.57Å; D519-R567 WeakPolarHBondContact OD1-CA 3.45Å; T565-R567 HydrophobicContact CG2-CG 4.23Å; R567-L569 PolarHBondContact O-N 2.99Å; R567-L569 VanDerWaalsContact O-N 3.15Å | ||
| 568 | E | 86.1 | Confident | 87.8 | Confident | 186 Ų | 186 | 71.9 Ų | 71.9 | 87% | 0.869 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 61.1 | 23 | 174.1 | -56.9 | 177.1 | -165.9 | 0 | 0 | 114 | T518 | T518-E568 PolarHBondContact O-N 2.88Š|
| 569 | L | 87.6 | Confident | 87.8 | Confident | 8 Ų | 8 | 63.1 Ų | 63.1 | 4% | 0.042 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 156.9 | 175.6 | -53.6 | 177.7 | 0 | 0 | 0 | 111.1 | T518 I520 Y543 L566 R567 Y575 T598 | T518-L569 WeakPolarHBondContact CA-O 3.14Å; T518-L569 WeakPolarHBondContact O-CA 3.09Å; T518-L569 WeakPolarHBondContact O-CB 3.33Å; T518-L569 WeakPolarHBondContact O-CG 3.26Å; T518-L569 PolarHBondContact O-N 2.9Å; I520-L569 HydrophobicContact CB-CD1 3.86Å; I520-L569 HydrophobicContact CD1-CD1 3.63Å; I520-L569 HydrophobicContact CG1-CD1 3.64Å; Y543-L569 HydrophobicContact CD2-CD2 4.44Å; Y543-L569 HydrophobicContact CE2-CD2 4.13Å; L566-L569 HydrophobicContact CB-CD1 4.07Å; L566-L569 HydrophobicContact CB-CD2 4.46Å; L566-L569 HydrophobicContact CB-CG 4.47Å; R567-L569 PolarHBondContact O-N 2.99Å; R567-L569 VanDerWaalsContact O-N 3.15Å; L569-Y575 HydrophobicContact CB-CE2 3.72Å; L569-Y575 HydrophobicContact CD1-CD2 4.31Å; L569-Y575 HydrophobicContact CD1-CE2 4.29Å; L569-Y575 HydrophobicContact CD2-CD1 4.43Å; L569-Y575 HydrophobicContact CD2-CE1 3.93Å; L569-Y575 HydrophobicContact CD2-CE2 4.3Å; L569-Y575 HydrophobicContact CG-CE2 4.34Å; L569-T598 HydrophobicContact CB-CG2 4.01Å; L569-T598 HydrophobicContact CD1-CG2 4.19Å |
| 570 | R | 84.1 | Confident | 88.2 | Confident | 142 Ų | 142 | 62.2 Ų | 62.2 | 54% | 0.536 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 132.6 | 176.9 | -66.9 | -178.3 | 179.9 | -179.7 | -0.4 | 110.4 | Q573 Y575 T598 | R570-Q573 HydrophobicContact CB-CB 3.88Å; R570-Q573 HydrophobicContact CB-CG 4.42Å; R570-Q573 WeakPolarHBondContact O-CB 3.49Å; R570-Y575 PolarHBondContact N-OH 3.05Å; R570-T598 PolarHBondContact O-OG1 2.95Å |
| 571 | P | 83.6 | Confident | 88.4 | Confident | 55 Ų | 55 | 55.9 Ų | 55.9 | 36% | 0.357 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 147.9 | 171.3 | -24.4 | 34.9 | 0 | 0 | 0 | 113.2 | P517 T518 Q573 R601 | P517-P571 HydrophobicContact CB-CB 4.16Å; P517-P571 HydrophobicContact CB-CG 4.24Å; P517-P571 WeakPolarHBondContact O-CA 3.38Å; T518-P571 HydrophobicContact CG2-CG 4.32Å; P571-Q573 PolarHBondContact O-N 2.87Å; P571-Q573 VanDerWaalsContact O-N 3.17Å; P571-R601 HydrophobicContact CB-CB 4.33Å |
| 572 | N | 82.8 | Confident | 88.5 | Confident | 82 Ų | 82 | 53 Ų | 53 | 44% | 0.439 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 16 | -177.5 | -165.9 | 34.1 | 0 | 0 | 0 | 115.6 | Q597 T598 V599 V600 | N572-Q597 PolarHBondContact OD1-NE2 3.14Å; N572-T598 WeakPolarHBondContact CA-O 3.27Å; N572-T598 PolarHBondContact N-OG1 2.86Å; N572-V599 PolarHBondContact N-O 2.87Å; N572-V600 HydrophobicContact CB-CG2 4.19Å; N572-V600 WeakPolarHBondContact OD1-CG2 3.46Å |
| 573 | Q | 84.1 | Confident | 88.7 | Confident | 44 Ų | 44 | 50.5 Ų | 50.5 | 21% | 0.206 | 23% | 0.23 | C | C | . | . | trans | -98.2 | 140.2 | -178.2 | -166.3 | 59.4 | 26 | 0 | 0 | 111.3 | A545 D547 R570 P571 Y575 Q597 T598 | A545-Q573 HydrophobicContact CB-CG 4.31Å; D547-Q573 PolarHBondContact OD1-NE2 2.94Å; D547-Q573 PolarHBondContact OD2-NE2 3.34Å; R570-Q573 HydrophobicContact CB-CB 3.88Å; R570-Q573 HydrophobicContact CB-CG 4.42Å; R570-Q573 WeakPolarHBondContact O-CB 3.49Å; P571-Q573 PolarHBondContact O-N 2.87Å; P571-Q573 VanDerWaalsContact O-N 3.17Å; Q573-Y575 HydrophobicContact CB-CD2 4.37Å; Q573-Y575 HydrophobicContact CB-CE2 3.75Å; Q573-Y575 HydrophobicContact CG-CD2 4.48Å; Q573-Y575 HydrophobicContact CG-CE2 3.95Å; Q573-Q597 WeakPolarHBondContact O-CA 3.37Å; Q573-T598 PolarHBondContact N-OG1 2.83Å; Q573-T598 PolarHBondContact O-N 3.28Å; Q573-T598 PolarHBondContact O-OG1 2.89Å | ||
| 574 | V | 86.4 | Confident | 88.7 | Confident | 37 Ų | 37 | 49.4 Ų | 49.4 | 22% | 0.224 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 123.1 | 172.8 | -172.5 | 0 | 0 | 0 | 0 | 109.3 | L546 Q595 Q597 | L546-V574 HydrophobicContact CB-CB 4.02Å; L546-V574 HydrophobicContact CB-CG1 4.16Å; L546-V574 WeakPolarHBondContact CB-O 3.33Å; L546-V574 HydrophobicContact CD2-CB 4.1Å; L546-V574 HydrophobicContact CD2-CG1 3.8Å; L546-V574 PolarHBondContact N-O 3.17Å; V574-Q595 HydrophobicContact CG1-CB 4.37Å; V574-Q597 HydrophobicContact CG2-CB 4.1Å; V574-Q597 HydrophobicContact CG2-CG 3.91Å |
| 575 | Y | 89.3 | Confident | 88.6 | Confident | 19 Ų | 19 | 51.2 Ų | 51.2 | 8% | 0.075 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 147.8 | 171.9 | -71.5 | -91.3 | 0 | 0 | 0 | 110.3 | I520 Y543 S544 A545 L569 R570 Q573 Q595 Q596 T598 | I520-Y575 HydrophobicContact CD1-CD2 4.13Å; I520-Y575 HydrophobicContact CD1-CG 4.42Å; Y543-Y575 HydrophobicContact CD2-CD1 4.33Å; S544-Y575 CarbonylContact O-C 3.58Å; S544-Y575 WeakPolarHBondContact O-CA 3.5Å; A545-Y575 HydrophobicContact CB-CD1 4.04Å; A545-Y575 HydrophobicContact CB-CE1 3.77Å; L569-Y575 HydrophobicContact CB-CE2 3.72Å; L569-Y575 HydrophobicContact CD1-CD2 4.31Å; L569-Y575 HydrophobicContact CD1-CE2 4.29Å; L569-Y575 HydrophobicContact CD2-CD1 4.43Å; L569-Y575 HydrophobicContact CD2-CE1 3.93Å; L569-Y575 HydrophobicContact CD2-CE2 4.3Å; L569-Y575 HydrophobicContact CG-CE2 4.34Å; R570-Y575 PolarHBondContact N-OH 3.05Å; Q573-Y575 HydrophobicContact CB-CD2 4.37Å; Q573-Y575 HydrophobicContact CB-CE2 3.75Å; Q573-Y575 HydrophobicContact CG-CD2 4.48Å; Q573-Y575 HydrophobicContact CG-CE2 3.95Å; Y575-Q595 CarbonylContact O-C 3.55Å; Y575-Q595 WeakPolarHBondContact O-CA 3.38Å; Y575-Q596 PolarHBondContact N-O 3.24Å; Y575-Q596 PolarHBondContact O-N 3.03Å; Y575-T598 HydrophobicContact CD2-CG2 4.13Å; Y575-T598 HydrophobicContact CE2-CG2 4.08Å |
| 576 | R | 89.3 | Confident | 88.5 | Confident | 50 Ų | 50 | 49.7 Ų | 49.7 | 19% | 0.189 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 136.6 | 163.8 | 61.1 | 175.2 | -176.9 | 158.9 | 1.9 | 109 | Y543 S544 K549 W593 V594 Q595 | Y543-R576 CarbonylContact C-O 3.54Å; Y543-R576 VanDerWaalsContact CA-O 3.28Å; Y543-R576 WeakPolarHBondContact CA-O 3.36Å; S544-R576 PolarHBondContact N-O 3.49Å; S544-R576 WeakPolarHBondContact O-CG 3.45Å; S544-R576 PolarHBondContact O-N 3.1Å; S544-R576 PolarHBondContact OG-NE 2.83Å; K549-R576 PolarHBondContact O-NH2 2.93Å; R576-W593 HydrophobicContact CB-CD2 4.31Å; R576-W593 HydrophobicContact CB-CE3 3.69Å; R576-W593 HydrophobicContact CB-CZ3 4.22Å; R576-W593 HydrophobicContact CG-CD2 4.25Å; R576-W593 HydrophobicContact CG-CE3 3.67Å; R576-W593 HydrophobicContact CG-CH2 4.41Å; R576-W593 HydrophobicContact CG-CZ3 3.76Å; R576-V594 CarbonylContact C-O 3.55Å; R576-V594 WeakPolarHBondContact CA-O 3.41Å; R576-Q595 HydrophobicContact CB-CG 4.39Å |
| 577 | L | 91.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 145.5 | -175.1 | -55.5 | 88.2 | 0 | 0 | 0 | 110.4 | V512 I520 L522 D542 L566 V594 Q596 | V512-L577 HydrophobicContact CG1-CD1 4.21Å; V512-L577 HydrophobicContact CG1-CD2 4.13Å; I520-L577 HydrophobicContact CD1-CD1 4.46Å; I520-L577 HydrophobicContact CG2-CD2 3.79Å; L522-L577 HydrophobicContact CD1-CD2 3.85Å; L522-L577 HydrophobicContact CD2-CB 4.31Å; L522-L577 HydrophobicContact CD2-CD2 3.85Å; L522-L577 HydrophobicContact CG-CD2 3.97Å; D542-L577 CarbonylContact O-C 3.54Å; D542-L577 WeakPolarHBondContact O-CA 3.12Å; L566-L577 HydrophobicContact CD1-CD2 3.53Å; L566-L577 HydrophobicContact CD1-CG 4.48Å; L577-V594 PolarHBondContact N-O 2.8Å; L577-V594 PolarHBondContact O-N 3Å; L577-Q596 HydrophobicContact CD1-CB 4.17Å |
| 578 | R | 91.4 | Very high | 88.5 | Confident | 58 Ų | 58 | 43.5 Ų | 43.5 | 22% | 0.219 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 165.2 | 171.3 | 64.9 | 179.9 | -166.3 | -172.7 | -3.9 | 110.8 | V541 D542 P590 S591 W593 | V541-R578 WeakPolarHBondContact CA-O 3.5Å; D542-R578 HydrophobicContact CB-CG 3.75Å; D542-R578 PolarHBondContact N-O 2.87Å; D542-R578 PolarHBondContact O-N 2.78Å; D542-R578 IonicContact OD2-CZ 3.18Å; D542-R578 VanDerWaalsContact OD2-CZ 3.25Å; D542-R578 IonicContact OD2-NE 3.46Å; D542-R578 PolarHBondContact OD2-NE 2.86Å; D542-R578 IonicContact OD2-NH2 3.43Å; D542-R578 PolarHBondContact OD2-NH2 3.03Å; R578-P590 HydrophobicContact CG-CB 4.21Å; R578-S591 WeakPolarHBondContact CA-OG 3.37Å; R578-S591 WeakPolarHBondContact CB-O 3.39Å; R578-S591 WeakPolarHBondContact CB-OG 3.37Å; R578-W593 HydrophobicContact CB-CD2 4.36Å; R578-W593 HydrophobicContact CB-CE3 4.07Å; R578-W593 HydrophobicContact CB-CZ3 4.43Å; R578-W593 HydrophobicContact CG-CD2 4.18Å; R578-W593 HydrophobicContact CG-CE3 3.89Å; R578-W593 HydrophobicContact CG-CH2 4.06Å; R578-W593 HydrophobicContact CG-CZ2 4.31Å; R578-W593 HydrophobicContact CG-CZ3 3.83Å |
| 579 | I | 93.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 138.5 | 180 | -170.2 | 170.8 | 0 | 0 | 0 | 112.4 | P507 L510 W524 Y539 R540 V541 P590 S591 | P507-I579 HydrophobicContact CB-CG2 4Å; P507-I579 WeakPolarHBondContact CD-O 3.27Å; P507-I579 HydrophobicContact CG-CG2 4.1Å; L510-I579 HydrophobicContact CB-CG2 4.3Å; L510-I579 HydrophobicContact CD1-CB 4.48Å; L510-I579 HydrophobicContact CD1-CG2 4.01Å; L510-I579 HydrophobicContact CD2-CB 4.45Å; L510-I579 HydrophobicContact CD2-CG2 4.1Å; L510-I579 HydrophobicContact CG-CG2 4.36Å; W524-I579 HydrophobicContact CB-CD1 4.49Å; W524-I579 HydrophobicContact CD2-CD1 3.27Å; W524-I579 HydrophobicContact CE3-CD1 3.6Å; W524-I579 HydrophobicContact CG-CD1 3.71Å; W524-I579 HydrophobicContact CH2-CD1 4.06Å; W524-I579 HydrophobicContact CZ2-CD1 3.77Å; W524-I579 HydrophobicContact CZ3-CD1 3.98Å; Y539-I579 HydrophobicContact CD1-CD1 3.8Å; Y539-I579 HydrophobicContact CD1-CG1 4.1Å; Y539-I579 HydrophobicContact CG-CD1 4.23Å; R540-I579 CarbonylContact O-C 3.56Å; R540-I579 WeakPolarHBondContact O-CA 3.42Å; V541-I579 HydrophobicContact CG2-CD1 4.32Å; V541-I579 HydrophobicContact CG2-CG1 4.32Å; I579-P590 CarbonylContact O-C 3.55Å; I579-P590 WeakPolarHBondContact O-CA 3.42Å; I579-S591 PolarHBondContact N-OG 2.8Å; I579-S591 PolarHBondContact O-N 2.92Å |
| 580 | A | 92.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 145.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y539 R540 F587 P590 | Y539-A580 CarbonylContact C-O 3.57Å; Y539-A580 VanDerWaalsContact CA-O 3.31Å; Y539-A580 WeakPolarHBondContact CA-O 3.46Å; R540-A580 PolarHBondContact N-O 2.97Å; R540-A580 PolarHBondContact O-N 2.91Å; A580-F587 HydrophobicContact CB-CD1 4.47Å; A580-P590 HydrophobicContact CB-CB 4.08Å |
| 581 | A | 92 | Very high | 89.1 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 158.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | P504 P507 L527 V536 Y539 F587 G588 | P504-A581 HydrophobicContact CB-CB 3.8Å; P504-A581 HydrophobicContact CG-CB 3.88Å; P507-A581 HydrophobicContact CG-CB 4.39Å; L527-A581 HydrophobicContact CD1-CB 3.78Å; L527-A581 HydrophobicContact CD2-CB 3.73Å; L527-A581 HydrophobicContact CG-CB 4.45Å; V536-A581 HydrophobicContact CG1-CB 4.24Å; Y539-A581 HydrophobicContact CD1-CB 3.85Å; Y539-A581 HydrophobicContact CE1-CB 3.62Å; A581-F587 WeakPolarHBondContact O-CA 3.49Å; A581-G588 PolarHBondContact O-N 2.84Å |
| 582 | G | 90.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 141.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | T537 R538 G586 | T537-G582 PolarHBondContact N-O 2.79Å; T537-G582 PolarHBondContact OG1-O 3.14Å; R538-G582 PolarHBondContact N-O 3.5Å; R538-G582 PolarHBondContact O-N 3.47Å; G582-G586 CarbonylContact C-O 3.53Å; G582-G586 WeakPolarHBondContact CA-O 3.25Å |
| 583 | T | 91.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -103 | -176.1 | 175.6 | 49.6 | 0 | 0 | 0 | 0 | 110.6 | D502 P504 S532 A535 R538 V585 G586 | D502-T583 WeakPolarHBondContact O-CB 3.47Å; D502-T583 WeakPolarHBondContact O-CG2 3.47Å; D502-T583 PolarHBondContact O-OG1 2.93Å; P504-T583 HydrophobicContact CG-CG2 3.77Å; S532-T583 WeakPolarHBondContact O-CG2 3.11Å; A535-T583 WeakPolarHBondContact O-CA 3.4Å; R538-T583 PolarHBondContact NH1-O 2.9Å; R538-T583 PolarHBondContact NH2-O 2.99Å; T583-V585 PolarHBondContact O-N 2.8Å; T583-G586 PolarHBondContact N-O 2.93Å; T583-G586 PolarHBondContact O-N 2.93Å | ||
| 584 | A | 86.6 | Confident | 89.6 | Confident | 79 Ų | 79 | 39.1 Ų | 39.1 | 65% | 0.653 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -57 | -31.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E501 | E501-A584 WeakPolarHBondContact OE2-CB 3.45Å; E501-A584 PolarHBondContact OE2-N 3.42Å; E501-A584 VanDerWaalsContact OE2-N 3.15Å |
| 585 | V | 89 | Confident | 89.7 | Confident | 86 Ų | 86 | 43.2 Ų | 43.2 | 52% | 0.521 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -66.3 | -45.7 | 178.7 | -174.2 | 0 | 0 | 0 | 0 | 113.2 | E501 V503 T583 | E501-V585 HydrophobicContact CB-CG2 3.75Å; V503-V585 HydrophobicContact CG1-CB 4.22Å; V503-V585 HydrophobicContact CG1-CG1 3.88Å; T583-V585 PolarHBondContact O-N 2.8Å |
| 586 | G | 87.7 | Confident | 89.5 | Confident | 13 Ų | 13 | 44.7 Ų | 44.7 | 13% | 0.134 | 24% | 0.239 | C | C | . | . | trans | 166.8 | 179.8 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | G582 T583 | G582-G586 CarbonylContact C-O 3.53Å; G582-G586 WeakPolarHBondContact CA-O 3.25Å; T583-G586 PolarHBondContact N-O 2.93Å; T583-G586 PolarHBondContact O-N 2.93Å | ||
| 587 | F | 90.3 | Very high | 89.2 | Confident | 45 Ų | 45 | 46.9 Ų | 46.9 | 20% | 0.197 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -82 | 133.8 | 169.6 | -74.6 | -72.5 | 0 | 0 | 0 | 110.9 | R538 R540 E556 A580 A581 | R538-F587 HydrophobicContact CB-CE1 4.33Å; R538-F587 HydrophobicContact CB-CZ 4.38Å; R538-F587 HydrophobicContact CG-CD1 4.5Å; R538-F587 HydrophobicContact CG-CE1 3.6Å; R538-F587 HydrophobicContact CG-CZ 3.64Å; R538-F587 VanDerWaalsContact NE-CE2 3.35Å; R538-F587 VanDerWaalsContact NE-CZ 3.3Å; R540-F587 HydrophobicContact CB-CD1 3.95Å; R540-F587 HydrophobicContact CB-CE1 3.59Å; R540-F587 HydrophobicContact CB-CZ 3.89Å; E556-F587 VanDerWaalsContact CD-CE2 3.46Å; E556-F587 VanDerWaalsContact CD-CZ 3.43Å; E556-F587 HydrophobicContact CG-CE2 4.25Å; E556-F587 HydrophobicContact CG-CZ 3.83Å; E556-F587 VanDerWaalsContact OE1-CE2 3.25Å; E556-F587 WeakPolarHBondContact OE1-CE2 3.45Å; E556-F587 WeakPolarHBondContact OE2-CZ 3.31Å; A580-F587 HydrophobicContact CB-CD1 4.47Å; A581-F587 WeakPolarHBondContact O-CA 3.49Å |
| 588 | G | 88.5 | Confident | 88.7 | Confident | 9 Ų | 9 | 47 Ų | 47 | 9% | 0.093 | 25% | 0.252 | C | S | . | . | trans | -76.2 | -174.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | P504 A581 | P504-G588 WeakPolarHBondContact O-CA 3.2Å; A581-G588 PolarHBondContact O-N 2.84Å | ||
| 589 | V | 90.2 | Very high | 88 | Confident | 92 Ų | 92 | 47.3 Ų | 47.3 | 56% | 0.558 | 26% | 0.26 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 130.2 | 172.9 | -174.8 | 0 | 0 | 0 | 0 | 108.6 | P504 A506 | P504-V589 PolarHBondContact O-N 2.82Å; A506-V589 VanDerWaalsContact CA-O 3.29Å; A506-V589 WeakPolarHBondContact CA-O 3.42Å; A506-V589 HydrophobicContact CB-CB 4.29Å; A506-V589 HydrophobicContact CB-CG1 4.19Å |
| 590 | P | 89.4 | Confident | 86.9 | Confident | 33 Ų | 33 | 51.5 Ų | 51.5 | 21% | 0.214 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -74 | 158.9 | 175.5 | 31.2 | -35.1 | 0 | 0 | 0 | 111.4 | R578 I579 A580 | R578-P590 HydrophobicContact CG-CB 4.21Å; I579-P590 CarbonylContact O-C 3.55Å; I579-P590 WeakPolarHBondContact O-CA 3.42Å; A580-P590 HydrophobicContact CB-CB 4.08Å |
| 591 | S | 90.3 | Very high | 85.1 | Confident | 11 Ų | 11 | 61.5 Ų | 61.5 | 8% | 0.077 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -61 | 165.5 | 170.8 | 75.4 | 0 | 0 | 0 | 0 | 112 | R578 I579 | R578-S591 WeakPolarHBondContact CA-OG 3.37Å; R578-S591 WeakPolarHBondContact CB-O 3.39Å; R578-S591 WeakPolarHBondContact CB-OG 3.37Å; I579-S591 PolarHBondContact N-OG 2.8Å; I579-S591 PolarHBondContact O-N 2.92Å |
| 592 | E | 87.1 | Confident | 83.2 | Confident | 166 Ų | 166 | 66.5 Ų | 66.5 | 78% | 0.776 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -56 | 153.1 | 165 | -71.8 | -57.7 | 145.5 | 0 | 0 | 112.1 | V594 | E592-V594 PolarHBondContact O-N 2.85Š|
| 593 | W | 87 | Confident | 81.2 | Confident | 77 Ų | 77 | 69.3 Ų | 69.3 | 29% | 0.292 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 116.6 | 177.9 | -74 | 106 | 0 | 0 | 0 | 111.3 | D542 V552 R576 R578 | D542-W593 HydrophobicContact CB-CH2 4.21Å; V552-W593 HydrophobicContact CG1-CH2 4.09Å; V552-W593 HydrophobicContact CG2-CH2 4.24Å; V552-W593 HydrophobicContact CG2-CZ2 4.5Å; R576-W593 HydrophobicContact CB-CD2 4.31Å; R576-W593 HydrophobicContact CB-CE3 3.69Å; R576-W593 HydrophobicContact CB-CZ3 4.22Å; R576-W593 HydrophobicContact CG-CD2 4.25Å; R576-W593 HydrophobicContact CG-CE3 3.67Å; R576-W593 HydrophobicContact CG-CH2 4.41Å; R576-W593 HydrophobicContact CG-CZ3 3.76Å; R578-W593 HydrophobicContact CB-CD2 4.36Å; R578-W593 HydrophobicContact CB-CE3 4.07Å; R578-W593 HydrophobicContact CB-CZ3 4.43Å; R578-W593 HydrophobicContact CG-CD2 4.18Å; R578-W593 HydrophobicContact CG-CE3 3.89Å; R578-W593 HydrophobicContact CG-CH2 4.06Å; R578-W593 HydrophobicContact CG-CZ2 4.31Å; R578-W593 HydrophobicContact CG-CZ3 3.83Å |
| 594 | V | 87.1 | Confident | 79.4 | Confident | 47 Ų | 47 | 75.9 Ų | 75.9 | 29% | 0.285 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 128.9 | 171.2 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | L510 V512 R576 L577 E592 | L510-V594 HydrophobicContact CB-CG2 4.49Å; L510-V594 HydrophobicContact CD2-CG2 4.2Å; L510-V594 HydrophobicContact CG-CG2 4.48Å; V512-V594 HydrophobicContact CB-CG1 4.08Å; V512-V594 HydrophobicContact CG2-CB 4.05Å; V512-V594 HydrophobicContact CG2-CG1 3.82Å; R576-V594 CarbonylContact C-O 3.55Å; R576-V594 WeakPolarHBondContact CA-O 3.41Å; L577-V594 PolarHBondContact N-O 2.8Å; L577-V594 PolarHBondContact O-N 3Å; E592-V594 PolarHBondContact O-N 2.85Å |
| 595 | Q | 88.3 | Confident | 77.5 | Confident | 123 Ų | 123 | 77.7 Ų | 77.7 | 58% | 0.575 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 135.1 | 175.8 | -68.4 | 179.7 | -3 | 0 | 0 | 111 | V574 Y575 R576 | V574-Q595 HydrophobicContact CG1-CB 4.37Å; Y575-Q595 CarbonylContact O-C 3.55Å; Y575-Q595 WeakPolarHBondContact O-CA 3.38Å; R576-Q595 HydrophobicContact CB-CG 4.39Å |
| 596 | Q | 85.4 | Confident | 75 | Confident | 50 Ų | 50 | 80 Ų | 80 | 23% | 0.234 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 131.6 | 175.8 | 178.4 | 61.6 | 54.2 | 0 | 0 | 110.2 | V512 I520 Y575 L577 | V512-Q596 HydrophobicContact CG1-CB 3.74Å; V512-Q596 HydrophobicContact CG1-CG 4Å; I520-Q596 HydrophobicContact CD1-CB 4.11Å; I520-Q596 HydrophobicContact CD1-CG 3.84Å; I520-Q596 HydrophobicContact CG1-CG 4.1Å; I520-Q596 HydrophobicContact CG2-CG 4.21Å; Y575-Q596 PolarHBondContact N-O 3.24Å; Y575-Q596 PolarHBondContact O-N 3.03Å; L577-Q596 HydrophobicContact CD1-CB 4.17Å |
| 597 | Q | 84.3 | Confident | 73.2 | Confident | 95 Ų | 95 | 86.9 Ų | 86.9 | 44% | 0.444 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 138.5 | 172.6 | -165.9 | 173.7 | 1.9 | 0 | 0 | 110.6 | S514 N572 Q573 V574 | S514-Q597 WeakPolarHBondContact CB-O 3.38Å; N572-Q597 PolarHBondContact OD1-NE2 3.14Å; Q573-Q597 WeakPolarHBondContact O-CA 3.37Å; V574-Q597 HydrophobicContact CG2-CB 4.1Å; V574-Q597 HydrophobicContact CG2-CG 3.91Å |
| 598 | T | 79.8 | Confident | 71.4 | Confident | 3 Ų | 3 | 87.5 Ų | 87.5 | 2% | 0.018 | 49% | 0.491 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 149.7 | 169.7 | 52.8 | 0 | 0 | 0 | 0 | 111.1 | P517 I520 L569 R570 N572 Q573 Y575 | P517-T598 WeakPolarHBondContact O-CB 3.46Å; I520-T598 HydrophobicContact CD1-CG2 3.92Å; I520-T598 HydrophobicContact CG1-CG2 4.04Å; L569-T598 HydrophobicContact CB-CG2 4.01Å; L569-T598 HydrophobicContact CD1-CG2 4.19Å; R570-T598 PolarHBondContact O-OG1 2.95Å; N572-T598 WeakPolarHBondContact CA-O 3.27Å; N572-T598 PolarHBondContact N-OG1 2.86Å; Q573-T598 PolarHBondContact N-OG1 2.83Å; Q573-T598 PolarHBondContact O-N 3.28Å; Q573-T598 PolarHBondContact O-OG1 2.89Å; Y575-T598 HydrophobicContact CD2-CG2 4.13Å; Y575-T598 HydrophobicContact CE2-CG2 4.08Å |
| 599 | V | 76.9 | Confident | 69.8 | Low | 65 Ų | 65 | 90.1 Ų | 90.1 | 39% | 0.394 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -64 | 143.4 | -177.8 | -179.6 | 0 | 0 | 0 | 0 | 111.4 | S514 P517 N572 | S514-V599 PolarHBondContact OG-N 2.9Å; P517-V599 WeakPolarHBondContact CA-O 3.45Å; P517-V599 WeakPolarHBondContact CB-O 3.45Å; P517-V599 HydrophobicContact CG-CB 4.36Å; N572-V599 PolarHBondContact N-O 2.87Å |
| 600 | V | 70.4 | Confident | 68.3 | Low | 88 Ų | 88 | 89.9 Ų | 89.9 | 53% | 0.533 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 133.1 | 173.7 | -172.7 | 0 | 0 | 0 | 0 | 109.8 | N572 S602 | N572-V600 HydrophobicContact CB-CG2 4.19Å; N572-V600 WeakPolarHBondContact OD1-CG2 3.46Å; V600-S602 PolarHBondContact O-N 2.8Å |
| 601 | R | 55 | Low | 67.2 | Low | 209 Ų | 209 | 88.8 Ų | 88.8 | 79% | 0.789 | 50% | 0.496 | S | S | * | . | trans | -71.2 | 97.7 | 173.2 | -171.3 | 179.6 | -173.1 | -179 | 2.6 | 109.5 | P571 | P571-R601 HydrophobicContact CB-CB 4.33Š| ||
| 602 | S | 51.4 | Low | 66.1 | Low | 106 Ų | 106 | 92.6 Ų | 92.6 | 74% | 0.741 | 51% | 0.511 | S | S | * | . | trans | -65.6 | 130.8 | 174.1 | 38.8 | 0 | 0 | 0 | 0 | 111.1 | V600 | V600-S602 PolarHBondContact O-N 2.8Š| ||
| 603 | G | 49.9 | Very low | 65.5 | Low | 58 Ų | 58 | 86.2 Ų | 86.2 | 60% | 0.598 | 49% | 0.487 | S | S | * | . | trans | -70.3 | 158.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S605 | G603-S605 PolarHBondContact O-N 2.98Š| ||
| 604 | P | 52.1 | Low | 65.1 | Low | 139 Ų | 139 | 82.8 Ų | 82.8 | 90% | 0.903 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -85.9 | 65.2 | -167.6 | 36.2 | -37.7 | 0 | 0 | 0 | 113.4 | ||
| 605 | S | 47.2 | Very low | 64.3 | Low | 117 Ų | 117 | 82.7 Ų | 82.7 | 82% | 0.818 | 48% | 0.476 | S | S | * | . | trans | -174.6 | 67 | 161.7 | 60.4 | 0 | 0 | 0 | 0 | 114.1 | G603 | G603-S605 PolarHBondContact O-N 2.98Š| ||
| 606 | D | 37.6 | Very low | 63.7 | Low | 133 Ų | 133 | 81.5 Ų | 81.5 | 71% | 0.711 | 47% | 0.47 | S | S | * | . | trans | -153 | 127.6 | 148.9 | -174 | 24.3 | 0 | 0 | 0 | 109.7 | S608 | D606-S608 PolarHBondContact O-N 3.38Å; D606-S608 VanDerWaalsContact O-N 3.12Å; D606-S608 VanDerWaalsContact OD2-CB 3.28Å; D606-S608 WeakPolarHBondContact OD2-CB 3.4Å; D606-S608 PolarHBondContact OD2-OG 2.8Å | ||
| 607 | N | 49.9 | Very low | 63.3 | Low | 159 Ų | 159 | 80.7 Ų | 80.7 | 85% | 0.85 | 47% | 0.467 | S | S | * | . | trans | -90 | 36.5 | -172.4 | -149.7 | 8.8 | 0 | 0 | 0 | 111.9 | T609 | N607-T609 PolarHBondContact O-N 2.87Š| ||
| 608 | S | 50.7 | Low | 62.9 | Low | 58 Ų | 58 | 81 Ų | 81 | 41% | 0.406 | 47% | 0.467 | S | S | . | . | trans | -88.4 | 89.9 | -177.9 | 58.5 | 0 | 0 | 0 | 0 | 110.4 | D606 V610 K697 | D606-S608 PolarHBondContact O-N 3.38Å; D606-S608 VanDerWaalsContact O-N 3.12Å; D606-S608 VanDerWaalsContact OD2-CB 3.28Å; D606-S608 WeakPolarHBondContact OD2-CB 3.4Å; D606-S608 PolarHBondContact OD2-OG 2.8Å; S608-V610 PolarHBondContact O-N 2.56Å; S608-K697 PolarHBondContact O-NZ 3.42Å | ||
| 609 | T | 56.8 | Low | 62.9 | Low | 64 Ų | 64 | 81.8 Ų | 81.8 | 39% | 0.393 | 47% | 0.472 | S | S | . | . | trans | -42.9 | 121.4 | -177.4 | 48 | 0 | 0 | 0 | 0 | 113.2 | N607 I611 L638 K697 | N607-T609 PolarHBondContact O-N 2.87Å; T609-I611 PolarHBondContact O-N 3.48Å; T609-L638 HydrophobicContact CG2-CD1 3.94Å; T609-K697 VanDerWaalsContact O-CE 3.27Å; T609-K697 WeakPolarHBondContact O-CE 3.36Å; T609-K697 PolarHBondContact O-NZ 2.97Å | ||
| 610 | V | 58.6 | Low | 62.9 | Low | 86 Ų | 86 | 88 Ų | 88 | 52% | 0.521 | 49% | 0.488 | S | S | . | . | trans | -74.3 | 120.8 | 179.9 | 178.8 | 0 | 0 | 0 | 0 | 109 | S608 F612 N635 | S608-V610 PolarHBondContact O-N 2.56Å; V610-F612 HydrophobicContact CG1-CD1 4.24Å; V610-F612 HydrophobicContact CG1-CE1 4.13Å; V610-F612 HydrophobicContact CG1-CZ 4.45Å; V610-F612 PolarHBondContact O-N 2.83Å; V610-N635 PolarHBondContact O-ND2 3.22Å | ||
| 611 | I | 64.9 | Low | 63.1 | Low | 11 Ų | 11 | 86.2 Ų | 86.2 | 6% | 0.056 | 48% | 0.478 | C | S | . | . | trans | -89.1 | 96.3 | 173.4 | -54.7 | 174 | 0 | 0 | 0 | 107.6 | T609 V639 A692 D694 K697 G699 A700 | T609-I611 PolarHBondContact O-N 3.48Å; I611-V639 HydrophobicContact CG2-CG2 4.25Å; I611-A692 HydrophobicContact CG2-CB 3.55Å; I611-D694 HydrophobicContact CD1-CB 3.8Å; I611-K697 HydrophobicContact CD1-CG 4.17Å; I611-G699 WeakPolarHBondContact O-CA 3.44Å; I611-A700 PolarHBondContact O-N 2.8Å | ||
| 612 | F | 68 | Low | 64.1 | Low | 91 Ų | 91 | 84.6 Ų | 84.6 | 40% | 0.399 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 153.4 | 176.1 | -63.2 | -72.8 | 0 | 0 | 0 | 112 | V610 S633 P634 N635 | V610-F612 HydrophobicContact CG1-CD1 4.24Å; V610-F612 HydrophobicContact CG1-CE1 4.13Å; V610-F612 HydrophobicContact CG1-CZ 4.45Å; V610-F612 PolarHBondContact O-N 2.83Å; F612-S633 VanDerWaalsContact O-CB 3.3Å; F612-S633 WeakPolarHBondContact O-CB 3.49Å; F612-S633 PolarHBondContact O-OG 2.93Å; F612-P634 HydrophobicContact CB-CG 4.36Å; F612-P634 HydrophobicContact CD2-CB 4.2Å; F612-N635 HydrophobicContact CD2-CB 4.42Å; F612-N635 WeakPolarHBondContact CD2-ND2 3.35Å; F612-N635 VanDerWaalsContact CE2-ND2 3.35Å; F612-N635 WeakPolarHBondContact CE2-ND2 3.29Å |
| 613 | A | 74.3 | Confident | 65.4 | Low | 32 Ų | 32 | 82 Ų | 82 | 26% | 0.264 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 153.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S615 A700 A702 | A613-S615 PolarHBondContact O-N 2.84Å; A613-A700 VanDerWaalsContact CA-O 3.29Å; A613-A700 WeakPolarHBondContact CA-O 3.29Å; A613-A700 HydrophobicContact CB-CB 4.15Å; A613-A702 HydrophobicContact CB-CB 4.31Å |
| 614 | P | 78.3 | Confident | 66.6 | Low | 5 Ų | 5 | 82.4 Ų | 82.4 | 3% | 0.032 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 134.5 | 169 | -14.3 | 27.4 | 0 | 0 | 0 | 110.5 | W630 Q631 Y642 V690 | P614-W630 HydrophobicContact CB-CB 3.99Å; P614-W630 HydrophobicContact CB-CG 4.04Å; P614-Q631 WeakPolarHBondContact CB-O 3.33Å; P614-Y642 HydrophobicContact CB-CE1 4.33Å; P614-Y642 HydrophobicContact CG-CD1 4.07Å; P614-Y642 HydrophobicContact CG-CE1 3.95Å; P614-V690 VanDerWaalsContact CD-O 3.3Å; P614-V690 WeakPolarHBondContact CD-O 3.49Å; P614-V690 HydrophobicContact CG-CB 4.32Å; P614-V690 HydrophobicContact CG-CG1 3.97Å |
| 615 | S | 71 | Confident | 67.6 | Low | 45 Ų | 45 | 77 Ų | 77 | 32% | 0.315 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -79.2 | 160.6 | 177 | 45.5 | 0 | 0 | 0 | 0 | 111.8 | A613 L617 Q631 P632 | A613-S615 PolarHBondContact O-N 2.84Å; S615-L617 PolarHBondContact O-N 3.15Å; S615-Q631 PolarHBondContact N-O 3.06Å; S615-Q631 WeakPolarHBondContact O-CB 3.42Å; S615-Q631 PolarHBondContact O-N 2.78Å; S615-Q631 VanDerWaalsContact OG-CB 3.3Å; S615-Q631 WeakPolarHBondContact OG-CB 3.42Å; S615-P632 PolarHBondContact OG-O 2.81Å |
| 616 | E | 74.3 | Confident | 69.2 | Low | 97 Ų | 97 | 71.5 Ų | 71.5 | 45% | 0.453 | 37% | 0.368 | S | S | . | . | trans | 48 | 49.1 | 177.1 | -61.6 | -168.8 | -162.6 | 0 | 0 | 115.3 | K618 Q631 | E616-K618 PolarHBondContact O-N 3.28Å; E616-K618 IonicContact OE2-NZ 3.09Å; E616-K618 PolarHBondContact OE2-NZ 2.65Å; E616-Q631 HydrophobicContact CB-CB 4.45Å; E616-Q631 HydrophobicContact CB-CG 4.16Å; E616-Q631 HydrophobicContact CG-CG 4.46Å; E616-Q631 PolarHBondContact OE1-NE2 3.41Å; E616-Q631 PolarHBondContact OE2-NE2 3.25Å | ||
| 617 | L | 77.6 | Confident | 71.5 | Confident | 33 Ų | 33 | 67.6 Ų | 67.6 | 17% | 0.173 | 35% | 0.347 | C | S | . | . | trans | -63.2 | 106.1 | 170.2 | -178.9 | 64.2 | 0 | 0 | 0 | 110 | S615 V628 T629 W630 V690 A702 W704 | S615-L617 PolarHBondContact O-N 3.15Å; L617-V628 HydrophobicContact CD1-CG1 3.63Å; L617-T629 WeakPolarHBondContact CA-O 3.2Å; L617-W630 HydrophobicContact CD1-CB 4.37Å; L617-V690 HydrophobicContact CD1-CB 4.28Å; L617-V690 HydrophobicContact CD1-CG2 3.56Å; L617-V690 HydrophobicContact CD2-CG2 4.39Å; L617-A702 HydrophobicContact CB-CB 3.89Å; L617-A702 HydrophobicContact CD2-CB 3.74Å; L617-A702 WeakPolarHBondContact CD2-O 3.44Å; L617-A702 HydrophobicContact CG-CB 4.38Å; L617-W704 HydrophobicContact CD2-CB 3.91Å; L617-W704 HydrophobicContact CG-CB 4.43Å | ||
| 618 | K | 76.7 | Confident | 73.2 | Confident | 101 Ų | 101 | 60 Ų | 60 | 44% | 0.439 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 121.2 | -179.8 | -74 | 161.9 | 177.4 | 165 | 0 | 108.8 | E616 T629 | E616-K618 PolarHBondContact O-N 3.28Å; E616-K618 IonicContact OE2-NZ 3.09Å; E616-K618 PolarHBondContact OE2-NZ 2.65Å; K618-T629 WeakPolarHBondContact CB-OG1 3.3Å; K618-T629 PolarHBondContact N-O 3.01Å; K618-T629 PolarHBondContact O-N 3.4Å; K618-T629 PolarHBondContact O-OG1 2.82Å |
| 619 | V | 78.9 | Confident | 74.6 | Confident | 21 Ų | 21 | 59.4 Ų | 59.4 | 13% | 0.127 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 120.4 | 176.1 | -176.2 | 0 | 0 | 0 | 0 | 108.8 | L626 N627 V628 W704 | V619-L626 HydrophobicContact CG1-CB 3.91Å; V619-L626 HydrophobicContact CG1-CD2 4Å; V619-L626 HydrophobicContact CG1-CG 4.36Å; V619-N627 WeakPolarHBondContact CA-O 3.27Å; V619-V628 HydrophobicContact CG1-CG2 4.32Å; V619-V628 HydrophobicContact CG2-CB 4.46Å; V619-V628 HydrophobicContact CG2-CG1 4.15Å; V619-V628 HydrophobicContact CG2-CG2 4.19Å; V619-W704 HydrophobicContact CB-CD2 3.71Å; V619-W704 HydrophobicContact CB-CE3 4.23Å; V619-W704 HydrophobicContact CB-CG 3.97Å; V619-W704 HydrophobicContact CB-CZ2 4.06Å; V619-W704 HydrophobicContact CG1-CD2 4.11Å; V619-W704 HydrophobicContact CG1-CE3 4.15Å; V619-W704 HydrophobicContact CG1-CH2 4.04Å; V619-W704 HydrophobicContact CG1-CZ2 4.02Å; V619-W704 HydrophobicContact CG1-CZ3 4.12Å; V619-W704 HydrophobicContact CG2-CB 3.84Å; V619-W704 HydrophobicContact CG2-CD2 3.62Å; V619-W704 HydrophobicContact CG2-CE3 4.07Å; V619-W704 HydrophobicContact CG2-CG 3.51Å |
| 620 | R | 76.6 | Confident | 75.9 | Confident | 194 Ų | 194 | 56.8 Ų | 56.8 | 73% | 0.732 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 120.1 | 168.4 | -72.2 | -179.3 | 172.8 | 176.5 | -3.3 | 108.8 | N627 | R620-N627 HydrophobicContact CB-CB 4.34Å; R620-N627 PolarHBondContact N-O 2.95Å; R620-N627 PolarHBondContact O-N 3.09Å |
| 621 | T | 75.1 | Confident | 76.9 | Confident | 51 Ų | 51 | 56.9 Ų | 56.9 | 31% | 0.313 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 152.4 | 178.3 | 59.9 | 0 | 0 | 0 | 0 | 111 | L626 W704 R707 D709 | T621-L626 HydrophobicContact CG2-CD2 3.77Å; T621-W704 HydrophobicContact CG2-CH2 3.75Å; T621-W704 HydrophobicContact CG2-CZ2 3.68Å; T621-R707 WeakPolarHBondContact CG2-O 3.22Å; T621-D709 WeakPolarHBondContact CB-OD1 3.44Å; T621-D709 PolarHBondContact OG1-OD1 2.99Å |
| 622 | R | 77.2 | Confident | 77.5 | Confident | 176 Ų | 176 | 58.2 Ų | 58.2 | 66% | 0.664 | 29% | 0.288 | S | S | * | . | trans | -146.6 | 172.7 | 165.5 | -69.9 | -164.6 | 173.1 | -150.2 | -4 | 108.3 | T624 T625 D709 | R622-T624 VanDerWaalsContact C-N 3.31Å; R622-T624 PolarHBondContact O-N 2.82Å; R622-T625 WeakPolarHBondContact CB-OG1 3.33Å; R622-T625 PolarHBondContact N-O 2.94Å; R622-D709 WeakPolarHBondContact CA-OD2 3.48Å; R622-D709 PolarHBondContact O-N 3.08Å | ||
| 623 | V | 78 | Confident | 77.6 | Confident | 52 Ų | 52 | 53.9 Ų | 53.9 | 32% | 0.315 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -54.6 | -40.3 | -176.8 | -174.8 | 0 | 0 | 0 | 0 | 113.4 | P682 D709 I711 | V623-P682 HydrophobicContact CG1-CB 3.93Å; V623-P682 HydrophobicContact CG1-CG 3.8Å; V623-P682 VanDerWaalsContact O-CA 3.27Å; V623-P682 WeakPolarHBondContact O-CA 3.2Å; V623-P682 WeakPolarHBondContact O-CG 3.28Å; V623-D709 WeakPolarHBondContact CA-O 3.3Å; V623-D709 HydrophobicContact CG2-CB 4.14Å; V623-I711 HydrophobicContact CG1-CG1 3.74Å |
| 624 | T | 74.4 | Confident | 77.3 | Confident | 66 Ų | 66 | 56.4 Ų | 56.4 | 41% | 0.405 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -132.8 | 10.3 | -179 | 57.5 | 0 | 0 | 0 | 0 | 114.2 | R622 G679 L680 P682 | R622-T624 VanDerWaalsContact C-N 3.31Å; R622-T624 PolarHBondContact O-N 2.82Å; T624-G679 PolarHBondContact O-N 3.25Å; T624-L680 VanDerWaalsContact CA-O 3.31Å; T624-L680 WeakPolarHBondContact CA-O 3.5Å; T624-L680 WeakPolarHBondContact CB-O 3.48Å; T624-L680 WeakPolarHBondContact CG2-O 3.44Å; T624-L680 PolarHBondContact O-N 2.97Å; T624-P682 HydrophobicContact CG2-CG 4.03Å |
| 625 | T | 73.5 | Confident | 76.7 | Confident | 26 Ų | 26 | 58.6 Ų | 58.6 | 16% | 0.16 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 151.3 | -176.1 | 71.5 | 0 | 0 | 0 | 0 | 112.1 | R622 L677 T678 | R622-T625 WeakPolarHBondContact CB-OG1 3.33Å; R622-T625 PolarHBondContact N-O 2.94Å; T625-L677 CarbonylContact C-O 3.52Å; T625-L677 WeakPolarHBondContact CA-O 3.21Å; T625-L677 WeakPolarHBondContact CB-O 3.42Å; T625-T678 HydrophobicContact CG2-CG2 3.9Å |
| 626 | L | 81.6 | Confident | 76.2 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 116.5 | 172.1 | -65.1 | 176.1 | 0 | 0 | 0 | 108.5 | V619 T621 V628 L677 L680 Y686 V688 W704 T708 | V619-L626 HydrophobicContact CG1-CB 3.91Å; V619-L626 HydrophobicContact CG1-CD2 4Å; V619-L626 HydrophobicContact CG1-CG 4.36Å; T621-L626 HydrophobicContact CG2-CD2 3.77Å; L626-V628 PolarHBondContact O-N 2.8Å; L626-L677 HydrophobicContact CB-CB 4.26Å; L626-L677 HydrophobicContact CB-CD1 4.41Å; L626-L677 PolarHBondContact N-O 3.31Å; L626-L677 PolarHBondContact O-N 2.78Å; L626-L680 HydrophobicContact CB-CD1 4.02Å; L626-L680 HydrophobicContact CD1-CD1 3.67Å; L626-L680 HydrophobicContact CG-CD1 3.49Å; L626-L680 VanDerWaalsContact CG-CD1 3.49Å; L626-Y686 HydrophobicContact CD1-CD2 4.49Å; L626-Y686 HydrophobicContact CD1-CG 4.43Å; L626-V688 HydrophobicContact CD1-CG2 3.95Å; L626-W704 HydrophobicContact CD1-CH2 4.33Å; L626-W704 HydrophobicContact CD1-CZ3 3.82Å; L626-W704 HydrophobicContact CD2-CH2 3.89Å; L626-W704 HydrophobicContact CD2-CZ3 4.22Å; L626-T708 HydrophobicContact CD2-CG2 4.22Å; L626-T708 HydrophobicContact CG-CG2 4.39Å |
| 627 | N | 84.5 | Confident | 75.7 | Confident | 52 Ų | 52 | 60.7 Ų | 60.7 | 28% | 0.278 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 103.2 | 174.4 | -174.2 | 7.5 | 0 | 0 | 0 | 109.3 | V619 R620 L676 | V619-N627 WeakPolarHBondContact CA-O 3.27Å; R620-N627 HydrophobicContact CB-CB 4.34Å; R620-N627 PolarHBondContact N-O 2.95Å; R620-N627 PolarHBondContact O-N 3.09Å; N627-L676 HydrophobicContact CB-CD1 3.8Å |
| 628 | V | 85.9 | Confident | 75.2 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 125.9 | -175.3 | -173.3 | 0 | 0 | 0 | 0 | 108.7 | L617 V619 L626 W630 L644 H674 H675 L677 V688 V690 | L617-V628 HydrophobicContact CD1-CG1 3.63Å; V619-V628 HydrophobicContact CG1-CG2 4.32Å; V619-V628 HydrophobicContact CG2-CB 4.46Å; V619-V628 HydrophobicContact CG2-CG1 4.15Å; V619-V628 HydrophobicContact CG2-CG2 4.19Å; L626-V628 PolarHBondContact O-N 2.8Å; V628-W630 HydrophobicContact CB-CZ3 4.38Å; V628-W630 HydrophobicContact CG1-CE3 4.02Å; V628-W630 HydrophobicContact CG1-CZ3 4.01Å; V628-L644 HydrophobicContact CG1-CD1 4.11Å; V628-L644 HydrophobicContact CG2-CD1 4.41Å; V628-H674 CarbonylContact O-C 3.59Å; V628-H674 WeakPolarHBondContact O-CA 3.25Å; V628-H674 WeakPolarHBondContact O-CB 3.41Å; V628-H675 PolarHBondContact N-O 2.82Å; V628-H675 PolarHBondContact O-N 2.82Å; V628-L677 HydrophobicContact CG2-CD1 4.02Å; V628-L677 HydrophobicContact CG2-CG 4.3Å; V628-V688 HydrophobicContact CG1-CG1 4.11Å; V628-V688 HydrophobicContact CG2-CG1 3.96Å; V628-V690 HydrophobicContact CG1-CG2 3.91Å |
| 629 | T | 80.8 | Confident | 75 | Confident | 45 Ų | 45 | 58.8 Ų | 58.8 | 28% | 0.276 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 144.9 | -178.6 | 61.1 | 0 | 0 | 0 | 0 | 110.4 | L617 K618 R673 H674 | L617-T629 WeakPolarHBondContact CA-O 3.2Å; K618-T629 WeakPolarHBondContact CB-OG1 3.3Å; K618-T629 PolarHBondContact N-O 3.01Å; K618-T629 PolarHBondContact O-N 3.4Å; K618-T629 PolarHBondContact O-OG1 2.82Å; T629-R673 WeakPolarHBondContact CA-O 3.33Å; T629-H674 HydrophobicContact CG2-CB 3.8Å |
| 630 | W | 84 | Confident | 75 | Confident | 9 Ų | 9 | 60.3 Ų | 60.3 | 3% | 0.034 | 31% | 0.312 | C | S | . | . | trans | -153.8 | 153.5 | 179.7 | 61.6 | 93.8 | 0 | 0 | 0 | 112.3 | P614 L617 V628 Y642 L668 A672 R673 H675 V690 | P614-W630 HydrophobicContact CB-CB 3.99Å; P614-W630 HydrophobicContact CB-CG 4.04Å; L617-W630 HydrophobicContact CD1-CB 4.37Å; V628-W630 HydrophobicContact CB-CZ3 4.38Å; V628-W630 HydrophobicContact CG1-CE3 4.02Å; V628-W630 HydrophobicContact CG1-CZ3 4.01Å; W630-Y642 HydrophobicContact CZ2-CG 4.45Å; W630-Y642 AromaticContact NE1-CD1 3.64Å; W630-Y642 AromaticContact NE1-CE1 3.74Å; W630-Y642 AromaticContact NE1-CG 3.83Å; W630-L668 HydrophobicContact CH2-CD1 3.51Å; W630-L668 HydrophobicContact CZ2-CD1 3.87Å; W630-A672 HydrophobicContact CZ2-CB 4.07Å; W630-A672 PolarHBondContact NE1-O 3.34Å; W630-R673 PolarHBondContact N-O 2.94Å; W630-H675 HydrophobicContact CH2-CB 4.16Å; W630-H675 HydrophobicContact CZ3-CB 4.31Å; W630-V690 HydrophobicContact CD2-CG1 3.9Å; W630-V690 HydrophobicContact CE3-CG1 4.15Å; W630-V690 HydrophobicContact CE3-CG2 4.3Å; W630-V690 HydrophobicContact CG-CG1 4.29Å; W630-V690 HydrophobicContact CZ2-CG1 4.36Å | ||
| 631 | Q | 79.4 | Confident | 75.3 | Confident | 87 Ų | 87 | 51.1 Ų | 51.1 | 41% | 0.407 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -85.7 | 156 | 168 | -74.5 | -167.1 | 22.9 | 0 | 0 | 111.3 | P614 S615 E616 | P614-Q631 WeakPolarHBondContact CB-O 3.33Å; S615-Q631 PolarHBondContact N-O 3.06Å; S615-Q631 WeakPolarHBondContact O-CB 3.42Å; S615-Q631 PolarHBondContact O-N 2.78Å; S615-Q631 VanDerWaalsContact OG-CB 3.3Å; S615-Q631 WeakPolarHBondContact OG-CB 3.42Å; E616-Q631 HydrophobicContact CB-CB 4.45Å; E616-Q631 HydrophobicContact CB-CG 4.16Å; E616-Q631 HydrophobicContact CG-CG 4.46Å; E616-Q631 PolarHBondContact OE1-NE2 3.41Å; E616-Q631 PolarHBondContact OE2-NE2 3.25Å |
| 632 | P | 77.3 | Confident | 75.8 | Confident | 40 Ų | 40 | 48.8 Ų | 48.8 | 26% | 0.26 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 144.2 | 177.9 | 8.1 | -6.5 | 0 | 0 | 0 | 111.9 | S615 H636 Y642 | S615-P632 PolarHBondContact OG-O 2.81Å; P632-H636 HydrophobicContact CB-CB 3.79Å; P632-Y642 WeakPolarHBondContact CA-OH 3.39Å |
| 633 | S | 71.1 | Confident | 76 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -52.6 | 143.1 | 169.2 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | F612 N635 H636 | F612-S633 VanDerWaalsContact O-CB 3.3Å; F612-S633 WeakPolarHBondContact O-CB 3.49Å; F612-S633 PolarHBondContact O-OG 2.93Å; S633-N635 PolarHBondContact O-N 2.86Å; S633-H636 WeakPolarHBondContact O-CA 3.13Å; S633-H636 WeakPolarHBondContact O-CB 3.15Å; S633-H636 PolarHBondContact O-N 3.16Å |
| 634 | P | 66.5 | Low | 76.4 | Confident | 85 Ų | 85 | 39.4 Ų | 39.4 | 55% | 0.552 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -45.6 | -39.8 | 175.6 | -32 | 35.1 | 0 | 0 | 0 | 113.9 | F612 H636 | F612-P634 HydrophobicContact CB-CG 4.36Å; F612-P634 HydrophobicContact CD2-CB 4.2Å; P634-H636 VanDerWaalsContact C-N 3.33Å; P634-H636 PolarHBondContact O-N 2.59Å |
| 635 | N | 65.8 | Low | 76.7 | Confident | 51 Ų | 51 | 36.7 Ų | 36.7 | 27% | 0.273 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 30.1 | 179.4 | -67.8 | -4.6 | 0 | 0 | 0 | 113.8 | V610 F612 S633 T637 L638 | V610-N635 PolarHBondContact O-ND2 3.22Å; F612-N635 HydrophobicContact CD2-CB 4.42Å; F612-N635 WeakPolarHBondContact CD2-ND2 3.35Å; F612-N635 VanDerWaalsContact CE2-ND2 3.35Å; F612-N635 WeakPolarHBondContact CE2-ND2 3.29Å; S633-N635 PolarHBondContact O-N 2.86Å; N635-T637 PolarHBondContact O-N 2.67Å; N635-L638 PolarHBondContact O-N 2.65Å; N635-L638 VanDerWaalsContact O-N 3.11Å |
| 636 | H | 62 | Low | 77.1 | Confident | 86 Ų | 86 | 37.4 Ų | 37.4 | 40% | 0.398 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -21.4 | -171.4 | 66 | -75.5 | 0 | 0 | 0 | 116.6 | P632 S633 P634 L638 V639 K670 | P632-H636 HydrophobicContact CB-CB 3.79Å; S633-H636 WeakPolarHBondContact O-CA 3.13Å; S633-H636 WeakPolarHBondContact O-CB 3.15Å; S633-H636 PolarHBondContact O-N 3.16Å; P634-H636 VanDerWaalsContact C-N 3.33Å; P634-H636 PolarHBondContact O-N 2.59Å; H636-L638 VanDerWaalsContact C-N 3.31Å; H636-L638 PolarHBondContact O-N 3.27Å; H636-V639 PolarHBondContact O-N 3.32Å; H636-K670 VanDerWaalsContact O-CE 3.25Å; H636-K670 WeakPolarHBondContact O-CE 3.42Å |
| 637 | T | 63.9 | Low | 77.1 | Confident | 99 Ų | 99 | 41.5 Ų | 41.5 | 61% | 0.607 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -35.3 | 177.6 | 50 | 0 | 0 | 0 | 0 | 111.9 | N635 K670 | N635-T637 PolarHBondContact O-N 2.67Å; T637-K670 PolarHBondContact O-NZ 3.14Å |
| 638 | L | 65.4 | Low | 76.7 | Confident | 93 Ų | 93 | 42.2 Ų | 42.2 | 49% | 0.487 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -82.2 | -13 | -178.1 | -62.7 | 171.2 | 0 | 0 | 0 | 114 | T609 N635 H636 | T609-L638 HydrophobicContact CG2-CD1 3.94Å; N635-L638 PolarHBondContact O-N 2.65Å; N635-L638 VanDerWaalsContact O-N 3.11Å; H636-L638 VanDerWaalsContact C-N 3.31Å; H636-L638 PolarHBondContact O-N 3.27Å |
| 639 | V | 74 | Confident | 75.7 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | trans | -77.4 | 139.1 | -173.2 | 176.1 | 0 | 0 | 0 | 0 | 111.9 | I611 H636 G641 K670 A692 | I611-V639 HydrophobicContact CG2-CG2 4.25Å; H636-V639 PolarHBondContact O-N 3.32Å; V639-G641 WeakPolarHBondContact CG1-O 3.22Å; V639-K670 WeakPolarHBondContact O-CD 3.45Å; V639-K670 WeakPolarHBondContact O-CE 3.35Å; V639-K670 PolarHBondContact O-NZ 3.15Å; V639-A692 HydrophobicContact CB-CB 4.38Å; V639-A692 HydrophobicContact CG1-CB 3.67Å; V639-A692 HydrophobicContact CG2-CB 3.73Å | ||
| 640 | S | 77.7 | Confident | 74.6 | Confident | 53 Ų | 53 | 49.5 Ų | 49.5 | 37% | 0.371 | 26% | 0.258 | S | S | . | . | trans | -91.3 | -32.4 | 173.8 | -67.8 | 0 | 0 | 0 | 0 | 113.1 | F693 | S640-F693 WeakPolarHBondContact CA-O 3.25Å; S640-F693 WeakPolarHBondContact CB-O 3.2Å; S640-F693 PolarHBondContact N-O 3Å | ||
| 641 | G | 82.5 | Confident | 73 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.2 | -171.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V639 L668 A692 F693 | V639-G641 WeakPolarHBondContact CG1-O 3.22Å; G641-L668 WeakPolarHBondContact CA-O 3.46Å; G641-A692 WeakPolarHBondContact O-CA 3.35Å; G641-F693 VanDerWaalsContact C-CD1 3.41Å; G641-F693 VanDerWaalsContact CA-CE1 3.5Å; G641-F693 PolarHBondContact N-O 2.94Å; G641-F693 WeakPolarHBondContact O-CD1 3.49Å; G641-F693 PolarHBondContact O-N 3.29Å |
| 642 | Y | 85.8 | Confident | 71.4 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.008 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 147 | 172.1 | -65.6 | -89.9 | 0 | 0 | 0 | 110.3 | P614 W630 P632 L668 V690 W691 A692 F693 | P614-Y642 HydrophobicContact CB-CE1 4.33Å; P614-Y642 HydrophobicContact CG-CD1 4.07Å; P614-Y642 HydrophobicContact CG-CE1 3.95Å; W630-Y642 HydrophobicContact CZ2-CG 4.45Å; W630-Y642 AromaticContact NE1-CD1 3.64Å; W630-Y642 AromaticContact NE1-CE1 3.74Å; W630-Y642 AromaticContact NE1-CG 3.83Å; P632-Y642 WeakPolarHBondContact CA-OH 3.39Å; Y642-L668 PolarHBondContact N-O 3.34Å; Y642-L668 WeakPolarHBondContact O-CA 3.4Å; Y642-L668 WeakPolarHBondContact O-CB 3.25Å; Y642-L668 PolarHBondContact O-N 2.83Å; Y642-V690 HydrophobicContact CD1-CG1 4.47Å; Y642-W691 CarbonylContact C-O 3.59Å; Y642-W691 VanDerWaalsContact CA-O 3.28Å; Y642-W691 WeakPolarHBondContact CA-O 3.32Å; Y642-A692 HydrophobicContact CD1-CB 4.11Å; Y642-A692 HydrophobicContact CE1-CB 3.9Å; Y642-F693 WeakPolarHBondContact O-CE1 3.5Å |
| 643 | K | 82.3 | Confident | 69.6 | Low | 31 Ų | 31 | 65.6 Ų | 65.6 | 14% | 0.135 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 135.9 | 166.6 | -80.4 | 163.3 | 170.5 | 174.6 | 0 | 107.9 | T665 I666 R667 V690 W691 F693 D698 | K643-T665 HydrophobicContact CB-CG2 4.47Å; K643-I666 WeakPolarHBondContact CA-O 3.25Å; K643-R667 HydrophobicContact CG-CG 3.92Å; K643-V690 WeakPolarHBondContact O-CA 3.41Å; K643-W691 HydrophobicContact CB-CD2 3.74Å; K643-W691 VanDerWaalsContact CB-CE2 3.41Å; K643-W691 HydrophobicContact CB-CE3 4.19Å; K643-W691 HydrophobicContact CB-CG 4.27Å; K643-W691 HydrophobicContact CB-CH2 4.08Å; K643-W691 HydrophobicContact CB-CZ2 3.63Å; K643-W691 HydrophobicContact CB-CZ3 4.32Å; K643-W691 HydrophobicContact CD-CZ2 3.79Å; K643-W691 VanDerWaalsContact CD-NE1 3.35Å; K643-W691 HydrophobicContact CG-CZ2 4.29Å; K643-W691 PolarHBondContact N-O 3.14Å; K643-W691 PolarHBondContact O-N 3.01Å; K643-F693 HydrophobicContact CD-CD1 4.04Å; K643-F693 HydrophobicContact CD-CG 4.43Å; K643-F693 HydrophobicContact CG-CD1 3.78Å; K643-F693 HydrophobicContact CG-CE1 4.05Å; K643-D698 WeakPolarHBondContact CD-OD2 3.47Å; K643-D698 IonicContact NZ-OD1 2.67Å; K643-D698 PolarHBondContact NZ-OD1 3.07Å; K643-D698 IonicContact NZ-OD2 2.66Å; K643-D698 PolarHBondContact NZ-OD2 2.83Å |
| 644 | L | 86.1 | Confident | 68.4 | Low | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 117.6 | 175.8 | 165.1 | 68.9 | 0 | 0 | 0 | 107 | V628 T665 I666 L668 H675 L677 V688 R689 V690 | V628-L644 HydrophobicContact CG1-CD1 4.11Å; V628-L644 HydrophobicContact CG2-CD1 4.41Å; L644-T665 CarbonylContact O-C 3.37Å; L644-T665 WeakPolarHBondContact O-CA 3.19Å; L644-I666 HydrophobicContact CB-CB 4.49Å; L644-I666 HydrophobicContact CD2-CD1 4.46Å; L644-I666 PolarHBondContact N-O 2.95Å; L644-I666 PolarHBondContact O-N 3.35Å; L644-L668 HydrophobicContact CB-CD1 3.96Å; L644-L668 HydrophobicContact CD2-CD1 4.33Å; L644-H675 HydrophobicContact CD2-CB 3.58Å; L644-H675 WeakPolarHBondContact CD2-CD2 3.22Å; L644-L677 HydrophobicContact CD2-CD2 3.97Å; L644-L677 HydrophobicContact CD2-CG 4.47Å; L644-V688 HydrophobicContact CD1-CG1 3.54Å; L644-R689 CarbonylContact C-O 3.45Å; L644-R689 WeakPolarHBondContact CA-O 3.16Å; L644-V690 HydrophobicContact CD1-CG2 3.68Å |
| 645 | S | 81.7 | Confident | 67 | Low | 8 Ų | 8 | 77.5 Ų | 77.5 | 6% | 0.056 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 143.6 | 171.2 | 71.3 | 0 | 0 | 0 | 0 | 112 | H664 T665 V688 R689 W691 | S645-H664 CarbonylContact C-O 3.5Å; S645-H664 WeakPolarHBondContact CA-O 3.46Å; S645-T665 WeakPolarHBondContact CB-OG1 3.47Å; S645-V688 CarbonylContact O-C 3.52Å; S645-V688 WeakPolarHBondContact O-CA 3.45Å; S645-R689 PolarHBondContact N-O 3.42Å; S645-R689 PolarHBondContact O-N 3.02Å; S645-W691 WeakPolarHBondContact OG-CZ3 3.11Å |
| 646 | Y | 81.9 | Confident | 65.7 | Low | 42 Ų | 42 | 81.1 Ų | 81.1 | 17% | 0.165 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 148.8 | 168.1 | 70.4 | -80.2 | 0 | 0 | 0 | 111.7 | H664 I666 L677 L680 E687 | Y646-H664 HydrophobicContact CD1-CB 3.88Å; Y646-H664 HydrophobicContact CE1-CB 3.35Å; Y646-H664 HydrophobicContact CE2-CB 4.15Å; Y646-H664 HydrophobicContact CG-CB 4.47Å; Y646-H664 AromaticContact CZ-CG 3.82Å; Y646-H664 PolarHBondContact N-O 2.82Å; Y646-H664 PolarHBondContact O-N 2.88Å; Y646-I666 HydrophobicContact CE1-CD1 4.3Å; Y646-L677 HydrophobicContact CD1-CD1 3.88Å; Y646-L677 HydrophobicContact CD1-CD2 3.57Å; Y646-L677 HydrophobicContact CD1-CG 4.34Å; Y646-L677 HydrophobicContact CE1-CD2 3.69Å; Y646-L677 HydrophobicContact CG-CD1 3.86Å; Y646-L677 HydrophobicContact CG-CD2 4.35Å; Y646-L680 HydrophobicContact CD2-CD2 3.92Å; Y646-L680 HydrophobicContact CE2-CD2 3.65Å; Y646-E687 VanDerWaalsContact CA-O 3.31Å; Y646-E687 WeakPolarHBondContact CA-O 3.41Å |
| 647 | R | 80.6 | Confident | 65 | Low | 85 Ų | 85 | 88 Ų | 88 | 32% | 0.321 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 149.4 | 172.6 | 63.2 | -177.6 | -176.9 | 169.2 | 5 | 110.1 | Y686 E687 | R647-Y686 WeakPolarHBondContact O-CA 3.26Å; R647-E687 HydrophobicContact CG-CB 4.12Å; R647-E687 IonicContact CZ-OE2 3.87Å; R647-E687 PolarHBondContact N-O 3.16Å; R647-E687 VanDerWaalsContact N-O 3.09Å; R647-E687 IonicContact NE-OE2 2.79Å; R647-E687 PolarHBondContact NE-OE2 3.02Å; R647-E687 VanDerWaalsContact NE-OE2 3.09Å; R647-E687 IonicContact NH2-OE1 3.55Å; R647-E687 IonicContact NH2-OE2 2.72Å; R647-E687 PolarHBondContact NH2-OE2 2.78Å; R647-E687 PolarHBondContact O-N 3.04Å |
| 648 | E | 75.9 | Confident | 64.2 | Low | 68 Ų | 68 | 90.7 Ų | 90.7 | 32% | 0.318 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 137.6 | 164.6 | -167.7 | 171 | -178.6 | 0 | 0 | 108.5 | R684 Q685 Y686 | E648-R684 VanDerWaalsContact OE1-CD 3.27Å; E648-R684 WeakPolarHBondContact OE1-CD 3.42Å; E648-R684 WeakPolarHBondContact OE1-CG 3.45Å; E648-R684 IonicContact OE1-CZ 2.76Å; E648-R684 IonicContact OE1-NE 3.83Å; E648-R684 IonicContact OE1-NH1 3.62Å; E648-R684 PolarHBondContact OE1-NH1 2.79Å; E648-Q685 WeakPolarHBondContact CA-O 3.37Å; E648-Y686 HydrophobicContact CB-CD1 4.28Å; E648-Y686 HydrophobicContact CB-CE1 3.95Å; E648-Y686 HydrophobicContact CG-CE1 4.39Å |
| 649 | A | 64.5 | Low | 63.4 | Low | 21 Ų | 21 | 97.2 Ų | 97.2 | 17% | 0.174 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -88 | 136.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | T651 Q685 | A649-T651 PolarHBondContact O-N 3.36Å; A649-Q685 HydrophobicContact CB-CB 4.33Å; A649-Q685 HydrophobicContact CB-CG 4.15Å; A649-Q685 PolarHBondContact N-O 3.09Å |
| 650 | E | 57.6 | Low | 62.3 | Low | 176 Ų | 176 | 102.5 Ų | 102.5 | 82% | 0.822 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 121 | 178.5 | -70.7 | 170.8 | 161.2 | 0 | 0 | 110.7 | ||
| 651 | T | 50.6 | Low | 61.1 | Low | 81 Ų | 81 | 102.6 Ų | 102.6 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 126.4 | 172 | 49.4 | 0 | 0 | 0 | 0 | 109.4 | A649 R653 | A649-T651 PolarHBondContact O-N 3.36Å; T651-R653 PolarHBondContact O-N 2.84Å |
| 652 | D | 46.9 | Very low | 60 | Low | 164 Ų | 164 | 109.1 Ų | 109.1 | 88% | 0.877 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -73.8 | 55 | -171.2 | -167 | 24.4 | 0 | 0 | 0 | 114.4 | ||
| 653 | R | 39.7 | Very low | 59.2 | Low | 230 Ų | 230 | 112.3 Ų | 112.3 | 87% | 0.868 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -145.5 | 128.5 | 168.7 | -69.8 | -164.6 | 173.7 | 174.5 | -2 | 111.3 | T651 | T651-R653 PolarHBondContact O-N 2.84Š|
| 654 | F | 45.2 | Very low | 58.7 | Low | 206 Ų | 206 | 115.5 Ų | 115.5 | 90% | 0.904 | 56% | 0.558 | S | S | * | * | trans | -56.2 | 128.6 | -179.1 | -73.7 | -103.8 | 0 | 0 | 0 | 114 | ||||
| 655 | T | 36.8 | Very low | 58.3 | Low | 128 Ų | 128 | 119.2 Ų | 119.2 | 79% | 0.785 | 58% | 0.58 | S | S | * | * | -163.3 | 114.6 | 125.6 | 21.6 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 656 | T | 39 | Very low | 58.1 | Low | 128 Ų | 128 | 121.1 Ų | 121.1 | 79% | 0.785 | 59% | 0.589 | S | S | * | * | trans | 51 | 118.4 | 144.5 | 52.6 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 657 | R | 47.1 | Very low | 58 | Low | 229 Ų | 229 | 127.4 Ų | 127.4 | 86% | 0.864 | 61% | 0.613 | S | S | * | * | S | Bend | trans | 70.2 | 117.9 | 145.1 | -77.5 | -176 | 171.3 | 166 | -2 | 121 | R659 | R657-R659 PolarHBondContact O-N 3.05Š|
| 658 | D | 47 | Very low | 58.1 | Low | 156 Ų | 156 | 124.5 Ų | 124.5 | 83% | 0.834 | 60% | 0.603 | S | S | * | * | trans | 47.8 | 58 | 143.9 | -58 | -26.4 | 0 | 0 | 0 | 119.1 | ||||
| 659 | R | 48.6 | Very low | 58.3 | Low | 231 Ų | 231 | 131.8 Ų | 131.8 | 87% | 0.872 | 63% | 0.628 | S | S | * | * | trans | -138.3 | 108.9 | 149.1 | -74.1 | -166.8 | 168.1 | 169.6 | -3.3 | 111.5 | R657 | R657-R659 PolarHBondContact O-N 3.05Š| ||
| 660 | T | 50.5 | Low | 59.1 | Low | 112 Ų | 112 | 135 Ų | 135 | 69% | 0.687 | 64% | 0.638 | S | S | * | * | trans | -63 | 133.9 | 161.6 | 42.7 | 0 | 0 | 0 | 0 | 109.2 | H662 | T660-H662 PolarHBondContact O-N 2.86Å; T660-H662 PolarHBondContact O-ND1 2.82Å | ||
| 661 | P | 53.4 | Low | 60.1 | Low | 56 Ų | 56 | 135.8 Ų | 135.8 | 36% | 0.364 | 64% | 0.639 | S | S | . | * | trans | -65 | 111.4 | -177 | 22.9 | -32 | 0 | 0 | 0 | 110.5 | T663 | P661-T663 PolarHBondContact O-N 3.01Å; P661-T663 PolarHBondContact O-OG1 2.95Å | ||
| 662 | H | 58.3 | Low | 61.6 | Low | 138 Ų | 138 | 132.9 Ų | 132.9 | 64% | 0.639 | 62% | 0.623 | S | S | * | * | trans | -66 | 99.9 | -175.5 | -76.2 | 42.2 | 0 | 0 | 0 | 110.3 | T660 H664 | T660-H662 PolarHBondContact O-N 2.86Å; T660-H662 PolarHBondContact O-ND1 2.82Å; H662-H664 PolarHBondContact O-N 3Å; H662-H664 PolarHBondContact O-ND1 2.91Å | ||
| 663 | T | 69.6 | Low | 63.4 | Low | 69 Ų | 69 | 129.1 Ų | 129.1 | 42% | 0.423 | 60% | 0.597 | S | S | . | * | trans | -78.1 | 105.5 | -179.1 | -61.1 | 0 | 0 | 0 | 0 | 109.6 | P661 | P661-T663 PolarHBondContact O-N 3.01Å; P661-T663 PolarHBondContact O-OG1 2.95Å | ||
| 664 | H | 70.7 | Confident | 65.5 | Low | 98 Ų | 98 | 124.2 Ų | 124.2 | 45% | 0.454 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.5 | 120.4 | -179.1 | -74.4 | 66.8 | 0 | 0 | 0 | 109.2 | S645 Y646 H662 | S645-H664 CarbonylContact C-O 3.5Å; S645-H664 WeakPolarHBondContact CA-O 3.46Å; Y646-H664 HydrophobicContact CD1-CB 3.88Å; Y646-H664 HydrophobicContact CE1-CB 3.35Å; Y646-H664 HydrophobicContact CE2-CB 4.15Å; Y646-H664 HydrophobicContact CG-CB 4.47Å; Y646-H664 AromaticContact CZ-CG 3.82Å; Y646-H664 PolarHBondContact N-O 2.82Å; Y646-H664 PolarHBondContact O-N 2.88Å; H662-H664 PolarHBondContact O-N 3Å; H662-H664 PolarHBondContact O-ND1 2.91Å |
| 665 | T | 77.7 | Confident | 67.2 | Low | 77 Ų | 77 | 117 Ų | 117 | 47% | 0.472 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.7 | 123.7 | -179.3 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | K643 L644 S645 W691 | K643-T665 HydrophobicContact CB-CG2 4.47Å; L644-T665 CarbonylContact O-C 3.37Å; L644-T665 WeakPolarHBondContact O-CA 3.19Å; S645-T665 WeakPolarHBondContact CB-OG1 3.47Å; T665-W691 HydrophobicContact CG2-CH2 4.15Å; T665-W691 HydrophobicContact CG2-CZ2 4.44Å |
| 666 | I | 77.9 | Confident | 69.4 | Low | 49 Ų | 49 | 114.9 Ų | 114.9 | 25% | 0.251 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 125.2 | -176.2 | -52.6 | 179 | 0 | 0 | 0 | 108.6 | K643 L644 Y646 L668 H675 L677 | K643-I666 WeakPolarHBondContact CA-O 3.25Å; L644-I666 HydrophobicContact CB-CB 4.49Å; L644-I666 HydrophobicContact CD2-CD1 4.46Å; L644-I666 PolarHBondContact N-O 2.95Å; L644-I666 PolarHBondContact O-N 3.35Å; Y646-I666 HydrophobicContact CE1-CD1 4.3Å; I666-L668 HydrophobicContact CG2-CD2 3.73Å; I666-L668 HydrophobicContact CG2-CG 4.3Å; I666-H675 WeakPolarHBondContact CD1-NE2 3.39Å; I666-L677 HydrophobicContact CD1-CD2 3.78Å |
| 667 | R | 81.3 | Confident | 71.5 | Confident | 173 Ų | 173 | 109 Ų | 109 | 65% | 0.653 | 50% | 0.499 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 129.5 | 173.1 | -110.4 | -178.3 | 169.1 | 145.4 | -4.7 | 110.3 | K643 F693 | K643-R667 HydrophobicContact CG-CG 3.92Å; R667-F693 HydrophobicContact CG-CE1 4.06Å; R667-F693 HydrophobicContact CG-CZ 4.16Å |
| 668 | L | 81.4 | Confident | 72.9 | Confident | 24 Ų | 24 | 102.1 Ų | 102.1 | 13% | 0.126 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 145.8 | -173.6 | -57.5 | 176.3 | 0 | 0 | 0 | 111.2 | W630 G641 Y642 L644 I666 A672 H675 | W630-L668 HydrophobicContact CH2-CD1 3.51Å; W630-L668 HydrophobicContact CZ2-CD1 3.87Å; G641-L668 WeakPolarHBondContact CA-O 3.46Å; Y642-L668 PolarHBondContact N-O 3.34Å; Y642-L668 WeakPolarHBondContact O-CA 3.4Å; Y642-L668 WeakPolarHBondContact O-CB 3.25Å; Y642-L668 PolarHBondContact O-N 2.83Å; L644-L668 HydrophobicContact CB-CD1 3.96Å; L644-L668 HydrophobicContact CD2-CD1 4.33Å; I666-L668 HydrophobicContact CG2-CD2 3.73Å; I666-L668 HydrophobicContact CG2-CG 4.3Å; L668-A672 HydrophobicContact CB-CB 3.91Å; L668-A672 HydrophobicContact CD1-CB 4.49Å; L668-H675 HydrophobicContact CD1-CB 4.2Å |
| 669 | R | 81.3 | Confident | 73.8 | Confident | 221 Ų | 221 | 98.2 Ų | 98.2 | 83% | 0.834 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 153 | -179.4 | -60.2 | 179.9 | -179.1 | 175.3 | -0.2 | 111.3 | K671 A672 | R669-K671 PolarHBondContact O-N 2.82Å; R669-A672 VanDerWaalsContact O-CB 3.27Å; R669-A672 WeakPolarHBondContact O-CB 3.34Å; R669-A672 PolarHBondContact O-N 3.09Å |
| 670 | K | 80.4 | Confident | 75.2 | Confident | 90 Ų | 90 | 87.7 Ų | 87.7 | 39% | 0.391 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | -29.1 | 178 | -171.7 | 175.8 | -174.7 | 150.3 | 0 | 115.5 | H636 T637 V639 R673 | H636-K670 VanDerWaalsContact O-CE 3.25Å; H636-K670 WeakPolarHBondContact O-CE 3.42Å; T637-K670 PolarHBondContact O-NZ 3.14Å; V639-K670 WeakPolarHBondContact O-CD 3.45Å; V639-K670 WeakPolarHBondContact O-CE 3.35Å; V639-K670 PolarHBondContact O-NZ 3.15Å; K670-R673 PolarHBondContact O-NH1 3.01Å |
| 671 | K | 79.3 | Confident | 76.3 | Confident | 191 Ų | 191 | 85.8 Ų | 85.8 | 83% | 0.83 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -7 | 177.9 | -67.2 | -170.8 | 177.6 | -175.6 | 0 | 114.7 | R669 | R669-K671 PolarHBondContact O-N 2.82Š|
| 672 | A | 81.4 | Confident | 77.4 | Confident | 21 Ų | 21 | 84.9 Ų | 84.9 | 17% | 0.174 | 42% | 0.423 | C | S | . | . | trans | -65.6 | 136.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | W630 L668 R669 | W630-A672 HydrophobicContact CZ2-CB 4.07Å; W630-A672 PolarHBondContact NE1-O 3.34Å; L668-A672 HydrophobicContact CB-CB 3.91Å; L668-A672 HydrophobicContact CD1-CB 4.49Å; R669-A672 VanDerWaalsContact O-CB 3.27Å; R669-A672 WeakPolarHBondContact O-CB 3.34Å; R669-A672 PolarHBondContact O-N 3.09Å | ||
| 673 | R | 84.8 | Confident | 78.3 | Confident | 84 Ų | 84 | 80.9 Ų | 80.9 | 32% | 0.317 | 41% | 0.406 | S | S | . | . | trans | -131.3 | -5.5 | 176.8 | -59.5 | -62.7 | 177.6 | -94.9 | -1 | 113 | T629 W630 K670 | T629-R673 WeakPolarHBondContact CA-O 3.33Å; W630-R673 PolarHBondContact N-O 2.94Å; K670-R673 PolarHBondContact O-NH1 3.01Å | ||
| 674 | H | 84.9 | Confident | 78.6 | Confident | 127 Ų | 127 | 82.7 Ų | 82.7 | 59% | 0.588 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 161.6 | 176.6 | 65.7 | -93.1 | 0 | 0 | 0 | 110.4 | V628 T629 | V628-H674 CarbonylContact O-C 3.59Å; V628-H674 WeakPolarHBondContact O-CA 3.25Å; V628-H674 WeakPolarHBondContact O-CB 3.41Å; T629-H674 HydrophobicContact CG2-CB 3.8Å |
| 675 | H | 80.2 | Confident | 79 | Confident | 54 Ų | 54 | 81.5 Ų | 81.5 | 25% | 0.25 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 138.5 | 169.9 | -163.3 | 73.4 | 0 | 0 | 0 | 110 | V628 W630 L644 I666 L668 | V628-H675 PolarHBondContact N-O 2.82Å; V628-H675 PolarHBondContact O-N 2.82Å; W630-H675 HydrophobicContact CH2-CB 4.16Å; W630-H675 HydrophobicContact CZ3-CB 4.31Å; L644-H675 HydrophobicContact CD2-CB 3.58Å; L644-H675 WeakPolarHBondContact CD2-CD2 3.22Å; I666-H675 WeakPolarHBondContact CD1-NE2 3.39Å; L668-H675 HydrophobicContact CD1-CB 4.2Å |
| 676 | L | 83.6 | Confident | 79.1 | Confident | 85 Ų | 85 | 78.4 Ų | 78.4 | 45% | 0.445 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 115.9 | 177.3 | -177.2 | 68.6 | 0 | 0 | 0 | 109.3 | N627 T678 | N627-L676 HydrophobicContact CB-CD1 3.8Å; L676-T678 HydrophobicContact CD2-CG2 3.85Å; L676-T678 HydrophobicContact CG-CG2 3.81Å |
| 677 | L | 82.2 | Confident | 79.3 | Confident | 4 Ų | 4 | 76.4 Ų | 76.4 | 2% | 0.021 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 131.9 | 168.9 | -59.2 | 175.3 | 0 | 0 | 0 | 108.8 | T625 L626 V628 L644 Y646 I666 L680 V688 | T625-L677 CarbonylContact C-O 3.52Å; T625-L677 WeakPolarHBondContact CA-O 3.21Å; T625-L677 WeakPolarHBondContact CB-O 3.42Å; L626-L677 HydrophobicContact CB-CB 4.26Å; L626-L677 HydrophobicContact CB-CD1 4.41Å; L626-L677 PolarHBondContact N-O 3.31Å; L626-L677 PolarHBondContact O-N 2.78Å; V628-L677 HydrophobicContact CG2-CD1 4.02Å; V628-L677 HydrophobicContact CG2-CG 4.3Å; L644-L677 HydrophobicContact CD2-CD2 3.97Å; L644-L677 HydrophobicContact CD2-CG 4.47Å; Y646-L677 HydrophobicContact CD1-CD1 3.88Å; Y646-L677 HydrophobicContact CD1-CD2 3.57Å; Y646-L677 HydrophobicContact CD1-CG 4.34Å; Y646-L677 HydrophobicContact CE1-CD2 3.69Å; Y646-L677 HydrophobicContact CG-CD1 3.86Å; Y646-L677 HydrophobicContact CG-CD2 4.35Å; I666-L677 HydrophobicContact CD1-CD2 3.78Å; L677-L680 HydrophobicContact CB-CD1 4.03Å; L677-V688 HydrophobicContact CD1-CG2 4.19Å |
| 678 | T | 76.2 | Confident | 79.3 | Confident | 85 Ų | 85 | 68.2 Ų | 68.2 | 52% | 0.521 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 161.6 | -176.2 | 59 | 0 | 0 | 0 | 0 | 111.6 | T625 L676 | T625-T678 HydrophobicContact CG2-CG2 3.9Å; L676-T678 HydrophobicContact CD2-CG2 3.85Å; L676-T678 HydrophobicContact CG-CG2 3.81Å |
| 679 | G | 66.1 | Low | 79.5 | Confident | 74 Ų | 74 | 71.7 Ų | 71.7 | 76% | 0.763 | 35% | 0.35 | S | S | * | . | S | Bend | trans | 75.8 | 24.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | T624 | T624-G679 PolarHBondContact O-N 3.25Š|
| 680 | L | 78.1 | Confident | 79.6 | Confident | 10 Ų | 10 | 61.2 Ų | 61.2 | 5% | 0.052 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -85.3 | 153.3 | 178.3 | -56.7 | 173.9 | 0 | 0 | 0 | 110.8 | T624 L626 Y646 L677 Y686 T708 | T624-L680 VanDerWaalsContact CA-O 3.31Å; T624-L680 WeakPolarHBondContact CA-O 3.5Å; T624-L680 WeakPolarHBondContact CB-O 3.48Å; T624-L680 WeakPolarHBondContact CG2-O 3.44Å; T624-L680 PolarHBondContact O-N 2.97Å; L626-L680 HydrophobicContact CB-CD1 4.02Å; L626-L680 HydrophobicContact CD1-CD1 3.67Å; L626-L680 HydrophobicContact CG-CD1 3.49Å; L626-L680 VanDerWaalsContact CG-CD1 3.49Å; Y646-L680 HydrophobicContact CD2-CD2 3.92Å; Y646-L680 HydrophobicContact CE2-CD2 3.65Å; L677-L680 HydrophobicContact CB-CD1 4.03Å; L680-Y686 HydrophobicContact CB-CE2 3.98Å; L680-Y686 HydrophobicContact CD2-CD1 4.41Å; L680-Y686 HydrophobicContact CD2-CE1 3.94Å; L680-Y686 HydrophobicContact CD2-CE2 4.45Å; L680-T708 HydrophobicContact CB-CG2 3.97Å; L680-T708 HydrophobicContact CD1-CG2 4.31Å |
| 681 | V | 73.3 | Confident | 79.7 | Confident | 72 Ų | 72 | 58.5 Ų | 58.5 | 44% | 0.436 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -81.3 | 137.3 | -178.8 | -175 | 0 | 0 | 0 | 0 | 109.6 | R684 Y686 T708 | V681-R684 HydrophobicContact CB-CB 4.2Å; V681-R684 HydrophobicContact CB-CG 3.64Å; V681-R684 HydrophobicContact CG1-CG 3.58Å; V681-Y686 PolarHBondContact N-OH 3.19Å; V681-T708 PolarHBondContact O-OG1 2.58Å |
| 682 | P | 76.7 | Confident | 79.8 | Confident | 36 Ų | 36 | 49.4 Ų | 49.4 | 23% | 0.234 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | 149.5 | 176.4 | -21.7 | 34 | 0 | 0 | 0 | 114 | V623 T624 R684 I711 | V623-P682 HydrophobicContact CG1-CB 3.93Å; V623-P682 HydrophobicContact CG1-CG 3.8Å; V623-P682 VanDerWaalsContact O-CA 3.27Å; V623-P682 WeakPolarHBondContact O-CA 3.2Å; V623-P682 WeakPolarHBondContact O-CG 3.28Å; T624-P682 HydrophobicContact CG2-CG 4.03Å; P682-R684 PolarHBondContact O-N 2.65Å; P682-R684 VanDerWaalsContact O-N 3.1Å; P682-I711 HydrophobicContact CB-CD1 4.35Å; P682-I711 HydrophobicContact CB-CG1 3.82Å; P682-I711 HydrophobicContact CG-CD1 4.02Å; P682-I711 HydrophobicContact CG-CG1 3.82Å |
| 683 | D | 76.9 | Confident | 79.8 | Confident | 55 Ų | 55 | 49.5 Ų | 49.5 | 29% | 0.294 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 24.7 | -175.5 | -162.8 | 23.3 | 0 | 0 | 0 | 115 | R707 T708 D709 K710 | D683-R707 IonicContact OD1-CZ 3.38Å; D683-R707 IonicContact OD1-NH1 2.73Å; D683-R707 PolarHBondContact OD1-NH1 3.12Å; D683-R707 IonicContact OD2-NH1 3.29Å; D683-T708 WeakPolarHBondContact CA-O 3.23Å; D683-T708 PolarHBondContact N-O 2.97Å; D683-T708 PolarHBondContact N-OG1 3.27Å; D683-D709 PolarHBondContact N-O 2.86Å; D683-K710 HydrophobicContact CB-CG 3.68Å; D683-K710 WeakPolarHBondContact OD1-CE 3.47Å; D683-K710 WeakPolarHBondContact OD2-CE 3.47Å; D683-K710 IonicContact OD2-NZ 2.72Å |
| 684 | R | 76 | Confident | 79.5 | Confident | 107 Ų | 107 | 46.8 Ų | 46.8 | 40% | 0.404 | 25% | 0.246 | S | C | . | . | trans | -100.9 | 143.9 | 174.7 | -67.6 | -52.3 | -172.5 | 120.9 | -13.3 | 111.2 | E648 V681 P682 Y686 R707 T708 | E648-R684 VanDerWaalsContact OE1-CD 3.27Å; E648-R684 WeakPolarHBondContact OE1-CD 3.42Å; E648-R684 WeakPolarHBondContact OE1-CG 3.45Å; E648-R684 IonicContact OE1-CZ 2.76Å; E648-R684 IonicContact OE1-NE 3.83Å; E648-R684 IonicContact OE1-NH1 3.62Å; E648-R684 PolarHBondContact OE1-NH1 2.79Å; V681-R684 HydrophobicContact CB-CB 4.2Å; V681-R684 HydrophobicContact CB-CG 3.64Å; V681-R684 HydrophobicContact CG1-CG 3.58Å; P682-R684 PolarHBondContact O-N 2.65Å; P682-R684 VanDerWaalsContact O-N 3.1Å; R684-Y686 HydrophobicContact CB-CD2 4.47Å; R684-Y686 HydrophobicContact CB-CE2 3.72Å; R684-Y686 VanDerWaalsContact O-CD2 3.32Å; R684-Y686 WeakPolarHBondContact O-CD2 3.2Å; R684-R707 VanDerWaalsContact O-CA 3.29Å; R684-R707 WeakPolarHBondContact O-CA 3.16Å; R684-T708 PolarHBondContact N-OG1 3.27Å; R684-T708 VanDerWaalsContact N-OG1 3.1Å; R684-T708 PolarHBondContact O-N 3Å; R684-T708 PolarHBondContact O-OG1 3.26Å | ||
| 685 | Q | 80.4 | Confident | 78.9 | Confident | 72 Ų | 72 | 50.1 Ų | 50.1 | 34% | 0.336 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 125.1 | -176.3 | -167.8 | 164.2 | -30.4 | 0 | 0 | 109.1 | E648 A649 G706 R707 | E648-Q685 WeakPolarHBondContact CA-O 3.37Å; A649-Q685 HydrophobicContact CB-CB 4.33Å; A649-Q685 HydrophobicContact CB-CG 4.15Å; A649-Q685 PolarHBondContact N-O 3.09Å; Q685-G706 WeakPolarHBondContact CA-O 3.25Å; Q685-R707 HydrophobicContact CB-CG 3.99Å; Q685-R707 HydrophobicContact CG-CG 4.21Å |
| 686 | Y | 78.1 | Confident | 78.3 | Confident | 13 Ų | 13 | 56.5 Ų | 56.5 | 5% | 0.051 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 141.7 | -177.8 | -70.2 | -79.8 | 0 | 0 | 0 | 110.7 | L626 R647 E648 L680 V681 R684 K705 G706 T708 | L626-Y686 HydrophobicContact CD1-CD2 4.49Å; L626-Y686 HydrophobicContact CD1-CG 4.43Å; R647-Y686 WeakPolarHBondContact O-CA 3.26Å; E648-Y686 HydrophobicContact CB-CD1 4.28Å; E648-Y686 HydrophobicContact CB-CE1 3.95Å; E648-Y686 HydrophobicContact CG-CE1 4.39Å; L680-Y686 HydrophobicContact CB-CE2 3.98Å; L680-Y686 HydrophobicContact CD2-CD1 4.41Å; L680-Y686 HydrophobicContact CD2-CE1 3.94Å; L680-Y686 HydrophobicContact CD2-CE2 4.45Å; V681-Y686 PolarHBondContact N-OH 3.19Å; R684-Y686 HydrophobicContact CB-CD2 4.47Å; R684-Y686 HydrophobicContact CB-CE2 3.72Å; R684-Y686 VanDerWaalsContact O-CD2 3.32Å; R684-Y686 WeakPolarHBondContact O-CD2 3.2Å; Y686-K705 WeakPolarHBondContact O-CA 3.44Å; Y686-G706 PolarHBondContact N-O 3.46Å; Y686-G706 PolarHBondContact O-N 3.04Å; Y686-T708 HydrophobicContact CD2-CG2 3.94Å; Y686-T708 HydrophobicContact CE2-CG2 3.8Å |
| 687 | E | 82.9 | Confident | 77.7 | Confident | 7 Ų | 7 | 56 Ų | 56 | 3% | 0.033 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 120.6 | 165.5 | -178.3 | 176.8 | 176.4 | 0 | 0 | 108.6 | Y646 R647 R689 V703 K705 | Y646-E687 VanDerWaalsContact CA-O 3.31Å; Y646-E687 WeakPolarHBondContact CA-O 3.41Å; R647-E687 HydrophobicContact CG-CB 4.12Å; R647-E687 IonicContact CZ-OE2 3.87Å; R647-E687 PolarHBondContact N-O 3.16Å; R647-E687 VanDerWaalsContact N-O 3.09Å; R647-E687 IonicContact NE-OE2 2.79Å; R647-E687 PolarHBondContact NE-OE2 3.02Å; R647-E687 VanDerWaalsContact NE-OE2 3.09Å; R647-E687 IonicContact NH2-OE1 3.55Å; R647-E687 IonicContact NH2-OE2 2.72Å; R647-E687 PolarHBondContact NH2-OE2 2.78Å; R647-E687 PolarHBondContact O-N 3.04Å; E687-R689 HydrophobicContact CG-CG 4.38Å; E687-R689 IonicContact OE1-CZ 2.7Å; E687-R689 IonicContact OE1-NE 3.71Å; E687-R689 PolarHBondContact OE1-NE 3.17Å; E687-R689 IonicContact OE1-NH2 3.18Å; E687-R689 PolarHBondContact OE1-NH2 3.21Å; E687-V703 HydrophobicContact CG-CG1 4.01Å; E687-K705 HydrophobicContact CB-CG 4.06Å; E687-K705 HydrophobicContact CG-CD 4.45Å; E687-K705 HydrophobicContact CG-CG 3.9Å; E687-K705 WeakPolarHBondContact OE2-CE 3.41Å; E687-K705 IonicContact OE2-NZ 3.88Å |
| 688 | V | 80.4 | Confident | 77.4 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 130.5 | 177.5 | 179 | 0 | 0 | 0 | 0 | 108.4 | L626 V628 L644 S645 L677 V703 W704 | L626-V688 HydrophobicContact CD1-CG2 3.95Å; V628-V688 HydrophobicContact CG1-CG1 4.11Å; V628-V688 HydrophobicContact CG2-CG1 3.96Å; L644-V688 HydrophobicContact CD1-CG1 3.54Å; S645-V688 CarbonylContact O-C 3.52Å; S645-V688 WeakPolarHBondContact O-CA 3.45Å; L677-V688 HydrophobicContact CD1-CG2 4.19Å; V688-V703 WeakPolarHBondContact O-CA 3.36Å; V688-W704 HydrophobicContact CB-CB 4.49Å; V688-W704 HydrophobicContact CB-CE3 4.1Å; V688-W704 HydrophobicContact CG2-CE3 3.83Å; V688-W704 HydrophobicContact CG2-CZ3 4.17Å; V688-W704 PolarHBondContact N-O 2.6Å; V688-W704 PolarHBondContact O-N 3.19Å |
| 689 | R | 85.6 | Confident | 77.3 | Confident | 98 Ų | 98 | 56.2 Ų | 56.2 | 37% | 0.37 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 134.3 | 176.9 | -55.7 | -174 | 173.5 | -171.7 | -2.9 | 110.1 | L644 S645 E687 W691 A701 A702 V703 | L644-R689 CarbonylContact C-O 3.45Å; L644-R689 WeakPolarHBondContact CA-O 3.16Å; S645-R689 PolarHBondContact N-O 3.42Å; S645-R689 PolarHBondContact O-N 3.02Å; E687-R689 HydrophobicContact CG-CG 4.38Å; E687-R689 IonicContact OE1-CZ 2.7Å; E687-R689 IonicContact OE1-NE 3.71Å; E687-R689 PolarHBondContact OE1-NE 3.17Å; E687-R689 IonicContact OE1-NH2 3.18Å; E687-R689 PolarHBondContact OE1-NH2 3.21Å; R689-W691 HydrophobicContact CB-CE3 4.09Å; R689-W691 HydrophobicContact CB-CZ3 3.85Å; R689-A701 HydrophobicContact CB-CB 4.33Å; R689-A702 CarbonylContact C-O 3.59Å; R689-A702 WeakPolarHBondContact CA-O 3.19Å; R689-V703 HydrophobicContact CG-CG1 4.19Å; R689-V703 HydrophobicContact CG-CG2 4.05Å |
| 690 | V | 83.4 | Confident | 77.6 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 124.9 | 174.3 | -167.2 | 0 | 0 | 0 | 0 | 109.7 | P614 L617 V628 W630 Y642 K643 L644 A701 A702 | P614-V690 VanDerWaalsContact CD-O 3.3Å; P614-V690 WeakPolarHBondContact CD-O 3.49Å; P614-V690 HydrophobicContact CG-CB 4.32Å; P614-V690 HydrophobicContact CG-CG1 3.97Å; L617-V690 HydrophobicContact CD1-CB 4.28Å; L617-V690 HydrophobicContact CD1-CG2 3.56Å; L617-V690 HydrophobicContact CD2-CG2 4.39Å; V628-V690 HydrophobicContact CG1-CG2 3.91Å; W630-V690 HydrophobicContact CD2-CG1 3.9Å; W630-V690 HydrophobicContact CE3-CG1 4.15Å; W630-V690 HydrophobicContact CE3-CG2 4.3Å; W630-V690 HydrophobicContact CG-CG1 4.29Å; W630-V690 HydrophobicContact CZ2-CG1 4.36Å; Y642-V690 HydrophobicContact CD1-CG1 4.47Å; K643-V690 WeakPolarHBondContact O-CA 3.41Å; L644-V690 HydrophobicContact CD1-CG2 3.68Å; V690-A701 WeakPolarHBondContact O-CA 3.42Å; V690-A702 PolarHBondContact N-O 2.97Å; V690-A702 PolarHBondContact O-N 3.14Å |
| 691 | W | 84.3 | Confident | 77.5 | Confident | 33 Ų | 33 | 56.8 Ų | 56.8 | 13% | 0.125 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 151.5 | 175.7 | 61.7 | 111.1 | 0 | 0 | 0 | 111.8 | Y642 K643 S645 T665 R689 D698 A700 A701 | Y642-W691 CarbonylContact C-O 3.59Å; Y642-W691 VanDerWaalsContact CA-O 3.28Å; Y642-W691 WeakPolarHBondContact CA-O 3.32Å; K643-W691 HydrophobicContact CB-CD2 3.74Å; K643-W691 VanDerWaalsContact CB-CE2 3.41Å; K643-W691 HydrophobicContact CB-CE3 4.19Å; K643-W691 HydrophobicContact CB-CG 4.27Å; K643-W691 HydrophobicContact CB-CH2 4.08Å; K643-W691 HydrophobicContact CB-CZ2 3.63Å; K643-W691 HydrophobicContact CB-CZ3 4.32Å; K643-W691 HydrophobicContact CD-CZ2 3.79Å; K643-W691 VanDerWaalsContact CD-NE1 3.35Å; K643-W691 HydrophobicContact CG-CZ2 4.29Å; K643-W691 PolarHBondContact N-O 3.14Å; K643-W691 PolarHBondContact O-N 3.01Å; S645-W691 WeakPolarHBondContact OG-CZ3 3.11Å; T665-W691 HydrophobicContact CG2-CH2 4.15Å; T665-W691 HydrophobicContact CG2-CZ2 4.44Å; R689-W691 HydrophobicContact CB-CE3 4.09Å; R689-W691 HydrophobicContact CB-CZ3 3.85Å; W691-D698 PolarHBondContact NE1-OD2 3.18Å; W691-A700 WeakPolarHBondContact CB-O 3.33Å; W691-A701 HydrophobicContact CB-CB 4.02Å; W691-A701 HydrophobicContact CE3-CB 4.31Å |
| 692 | A | 81.4 | Confident | 77.6 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 151.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110 | I611 V639 G641 Y642 G699 | I611-A692 HydrophobicContact CG2-CB 3.55Å; V639-A692 HydrophobicContact CB-CB 4.38Å; V639-A692 HydrophobicContact CG1-CB 3.67Å; V639-A692 HydrophobicContact CG2-CB 3.73Å; G641-A692 WeakPolarHBondContact O-CA 3.35Å; Y642-A692 HydrophobicContact CD1-CB 4.11Å; Y642-A692 HydrophobicContact CE1-CB 3.9Å; A692-G699 WeakPolarHBondContact O-CA 3.44Å; A692-G699 PolarHBondContact O-N 2.86Å |
| 693 | F | 81.3 | Confident | 77.7 | Confident | 24 Ų | 24 | 56 Ų | 56 | 11% | 0.105 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 150.6 | 174.3 | 71.4 | -90.9 | 0 | 0 | 0 | 111.5 | S640 G641 Y642 K643 R667 D698 | S640-F693 WeakPolarHBondContact CA-O 3.25Å; S640-F693 WeakPolarHBondContact CB-O 3.2Å; S640-F693 PolarHBondContact N-O 3Å; G641-F693 VanDerWaalsContact C-CD1 3.41Å; G641-F693 VanDerWaalsContact CA-CE1 3.5Å; G641-F693 PolarHBondContact N-O 2.94Å; G641-F693 WeakPolarHBondContact O-CD1 3.49Å; G641-F693 PolarHBondContact O-N 3.29Å; Y642-F693 WeakPolarHBondContact O-CE1 3.5Å; K643-F693 HydrophobicContact CD-CD1 4.04Å; K643-F693 HydrophobicContact CD-CG 4.43Å; K643-F693 HydrophobicContact CG-CD1 3.78Å; K643-F693 HydrophobicContact CG-CE1 4.05Å; R667-F693 HydrophobicContact CG-CE1 4.06Å; R667-F693 HydrophobicContact CG-CZ 4.16Å; F693-D698 WeakPolarHBondContact CB-OD1 3.41Å |
| 694 | D | 78.4 | Confident | 78 | Confident | 27 Ų | 27 | 55.8 Ų | 55.8 | 14% | 0.144 | 28% | 0.276 | C | S | . | . | trans | -107.6 | -154.1 | 175 | 73.9 | 16.8 | 0 | 0 | 0 | 112.2 | I611 Q696 K697 | I611-D694 HydrophobicContact CD1-CB 3.8Å; D694-Q696 PolarHBondContact OD1-N 2.63Å; D694-K697 PolarHBondContact N-O 2.9Å; D694-K697 PolarHBondContact OD1-N 2.57Å | ||
| 695 | K | 70.9 | Confident | 78.1 | Confident | 197 Ų | 197 | 56.9 Ų | 56.9 | 86% | 0.857 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -79.6 | -16.4 | 178.2 | -71.5 | -173.5 | 177.8 | -178.9 | 0 | 114.2 | ||
| 696 | Q | 68.9 | Low | 77.6 | Confident | 187 Ų | 187 | 54.3 Ų | 54.3 | 87% | 0.874 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -126.1 | -29.1 | -169.4 | -68.6 | 179.2 | -14.8 | 0 | 0 | 113.4 | D694 | D694-Q696 PolarHBondContact OD1-N 2.63Š|
| 697 | K | 70.1 | Confident | 77.6 | Confident | 74 Ų | 74 | 59.3 Ų | 59.3 | 32% | 0.322 | 30% | 0.295 | S | S | . | . | trans | -146.6 | 159.5 | -174.7 | 64.2 | -175.4 | -178.6 | -177.3 | 0 | 114.4 | S608 T609 I611 D694 | S608-K697 PolarHBondContact O-NZ 3.42Å; T609-K697 VanDerWaalsContact O-CE 3.27Å; T609-K697 WeakPolarHBondContact O-CE 3.36Å; T609-K697 PolarHBondContact O-NZ 2.97Å; I611-K697 HydrophobicContact CD1-CG 4.17Å; D694-K697 PolarHBondContact N-O 2.9Å; D694-K697 PolarHBondContact OD1-N 2.57Å | ||
| 698 | D | 76.9 | Confident | 77.1 | Confident | 77 Ų | 77 | 59.1 Ų | 59.1 | 41% | 0.412 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 142.3 | 169.4 | -79.4 | 0.1 | 0 | 0 | 0 | 110 | K643 W691 F693 | K643-D698 WeakPolarHBondContact CD-OD2 3.47Å; K643-D698 IonicContact NZ-OD1 2.67Å; K643-D698 PolarHBondContact NZ-OD1 3.07Å; K643-D698 IonicContact NZ-OD2 2.66Å; K643-D698 PolarHBondContact NZ-OD2 2.83Å; W691-D698 PolarHBondContact NE1-OD2 3.18Å; F693-D698 WeakPolarHBondContact CB-OD1 3.41Å |
| 699 | G | 74.1 | Confident | 76.9 | Confident | 18 Ų | 18 | 61.7 Ų | 61.7 | 19% | 0.186 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -178.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | I611 A692 | I611-G699 WeakPolarHBondContact O-CA 3.44Å; A692-G699 WeakPolarHBondContact O-CA 3.44Å; A692-G699 PolarHBondContact O-N 2.86Å |
| 700 | A | 72.5 | Confident | 76.1 | Confident | 54 Ų | 54 | 62.9 Ų | 62.9 | 45% | 0.446 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 145.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | I611 A613 W691 | I611-A700 PolarHBondContact O-N 2.8Å; A613-A700 VanDerWaalsContact CA-O 3.29Å; A613-A700 WeakPolarHBondContact CA-O 3.29Å; A613-A700 HydrophobicContact CB-CB 4.15Å; W691-A700 WeakPolarHBondContact CB-O 3.33Å |
| 701 | A | 75.8 | Confident | 75 | Confident | 42 Ų | 42 | 69 Ų | 69 | 35% | 0.347 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 130.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R689 V690 W691 V703 | R689-A701 HydrophobicContact CB-CB 4.33Å; V690-A701 WeakPolarHBondContact O-CA 3.42Å; W691-A701 HydrophobicContact CB-CB 4.02Å; W691-A701 HydrophobicContact CE3-CB 4.31Å; A701-V703 HydrophobicContact CB-CG2 4.39Å |
| 702 | A | 74.3 | Confident | 73.2 | Confident | 15 Ų | 15 | 74.7 Ų | 74.7 | 12% | 0.124 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 132.3 | 157.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | A613 L617 R689 V690 | A613-A702 HydrophobicContact CB-CB 4.31Å; L617-A702 HydrophobicContact CB-CB 3.89Å; L617-A702 HydrophobicContact CD2-CB 3.74Å; L617-A702 WeakPolarHBondContact CD2-O 3.44Å; L617-A702 HydrophobicContact CG-CB 4.38Å; R689-A702 CarbonylContact C-O 3.59Å; R689-A702 WeakPolarHBondContact CA-O 3.19Å; V690-A702 PolarHBondContact N-O 2.97Å; V690-A702 PolarHBondContact O-N 3.14Å |
| 703 | V | 79.8 | Confident | 71.2 | Confident | 75 Ų | 75 | 77.5 Ų | 77.5 | 46% | 0.455 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 132.8 | -175.3 | -174.2 | 0 | 0 | 0 | 0 | 109.7 | E687 V688 R689 A701 | E687-V703 HydrophobicContact CG-CG1 4.01Å; V688-V703 WeakPolarHBondContact O-CA 3.36Å; R689-V703 HydrophobicContact CG-CG1 4.19Å; R689-V703 HydrophobicContact CG-CG2 4.05Å; A701-V703 HydrophobicContact CB-CG2 4.39Å |
| 704 | W | 81.8 | Confident | 68.7 | Low | 52 Ų | 52 | 87.8 Ų | 87.8 | 20% | 0.197 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 137.7 | 168.8 | 177.1 | 90.2 | 0 | 0 | 0 | 109.1 | L617 V619 T621 L626 V688 G706 | L617-W704 HydrophobicContact CD2-CB 3.91Å; L617-W704 HydrophobicContact CG-CB 4.43Å; V619-W704 HydrophobicContact CB-CD2 3.71Å; V619-W704 HydrophobicContact CB-CE3 4.23Å; V619-W704 HydrophobicContact CB-CG 3.97Å; V619-W704 HydrophobicContact CB-CZ2 4.06Å; V619-W704 HydrophobicContact CG1-CD2 4.11Å; V619-W704 HydrophobicContact CG1-CE3 4.15Å; V619-W704 HydrophobicContact CG1-CH2 4.04Å; V619-W704 HydrophobicContact CG1-CZ2 4.02Å; V619-W704 HydrophobicContact CG1-CZ3 4.12Å; V619-W704 HydrophobicContact CG2-CB 3.84Å; V619-W704 HydrophobicContact CG2-CD2 3.62Å; V619-W704 HydrophobicContact CG2-CE3 4.07Å; V619-W704 HydrophobicContact CG2-CG 3.51Å; T621-W704 HydrophobicContact CG2-CH2 3.75Å; T621-W704 HydrophobicContact CG2-CZ2 3.68Å; L626-W704 HydrophobicContact CD1-CH2 4.33Å; L626-W704 HydrophobicContact CD1-CZ3 3.82Å; L626-W704 HydrophobicContact CD2-CH2 3.89Å; L626-W704 HydrophobicContact CD2-CZ3 4.22Å; V688-W704 HydrophobicContact CB-CB 4.49Å; V688-W704 HydrophobicContact CB-CE3 4.1Å; V688-W704 HydrophobicContact CG2-CE3 3.83Å; V688-W704 HydrophobicContact CG2-CZ3 4.17Å; V688-W704 PolarHBondContact N-O 2.6Å; V688-W704 PolarHBondContact O-N 3.19Å; W704-G706 VanDerWaalsContact CH2-CA 3.42Å |
| 705 | K | 78.1 | Confident | 66.6 | Low | 130 Ų | 130 | 91.9 Ų | 91.9 | 57% | 0.565 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 130.9 | 171.3 | -72.7 | -178.3 | 175.6 | -178.3 | 0 | 108.2 | Y686 E687 | Y686-K705 WeakPolarHBondContact O-CA 3.44Å; E687-K705 HydrophobicContact CB-CG 4.06Å; E687-K705 HydrophobicContact CG-CD 4.45Å; E687-K705 HydrophobicContact CG-CG 3.9Å; E687-K705 WeakPolarHBondContact OE2-CE 3.41Å; E687-K705 IonicContact OE2-NZ 3.88Å |
| 706 | G | 69.7 | Low | 64.9 | Low | 17 Ų | 17 | 88.2 Ų | 88.2 | 18% | 0.175 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.8 | -179.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q685 Y686 W704 | Q685-G706 WeakPolarHBondContact CA-O 3.25Å; Y686-G706 PolarHBondContact N-O 3.46Å; Y686-G706 PolarHBondContact O-N 3.04Å; W704-G706 VanDerWaalsContact CH2-CA 3.42Å |
| 707 | R | 78.6 | Confident | 63.1 | Low | 119 Ų | 119 | 82.1 Ų | 82.1 | 45% | 0.449 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 150.5 | -179.9 | -68.4 | -175.6 | 176 | -146.4 | 0.4 | 111.7 | T621 D683 R684 Q685 | T621-R707 WeakPolarHBondContact CG2-O 3.22Å; D683-R707 IonicContact OD1-CZ 3.38Å; D683-R707 IonicContact OD1-NH1 2.73Å; D683-R707 PolarHBondContact OD1-NH1 3.12Å; D683-R707 IonicContact OD2-NH1 3.29Å; R684-R707 VanDerWaalsContact O-CA 3.29Å; R684-R707 WeakPolarHBondContact O-CA 3.16Å; Q685-R707 HydrophobicContact CB-CG 3.99Å; Q685-R707 HydrophobicContact CG-CG 4.21Å |
| 708 | T | 73.8 | Confident | 61.9 | Low | 3 Ų | 3 | 85.2 Ų | 85.2 | 2% | 0.018 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 151.4 | 157.1 | 42.6 | 0 | 0 | 0 | 0 | 109.9 | L626 L680 V681 D683 R684 Y686 | L626-T708 HydrophobicContact CD2-CG2 4.22Å; L626-T708 HydrophobicContact CG-CG2 4.39Å; L680-T708 HydrophobicContact CB-CG2 3.97Å; L680-T708 HydrophobicContact CD1-CG2 4.31Å; V681-T708 PolarHBondContact O-OG1 2.58Å; D683-T708 WeakPolarHBondContact CA-O 3.23Å; D683-T708 PolarHBondContact N-O 2.97Å; D683-T708 PolarHBondContact N-OG1 3.27Å; R684-T708 PolarHBondContact N-OG1 3.27Å; R684-T708 VanDerWaalsContact N-OG1 3.1Å; R684-T708 PolarHBondContact O-N 3Å; R684-T708 PolarHBondContact O-OG1 3.26Å; Y686-T708 HydrophobicContact CD2-CG2 3.94Å; Y686-T708 HydrophobicContact CE2-CG2 3.8Å |
| 709 | D | 74.4 | Confident | 60.3 | Low | 54 Ų | 54 | 86.1 Ų | 86.1 | 29% | 0.289 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 148.5 | -178.3 | -54.1 | -13.7 | 0 | 0 | 0 | 110.4 | T621 R622 V623 D683 | T621-D709 WeakPolarHBondContact CB-OD1 3.44Å; T621-D709 PolarHBondContact OG1-OD1 2.99Å; R622-D709 WeakPolarHBondContact CA-OD2 3.48Å; R622-D709 PolarHBondContact O-N 3.08Å; V623-D709 WeakPolarHBondContact CA-O 3.3Å; V623-D709 HydrophobicContact CG2-CB 4.14Å; D683-D709 PolarHBondContact N-O 2.86Å |
| 710 | K | 69.3 | Low | 58.9 | Low | 123 Ų | 123 | 87.9 Ų | 87.9 | 54% | 0.535 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 143.8 | 170.2 | -78.2 | 169.5 | 174.1 | 178.8 | 0 | 110.1 | D683 H712 | D683-K710 HydrophobicContact CB-CG 3.68Å; D683-K710 WeakPolarHBondContact OD1-CE 3.47Å; D683-K710 WeakPolarHBondContact OD2-CE 3.47Å; D683-K710 IonicContact OD2-NZ 2.72Å; K710-H712 PolarHBondContact O-N 2.86Å; K710-H712 PolarHBondContact O-ND1 3.11Å |
| 711 | I | 60.1 | Low | 58 | Low | 127 Ų | 127 | 87 Ų | 87 | 65% | 0.651 | 50% | 0.496 | S | S | * | . | trans | -57.7 | 115.2 | 160.2 | -61.2 | 174.3 | 0 | 0 | 0 | 106.2 | V623 P682 G713 | V623-I711 HydrophobicContact CG1-CG1 3.74Å; P682-I711 HydrophobicContact CB-CD1 4.35Å; P682-I711 HydrophobicContact CB-CG1 3.82Å; P682-I711 HydrophobicContact CG-CD1 4.02Å; P682-I711 HydrophobicContact CG-CG1 3.82Å; I711-G713 VanDerWaalsContact C-N 3.27Å; I711-G713 PolarHBondContact O-N 3.5Å | ||
| 712 | H | 47.3 | Very low | 57.1 | Low | 154 Ų | 154 | 87.3 Ų | 87.3 | 71% | 0.713 | 50% | 0.495 | S | S | * | . | trans | -74.2 | 84.8 | 179.1 | -78.4 | 51.1 | 0 | 0 | 0 | 109.6 | K710 R714 | K710-H712 PolarHBondContact O-N 2.86Å; K710-H712 PolarHBondContact O-ND1 3.11Å; H712-R714 PolarHBondContact O-N 2.88Å | ||
| 713 | G | 39.3 | Very low | 56.6 | Low | 59 Ų | 59 | 86.6 Ų | 86.6 | 61% | 0.608 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 128.3 | 148.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | I711 | I711-G713 VanDerWaalsContact C-N 3.27Å; I711-G713 PolarHBondContact O-N 3.5Å |
| 714 | R | 29.7 | Very low | 56.2 | Low | 239 Ų | 239 | 86 Ų | 86 | 90% | 0.902 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -48.1 | 127.8 | -178.7 | -165.4 | -177.7 | -158.8 | 179.6 | 5.6 | 109.8 | H712 S716 | H712-R714 PolarHBondContact O-N 2.88Å; R714-S716 PolarHBondContact O-N 2.85Å; R714-S716 VanDerWaalsContact O-N 3.1Å |
| 715 | P | 32.6 | Very low | 56 | Low | 114 Ų | 114 | 85.1 Ų | 85.1 | 74% | 0.74 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 118.7 | -175.7 | -25.5 | 34 | 0 | 0 | 0 | 111.9 | G717 | P715-G717 VanDerWaalsContact C-N 3.31Å; P715-G717 PolarHBondContact O-N 3.11Å |
| 716 | S | 35.1 | Very low | 56.1 | Low | 119 Ų | 119 | 79.3 Ų | 79.3 | 83% | 0.832 | 46% | 0.459 | S | S | * | . | trans | -80.5 | 82.5 | 163.2 | 55.1 | 0 | 0 | 0 | 0 | 108.4 | R714 | R714-S716 PolarHBondContact O-N 2.85Å; R714-S716 VanDerWaalsContact O-N 3.1Å | ||
| 717 | G | 31.2 | Very low | 56.5 | Low | 60 Ų | 60 | 79.8 Ų | 79.8 | 62% | 0.619 | 46% | 0.46 | S | S | * | . | trans | -72.1 | 134.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | P715 S719 | P715-G717 VanDerWaalsContact C-N 3.31Å; P715-G717 PolarHBondContact O-N 3.11Å; G717-S719 PolarHBondContact O-N 2.99Å | ||
| 718 | P | 45.5 | Very low | 56.6 | Low | 138 Ų | 138 | 76.7 Ų | 76.7 | 90% | 0.896 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -81.6 | 70.1 | 168.1 | 35.2 | -33.2 | 0 | 0 | 0 | 109.5 | ||
| 719 | S | 42.5 | Very low | 57 | Low | 97 Ų | 97 | 77.7 Ų | 77.7 | 68% | 0.678 | 46% | 0.463 | S | S | * | . | trans | -138.7 | 73.5 | 167.6 | -170.2 | 0 | 0 | 0 | 0 | 108.3 | G717 | G717-S719 PolarHBondContact O-N 2.99Š| ||
| 720 | S | 45.8 | Very low | 57.4 | Low | 55 Ų | 55 | 81 Ų | 81 | 39% | 0.385 | 48% | 0.476 | S | S | . | . | trans | -91.6 | 102.1 | 173.5 | 56.9 | 0 | 0 | 0 | 0 | 108.6 | I803 | S720-I803 WeakPolarHBondContact O-CD1 3.21Š| ||
| 721 | S | 54.1 | Low | 58.4 | Low | 35 Ų | 35 | 75.8 Ų | 75.8 | 25% | 0.245 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 146.4 | 156 | 44 | 0 | 0 | 0 | 0 | 109 | N750 V751 | S721-N750 PolarHBondContact O-ND2 3.18Å; S721-N750 PolarHBondContact OG-ND2 3.02Å; S721-V751 WeakPolarHBondContact O-CG2 3.13Å |
| 722 | P | 55.8 | Low | 59.7 | Low | 48 Ų | 48 | 72.3 Ų | 72.3 | 31% | 0.312 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 136.7 | 177.8 | -23.6 | 32 | 0 | 0 | 0 | 110.3 | L724 N750 I803 | P722-L724 PolarHBondContact O-N 3.33Å; P722-N750 PolarHBondContact O-ND2 3.15Å; P722-I803 HydrophobicContact CB-CD1 4.3Å; P722-I803 HydrophobicContact CG-CD1 4.06Å |
| 723 | P | 63.9 | Low | 61.7 | Low | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 135.4 | 178 | 27.8 | -36.9 | 0 | 0 | 0 | 109.3 | N750 V751 I753 S798 G805 | P723-N750 WeakPolarHBondContact CA-OD1 3.5Å; P723-V751 HydrophobicContact CB-CB 4.43Å; P723-I753 HydrophobicContact CB-CG1 4.4Å; P723-S798 WeakPolarHBondContact CG-O 3.31Å; P723-G805 WeakPolarHBondContact O-CA 3.33Å |
| 724 | L | 72 | Confident | 64.1 | Low | 62 Ų | 62 | 67 Ų | 67 | 33% | 0.325 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 151.7 | -178.2 | -71.4 | 175.9 | 0 | 0 | 0 | 112.1 | P722 P746 F748 N750 S798 | P722-L724 PolarHBondContact O-N 3.33Å; L724-P746 HydrophobicContact CB-CB 3.77Å; L724-P746 HydrophobicContact CB-CG 4.21Å; L724-P746 WeakPolarHBondContact O-CG 3.35Å; L724-F748 HydrophobicContact CD1-CB 4.28Å; L724-N750 PolarHBondContact N-OD1 2.85Å; L724-S798 WeakPolarHBondContact O-CB 3.04Å; L724-S798 PolarHBondContact O-OG 2.83Å |
| 725 | P | 77.1 | Confident | 67.1 | Low | 35 Ų | 35 | 57.2 Ų | 57.2 | 23% | 0.227 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 145.9 | 178.1 | 27.6 | -32.5 | 0 | 0 | 0 | 110.4 | P806 | P725-P806 HydrophobicContact CB-CG 4.43Å; P725-P806 HydrophobicContact CG-CG 4.25Å |
| 726 | P | 79.9 | Confident | 69.9 | Low | 7 Ų | 7 | 52.6 Ų | 52.6 | 5% | 0.045 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 142.4 | 174.3 | -27 | 37.7 | 0 | 0 | 0 | 112.7 | V729 W743 Y756 V796 | P726-V729 HydrophobicContact CB-CG2 4.34Å; P726-W743 HydrophobicContact CB-CB 3.92Å; P726-W743 HydrophobicContact CB-CG 3.91Å; P726-Y756 HydrophobicContact CG-CD1 3.71Å; P726-Y756 HydrophobicContact CG-CE1 3.93Å; P726-V796 HydrophobicContact CB-CB 4.48Å; P726-V796 WeakPolarHBondContact CD-O 3.05Å; P726-V796 HydrophobicContact CG-CB 4.04Å; P726-V796 HydrophobicContact CG-CG1 3.84Å |
| 727 | S | 77.8 | Confident | 72.5 | Confident | 28 Ų | 28 | 49.8 Ų | 49.8 | 20% | 0.196 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 165.9 | 175 | 51.9 | 0 | 0 | 0 | 0 | 111.5 | V729 E744 K745 | S727-V729 PolarHBondContact O-N 2.65Å; S727-V729 VanDerWaalsContact O-N 3.15Å; S727-E744 PolarHBondContact N-O 2.84Å; S727-E744 PolarHBondContact O-N 2.85Å; S727-K745 PolarHBondContact OG-O 3.48Å |
| 728 | S | 81.7 | Confident | 75.3 | Confident | 53 Ų | 53 | 47.1 Ų | 47.1 | 37% | 0.371 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 55.4 | 37.2 | 171 | -47.1 | 0 | 0 | 0 | 0 | 113.3 | Q730 E744 | S728-Q730 PolarHBondContact O-N 2.7Å; S728-E744 WeakPolarHBondContact CB-OE2 3.46Å; S728-E744 PolarHBondContact OG-OE2 3.02Å |
| 729 | V | 82.4 | Confident | 77.5 | Confident | 25 Ų | 25 | 40.6 Ų | 40.6 | 15% | 0.152 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 121.8 | 178.2 | -174.7 | 0 | 0 | 0 | 0 | 108.8 | P726 S727 L741 R742 W743 V796 V811 | P726-V729 HydrophobicContact CB-CG2 4.34Å; S727-V729 PolarHBondContact O-N 2.65Å; S727-V729 VanDerWaalsContact O-N 3.15Å; V729-L741 HydrophobicContact CG1-CD1 3.89Å; V729-L741 HydrophobicContact CG1-CG 4.38Å; V729-R742 CarbonylContact C-O 3.53Å; V729-R742 WeakPolarHBondContact CA-O 3.45Å; V729-W743 HydrophobicContact CG2-CB 3.99Å; V729-V796 HydrophobicContact CG1-CG2 3.9Å; V729-V796 HydrophobicContact CG2-CG2 4.35Å; V729-V811 HydrophobicContact CB-CG2 4.05Å; V729-V811 HydrophobicContact CG1-CG2 3.83Å |
| 730 | Q | 82.1 | Confident | 79.9 | Confident | 123 Ų | 123 | 38.7 Ų | 38.7 | 58% | 0.575 | 23% | 0.232 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 128.2 | -180 | -68.8 | 177.9 | 10 | 0 | 0 | 108.9 | S728 L741 R742 | S728-Q730 PolarHBondContact O-N 2.7Å; Q730-L741 WeakPolarHBondContact O-CA 3.33Å; Q730-R742 PolarHBondContact N-O 2.93Å; Q730-R742 PolarHBondContact O-N 2.68Å |
| 731 | A | 89.6 | Confident | 82.2 | Confident | 14 Ų | 14 | 36.1 Ų | 36.1 | 12% | 0.116 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 140.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | V739 W740 L741 L794 V811 E813 | A731-V739 HydrophobicContact CB-CG1 4.18Å; A731-W740 CarbonylContact C-O 3.6Å; A731-W740 WeakPolarHBondContact CA-O 3.45Å; A731-L741 HydrophobicContact CB-CD1 3.71Å; A731-L794 HydrophobicContact CB-CD1 3.89Å; A731-V811 HydrophobicContact CB-CG1 3.76Å; A731-E813 HydrophobicContact CB-CB 3.51Å; A731-E813 HydrophobicContact CB-CG 3.95Å |
| 732 | T | 88.1 | Confident | 83.9 | Confident | 54 Ų | 54 | 39.1 Ų | 39.1 | 33% | 0.331 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 124 | 175.8 | 55.8 | 0 | 0 | 0 | 0 | 109.3 | N734 W740 E813 | T732-N734 PolarHBondContact O-N 2.86Å; T732-W740 PolarHBondContact N-O 3.27Å; T732-W740 PolarHBondContact O-N 2.84Å; T732-W740 WeakPolarHBondContact OG1-CB 3.24Å; T732-E813 WeakPolarHBondContact CA-OE1 3.34Å |
| 733 | A | 88.7 | Confident | 85.7 | Confident | 28 Ų | 28 | 37.3 Ų | 37.3 | 23% | 0.231 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 128.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | E813 A814 L816 | A733-E813 PolarHBondContact N-OE1 2.85Å; A733-A814 VanDerWaalsContact CB-O 3.22Å; A733-A814 WeakPolarHBondContact CB-O 3.08Å; A733-L816 HydrophobicContact CB-CD2 3.7Å; A733-L816 HydrophobicContact CB-CG 3.83Å |
| 734 | N | 90.8 | Very high | 86.7 | Confident | 73 Ų | 73 | 42 Ų | 42 | 39% | 0.39 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | -36.2 | -177.9 | 178.6 | 81.2 | 0 | 0 | 0 | 112.2 | T732 S738 W740 L782 | T732-N734 PolarHBondContact O-N 2.86Å; N734-S738 PolarHBondContact N-O 3.01Å; N734-S738 PolarHBondContact ND2-OG 3.37Å; N734-W740 HydrophobicContact CB-CG 4.38Å; N734-W740 PolarHBondContact OD1-NE1 3.23Å; N734-L782 HydrophobicContact CB-CD1 3.76Å |
| 735 | S | 92.6 | Very high | 87.2 | Confident | 34 Ų | 34 | 44.5 Ų | 44.5 | 24% | 0.238 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | -173.9 | 170.2 | 74.3 | 0 | 0 | 0 | 0 | 109.8 | T737 S738 L816 | S735-T737 PolarHBondContact O-N 3.32Å; S735-T737 PolarHBondContact OG-N 2.83Å; S735-T737 VanDerWaalsContact OG-N 3.1Å; S735-T737 PolarHBondContact OG-OG1 2.86Å; S735-S738 WeakPolarHBondContact CB-OG 3.4Å; S735-S738 PolarHBondContact N-O 3.36Å; S735-S738 PolarHBondContact N-OG 2.82Å; S735-S738 PolarHBondContact OG-N 2.93Å; S735-S738 PolarHBondContact OG-OG 3.32Å; S735-L816 PolarHBondContact O-N 3.09Å |
| 736 | S | 90.8 | Very high | 87 | Confident | 17 Ų | 17 | 43.2 Ų | 43.2 | 12% | 0.119 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -25 | 168.5 | 51.7 | 0 | 0 | 0 | 0 | 113.8 | P788 T815 L816 D818 | S736-P788 WeakPolarHBondContact O-CA 3.33Å; S736-T815 VanDerWaalsContact O-CB 3.25Å; S736-T815 WeakPolarHBondContact O-CB 3.5Å; S736-L816 VanDerWaalsContact CA-O 3.25Å; S736-L816 WeakPolarHBondContact CA-O 3.27Å; S736-D818 WeakPolarHBondContact CB-OD2 3.41Å; S736-D818 PolarHBondContact OG-OD2 2.84Å |
| 737 | T | 91.1 | Very high | 86.2 | Confident | 59 Ų | 59 | 52.7 Ų | 52.7 | 36% | 0.362 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | 12.4 | -175.1 | 54.7 | 0 | 0 | 0 | 0 | 113.2 | S735 R784 G785 L786 P788 | S735-T737 PolarHBondContact O-N 3.32Å; S735-T737 PolarHBondContact OG-N 2.83Å; S735-T737 VanDerWaalsContact OG-N 3.1Å; S735-T737 PolarHBondContact OG-OG1 2.86Å; T737-R784 CarbonylContact O-C 3.51Å; T737-G785 PolarHBondContact O-N 2.9Å; T737-L786 WeakPolarHBondContact CA-O 3.35Å; T737-L786 WeakPolarHBondContact CB-O 3.46Å; T737-L786 WeakPolarHBondContact CG2-O 3.29Å; T737-L786 PolarHBondContact O-N 2.91Å; T737-P788 HydrophobicContact CG2-CG 4.21Å |
| 738 | S | 89.2 | Confident | 85 | Confident | 5 Ų | 5 | 59 Ų | 59 | 4% | 0.035 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 145.3 | -178.1 | 66.7 | 0 | 0 | 0 | 0 | 115.1 | N734 S735 L783 | N734-S738 PolarHBondContact N-O 3.01Å; N734-S738 PolarHBondContact ND2-OG 3.37Å; S735-S738 WeakPolarHBondContact CB-OG 3.4Å; S735-S738 PolarHBondContact N-O 3.36Å; S735-S738 PolarHBondContact N-OG 2.82Å; S735-S738 PolarHBondContact OG-N 2.93Å; S735-S738 PolarHBondContact OG-OG 3.32Å; S738-L783 CarbonylContact C-O 3.57Å; S738-L783 WeakPolarHBondContact CA-O 3.5Å; S738-L783 WeakPolarHBondContact CB-O 3.27Å |
| 739 | V | 91.9 | Very high | 83.9 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 129 | 176.8 | 171.7 | 0 | 0 | 0 | 0 | 108.1 | A731 L783 L786 L794 E813 T815 | A731-V739 HydrophobicContact CB-CG1 4.18Å; V739-L783 PolarHBondContact N-O 2.89Å; V739-L783 VanDerWaalsContact N-O 3.11Å; V739-L783 PolarHBondContact O-N 3.35Å; V739-L786 HydrophobicContact CB-CD1 3.98Å; V739-L786 HydrophobicContact CG2-CD1 3.77Å; V739-L794 HydrophobicContact CG1-CD1 4.42Å; V739-E813 HydrophobicContact CG1-CB 4.48Å; V739-E813 HydrophobicContact CG1-CG 4.11Å; V739-E813 HydrophobicContact CG2-CG 4.47Å; V739-T815 HydrophobicContact CG2-CG2 3.93Å |
| 740 | W | 93.1 | Very high | 82.7 | Confident | 58 Ų | 58 | 63 Ų | 63 | 22% | 0.22 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 129.7 | 165.6 | -94.1 | 116.7 | 0 | 0 | 0 | 109 | A731 T732 N734 E780 I781 L782 | A731-W740 CarbonylContact C-O 3.6Å; A731-W740 WeakPolarHBondContact CA-O 3.45Å; T732-W740 PolarHBondContact N-O 3.27Å; T732-W740 PolarHBondContact O-N 2.84Å; T732-W740 WeakPolarHBondContact OG1-CB 3.24Å; N734-W740 HydrophobicContact CB-CG 4.38Å; N734-W740 PolarHBondContact OD1-NE1 3.23Å; W740-E780 HydrophobicContact CE3-CB 4.15Å; W740-E780 HydrophobicContact CE3-CG 4.47Å; W740-E780 HydrophobicContact CH2-CG 4.39Å; W740-E780 HydrophobicContact CZ3-CB 3.82Å; W740-E780 HydrophobicContact CZ3-CG 3.7Å; W740-I781 VanDerWaalsContact CE3-C 3.44Å; W740-I781 VanDerWaalsContact CE3-O 3.32Å; W740-L782 HydrophobicContact CD2-CB 3.97Å; W740-L782 HydrophobicContact CD2-CD1 4.09Å; W740-L782 HydrophobicContact CE3-CB 3.99Å; W740-L782 HydrophobicContact CG-CD1 3.99Å; W740-L782 HydrophobicContact CH2-CB 3.97Å; W740-L782 HydrophobicContact CZ2-CB 3.93Å; W740-L782 HydrophobicContact CZ2-CD2 4.28Å; W740-L782 HydrophobicContact CZ3-CB 3.99Å |
| 741 | L | 92.8 | Very high | 81.9 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 126.8 | 170 | -167.2 | 70.1 | 0 | 0 | 0 | 108.1 | V729 Q730 A731 W743 V758 E780 I781 L794 V796 | V729-L741 HydrophobicContact CG1-CD1 3.89Å; V729-L741 HydrophobicContact CG1-CG 4.38Å; Q730-L741 WeakPolarHBondContact O-CA 3.33Å; A731-L741 HydrophobicContact CB-CD1 3.71Å; L741-W743 HydrophobicContact CB-CZ3 4.17Å; L741-W743 HydrophobicContact CD2-CE3 4.42Å; L741-W743 HydrophobicContact CD2-CZ3 4.14Å; L741-W743 HydrophobicContact CG-CE3 4.1Å; L741-W743 HydrophobicContact CG-CZ3 4.03Å; L741-W743 WeakPolarHBondContact O-CZ3 3.21Å; L741-V758 HydrophobicContact CD2-CB 4.32Å; L741-V758 HydrophobicContact CD2-CG1 3.41Å; L741-V758 VanDerWaalsContact CD2-CG1 3.41Å; L741-V758 HydrophobicContact CD2-CG2 3.91Å; L741-E780 CarbonylContact O-C 3.56Å; L741-E780 WeakPolarHBondContact O-CA 3.38Å; L741-E780 WeakPolarHBondContact O-CB 3.4Å; L741-I781 HydrophobicContact CB-CG2 4.19Å; L741-I781 PolarHBondContact N-O 2.93Å; L741-I781 PolarHBondContact O-N 2.9Å; L741-L794 HydrophobicContact CD1-CB 4.09Å; L741-L794 HydrophobicContact CD2-CB 4.35Å; L741-L794 HydrophobicContact CD2-CD2 4.43Å; L741-V796 HydrophobicContact CD2-CG2 3.52Å; L741-V796 HydrophobicContact CG-CG2 4.2Å |
| 742 | R | 90.9 | Very high | 81.3 | Confident | 98 Ų | 98 | 67.3 Ų | 67.3 | 37% | 0.37 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 149.1 | 179.1 | -55.8 | -165 | 173.6 | 92.8 | 4 | 109.7 | V729 Q730 E780 | V729-R742 CarbonylContact C-O 3.53Å; V729-R742 WeakPolarHBondContact CA-O 3.45Å; Q730-R742 PolarHBondContact N-O 2.93Å; Q730-R742 PolarHBondContact O-N 2.68Å; R742-E780 HydrophobicContact CB-CB 4.4Å; R742-E780 HydrophobicContact CG-CB 3.86Å; R742-E780 IonicContact CZ-OE2 3.68Å; R742-E780 IonicContact NE-OE2 3.08Å; R742-E780 PolarHBondContact NE-OE2 2.82Å; R742-E780 IonicContact NH2-OE2 3.95Å |
| 743 | W | 92.7 | Very high | 80.8 | Confident | 11 Ų | 11 | 66.3 Ų | 66.3 | 4% | 0.042 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 164.1 | 177.6 | 55.5 | 90.9 | 0 | 0 | 0 | 110.8 | P726 V729 L741 Y756 V758 S778 L779 I781 V796 | P726-W743 HydrophobicContact CB-CB 3.92Å; P726-W743 HydrophobicContact CB-CG 3.91Å; V729-W743 HydrophobicContact CG2-CB 3.99Å; L741-W743 HydrophobicContact CB-CZ3 4.17Å; L741-W743 HydrophobicContact CD2-CE3 4.42Å; L741-W743 HydrophobicContact CD2-CZ3 4.14Å; L741-W743 HydrophobicContact CG-CE3 4.1Å; L741-W743 HydrophobicContact CG-CZ3 4.03Å; L741-W743 WeakPolarHBondContact O-CZ3 3.21Å; W743-Y756 AromaticContact CE2-CD2 3.98Å; W743-Y756 AromaticContact CE2-CG 3.81Å; W743-Y756 AromaticContact CZ2-CD2 3.84Å; W743-Y756 HydrophobicContact CZ2-CD2 3.84Å; W743-Y756 AromaticContact CZ2-CG 3.79Å; W743-Y756 HydrophobicContact CZ2-CG 3.79Å; W743-Y756 AromaticContact NE1-CD1 3.39Å; W743-Y756 AromaticContact NE1-CD2 3.48Å; W743-Y756 AromaticContact NE1-CE1 3.59Å; W743-Y756 AromaticContact NE1-CE2 3.68Å; W743-Y756 AromaticContact NE1-CG 3.36Å; W743-Y756 AromaticContact NE1-CZ 3.75Å; W743-V758 HydrophobicContact CH2-CG2 3.95Å; W743-V758 HydrophobicContact CZ3-CG2 4.08Å; W743-S778 VanDerWaalsContact CZ2-O 3.3Å; W743-S778 WeakPolarHBondContact CZ2-O 3.46Å; W743-L779 PolarHBondContact N-O 3.29Å; W743-L779 WeakPolarHBondContact O-CB 3.1Å; W743-I781 HydrophobicContact CH2-CB 4.12Å; W743-I781 HydrophobicContact CH2-CG2 3.93Å; W743-I781 HydrophobicContact CZ3-CB 4.48Å; W743-I781 HydrophobicContact CZ3-CG2 3.94Å; W743-V796 HydrophobicContact CD2-CB 4.46Å; W743-V796 HydrophobicContact CD2-CG1 3.92Å; W743-V796 HydrophobicContact CD2-CG2 4.09Å; W743-V796 HydrophobicContact CE3-CG1 4.21Å; W743-V796 HydrophobicContact CE3-CG2 3.72Å; W743-V796 HydrophobicContact CG-CG1 4.39Å; W743-V796 HydrophobicContact CH2-CG1 4.37Å; W743-V796 HydrophobicContact CZ2-CG1 4.08Å; W743-V796 HydrophobicContact CZ3-CG1 4.42Å; W743-V796 HydrophobicContact CZ3-CG2 4.13Å |
| 744 | E | 86 | Confident | 80.4 | Confident | 99 Ų | 99 | 69.1 Ų | 69.1 | 46% | 0.463 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 157.1 | 170.3 | -67.7 | 178.6 | 146 | 0 | 0 | 110.3 | S727 S728 | S727-E744 PolarHBondContact N-O 2.84Å; S727-E744 PolarHBondContact O-N 2.85Å; S728-E744 WeakPolarHBondContact CB-OE2 3.46Å; S728-E744 PolarHBondContact OG-OE2 3.02Å |
| 745 | K | 81 | Confident | 80.1 | Confident | 114 Ų | 114 | 67.9 Ų | 67.9 | 50% | 0.496 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 145.6 | 166.2 | -66.9 | -175 | 179.8 | 172.7 | 0 | 108.7 | S727 R747 I749 L779 | S727-K745 PolarHBondContact OG-O 3.48Å; K745-R747 PolarHBondContact O-N 3.11Å; K745-I749 HydrophobicContact CB-CD1 4.23Å; K745-I749 HydrophobicContact CD-CD1 4.03Å; K745-L779 HydrophobicContact CG-CD1 4.09Å; K745-L779 HydrophobicContact CG-CD2 3.64Å; K745-L779 HydrophobicContact CG-CG 4.47Å |
| 746 | P | 74.9 | Confident | 79.8 | Confident | 7 Ų | 7 | 66.6 Ų | 66.6 | 5% | 0.045 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -51.1 | 133.3 | 171.4 | -20.9 | 30.3 | 0 | 0 | 0 | 109.9 | L724 F748 I753 | L724-P746 HydrophobicContact CB-CB 3.77Å; L724-P746 HydrophobicContact CB-CG 4.21Å; L724-P746 WeakPolarHBondContact O-CG 3.35Å; P746-F748 PolarHBondContact O-N 2.71Å; P746-I753 HydrophobicContact CG-CD1 4.06Å |
| 747 | R | 61.1 | Low | 79.5 | Confident | 206 Ų | 206 | 66.4 Ų | 66.4 | 78% | 0.777 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -55.1 | -25.3 | -175.9 | -69 | -175.4 | 176.7 | 177.2 | -0.4 | 113.4 | K745 | K745-R747 PolarHBondContact O-N 3.11Š|
| 748 | F | 53 | Low | 79.3 | Confident | 160 Ų | 160 | 63.6 Ų | 63.6 | 70% | 0.702 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -122.2 | 126.7 | 169.9 | -58 | -78.8 | 0 | 0 | 0 | 109.1 | L724 P746 | L724-F748 HydrophobicContact CD1-CB 4.28Å; P746-F748 PolarHBondContact O-N 2.71Å |
| 749 | I | 58.5 | Low | 79 | Confident | 96 Ų | 96 | 65.6 Ų | 65.6 | 49% | 0.492 | 29% | 0.287 | S | S | . | . | trans | -106 | 95.2 | -179.3 | -58.1 | 178.7 | 0 | 0 | 0 | 108.3 | K745 V751 I753 | K745-I749 HydrophobicContact CB-CD1 4.23Å; K745-I749 HydrophobicContact CD-CD1 4.03Å; I749-V751 WeakPolarHBondContact CG2-O 3.31Å; I749-I753 HydrophobicContact CG2-CG1 4.5Å | ||
| 750 | N | 57.7 | Low | 78.7 | Confident | 68 Ų | 68 | 65.6 Ų | 65.6 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | trans | -75.3 | -28.3 | 177.4 | 59.3 | -36.2 | 0 | 0 | 0 | 113.3 | S721 P722 P723 L724 | S721-N750 PolarHBondContact O-ND2 3.18Å; S721-N750 PolarHBondContact OG-ND2 3.02Å; P722-N750 PolarHBondContact O-ND2 3.15Å; P723-N750 WeakPolarHBondContact CA-OD1 3.5Å; L724-N750 PolarHBondContact N-OD1 2.85Å | ||
| 751 | V | 66.3 | Low | 78.3 | Confident | 24 Ų | 24 | 63.3 Ų | 63.3 | 15% | 0.145 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -136.8 | 148.5 | -178.4 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | S721 P723 I749 I753 | S721-V751 WeakPolarHBondContact O-CG2 3.13Å; P723-V751 HydrophobicContact CB-CB 4.43Å; I749-V751 WeakPolarHBondContact CG2-O 3.31Å; V751-I753 PolarHBondContact O-N 3.04Å |
| 752 | R | 76.3 | Confident | 77.8 | Confident | 202 Ų | 202 | 64.6 Ų | 64.6 | 76% | 0.762 | 29% | 0.288 | S | S | * | . | trans | -60.4 | 105.6 | 173.4 | -177.9 | -176.3 | -179 | -177.8 | 1.3 | 110.4 | G800 | R752-G800 WeakPolarHBondContact O-CA 3.49Š| ||
| 753 | I | 78.2 | Confident | 77.3 | Confident | 33 Ų | 33 | 62 Ų | 62 | 17% | 0.169 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 128.3 | 172.8 | -54.7 | 173.9 | 0 | 0 | 0 | 109.1 | P723 P746 I749 V751 N755 Y756 N799 | P723-I753 HydrophobicContact CB-CG1 4.4Å; P746-I753 HydrophobicContact CG-CD1 4.06Å; I749-I753 HydrophobicContact CG2-CG1 4.5Å; V751-I753 PolarHBondContact O-N 3.04Å; I753-N755 WeakPolarHBondContact CG2-O 3.36Å; I753-Y756 HydrophobicContact CD1-CE1 4.28Å; I753-Y756 HydrophobicContact CG2-CD1 4.49Å; I753-Y756 HydrophobicContact CG2-CE1 3.91Å; I753-Y756 HydrophobicContact CG2-CE2 4.25Å; I753-N799 CarbonylContact C-O 3.49Å; I753-N799 WeakPolarHBondContact CA-O 3.46Å |
| 754 | I | 80.3 | Confident | 75.9 | Confident | 87 Ų | 87 | 64.6 Ų | 64.6 | 45% | 0.446 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | -37.6 | 177.5 | 57.2 | 168 | 0 | 0 | 0 | 112.3 | N799 G800 V801 | I754-N799 HydrophobicContact CG1-CB 4.37Å; I754-N799 VanDerWaalsContact CG1-O 3.32Å; I754-N799 WeakPolarHBondContact CG1-O 3.28Å; I754-N799 PolarHBondContact N-O 2.87Å; I754-G800 VanDerWaalsContact CD1-O 3.29Å; I754-G800 WeakPolarHBondContact CD1-O 3.46Å; I754-V801 HydrophobicContact CG2-CG2 3.81Å |
| 755 | N | 83.8 | Confident | 75 | Confident | 47 Ų | 47 | 62.1 Ų | 62.1 | 25% | 0.251 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.1 | -178.8 | 175.4 | 64.5 | 22 | 0 | 0 | 0 | 109.3 | I753 S776 N799 | I753-N755 WeakPolarHBondContact CG2-O 3.36Å; N755-S776 WeakPolarHBondContact CA-O 3.09Å; N755-S776 WeakPolarHBondContact CB-O 3.38Å; N755-N799 PolarHBondContact O-N 2.87Å; N755-N799 WeakPolarHBondContact OD1-CB 3.14Å; N755-N799 PolarHBondContact OD1-ND2 2.81Å |
| 756 | Y | 87.2 | Confident | 74 | Confident | 8 Ų | 8 | 63.7 Ų | 63.7 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 147.6 | 174.2 | -56.1 | -86.9 | 0 | 0 | 0 | 109.8 | P726 W743 I753 T775 S776 S778 L779 V796 R797 | P726-Y756 HydrophobicContact CG-CD1 3.71Å; P726-Y756 HydrophobicContact CG-CE1 3.93Å; W743-Y756 AromaticContact CE2-CD2 3.98Å; W743-Y756 AromaticContact CE2-CG 3.81Å; W743-Y756 AromaticContact CZ2-CD2 3.84Å; W743-Y756 HydrophobicContact CZ2-CD2 3.84Å; W743-Y756 AromaticContact CZ2-CG 3.79Å; W743-Y756 HydrophobicContact CZ2-CG 3.79Å; W743-Y756 AromaticContact NE1-CD1 3.39Å; W743-Y756 AromaticContact NE1-CD2 3.48Å; W743-Y756 AromaticContact NE1-CE1 3.59Å; W743-Y756 AromaticContact NE1-CE2 3.68Å; W743-Y756 AromaticContact NE1-CG 3.36Å; W743-Y756 AromaticContact NE1-CZ 3.75Å; I753-Y756 HydrophobicContact CD1-CE1 4.28Å; I753-Y756 HydrophobicContact CG2-CD1 4.49Å; I753-Y756 HydrophobicContact CG2-CE1 3.91Å; I753-Y756 HydrophobicContact CG2-CE2 4.25Å; Y756-T775 VanDerWaalsContact O-CA 3.27Å; Y756-T775 WeakPolarHBondContact O-CA 3.41Å; Y756-S776 PolarHBondContact N-O 2.81Å; Y756-S776 PolarHBondContact O-N 2.83Å; Y756-S778 VanDerWaalsContact CD2-O 3.23Å; Y756-S778 WeakPolarHBondContact CD2-O 3.23Å; Y756-L779 HydrophobicContact CE2-CD2 3.77Å; Y756-L779 WeakPolarHBondContact OH-CD2 3.32Å; Y756-V796 HydrophobicContact CD1-CG1 4.3Å; Y756-V796 HydrophobicContact CG-CG1 4.39Å; Y756-R797 CarbonylContact C-O 3.57Å; Y756-R797 WeakPolarHBondContact CA-O 3.29Å; Y756-R797 WeakPolarHBondContact CB-O 3.33Å |
| 757 | T | 83.5 | Confident | 73.5 | Confident | 12 Ų | 12 | 67.2 Ų | 67.2 | 7% | 0.074 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 128.8 | 166 | -60.7 | 0 | 0 | 0 | 0 | 109.1 | Y773 Y774 V796 R797 N799 F807 | T757-Y773 HydrophobicContact CG2-CD1 4Å; T757-Y774 CarbonylContact C-O 3.44Å; T757-Y774 VanDerWaalsContact CA-O 3.31Å; T757-Y774 WeakPolarHBondContact CA-O 3.3Å; T757-V796 CarbonylContact O-C 3.57Å; T757-V796 WeakPolarHBondContact O-CA 3.37Å; T757-R797 PolarHBondContact N-O 2.81Å; T757-R797 PolarHBondContact O-N 2.82Å; T757-N799 PolarHBondContact N-ND2 3.48Å; T757-N799 PolarHBondContact OG1-ND2 3.05Å; T757-F807 HydrophobicContact CG2-CE1 4.42Å; T757-F807 HydrophobicContact CG2-CZ 4.34Å |
| 758 | V | 86.9 | Confident | 73.3 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 130.9 | 171.2 | 179.5 | 0 | 0 | 0 | 0 | 108.5 | L741 W743 Y773 Y774 I781 L783 A795 V796 | L741-V758 HydrophobicContact CD2-CB 4.32Å; L741-V758 HydrophobicContact CD2-CG1 3.41Å; L741-V758 VanDerWaalsContact CD2-CG1 3.41Å; L741-V758 HydrophobicContact CD2-CG2 3.91Å; W743-V758 HydrophobicContact CH2-CG2 3.95Å; W743-V758 HydrophobicContact CZ3-CG2 4.08Å; V758-Y773 WeakPolarHBondContact O-CA 3.48Å; V758-Y774 PolarHBondContact N-O 3.1Å; V758-Y774 PolarHBondContact O-N 2.88Å; V758-I781 HydrophobicContact CG2-CG2 3.89Å; V758-L783 HydrophobicContact CG1-CD1 4.17Å; V758-L783 HydrophobicContact CG1-CD2 4.45Å; V758-A795 CarbonylContact C-O 3.11Å; V758-A795 WeakPolarHBondContact CA-O 3.34Å; V758-V796 HydrophobicContact CG2-CG1 4.1Å; V758-V796 HydrophobicContact CG2-CG2 4.12Å |
| 759 | R | 84.1 | Confident | 73.6 | Confident | 47 Ų | 47 | 58.2 Ų | 58.2 | 18% | 0.177 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 141.4 | 160.4 | 68.3 | 172.3 | 179.4 | 92.4 | 3.1 | 109.1 | Y773 L794 A795 F807 T810 | R759-Y773 HydrophobicContact CB-CD1 4.05Å; R759-Y773 HydrophobicContact CB-CE1 3.78Å; R759-L794 WeakPolarHBondContact O-CA 3.48Å; R759-A795 HydrophobicContact CG-CB 3.9Å; R759-A795 PolarHBondContact N-O 2.77Å; R759-A795 PolarHBondContact O-N 3.05Å; R759-A795 VanDerWaalsContact O-N 3.14Å; R759-F807 HydrophobicContact CB-CD1 4.44Å; R759-F807 HydrophobicContact CB-CE1 3.85Å; R759-F807 HydrophobicContact CB-CZ 4.06Å; R759-F807 HydrophobicContact CG-CD1 3.96Å; R759-F807 HydrophobicContact CG-CE1 3.88Å; R759-F807 HydrophobicContact CG-CG 4.49Å; R759-F807 HydrophobicContact CG-CZ 4.35Å; R759-T810 PolarHBondContact NH2-OG1 2.87Å |
| 760 | C | 85.6 | Confident | 74 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.007 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 127.9 | 175.5 | -176.8 | 0 | 0 | 0 | 0 | 109 | S772 Y774 L783 Y792 E793 L794 | C760-S772 PolarHBondContact N-O 2.92Å; C760-S772 PolarHBondContact O-N 2.88Å; C760-Y774 HydrophobicContact CB-CD2 4.39Å; C760-Y774 HydrophobicContact CB-CE2 3.9Å; C760-L783 HydrophobicContact CB-CD1 3.92Å; C760-Y792 WeakPolarHBondContact SG-CD1 3.39Å; C760-E793 WeakPolarHBondContact CA-O 3.34Å; C760-L794 HydrophobicContact CB-CD2 4.25Å |
| 761 | S | 84.7 | Confident | 74.5 | Confident | 9 Ų | 9 | 55.5 Ų | 55.5 | 6% | 0.063 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 149.8 | 177.9 | 49.5 | 0 | 0 | 0 | 0 | 110.5 | A763 Y792 E793 | S761-A763 PolarHBondContact O-N 3.09Å; S761-Y792 CarbonylContact O-C 3.57Å; S761-Y792 WeakPolarHBondContact O-CA 3.2Å; S761-Y792 WeakPolarHBondContact O-CD1 3.48Å; S761-E793 PolarHBondContact N-O 2.78Å; S761-E793 VanDerWaalsContact N-O 3.08Å; S761-E793 PolarHBondContact O-N 2.9Å |
| 762 | P | 82.2 | Confident | 74.9 | Confident | 27 Ų | 27 | 56.9 Ų | 56.9 | 18% | 0.175 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.7 | 134.5 | 168.1 | -24.3 | 33.9 | 0 | 0 | 0 | 110.6 | G764 T765 L770 Y792 | P762-G764 PolarHBondContact O-N 3.29Å; P762-T765 WeakPolarHBondContact O-CB 3.2Å; P762-T765 VanDerWaalsContact O-CG2 3.26Å; P762-T765 WeakPolarHBondContact O-CG2 3.37Å; P762-T765 PolarHBondContact O-N 3.21Å; P762-L770 WeakPolarHBondContact CD-O 3.31Å; P762-L770 HydrophobicContact CG-CB 4.43Å; P762-Y792 HydrophobicContact CG-CE1 4.04Å |
| 763 | A | 78.6 | Confident | 75.2 | Confident | 43 Ų | 43 | 54.1 Ų | 54.1 | 36% | 0.355 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 137.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S761 T765 H791 E793 | S761-A763 PolarHBondContact O-N 3.09Å; A763-T765 VanDerWaalsContact C-N 3.26Å; A763-T765 PolarHBondContact O-N 3.01Å; A763-H791 HydrophobicContact CB-CB 3.94Å; A763-H791 PolarHBondContact N-O 2.99Å; A763-E793 WeakPolarHBondContact CA-OE1 3.33Å; A763-E793 HydrophobicContact CB-CG 4.02Å |
| 764 | G | 64.9 | Low | 75.4 | Confident | 66 Ų | 66 | 55.5 Ų | 55.5 | 68% | 0.68 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 8.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116 | P762 E793 | P762-G764 PolarHBondContact O-N 3.29Å; G764-E793 PolarHBondContact N-OE1 3.33Å |
| 765 | T | 66.7 | Low | 75.6 | Confident | 47 Ų | 47 | 56 Ų | 56 | 29% | 0.288 | 34% | 0.34 | S | S | . | . | trans | -74.8 | 132.9 | 176.9 | -160.8 | 0 | 0 | 0 | 0 | 112.5 | P762 A763 N767 L770 | P762-T765 WeakPolarHBondContact O-CB 3.2Å; P762-T765 VanDerWaalsContact O-CG2 3.26Å; P762-T765 WeakPolarHBondContact O-CG2 3.37Å; P762-T765 PolarHBondContact O-N 3.21Å; A763-T765 VanDerWaalsContact C-N 3.26Å; A763-T765 PolarHBondContact O-N 3.01Å; T765-N767 PolarHBondContact OG1-N 3.36Å; T765-L770 HydrophobicContact CG2-CB 4.42Å | ||
| 766 | T | 59.5 | Low | 75.6 | Confident | 148 Ų | 148 | 54.5 Ų | 54.5 | 91% | 0.908 | 33% | 0.334 | S | S | * | . | trans | -94.4 | -6.9 | 168.2 | 54.7 | 0 | 0 | 0 | 0 | 112.6 | A768 | T766-A768 PolarHBondContact O-N 2.96Š| ||
| 767 | N | 64.5 | Low | 75.4 | Confident | 81 Ų | 81 | 59.2 Ų | 59.2 | 43% | 0.433 | 37% | 0.368 | S | S | . | . | trans | -84.6 | 105.1 | -177 | -174.9 | -1.1 | 0 | 0 | 0 | 111.1 | T765 S769 L770 | T765-N767 PolarHBondContact OG1-N 3.36Å; N767-S769 PolarHBondContact ND2-OG 3.22Å; N767-S769 PolarHBondContact O-N 3.35Å; N767-S769 VanDerWaalsContact O-N 3.1Å; N767-S769 PolarHBondContact OD1-N 3.45Å; N767-S769 VanDerWaalsContact OD1-N 3.17Å; N767-S769 PolarHBondContact OD1-OG 3.27Å; N767-L770 HydrophobicContact CB-CD1 4.21Å; N767-L770 HydrophobicContact CB-CG 4.35Å; N767-L770 PolarHBondContact O-N 2.83Å | ||
| 768 | A | 57.6 | Low | 75.5 | Confident | 80 Ų | 80 | 61.5 Ų | 61.5 | 66% | 0.661 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -56.5 | -25.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | T766 L770 V771 | T766-A768 PolarHBondContact O-N 2.96Å; A768-L770 PolarHBondContact O-N 2.94Å; A768-V771 PolarHBondContact O-N 2.88Å |
| 769 | S | 59.3 | Low | 75.6 | Confident | 96 Ų | 96 | 64.5 Ų | 64.5 | 67% | 0.671 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -72.5 | -12.9 | 178.6 | 70.2 | 0 | 0 | 0 | 0 | 114.1 | N767 | N767-S769 PolarHBondContact ND2-OG 3.22Å; N767-S769 PolarHBondContact O-N 3.35Å; N767-S769 VanDerWaalsContact O-N 3.1Å; N767-S769 PolarHBondContact OD1-N 3.45Å; N767-S769 VanDerWaalsContact OD1-N 3.17Å; N767-S769 PolarHBondContact OD1-OG 3.27Å |
| 770 | L | 65.6 | Low | 76 | Confident | 65 Ų | 65 | 65.6 Ų | 65.6 | 34% | 0.34 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -91.7 | 0.6 | 175 | -60.6 | 178.7 | 0 | 0 | 0 | 113.1 | P762 T765 N767 A768 | P762-L770 WeakPolarHBondContact CD-O 3.31Å; P762-L770 HydrophobicContact CG-CB 4.43Å; T765-L770 HydrophobicContact CG2-CB 4.42Å; N767-L770 HydrophobicContact CB-CD1 4.21Å; N767-L770 HydrophobicContact CB-CG 4.35Å; N767-L770 PolarHBondContact O-N 2.83Å; A768-L770 PolarHBondContact O-N 2.94Å |
| 771 | V | 69.1 | Low | 76.2 | Confident | 42 Ų | 42 | 66.8 Ų | 66.8 | 26% | 0.255 | 41% | 0.413 | S | S | . | . | trans | -87.4 | 115.4 | 177.2 | -172.9 | 0 | 0 | 0 | 0 | 109.8 | A768 Y773 | A768-V771 PolarHBondContact O-N 2.88Å; V771-Y773 HydrophobicContact CB-CE2 4.47Å; V771-Y773 HydrophobicContact CG1-CD2 4.49Å; V771-Y773 HydrophobicContact CG1-CE1 4.44Å; V771-Y773 HydrophobicContact CG1-CE2 3.78Å | ||
| 772 | S | 75.1 | Confident | 76.6 | Confident | 53 Ų | 53 | 68 Ų | 68 | 37% | 0.371 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 140.3 | 176.9 | -63.8 | 0 | 0 | 0 | 0 | 111.3 | C760 | C760-S772 PolarHBondContact N-O 2.92Å; C760-S772 PolarHBondContact O-N 2.88Å |
| 773 | Y | 81.6 | Confident | 77 | Confident | 144 Ų | 144 | 66.7 Ų | 66.7 | 57% | 0.565 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 131.7 | 176.4 | -65.4 | -83.6 | 0 | 0 | 0 | 110.8 | T757 V758 R759 V771 F807 | T757-Y773 HydrophobicContact CG2-CD1 4Å; V758-Y773 WeakPolarHBondContact O-CA 3.48Å; R759-Y773 HydrophobicContact CB-CD1 4.05Å; R759-Y773 HydrophobicContact CB-CE1 3.78Å; V771-Y773 HydrophobicContact CB-CE2 4.47Å; V771-Y773 HydrophobicContact CG1-CD2 4.49Å; V771-Y773 HydrophobicContact CG1-CE1 4.44Å; V771-Y773 HydrophobicContact CG1-CE2 3.78Å; Y773-F807 HydrophobicContact CD1-CZ 4.32Å; Y773-F807 AromaticContact CE1-CZ 3.93Å; Y773-F807 HydrophobicContact CE1-CZ 3.93Å |
| 774 | Y | 83.5 | Confident | 77.6 | Confident | 63 Ų | 63 | 73.2 Ų | 73.2 | 25% | 0.247 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 153 | 179.7 | -54 | -96.9 | 0 | 0 | 0 | 110 | T757 V758 C760 L783 | T757-Y774 CarbonylContact C-O 3.44Å; T757-Y774 VanDerWaalsContact CA-O 3.31Å; T757-Y774 WeakPolarHBondContact CA-O 3.3Å; V758-Y774 PolarHBondContact N-O 3.1Å; V758-Y774 PolarHBondContact O-N 2.88Å; C760-Y774 HydrophobicContact CB-CD2 4.39Å; C760-Y774 HydrophobicContact CB-CE2 3.9Å; Y774-L783 HydrophobicContact CD1-CD2 4.01Å; Y774-L783 HydrophobicContact CD2-CD2 3.54Å; Y774-L783 HydrophobicContact CE1-CD2 4.35Å; Y774-L783 HydrophobicContact CE2-CD1 4.48Å; Y774-L783 HydrophobicContact CE2-CD2 3.93Å; Y774-L783 HydrophobicContact CG-CD2 3.58Å |
| 775 | T | 84.1 | Confident | 78.6 | Confident | 96 Ų | 96 | 73.5 Ų | 73.5 | 59% | 0.589 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 137.2 | 176.6 | 50.8 | 0 | 0 | 0 | 0 | 111.2 | Y756 | Y756-T775 VanDerWaalsContact O-CA 3.27Å; Y756-T775 WeakPolarHBondContact O-CA 3.41Å |
| 776 | S | 83.3 | Confident | 79.7 | Confident | 17 Ų | 17 | 71.8 Ų | 71.8 | 12% | 0.119 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 137.8 | 174.4 | -173.5 | 0 | 0 | 0 | 0 | 110.2 | N755 Y756 S778 E780 | N755-S776 WeakPolarHBondContact CA-O 3.09Å; N755-S776 WeakPolarHBondContact CB-O 3.38Å; Y756-S776 PolarHBondContact N-O 2.81Å; Y756-S776 PolarHBondContact O-N 2.83Å; S776-S778 PolarHBondContact OG-N 2.79Å; S776-S778 VanDerWaalsContact OG-N 3.09Å; S776-S778 PolarHBondContact OG-O 2.81Å; S776-E780 PolarHBondContact OG-O 2.92Å |
| 777 | S | 82.6 | Confident | 81.1 | Confident | 107 Ų | 107 | 71.8 Ų | 71.8 | 75% | 0.748 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -85.9 | -12 | 166.6 | 51.2 | 0 | 0 | 0 | 0 | 112.5 | ||
| 778 | S | 86.3 | Confident | 82.2 | Confident | 60 Ų | 60 | 69.1 Ų | 69.1 | 42% | 0.42 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -87.9 | 173.6 | 174.9 | -166.9 | 0 | 0 | 0 | 0 | 111.5 | W743 Y756 S776 | W743-S778 VanDerWaalsContact CZ2-O 3.3Å; W743-S778 WeakPolarHBondContact CZ2-O 3.46Å; Y756-S778 VanDerWaalsContact CD2-O 3.23Å; Y756-S778 WeakPolarHBondContact CD2-O 3.23Å; S776-S778 PolarHBondContact OG-N 2.79Å; S776-S778 VanDerWaalsContact OG-N 3.09Å; S776-S778 PolarHBondContact OG-O 2.81Å |
| 779 | L | 90 | Very high | 83.7 | Confident | 62 Ų | 62 | 69.5 Ų | 69.5 | 33% | 0.325 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -86.7 | 7.6 | 172 | -66.4 | -178.5 | 0 | 0 | 0 | 113.5 | W743 K745 Y756 | W743-L779 PolarHBondContact N-O 3.29Å; W743-L779 WeakPolarHBondContact O-CB 3.1Å; K745-L779 HydrophobicContact CG-CD1 4.09Å; K745-L779 HydrophobicContact CG-CD2 3.64Å; K745-L779 HydrophobicContact CG-CG 4.47Å; Y756-L779 HydrophobicContact CE2-CD2 3.77Å; Y756-L779 WeakPolarHBondContact OH-CD2 3.32Å |
| 780 | E | 90.8 | Very high | 85 | Confident | 71 Ų | 71 | 66.6 Ų | 66.6 | 33% | 0.332 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 160.4 | 173.3 | 57.9 | 175.1 | -169 | 0 | 0 | 110.8 | W740 L741 R742 S776 | W740-E780 HydrophobicContact CE3-CB 4.15Å; W740-E780 HydrophobicContact CE3-CG 4.47Å; W740-E780 HydrophobicContact CH2-CG 4.39Å; W740-E780 HydrophobicContact CZ3-CB 3.82Å; W740-E780 HydrophobicContact CZ3-CG 3.7Å; L741-E780 CarbonylContact O-C 3.56Å; L741-E780 WeakPolarHBondContact O-CA 3.38Å; L741-E780 WeakPolarHBondContact O-CB 3.4Å; R742-E780 HydrophobicContact CB-CB 4.4Å; R742-E780 HydrophobicContact CG-CB 3.86Å; R742-E780 IonicContact CZ-OE2 3.68Å; R742-E780 IonicContact NE-OE2 3.08Å; R742-E780 PolarHBondContact NE-OE2 2.82Å; R742-E780 IonicContact NH2-OE2 3.95Å; S776-E780 PolarHBondContact OG-O 2.92Å |
| 781 | I | 90.9 | Very high | 86 | Confident | 26 Ų | 26 | 68.8 Ų | 68.8 | 13% | 0.133 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 142 | 167.8 | -163.2 | 176.1 | 0 | 0 | 0 | 109.8 | W740 L741 W743 V758 L783 | W740-I781 VanDerWaalsContact CE3-C 3.44Å; W740-I781 VanDerWaalsContact CE3-O 3.32Å; L741-I781 HydrophobicContact CB-CG2 4.19Å; L741-I781 PolarHBondContact N-O 2.93Å; L741-I781 PolarHBondContact O-N 2.9Å; W743-I781 HydrophobicContact CH2-CB 4.12Å; W743-I781 HydrophobicContact CH2-CG2 3.93Å; W743-I781 HydrophobicContact CZ3-CB 4.48Å; W743-I781 HydrophobicContact CZ3-CG2 3.94Å; V758-I781 HydrophobicContact CG2-CG2 3.89Å; I781-L783 HydrophobicContact CD1-CD2 4.04Å; I781-L783 HydrophobicContact CG1-CD2 4.28Å; I781-L783 HydrophobicContact CG2-CD2 3.65Å; I781-L783 HydrophobicContact CG2-CG 4.19Å |
| 782 | L | 93.3 | Very high | 86.7 | Confident | 34 Ų | 34 | 67.4 Ų | 67.4 | 18% | 0.178 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 106.6 | 168 | 179.3 | 56.9 | 0 | 0 | 0 | 108.8 | N734 W740 R784 | N734-L782 HydrophobicContact CB-CD1 3.76Å; W740-L782 HydrophobicContact CD2-CB 3.97Å; W740-L782 HydrophobicContact CD2-CD1 4.09Å; W740-L782 HydrophobicContact CE3-CB 3.99Å; W740-L782 HydrophobicContact CG-CD1 3.99Å; W740-L782 HydrophobicContact CH2-CB 3.97Å; W740-L782 HydrophobicContact CZ2-CB 3.93Å; W740-L782 HydrophobicContact CZ2-CD2 4.28Å; W740-L782 HydrophobicContact CZ3-CB 3.99Å; L782-R784 HydrophobicContact CG-CG 4.11Å |
| 783 | L | 90.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 131.4 | 174 | -55.4 | -174.9 | 0 | 0 | 0 | 108.7 | S738 V739 V758 C760 Y774 I781 L786 L794 | S738-L783 CarbonylContact C-O 3.57Å; S738-L783 WeakPolarHBondContact CA-O 3.5Å; S738-L783 WeakPolarHBondContact CB-O 3.27Å; V739-L783 PolarHBondContact N-O 2.89Å; V739-L783 VanDerWaalsContact N-O 3.11Å; V739-L783 PolarHBondContact O-N 3.35Å; V758-L783 HydrophobicContact CG1-CD1 4.17Å; V758-L783 HydrophobicContact CG1-CD2 4.45Å; C760-L783 HydrophobicContact CB-CD1 3.92Å; Y774-L783 HydrophobicContact CD1-CD2 4.01Å; Y774-L783 HydrophobicContact CD2-CD2 3.54Å; Y774-L783 HydrophobicContact CE1-CD2 4.35Å; Y774-L783 HydrophobicContact CE2-CD1 4.48Å; Y774-L783 HydrophobicContact CE2-CD2 3.93Å; Y774-L783 HydrophobicContact CG-CD2 3.58Å; I781-L783 HydrophobicContact CD1-CD2 4.04Å; I781-L783 HydrophobicContact CG1-CD2 4.28Å; I781-L783 HydrophobicContact CG2-CD2 3.65Å; I781-L783 HydrophobicContact CG2-CG 4.19Å; L783-L786 HydrophobicContact CB-CD1 4.15Å; L783-L794 HydrophobicContact CD1-CD2 3.3Å |
| 784 | R | 90.4 | Very high | 87.4 | Confident | 180 Ų | 180 | 60.6 Ų | 60.6 | 68% | 0.679 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 158.1 | -175 | -62.8 | 179.2 | -179.4 | -112.2 | 7 | 110.7 | T737 L782 L786 | T737-R784 CarbonylContact O-C 3.51Å; L782-R784 HydrophobicContact CG-CG 4.11Å; R784-L786 VanDerWaalsContact C-N 3.33Å |
| 785 | G | 85.6 | Confident | 87.2 | Confident | 72 Ų | 72 | 57.6 Ų | 57.6 | 74% | 0.742 | 31% | 0.308 | S | S | * | . | S | Bend | trans | 77.8 | 21.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T737 | T737-G785 PolarHBondContact O-N 2.9Š|
| 786 | L | 90.8 | Very high | 87.3 | Confident | 10 Ų | 10 | 53 Ų | 53 | 5% | 0.052 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 156.5 | 173.1 | -56.3 | -177.6 | 0 | 0 | 0 | 110 | T737 V739 L783 R784 Y792 T815 | T737-L786 WeakPolarHBondContact CA-O 3.35Å; T737-L786 WeakPolarHBondContact CB-O 3.46Å; T737-L786 WeakPolarHBondContact CG2-O 3.29Å; T737-L786 PolarHBondContact O-N 2.91Å; V739-L786 HydrophobicContact CB-CD1 3.98Å; V739-L786 HydrophobicContact CG2-CD1 3.77Å; L783-L786 HydrophobicContact CB-CD1 4.15Å; R784-L786 VanDerWaalsContact C-N 3.33Å; L786-Y792 HydrophobicContact CB-CE2 3.76Å; L786-Y792 HydrophobicContact CD1-CD2 4.28Å; L786-Y792 HydrophobicContact CD1-CE2 4.33Å; L786-Y792 HydrophobicContact CD2-CD1 4.36Å; L786-Y792 HydrophobicContact CD2-CE1 3.93Å; L786-Y792 HydrophobicContact CD2-CE2 4.35Å; L786-Y792 HydrophobicContact CG-CE2 4.36Å; L786-T815 HydrophobicContact CB-CG2 3.76Å; L786-T815 HydrophobicContact CD1-CG2 4.02Å |
| 787 | R | 87.4 | Confident | 87.3 | Confident | 148 Ų | 148 | 55.5 Ų | 55.5 | 56% | 0.558 | 29% | 0.286 | S | S | * | . | P | Polyproline II helix | trans | -73.8 | 141.5 | 175.7 | -63.3 | -178.2 | -167 | -106.5 | 3 | 110.2 | T790 Y792 T815 | R787-T790 HydrophobicContact CB-CG2 4.43Å; R787-T790 WeakPolarHBondContact CB-OG1 3.46Å; R787-T790 WeakPolarHBondContact O-CB 3.43Å; R787-Y792 PolarHBondContact N-OH 2.84Å; R787-T815 WeakPolarHBondContact O-CB 3.45Å; R787-T815 PolarHBondContact O-OG1 2.78Å |
| 788 | P | 89.3 | Confident | 87.3 | Confident | 26 Ų | 26 | 50.4 Ų | 50.4 | 17% | 0.169 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | 150 | 170.8 | -26.7 | 36.9 | 0 | 0 | 0 | 114.3 | S736 T737 T790 D818 N848 | S736-P788 WeakPolarHBondContact O-CA 3.33Å; T737-P788 HydrophobicContact CG2-CG 4.21Å; P788-T790 PolarHBondContact O-N 2.89Å; P788-T790 PolarHBondContact O-OG1 2.94Å; P788-D818 HydrophobicContact CB-CB 4.17Å; P788-D818 HydrophobicContact CG-CB 4.41Å; P788-N848 HydrophobicContact CB-CB 3.6Å; P788-N848 HydrophobicContact CG-CB 4.22Å |
| 789 | F | 89 | Confident | 86.9 | Confident | 87 Ų | 87 | 48.2 Ų | 48.2 | 38% | 0.382 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.2 | 34.5 | 174.6 | -162.6 | -120.4 | 0 | 0 | 0 | 115 | T815 L816 P817 N848 I850 | F789-T815 PolarHBondContact N-OG1 3.47Å; F789-T815 VanDerWaalsContact N-OG1 3.09Å; F789-L816 PolarHBondContact N-O 2.82Å; F789-L816 VanDerWaalsContact N-O 3.14Å; F789-P817 HydrophobicContact CD2-CB 3.95Å; F789-N848 WeakPolarHBondContact CB-O 3.29Å; F789-I850 HydrophobicContact CE1-CG1 4.2Å; F789-I850 HydrophobicContact CZ-CD1 4.29Å; F789-I850 HydrophobicContact CZ-CG1 3.83Å |
| 790 | T | 84.9 | Confident | 86.2 | Confident | 36 Ų | 36 | 45.4 Ų | 45.4 | 22% | 0.221 | 22% | 0.22 | C | C | . | . | trans | -115.5 | 133.3 | -173 | -63.3 | 0 | 0 | 0 | 0 | 109.2 | R787 P788 Y792 A814 T815 | R787-T790 HydrophobicContact CB-CG2 4.43Å; R787-T790 WeakPolarHBondContact CB-OG1 3.46Å; R787-T790 WeakPolarHBondContact O-CB 3.43Å; P788-T790 PolarHBondContact O-N 2.89Å; P788-T790 PolarHBondContact O-OG1 2.94Å; T790-Y792 HydrophobicContact CG2-CD2 4.13Å; T790-Y792 HydrophobicContact CG2-CE2 3.59Å; T790-Y792 WeakPolarHBondContact O-CD2 3.36Å; T790-A814 WeakPolarHBondContact O-CA 3.35Å; T790-T815 PolarHBondContact N-OG1 2.86Å; T790-T815 PolarHBondContact O-N 3.03Å; T790-T815 PolarHBondContact O-OG1 3.18Å | ||
| 791 | H | 87 | Confident | 85.2 | Confident | 110 Ų | 110 | 45.9 Ų | 45.9 | 51% | 0.509 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 130.7 | 175 | -67.7 | 73.6 | 0 | 0 | 0 | 109.7 | A763 V812 | A763-H791 HydrophobicContact CB-CB 3.94Å; A763-H791 PolarHBondContact N-O 2.99Å; H791-V812 HydrophobicContact CB-CG1 4.49Å |
| 792 | Y | 84.8 | Confident | 83.8 | Confident | 14 Ų | 14 | 52.7 Ų | 52.7 | 6% | 0.055 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 136.7 | 179.6 | -78.4 | -86.3 | 0 | 0 | 0 | 111.1 | C760 S761 P762 L786 R787 T790 L794 V812 E813 T815 | C760-Y792 WeakPolarHBondContact SG-CD1 3.39Å; S761-Y792 CarbonylContact O-C 3.57Å; S761-Y792 WeakPolarHBondContact O-CA 3.2Å; S761-Y792 WeakPolarHBondContact O-CD1 3.48Å; P762-Y792 HydrophobicContact CG-CE1 4.04Å; L786-Y792 HydrophobicContact CB-CE2 3.76Å; L786-Y792 HydrophobicContact CD1-CD2 4.28Å; L786-Y792 HydrophobicContact CD1-CE2 4.33Å; L786-Y792 HydrophobicContact CD2-CD1 4.36Å; L786-Y792 HydrophobicContact CD2-CE1 3.93Å; L786-Y792 HydrophobicContact CD2-CE2 4.35Å; L786-Y792 HydrophobicContact CG-CE2 4.36Å; R787-Y792 PolarHBondContact N-OH 2.84Å; T790-Y792 HydrophobicContact CG2-CD2 4.13Å; T790-Y792 HydrophobicContact CG2-CE2 3.59Å; T790-Y792 WeakPolarHBondContact O-CD2 3.36Å; Y792-L794 WeakPolarHBondContact O-CD1 3.15Å; Y792-V812 WeakPolarHBondContact O-CA 3.28Å; Y792-E813 PolarHBondContact N-O 2.91Å; Y792-E813 PolarHBondContact O-N 3.5Å; Y792-T815 HydrophobicContact CD2-CG2 4.28Å; Y792-T815 HydrophobicContact CE2-CG2 4.17Å |
| 793 | E | 85.9 | Confident | 82.4 | Confident | 53 Ų | 53 | 53 Ų | 53 | 25% | 0.248 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 123.9 | 167.1 | -80.8 | 176.4 | -133.8 | 0 | 0 | 110 | C760 S761 A763 G764 T810 V812 | C760-E793 WeakPolarHBondContact CA-O 3.34Å; S761-E793 PolarHBondContact N-O 2.78Å; S761-E793 VanDerWaalsContact N-O 3.08Å; S761-E793 PolarHBondContact O-N 2.9Å; A763-E793 WeakPolarHBondContact CA-OE1 3.33Å; A763-E793 HydrophobicContact CB-CG 4.02Å; G764-E793 PolarHBondContact N-OE1 3.33Å; E793-T810 HydrophobicContact CB-CG2 3.63Å; E793-T810 HydrophobicContact CG-CG2 3.69Å; E793-V812 HydrophobicContact CG-CG2 4.05Å |
| 794 | L | 85 | Confident | 81.1 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 136.1 | -172.4 | -57.8 | 124.7 | 0 | 0 | 0 | 109.6 | A731 V739 L741 R759 C760 L783 Y792 T810 V811 E813 | A731-L794 HydrophobicContact CB-CD1 3.89Å; V739-L794 HydrophobicContact CG1-CD1 4.42Å; L741-L794 HydrophobicContact CD1-CB 4.09Å; L741-L794 HydrophobicContact CD2-CB 4.35Å; L741-L794 HydrophobicContact CD2-CD2 4.43Å; R759-L794 WeakPolarHBondContact O-CA 3.48Å; C760-L794 HydrophobicContact CB-CD2 4.25Å; L783-L794 HydrophobicContact CD1-CD2 3.3Å; Y792-L794 WeakPolarHBondContact O-CD1 3.15Å; L794-T810 WeakPolarHBondContact O-CA 3.46Å; L794-V811 PolarHBondContact N-O 2.98Å; L794-V811 PolarHBondContact O-N 3Å; L794-E813 HydrophobicContact CD1-CB 3.95Å |
| 795 | A | 80.2 | Confident | 79.9 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 154.9 | 168 | 0 | 0 | 0 | 0 | 0 | 111.1 | V758 R759 F807 | V758-A795 CarbonylContact C-O 3.11Å; V758-A795 WeakPolarHBondContact CA-O 3.34Å; R759-A795 HydrophobicContact CG-CB 3.9Å; R759-A795 PolarHBondContact N-O 2.77Å; R759-A795 PolarHBondContact O-N 3.05Å; R759-A795 VanDerWaalsContact O-N 3.14Å; A795-F807 HydrophobicContact CB-CB 4.09Å; A795-F807 HydrophobicContact CB-CD1 4.22Å |
| 796 | V | 85.1 | Confident | 79 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 138 | -175.1 | -164.1 | 0 | 0 | 0 | 0 | 109.6 | P726 V729 L741 W743 Y756 T757 V758 F807 S808 | P726-V796 HydrophobicContact CB-CB 4.48Å; P726-V796 WeakPolarHBondContact CD-O 3.05Å; P726-V796 HydrophobicContact CG-CB 4.04Å; P726-V796 HydrophobicContact CG-CG1 3.84Å; V729-V796 HydrophobicContact CG1-CG2 3.9Å; V729-V796 HydrophobicContact CG2-CG2 4.35Å; L741-V796 HydrophobicContact CD2-CG2 3.52Å; L741-V796 HydrophobicContact CG-CG2 4.2Å; W743-V796 HydrophobicContact CD2-CB 4.46Å; W743-V796 HydrophobicContact CD2-CG1 3.92Å; W743-V796 HydrophobicContact CD2-CG2 4.09Å; W743-V796 HydrophobicContact CE3-CG1 4.21Å; W743-V796 HydrophobicContact CE3-CG2 3.72Å; W743-V796 HydrophobicContact CG-CG1 4.39Å; W743-V796 HydrophobicContact CH2-CG1 4.37Å; W743-V796 HydrophobicContact CZ2-CG1 4.08Å; W743-V796 HydrophobicContact CZ3-CG1 4.42Å; W743-V796 HydrophobicContact CZ3-CG2 4.13Å; Y756-V796 HydrophobicContact CD1-CG1 4.3Å; Y756-V796 HydrophobicContact CG-CG1 4.39Å; T757-V796 CarbonylContact O-C 3.57Å; T757-V796 WeakPolarHBondContact O-CA 3.37Å; V758-V796 HydrophobicContact CG2-CG1 4.1Å; V758-V796 HydrophobicContact CG2-CG2 4.12Å; V796-F807 CarbonylContact O-C 3.52Å; V796-S808 PolarHBondContact N-OG 3.04Å; V796-S808 WeakPolarHBondContact O-CB 3.45Å; V796-S808 PolarHBondContact O-N 2.82Å; V796-S808 PolarHBondContact O-OG 3.24Å |
| 797 | R | 82.8 | Confident | 78.3 | Confident | 70 Ų | 70 | 48 Ų | 48 | 26% | 0.264 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 149.4 | 165.2 | 65.7 | 174.9 | -176.1 | -152.1 | -2.4 | 110.9 | Y756 T757 N799 G805 P806 F807 | Y756-R797 CarbonylContact C-O 3.57Å; Y756-R797 WeakPolarHBondContact CA-O 3.29Å; Y756-R797 WeakPolarHBondContact CB-O 3.33Å; T757-R797 PolarHBondContact N-O 2.81Å; T757-R797 PolarHBondContact O-N 2.82Å; R797-N799 PolarHBondContact NE-OD1 2.63Å; R797-G805 VanDerWaalsContact CD-O 3.23Å; R797-G805 WeakPolarHBondContact CD-O 3.38Å; R797-P806 WeakPolarHBondContact CB-O 3.25Å; R797-F807 HydrophobicContact CB-CD1 3.87Å; R797-F807 HydrophobicContact CB-CE1 4.15Å; R797-F807 HydrophobicContact CB-CG 4.13Å; R797-F807 HydrophobicContact CG-CD1 4.01Å; R797-F807 HydrophobicContact CG-CE1 3.74Å; R797-F807 HydrophobicContact CG-CE2 4.49Å; R797-F807 HydrophobicContact CG-CG 4.48Å; R797-F807 HydrophobicContact CG-CZ 4Å |
| 798 | S | 83.4 | Confident | 77.9 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 144.4 | 165.9 | -55.9 | 0 | 0 | 0 | 0 | 109.4 | P723 L724 G805 | P723-S798 WeakPolarHBondContact CG-O 3.31Å; L724-S798 WeakPolarHBondContact O-CB 3.04Å; L724-S798 PolarHBondContact O-OG 2.83Å; S798-G805 WeakPolarHBondContact O-CA 3.4Å; S798-G805 PolarHBondContact O-N 3.36Å |
| 799 | N | 78.6 | Confident | 76.8 | Confident | 14 Ų | 14 | 41 Ų | 41 | 8% | 0.075 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 136.6 | 168.3 | -49.2 | -60.1 | 0 | 0 | 0 | 109.6 | I753 I754 N755 T757 R797 A804 | I753-N799 CarbonylContact C-O 3.49Å; I753-N799 WeakPolarHBondContact CA-O 3.46Å; I754-N799 HydrophobicContact CG1-CB 4.37Å; I754-N799 VanDerWaalsContact CG1-O 3.32Å; I754-N799 WeakPolarHBondContact CG1-O 3.28Å; I754-N799 PolarHBondContact N-O 2.87Å; N755-N799 PolarHBondContact O-N 2.87Å; N755-N799 WeakPolarHBondContact OD1-CB 3.14Å; N755-N799 PolarHBondContact OD1-ND2 2.81Å; T757-N799 PolarHBondContact N-ND2 3.48Å; T757-N799 PolarHBondContact OG1-ND2 3.05Å; R797-N799 PolarHBondContact NE-OD1 2.63Å; N799-A804 WeakPolarHBondContact OD1-CB 3.49Å |
| 800 | G | 74.8 | Confident | 76.2 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | -173.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R752 I754 N802 I803 | R752-G800 WeakPolarHBondContact O-CA 3.49Å; I754-G800 VanDerWaalsContact CD1-O 3.29Å; I754-G800 WeakPolarHBondContact CD1-O 3.46Å; G800-N802 PolarHBondContact O-N 3.09Å; G800-I803 PolarHBondContact N-O 3.04Å |
| 801 | V | 68.8 | Low | 75.8 | Confident | 81 Ų | 81 | 40.2 Ų | 40.2 | 49% | 0.491 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 108 | 176.4 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | I754 I803 | I754-V801 HydrophobicContact CG2-CG2 3.81Å; V801-I803 VanDerWaalsContact C-N 3.26Å; V801-I803 PolarHBondContact O-N 3.29Å |
| 802 | N | 61.5 | Low | 75.7 | Confident | 169 Ų | 169 | 38.8 Ų | 38.8 | 90% | 0.904 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 18.5 | -180 | -53.2 | -24.9 | 0 | 0 | 0 | 116.2 | G800 | G800-N802 PolarHBondContact O-N 3.09Š|
| 803 | I | 63.4 | Low | 76 | Confident | 41 Ų | 41 | 40.8 Ų | 40.8 | 21% | 0.21 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 135.8 | 176.6 | -171 | 168.3 | 0 | 0 | 0 | 111.2 | S720 P722 G800 V801 | S720-I803 WeakPolarHBondContact O-CD1 3.21Å; P722-I803 HydrophobicContact CB-CD1 4.3Å; P722-I803 HydrophobicContact CG-CD1 4.06Å; G800-I803 PolarHBondContact N-O 3.04Å; V801-I803 VanDerWaalsContact C-N 3.26Å; V801-I803 PolarHBondContact O-N 3.29Å |
| 804 | A | 63.9 | Low | 76.1 | Confident | 45 Ų | 45 | 39.6 Ų | 39.6 | 37% | 0.372 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 140.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | N799 | N799-A804 WeakPolarHBondContact OD1-CB 3.49Å |
| 805 | G | 66.1 | Low | 76.4 | Confident | 7 Ų | 7 | 39.7 Ų | 39.7 | 7% | 0.072 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 170.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | P723 R797 S798 | P723-G805 WeakPolarHBondContact O-CA 3.33Å; R797-G805 VanDerWaalsContact CD-O 3.23Å; R797-G805 WeakPolarHBondContact CD-O 3.38Å; S798-G805 WeakPolarHBondContact O-CA 3.4Å; S798-G805 PolarHBondContact O-N 3.36Å |
| 806 | P | 65.9 | Low | 76.8 | Confident | 57 Ų | 57 | 43.5 Ų | 43.5 | 37% | 0.37 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 157.7 | 165.7 | 31.5 | -35.4 | 0 | 0 | 0 | 110.4 | P725 R797 | P725-P806 HydrophobicContact CB-CG 4.43Å; P725-P806 HydrophobicContact CG-CG 4.25Å; R797-P806 WeakPolarHBondContact CB-O 3.25Å |
| 807 | F | 75.8 | Confident | 77.1 | Confident | 47 Ų | 47 | 44.6 Ų | 44.6 | 21% | 0.206 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 150.7 | 168.1 | -73.7 | -82.3 | 0 | 0 | 0 | 110.5 | T757 R759 Y773 A795 V796 R797 | T757-F807 HydrophobicContact CG2-CE1 4.42Å; T757-F807 HydrophobicContact CG2-CZ 4.34Å; R759-F807 HydrophobicContact CB-CD1 4.44Å; R759-F807 HydrophobicContact CB-CE1 3.85Å; R759-F807 HydrophobicContact CB-CZ 4.06Å; R759-F807 HydrophobicContact CG-CD1 3.96Å; R759-F807 HydrophobicContact CG-CE1 3.88Å; R759-F807 HydrophobicContact CG-CG 4.49Å; R759-F807 HydrophobicContact CG-CZ 4.35Å; Y773-F807 HydrophobicContact CD1-CZ 4.32Å; Y773-F807 AromaticContact CE1-CZ 3.93Å; Y773-F807 HydrophobicContact CE1-CZ 3.93Å; A795-F807 HydrophobicContact CB-CB 4.09Å; A795-F807 HydrophobicContact CB-CD1 4.22Å; V796-F807 CarbonylContact O-C 3.52Å; R797-F807 HydrophobicContact CB-CD1 3.87Å; R797-F807 HydrophobicContact CB-CE1 4.15Å; R797-F807 HydrophobicContact CB-CG 4.13Å; R797-F807 HydrophobicContact CG-CD1 4.01Å; R797-F807 HydrophobicContact CG-CE1 3.74Å; R797-F807 HydrophobicContact CG-CE2 4.49Å; R797-F807 HydrophobicContact CG-CG 4.48Å; R797-F807 HydrophobicContact CG-CZ 4Å |
| 808 | S | 80.1 | Confident | 77.5 | Confident | 12 Ų | 12 | 43.3 Ų | 43.3 | 8% | 0.084 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 170.6 | 165.5 | 67.3 | 0 | 0 | 0 | 0 | 111.4 | V796 | V796-S808 PolarHBondContact N-OG 3.04Å; V796-S808 WeakPolarHBondContact O-CB 3.45Å; V796-S808 PolarHBondContact O-N 2.82Å; V796-S808 PolarHBondContact O-OG 3.24Å |
| 809 | G | 65.8 | Low | 77.9 | Confident | 17 Ų | 17 | 50.6 Ų | 50.6 | 18% | 0.175 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -51.2 | 150.2 | 159.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 810 | T | 76.7 | Confident | 78.6 | Confident | 67 Ų | 67 | 50 Ų | 50 | 41% | 0.411 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 129.5 | 176.2 | -44.2 | 0 | 0 | 0 | 0 | 110 | R759 E793 L794 | R759-T810 PolarHBondContact NH2-OG1 2.87Å; E793-T810 HydrophobicContact CB-CG2 3.63Å; E793-T810 HydrophobicContact CG-CG2 3.69Å; L794-T810 WeakPolarHBondContact O-CA 3.46Å |
| 811 | V | 75.8 | Confident | 79.4 | Confident | 38 Ų | 38 | 52.6 Ų | 52.6 | 23% | 0.23 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 136.1 | 164 | -176.1 | 0 | 0 | 0 | 0 | 107.6 | V729 A731 L794 | V729-V811 HydrophobicContact CB-CG2 4.05Å; V729-V811 HydrophobicContact CG1-CG2 3.83Å; A731-V811 HydrophobicContact CB-CG1 3.76Å; L794-V811 PolarHBondContact N-O 2.98Å; L794-V811 PolarHBondContact O-N 3Å |
| 812 | V | 86.4 | Confident | 80.5 | Confident | 80 Ų | 80 | 50.3 Ų | 50.3 | 49% | 0.485 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 130.4 | 174.8 | -177.2 | 0 | 0 | 0 | 0 | 108.5 | H791 Y792 E793 | H791-V812 HydrophobicContact CB-CG1 4.49Å; Y792-V812 WeakPolarHBondContact O-CA 3.28Å; E793-V812 HydrophobicContact CG-CG2 4.05Å |
| 813 | E | 90.5 | Very high | 82.1 | Confident | 57 Ų | 57 | 44.1 Ų | 44.1 | 27% | 0.266 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 144 | 175.4 | -178.4 | 66.6 | 168.4 | 0 | 0 | 110.2 | A731 T732 A733 V739 Y792 L794 | A731-E813 HydrophobicContact CB-CB 3.51Å; A731-E813 HydrophobicContact CB-CG 3.95Å; T732-E813 WeakPolarHBondContact CA-OE1 3.34Å; A733-E813 PolarHBondContact N-OE1 2.85Å; V739-E813 HydrophobicContact CG1-CB 4.48Å; V739-E813 HydrophobicContact CG1-CG 4.11Å; V739-E813 HydrophobicContact CG2-CG 4.47Å; Y792-E813 PolarHBondContact N-O 2.91Å; Y792-E813 PolarHBondContact O-N 3.5Å; L794-E813 HydrophobicContact CD1-CB 3.95Å |
| 814 | A | 87.7 | Confident | 83.5 | Confident | 27 Ų | 27 | 42.4 Ų | 42.4 | 22% | 0.223 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 138.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | A733 T790 | A733-A814 VanDerWaalsContact CB-O 3.22Å; A733-A814 WeakPolarHBondContact CB-O 3.08Å; T790-A814 WeakPolarHBondContact O-CA 3.35Å |
| 815 | T | 90.6 | Very high | 84.8 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.012 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -63 | 152 | 163.6 | 44.8 | 0 | 0 | 0 | 0 | 110.7 | S736 V739 L786 R787 F789 T790 Y792 | S736-T815 VanDerWaalsContact O-CB 3.25Å; S736-T815 WeakPolarHBondContact O-CB 3.5Å; V739-T815 HydrophobicContact CG2-CG2 3.93Å; L786-T815 HydrophobicContact CB-CG2 3.76Å; L786-T815 HydrophobicContact CD1-CG2 4.02Å; R787-T815 WeakPolarHBondContact O-CB 3.45Å; R787-T815 PolarHBondContact O-OG1 2.78Å; F789-T815 PolarHBondContact N-OG1 3.47Å; F789-T815 VanDerWaalsContact N-OG1 3.09Å; T790-T815 PolarHBondContact N-OG1 2.86Å; T790-T815 PolarHBondContact O-N 3.03Å; T790-T815 PolarHBondContact O-OG1 3.18Å; Y792-T815 HydrophobicContact CD2-CG2 4.28Å; Y792-T815 HydrophobicContact CE2-CG2 4.17Å |
| 816 | L | 90.4 | Very high | 86 | Confident | 80 Ų | 80 | 48.5 Ų | 48.5 | 42% | 0.419 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 156 | 177 | -62.3 | -178.3 | 0 | 0 | 0 | 110.8 | A733 S735 S736 F789 | A733-L816 HydrophobicContact CB-CD2 3.7Å; A733-L816 HydrophobicContact CB-CG 3.83Å; S735-L816 PolarHBondContact O-N 3.09Å; S736-L816 VanDerWaalsContact CA-O 3.25Å; S736-L816 WeakPolarHBondContact CA-O 3.27Å; F789-L816 PolarHBondContact N-O 2.82Å; F789-L816 VanDerWaalsContact N-O 3.14Å |
| 817 | P | 89.7 | Confident | 87.3 | Confident | 23 Ų | 23 | 46.8 Ų | 46.8 | 15% | 0.149 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 158.6 | 166.3 | 26.7 | -31.4 | 0 | 0 | 0 | 111.1 | F789 N848 K901 V902 | F789-P817 HydrophobicContact CD2-CB 3.95Å; P817-N848 CarbonylContact C-O 3.52Å; P817-N848 WeakPolarHBondContact CA-O 3.36Å; P817-K901 VanDerWaalsContact CG-CE 3.47Å; P817-V902 HydrophobicContact CB-CG2 4.19Å; P817-V902 HydrophobicContact CG-CG2 4.09Å |
| 818 | D | 92.3 | Very high | 88.1 | Confident | 43 Ų | 43 | 50.1 Ų | 50.1 | 23% | 0.23 | 27% | 0.269 | C | S | . | . | trans | -129.8 | -178.1 | 172 | -146.1 | -38.2 | 0 | 0 | 0 | 109.3 | S736 P788 N848 T900 | S736-D818 WeakPolarHBondContact CB-OD2 3.41Å; S736-D818 PolarHBondContact OG-OD2 2.84Å; P788-D818 HydrophobicContact CB-CB 4.17Å; P788-D818 HydrophobicContact CG-CB 4.41Å; D818-N848 HydrophobicContact CB-CB 3.97Å; D818-N848 PolarHBondContact N-O 2.86Å; D818-T900 WeakPolarHBondContact O-CB 3.49Å; D818-T900 WeakPolarHBondContact O-CG2 3.45Å; D818-T900 PolarHBondContact O-OG1 2.72Å | ||
| 819 | R | 91.1 | Very high | 88.8 | Confident | 153 Ų | 153 | 51.1 Ų | 51.1 | 58% | 0.577 | 27% | 0.274 | S | S | * | . | trans | -68.2 | 152.5 | 161.9 | 65.9 | -174.2 | 175.2 | -140.5 | -1.9 | 110.7 | S821 N848 S904 | R819-S821 PolarHBondContact O-N 2.77Å; R819-N848 WeakPolarHBondContact O-CB 3.49Å; R819-N848 PolarHBondContact O-ND2 2.86Å; R819-S904 WeakPolarHBondContact CD-O 3.39Å | ||
| 820 | P | 93.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | trans | -57.1 | 135 | 172.6 | -22.4 | 34.3 | 0 | 0 | 0 | 110.9 | P844 E846 I851 A898 T900 G905 P906 | P820-P844 HydrophobicContact CB-CB 4.36Å; P820-P844 HydrophobicContact CB-CG 4.18Å; P820-E846 WeakPolarHBondContact CA-O 3.42Å; P820-I851 HydrophobicContact CG-CD1 3.72Å; P820-A898 HydrophobicContact CG-CB 4Å; P820-T900 HydrophobicContact CG-CG2 4.05Å; P820-G905 WeakPolarHBondContact O-CA 3.45Å; P820-P906 VanDerWaalsContact O-CD 3.25Å; P820-P906 WeakPolarHBondContact O-CD 3.27Å | ||
| 821 | S | 91.6 | Very high | 90.9 | Very high | 58 Ų | 58 | 57 Ų | 57 | 41% | 0.406 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -88.2 | -31.4 | 177.4 | 35.3 | 0 | 0 | 0 | 0 | 112.2 | R819 E846 N848 P906 | R819-S821 PolarHBondContact O-N 2.77Å; S821-E846 WeakPolarHBondContact CB-OE2 3.49Å; S821-E846 PolarHBondContact N-O 2.62Å; S821-E846 VanDerWaalsContact N-O 3.16Å; S821-E846 WeakPolarHBondContact OG-CB 3.21Å; S821-E846 PolarHBondContact OG-OE2 2.83Å; S821-N848 WeakPolarHBondContact CB-ND2 3.18Å; S821-N848 PolarHBondContact N-ND2 2.96Å; S821-N848 PolarHBondContact OG-ND2 2.85Å; S821-P906 WeakPolarHBondContact O-CG 3.36Å |
| 822 | T | 92.1 | Very high | 91.5 | Very high | 33 Ų | 33 | 58.8 Ų | 58.8 | 20% | 0.202 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -97.7 | 154.9 | 172.5 | 58.3 | 0 | 0 | 0 | 0 | 111.1 | P844 L845 E846 | T822-P844 WeakPolarHBondContact O-CB 3.17Å; T822-P844 WeakPolarHBondContact OG1-CB 3.18Å; T822-L845 PolarHBondContact OG1-N 3.43Å; T822-E846 HydrophobicContact CG2-CB 4Å; T822-E846 HydrophobicContact CG2-CG 4.02Å; T822-E846 PolarHBondContact OG1-N 3.42Å |
| 823 | P | 94.2 | Very high | 91.6 | Very high | 39 Ų | 39 | 58.3 Ų | 58.3 | 25% | 0.253 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 169.4 | 169.8 | 32.5 | -35.4 | 0 | 0 | 0 | 111.4 | P844 P906 F907 | P823-P844 WeakPolarHBondContact O-CA 3.38Å; P823-P906 HydrophobicContact CB-CG 4.29Å; P823-F907 VanDerWaalsContact CB-C 3.48Å; P823-F907 WeakPolarHBondContact CB-O 3.18Å |
| 824 | P | 93.6 | Very high | 91.6 | Very high | 4 Ų | 4 | 57.1 Ų | 57.1 | 3% | 0.026 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 138.5 | 162.9 | -22.1 | 34 | 0 | 0 | 0 | 111.3 | W841 R842 Y854 V896 A898 | P824-W841 HydrophobicContact CB-CB 4.19Å; P824-W841 HydrophobicContact CB-CG 4.28Å; P824-R842 WeakPolarHBondContact CA-O 3.33Å; P824-R842 WeakPolarHBondContact CB-O 3.14Å; P824-Y854 HydrophobicContact CB-CE1 4.42Å; P824-Y854 HydrophobicContact CG-CD1 4.09Å; P824-Y854 HydrophobicContact CG-CE1 4.04Å; P824-V896 VanDerWaalsContact CD-O 3.31Å; P824-V896 WeakPolarHBondContact CD-O 3.49Å; P824-V896 HydrophobicContact CG-CB 4.44Å; P824-V896 HydrophobicContact CG-CG1 4.19Å; P824-A898 HydrophobicContact CG-CB 4.14Å |
| 825 | E | 92.1 | Very high | 91.8 | Very high | 87 Ų | 87 | 58.4 Ų | 58.4 | 41% | 0.407 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 164.7 | -178.3 | -62 | -166.5 | 109 | 0 | 0 | 111.8 | L827 R842 | E825-L827 PolarHBondContact O-N 3.06Å; E825-R842 HydrophobicContact CB-CB 4.21Å; E825-R842 PolarHBondContact N-O 3.38Å; E825-R842 VanDerWaalsContact N-O 3.09Å; E825-R842 PolarHBondContact O-N 2.83Å |
| 826 | E | 91.3 | Very high | 91.9 | Very high | 93 Ų | 93 | 58.4 Ų | 58.4 | 44% | 0.435 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 48.1 | 49.1 | 172.6 | -63.1 | -177.2 | -152.2 | 0 | 0 | 115.2 | Q828 R842 | E826-Q828 PolarHBondContact O-N 3.31Å; E826-Q828 VanDerWaalsContact O-N 3.13Å; E826-R842 HydrophobicContact CB-CG 4.3Å; E826-R842 IonicContact OE1-CZ 2.99Å; E826-R842 IonicContact OE1-NE 3.24Å; E826-R842 IonicContact OE1-NH1 2.93Å; E826-R842 PolarHBondContact OE1-NH1 3.41Å; E826-R842 IonicContact OE1-NH2 3.79Å; E826-R842 PolarHBondContact OE1-NH2 2.94Å; E826-R842 IonicContact OE2-CZ 2.96Å; E826-R842 IonicContact OE2-NE 3.46Å; E826-R842 PolarHBondContact OE2-NE 3.24Å; E826-R842 VanDerWaalsContact OE2-NE 3.1Å; E826-R842 IonicContact OE2-NH1 3.81Å; E826-R842 IonicContact OE2-NH2 2.83Å; E826-R842 PolarHBondContact OE2-NH2 3.33Å |
| 827 | L | 93.3 | Very high | 92 | Very high | 22 Ų | 22 | 54.6 Ų | 54.6 | 12% | 0.115 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 114.5 | 172.6 | 179.1 | 59.2 | 0 | 0 | 0 | 110.7 | E825 L829 V839 S840 V896 S908 V911 | E825-L827 PolarHBondContact O-N 3.06Å; L827-L829 HydrophobicContact CD1-CD2 4.41Å; L827-V839 HydrophobicContact CD1-CG1 3.64Å; L827-S840 WeakPolarHBondContact CA-O 3.36Å; L827-V896 HydrophobicContact CD1-CG2 3.61Å; L827-V896 HydrophobicContact CD2-CG2 4.2Å; L827-S908 VanDerWaalsContact CD2-OG 3.28Å; L827-S908 WeakPolarHBondContact CD2-OG 3.38Å; L827-V911 HydrophobicContact CB-CG2 4.19Å; L827-V911 HydrophobicContact CD2-CB 4.15Å; L827-V911 HydrophobicContact CD2-CG2 3.89Å; L827-V911 HydrophobicContact CG-CB 4.38Å; L827-V911 HydrophobicContact CG-CG2 4.03Å |
| 828 | Q | 91.4 | Very high | 92.2 | Very high | 116 Ų | 116 | 56 Ų | 56 | 54% | 0.542 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 141.8 | 177.6 | -64.1 | 178.1 | 21 | 0 | 0 | 110.5 | E826 S840 | E826-Q828 PolarHBondContact O-N 3.31Å; E826-Q828 VanDerWaalsContact O-N 3.13Å; Q828-S840 PolarHBondContact N-O 2.82Å; Q828-S840 PolarHBondContact O-N 2.91Å |
| 829 | L | 95.1 | Very high | 92.4 | Very high | 34 Ų | 34 | 53.9 Ų | 53.9 | 18% | 0.178 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 134.1 | 178.5 | -57.4 | 179.9 | 0 | 0 | 0 | 110.1 | L827 V837 L838 V839 F894 V911 V913 | L827-L829 HydrophobicContact CD1-CD2 4.41Å; L829-V837 HydrophobicContact CB-CG1 4.46Å; L829-V837 HydrophobicContact CD2-CG1 4.43Å; L829-L838 WeakPolarHBondContact CA-O 3.35Å; L829-V839 HydrophobicContact CD2-CB 4.17Å; L829-V839 HydrophobicContact CD2-CG1 3.83Å; L829-V839 HydrophobicContact CD2-CG2 3.88Å; L829-F894 HydrophobicContact CD1-CB 4.07Å; L829-F894 HydrophobicContact CD1-CD2 3.62Å; L829-F894 HydrophobicContact CD1-CE2 4.44Å; L829-F894 HydrophobicContact CD1-CG 4.15Å; L829-F894 HydrophobicContact CD2-CB 3.88Å; L829-F894 HydrophobicContact CD2-CD1 4.46Å; L829-F894 HydrophobicContact CD2-CD2 3.95Å; L829-F894 HydrophobicContact CD2-CG 3.86Å; L829-F894 HydrophobicContact CG-CD2 4.46Å; L829-V911 HydrophobicContact CD1-CB 3.95Å; L829-V911 HydrophobicContact CD1-CG1 3.74Å; L829-V911 WeakPolarHBondContact CD1-O 3.39Å; L829-V911 HydrophobicContact CG-CB 4.33Å; L829-V911 HydrophobicContact CG-CG1 3.99Å; L829-V913 HydrophobicContact CB-CB 3.95Å; L829-V913 HydrophobicContact CB-CG1 4.15Å; L829-V913 HydrophobicContact CB-CG2 4.42Å; L829-V913 HydrophobicContact CD1-CB 3.91Å; L829-V913 HydrophobicContact CD1-CG1 3.86Å |
| 830 | R | 93.9 | Very high | 92.2 | Very high | 175 Ų | 175 | 48.1 Ų | 48.1 | 66% | 0.66 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 111.4 | 175.2 | -177.4 | -179.3 | 178.9 | -168.2 | -0.1 | 109.9 | L832 L838 | R830-L832 HydrophobicContact CG-CD2 4.43Å; R830-L832 PolarHBondContact O-N 3.14Å; R830-L838 HydrophobicContact CB-CB 4.42Å; R830-L838 PolarHBondContact N-O 2.96Å; R830-L838 PolarHBondContact O-N 3.1Å |
| 831 | A | 91.7 | Very high | 92.3 | Very high | 31 Ų | 31 | 48.6 Ų | 48.6 | 26% | 0.256 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 131.1 | 171 | 0 | 0 | 0 | 0 | 0 | 110 | V837 V913 | A831-V837 HydrophobicContact CB-CG2 4.31Å; A831-V913 HydrophobicContact CB-CG2 4.08Å |
| 832 | L | 88.3 | Confident | 92.3 | Very high | 76 Ų | 76 | 52.3 Ų | 52.3 | 40% | 0.398 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -40.2 | -179.4 | -59.2 | -177.1 | 0 | 0 | 0 | 111.5 | R830 S836 L838 E882 | R830-L832 HydrophobicContact CG-CD2 4.43Å; R830-L832 PolarHBondContact O-N 3.14Å; L832-S836 PolarHBondContact N-O 2.97Å; L832-L838 HydrophobicContact CD1-CB 4.22Å; L832-L838 HydrophobicContact CD2-CB 4.07Å; L832-L838 HydrophobicContact CG-CB 4.16Å; L832-E882 HydrophobicContact CD1-CG 3.72Å |
| 833 | N | 89.8 | Confident | 92.1 | Very high | 71 Ų | 71 | 53.6 Ų | 53.6 | 38% | 0.38 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | -174.1 | 176.1 | 57.4 | 45.4 | 0 | 0 | 0 | 109.4 | S835 S836 | N833-S835 PolarHBondContact O-N 2.93Å; N833-S835 VanDerWaalsContact O-N 3.09Å; N833-S835 PolarHBondContact OD1-N 2.87Å; N833-S835 PolarHBondContact OD1-OG 2.78Å; N833-S836 PolarHBondContact ND2-OG 3.15Å; N833-S836 PolarHBondContact OD1-N 3.32Å; N833-S836 PolarHBondContact OD1-OG 2.97Å |
| 834 | S | 90.9 | Very high | 91.9 | Very high | 32 Ų | 32 | 52 Ų | 52 | 22% | 0.224 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -9.6 | -178.8 | 58.7 | 0 | 0 | 0 | 0 | 115.2 | S887 G888 P916 | S834-S887 CarbonylContact O-C 3.48Å; S834-G888 WeakPolarHBondContact O-CA 3.4Å; S834-G888 PolarHBondContact O-N 3.17Å; S834-P916 VanDerWaalsContact CA-O 3.31Å; S834-P916 WeakPolarHBondContact CA-O 3.43Å; S834-P916 WeakPolarHBondContact CB-O 3.45Å |
| 835 | S | 91.5 | Very high | 91.6 | Very high | 53 Ų | 53 | 57.9 Ų | 57.9 | 37% | 0.371 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.8 | 8.1 | -178.3 | 66.6 | 0 | 0 | 0 | 0 | 115.1 | N833 R884 G885 L886 | N833-S835 PolarHBondContact O-N 2.93Å; N833-S835 VanDerWaalsContact O-N 3.09Å; N833-S835 PolarHBondContact OD1-N 2.87Å; N833-S835 PolarHBondContact OD1-OG 2.78Å; S835-R884 CarbonylContact O-C 3.54Å; S835-G885 PolarHBondContact O-N 3.43Å; S835-L886 WeakPolarHBondContact CA-O 3.41Å; S835-L886 WeakPolarHBondContact CB-O 3.32Å; S835-L886 PolarHBondContact O-N 3.21Å |
| 836 | S | 91.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.014 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 147.2 | -179.1 | 60.2 | 0 | 0 | 0 | 0 | 115.3 | L832 N833 E882 V883 | L832-S836 PolarHBondContact N-O 2.97Å; N833-S836 PolarHBondContact ND2-OG 3.15Å; N833-S836 PolarHBondContact OD1-N 3.32Å; N833-S836 PolarHBondContact OD1-OG 2.97Å; S836-E882 WeakPolarHBondContact CB-OE1 3.41Å; S836-V883 VanDerWaalsContact CA-O 3.24Å; S836-V883 WeakPolarHBondContact CA-O 3.21Å |
| 837 | V | 93.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 131.2 | 177.6 | 166.5 | 0 | 0 | 0 | 0 | 108.9 | L829 A831 V839 V883 L886 F894 V913 T915 | L829-V837 HydrophobicContact CB-CG1 4.46Å; L829-V837 HydrophobicContact CD2-CG1 4.43Å; A831-V837 HydrophobicContact CB-CG2 4.31Å; V837-V839 HydrophobicContact CG1-CG2 4.09Å; V837-V883 PolarHBondContact N-O 3.17Å; V837-V883 PolarHBondContact O-N 2.94Å; V837-L886 HydrophobicContact CB-CD1 3.84Å; V837-L886 HydrophobicContact CG2-CD1 3.57Å; V837-F894 HydrophobicContact CB-CE2 4.49Å; V837-F894 HydrophobicContact CB-CZ 4.14Å; V837-F894 HydrophobicContact CG1-CE2 4.07Å; V837-F894 HydrophobicContact CG1-CZ 4Å; V837-V913 HydrophobicContact CB-CG1 4.46Å; V837-V913 HydrophobicContact CG1-CG1 3.86Å; V837-V913 HydrophobicContact CG2-CG1 3.71Å; V837-T915 HydrophobicContact CG2-CG2 4.06Å |
| 838 | L | 93.9 | Very high | 91 | Very high | 52 Ų | 52 | 55.7 Ų | 55.7 | 27% | 0.272 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 127.9 | 165 | -176.8 | 67.2 | 0 | 0 | 0 | 109.4 | L829 R830 L832 | L829-L838 WeakPolarHBondContact CA-O 3.35Å; R830-L838 HydrophobicContact CB-CB 4.42Å; R830-L838 PolarHBondContact N-O 2.96Å; R830-L838 PolarHBondContact O-N 3.1Å; L832-L838 HydrophobicContact CD1-CB 4.22Å; L832-L838 HydrophobicContact CD2-CB 4.07Å; L832-L838 HydrophobicContact CG-CB 4.16Å |
| 839 | V | 95.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 128.2 | 177 | -173.8 | 0 | 0 | 0 | 0 | 107.3 | L827 L829 V837 W841 I856 S880 V881 V883 F894 V896 | L827-V839 HydrophobicContact CD1-CG1 3.64Å; L829-V839 HydrophobicContact CD2-CB 4.17Å; L829-V839 HydrophobicContact CD2-CG1 3.83Å; L829-V839 HydrophobicContact CD2-CG2 3.88Å; V837-V839 HydrophobicContact CG1-CG2 4.09Å; V839-W841 HydrophobicContact CB-CZ3 4.27Å; V839-W841 HydrophobicContact CG1-CE3 4.04Å; V839-W841 HydrophobicContact CG1-CZ3 3.93Å; V839-W841 WeakPolarHBondContact O-CZ3 2.94Å; V839-I856 HydrophobicContact CG1-CG2 4.34Å; V839-S880 CarbonylContact O-C 3.57Å; V839-S880 WeakPolarHBondContact O-CA 3.29Å; V839-S880 WeakPolarHBondContact O-CB 3.3Å; V839-V881 HydrophobicContact CB-CG1 4.37Å; V839-V881 PolarHBondContact N-O 3.25Å; V839-V881 PolarHBondContact O-N 3.04Å; V839-V883 HydrophobicContact CG2-CG2 3.86Å; V839-F894 HydrophobicContact CG2-CD1 3.72Å; V839-F894 HydrophobicContact CG2-CE1 3.71Å; V839-F894 HydrophobicContact CG2-CG 4.44Å; V839-F894 HydrophobicContact CG2-CZ 4.38Å; V839-V896 HydrophobicContact CG1-CG2 4.02Å |
| 840 | S | 88.4 | Confident | 90.2 | Very high | 32 Ų | 32 | 54.7 Ų | 54.7 | 22% | 0.224 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 147.4 | 179.6 | 54.4 | 0 | 0 | 0 | 0 | 112.4 | L827 Q828 F879 | L827-S840 WeakPolarHBondContact CA-O 3.36Å; Q828-S840 PolarHBondContact N-O 2.82Å; Q828-S840 PolarHBondContact O-N 2.91Å; S840-F879 CarbonylContact C-O 3.58Å; S840-F879 WeakPolarHBondContact CA-O 3.46Å |
| 841 | W | 95.6 | Very high | 90 | Very high | 11 Ų | 11 | 47.5 Ų | 47.5 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 167.3 | -174.4 | 56.6 | 90.7 | 0 | 0 | 0 | 111.7 | P824 V839 Y854 I856 I878 F879 V881 V896 | P824-W841 HydrophobicContact CB-CB 4.19Å; P824-W841 HydrophobicContact CB-CG 4.28Å; V839-W841 HydrophobicContact CB-CZ3 4.27Å; V839-W841 HydrophobicContact CG1-CE3 4.04Å; V839-W841 HydrophobicContact CG1-CZ3 3.93Å; V839-W841 WeakPolarHBondContact O-CZ3 2.94Å; W841-Y854 AromaticContact CD1-CD1 3.86Å; W841-Y854 AromaticContact CD1-CE1 3.65Å; W841-Y854 AromaticContact CE2-CD1 3.96Å; W841-Y854 AromaticContact CE2-CG 3.75Å; W841-Y854 HydrophobicContact CZ2-CD1 4.44Å; W841-Y854 AromaticContact CZ2-CD2 3.96Å; W841-Y854 HydrophobicContact CZ2-CD2 3.96Å; W841-Y854 AromaticContact CZ2-CG 3.79Å; W841-Y854 HydrophobicContact CZ2-CG 3.79Å; W841-Y854 AromaticContact NE1-CD1 3.22Å; W841-Y854 AromaticContact NE1-CD2 3.49Å; W841-Y854 AromaticContact NE1-CE1 3.29Å; W841-Y854 VanDerWaalsContact NE1-CE1 3.29Å; W841-Y854 AromaticContact NE1-CE2 3.56Å; W841-Y854 AromaticContact NE1-CG 3.33Å; W841-Y854 VanDerWaalsContact NE1-CG 3.33Å; W841-Y854 AromaticContact NE1-CZ 3.48Å; W841-I856 HydrophobicContact CH2-CD1 3.84Å; W841-I856 HydrophobicContact CH2-CG1 4.03Å; W841-I856 HydrophobicContact CZ2-CD1 4.47Å; W841-I856 HydrophobicContact CZ3-CD1 4.37Å; W841-I856 HydrophobicContact CZ3-CG1 4.04Å; W841-I878 WeakPolarHBondContact CZ2-O 3.48Å; W841-F879 PolarHBondContact N-O 3.42Å; W841-V881 HydrophobicContact CH2-CB 4.38Å; W841-V881 HydrophobicContact CH2-CG1 3.95Å; W841-V881 HydrophobicContact CZ3-CG1 4.03Å; W841-V896 HydrophobicContact CD2-CG1 3.88Å; W841-V896 HydrophobicContact CD2-CG2 4.41Å; W841-V896 HydrophobicContact CE3-CG1 4.13Å; W841-V896 HydrophobicContact CE3-CG2 3.94Å; W841-V896 HydrophobicContact CG-CG1 4.25Å; W841-V896 HydrophobicContact CZ2-CG1 4.44Å; W841-V896 HydrophobicContact CZ3-CG2 4.37Å |
| 842 | R | 90.5 | Very high | 89.9 | Confident | 136 Ų | 136 | 49.1 Ų | 49.1 | 51% | 0.513 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 154.9 | 166.3 | -72.8 | -168.3 | -176.2 | 164.5 | 16.4 | 111.1 | P824 E825 E826 | P824-R842 WeakPolarHBondContact CA-O 3.33Å; P824-R842 WeakPolarHBondContact CB-O 3.14Å; E825-R842 HydrophobicContact CB-CB 4.21Å; E825-R842 PolarHBondContact N-O 3.38Å; E825-R842 VanDerWaalsContact N-O 3.09Å; E825-R842 PolarHBondContact O-N 2.83Å; E826-R842 HydrophobicContact CB-CG 4.3Å; E826-R842 IonicContact OE1-CZ 2.99Å; E826-R842 IonicContact OE1-NE 3.24Å; E826-R842 IonicContact OE1-NH1 2.93Å; E826-R842 PolarHBondContact OE1-NH1 3.41Å; E826-R842 IonicContact OE1-NH2 3.79Å; E826-R842 PolarHBondContact OE1-NH2 2.94Å; E826-R842 IonicContact OE2-CZ 2.96Å; E826-R842 IonicContact OE2-NE 3.46Å; E826-R842 PolarHBondContact OE2-NE 3.24Å; E826-R842 VanDerWaalsContact OE2-NE 3.1Å; E826-R842 IonicContact OE2-NH1 3.81Å; E826-R842 IonicContact OE2-NH2 2.83Å; E826-R842 PolarHBondContact OE2-NH2 3.33Å |
| 843 | P | 87.9 | Confident | 90.1 | Very high | 59 Ų | 59 | 47.1 Ų | 47.1 | 38% | 0.383 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 157.1 | 174.2 | 24.5 | -33.6 | 0 | 0 | 0 | 111.8 | Y854 F879 | P843-Y854 WeakPolarHBondContact CA-OH 3.39Å; P843-F879 HydrophobicContact CB-CE1 4.1Å; P843-F879 HydrophobicContact CG-CE1 4.12Å |
| 844 | P | 91.1 | Very high | 90.3 | Very high | 7 Ų | 7 | 43.9 Ų | 43.9 | 5% | 0.045 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -61.6 | 142.9 | 174.6 | -19.8 | 31.5 | 0 | 0 | 0 | 112.7 | P820 T822 P823 E846 P847 I851 A898 | P820-P844 HydrophobicContact CB-CB 4.36Å; P820-P844 HydrophobicContact CB-CG 4.18Å; T822-P844 WeakPolarHBondContact O-CB 3.17Å; T822-P844 WeakPolarHBondContact OG1-CB 3.18Å; P823-P844 WeakPolarHBondContact O-CA 3.38Å; P844-E846 VanDerWaalsContact C-N 3.32Å; P844-E846 PolarHBondContact O-N 2.66Å; P844-P847 WeakPolarHBondContact O-CD 3.43Å; P844-I851 HydrophobicContact CG-CD1 4.5Å; P844-A898 HydrophobicContact CG-CB 3.52Å |
| 845 | L | 87.3 | Confident | 90.5 | Very high | 127 Ų | 127 | 47.1 Ų | 47.1 | 67% | 0.665 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -61.5 | -37.6 | 174.4 | -165.8 | 76.3 | 0 | 0 | 0 | 112.8 | T822 P847 | T822-L845 PolarHBondContact OG1-N 3.43Å; L845-P847 VanDerWaalsContact C-CD 3.49Å; L845-P847 VanDerWaalsContact O-CD 3.3Å; L845-P847 WeakPolarHBondContact O-CD 3.29Å |
| 846 | E | 88.2 | Confident | 90.7 | Very high | 90 Ų | 90 | 44.6 Ų | 44.6 | 42% | 0.421 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -114.8 | 78.5 | 173.5 | -61 | -171.5 | 155.3 | 0 | 0 | 110.3 | P820 S821 T822 P844 N848 | P820-E846 WeakPolarHBondContact CA-O 3.42Å; S821-E846 WeakPolarHBondContact CB-OE2 3.49Å; S821-E846 PolarHBondContact N-O 2.62Å; S821-E846 VanDerWaalsContact N-O 3.16Å; S821-E846 WeakPolarHBondContact OG-CB 3.21Å; S821-E846 PolarHBondContact OG-OE2 2.83Å; T822-E846 HydrophobicContact CG2-CB 4Å; T822-E846 HydrophobicContact CG2-CG 4.02Å; T822-E846 PolarHBondContact OG1-N 3.42Å; P844-E846 VanDerWaalsContact C-N 3.32Å; P844-E846 PolarHBondContact O-N 2.66Å; E846-N848 VanDerWaalsContact C-N 3.26Å; E846-N848 PolarHBondContact O-N 2.84Å |
| 847 | P | 85.4 | Confident | 90.9 | Very high | 46 Ų | 46 | 45.1 Ų | 45.1 | 30% | 0.299 | 23% | 0.232 | S | C | . | . | trans | -73.6 | -20.3 | -176 | 31.1 | -35.5 | 0 | 0 | 0 | 112.5 | P844 L845 G849 I851 T900 | P844-P847 WeakPolarHBondContact O-CD 3.43Å; L845-P847 VanDerWaalsContact C-CD 3.49Å; L845-P847 VanDerWaalsContact O-CD 3.3Å; L845-P847 WeakPolarHBondContact O-CD 3.29Å; P847-G849 PolarHBondContact O-N 2.89Å; P847-I851 HydrophobicContact CB-CD1 3.74Å; P847-I851 HydrophobicContact CB-CG1 4.22Å; P847-T900 WeakPolarHBondContact O-CG2 3.38Å | ||
| 848 | N | 88.6 | Confident | 91 | Very high | 20 Ų | 20 | 46 Ų | 46 | 11% | 0.107 | 24% | 0.235 | C | C | . | . | trans | 52.5 | 18.7 | 177.8 | -61.4 | -25.9 | 0 | 0 | 0 | 115.4 | P788 F789 P817 D818 R819 S821 E846 | P788-N848 HydrophobicContact CB-CB 3.6Å; P788-N848 HydrophobicContact CG-CB 4.22Å; F789-N848 WeakPolarHBondContact CB-O 3.29Å; P817-N848 CarbonylContact C-O 3.52Å; P817-N848 WeakPolarHBondContact CA-O 3.36Å; D818-N848 HydrophobicContact CB-CB 3.97Å; D818-N848 PolarHBondContact N-O 2.86Å; R819-N848 WeakPolarHBondContact O-CB 3.49Å; R819-N848 PolarHBondContact O-ND2 2.86Å; S821-N848 WeakPolarHBondContact CB-ND2 3.18Å; S821-N848 PolarHBondContact N-ND2 2.96Å; S821-N848 PolarHBondContact OG-ND2 2.85Å; E846-N848 VanDerWaalsContact C-N 3.26Å; E846-N848 PolarHBondContact O-N 2.84Å | ||
| 849 | G | 87 | Confident | 91.1 | Very high | 6 Ų | 6 | 43.9 Ų | 43.9 | 6% | 0.062 | 23% | 0.225 | C | C | . | . | S | Bend | trans | 163.5 | 178.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111 | P847 I851 | P847-G849 PolarHBondContact O-N 2.89Å; G849-I851 PolarHBondContact O-N 3.43Å |
| 850 | I | 84.6 | Confident | 91 | Very high | 123 Ų | 123 | 47.6 Ų | 47.6 | 63% | 0.631 | 25% | 0.247 | S | C | * | . | trans | -72.4 | 121.5 | 168.2 | -59.6 | 170.4 | 0 | 0 | 0 | 107.6 | F789 V852 T900 | F789-I850 HydrophobicContact CE1-CG1 4.2Å; F789-I850 HydrophobicContact CZ-CD1 4.29Å; F789-I850 HydrophobicContact CZ-CG1 3.83Å; I850-V852 PolarHBondContact O-N 3.26Å; I850-T900 WeakPolarHBondContact O-CA 3.45Å; I850-T900 WeakPolarHBondContact O-CB 3.47Å; I850-T900 WeakPolarHBondContact O-CG2 3.42Å | ||
| 851 | I | 88.8 | Confident | 91.1 | Very high | 23 Ų | 23 | 49.4 Ų | 49.4 | 12% | 0.118 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 127 | 171.3 | -52.9 | -52 | 0 | 0 | 0 | 107.7 | P820 P844 P847 G849 Y854 A898 S899 T900 | P820-I851 HydrophobicContact CG-CD1 3.72Å; P844-I851 HydrophobicContact CG-CD1 4.5Å; P847-I851 HydrophobicContact CB-CD1 3.74Å; P847-I851 HydrophobicContact CB-CG1 4.22Å; G849-I851 PolarHBondContact O-N 3.43Å; I851-Y854 HydrophobicContact CG2-CD2 4.41Å; I851-Y854 HydrophobicContact CG2-CE1 4.28Å; I851-Y854 HydrophobicContact CG2-CE2 3.93Å; I851-A898 HydrophobicContact CD1-CB 4.13Å; I851-A898 HydrophobicContact CG2-CB 4.22Å; I851-S899 CarbonylContact C-O 3.59Å; I851-S899 WeakPolarHBondContact CA-O 3.5Å; I851-S899 WeakPolarHBondContact CG2-O 3.33Å; I851-T900 HydrophobicContact CD1-CG2 3.94Å |
| 852 | V | 89.3 | Confident | 90.8 | Very high | 65 Ų | 65 | 53.1 Ų | 53.1 | 39% | 0.394 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | -22 | 179.5 | -57.5 | 0 | 0 | 0 | 0 | 112.3 | I850 G876 S899 K901 | I850-V852 PolarHBondContact O-N 3.26Å; V852-G876 PolarHBondContact O-N 3.18Å; V852-S899 PolarHBondContact N-O 3.09Å; V852-K901 HydrophobicContact CG1-CB 4.27Å |
| 853 | S | 91.8 | Very high | 90.6 | Very high | 35 Ų | 35 | 51.9 Ų | 51.9 | 25% | 0.245 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 156.1 | 174.6 | 56.6 | 0 | 0 | 0 | 0 | 113.4 | E874 S899 | S853-E874 CarbonylContact C-O 3.57Å; S853-E874 WeakPolarHBondContact CA-O 3.3Å; S853-E874 WeakPolarHBondContact CB-O 3.42Å; S853-S899 PolarHBondContact N-O 3.37Å; S853-S899 PolarHBondContact O-N 2.84Å |
| 854 | Y | 95.1 | Very high | 90.6 | Very high | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 135.5 | 164.6 | -67.8 | -83 | 0 | 0 | 0 | 109.9 | P824 W841 P843 I851 S873 E874 G876 I878 F879 V896 G897 A898 | P824-Y854 HydrophobicContact CB-CE1 4.42Å; P824-Y854 HydrophobicContact CG-CD1 4.09Å; P824-Y854 HydrophobicContact CG-CE1 4.04Å; W841-Y854 AromaticContact CD1-CD1 3.86Å; W841-Y854 AromaticContact CD1-CE1 3.65Å; W841-Y854 AromaticContact CE2-CD1 3.96Å; W841-Y854 AromaticContact CE2-CG 3.75Å; W841-Y854 HydrophobicContact CZ2-CD1 4.44Å; W841-Y854 AromaticContact CZ2-CD2 3.96Å; W841-Y854 HydrophobicContact CZ2-CD2 3.96Å; W841-Y854 AromaticContact CZ2-CG 3.79Å; W841-Y854 HydrophobicContact CZ2-CG 3.79Å; W841-Y854 AromaticContact NE1-CD1 3.22Å; W841-Y854 AromaticContact NE1-CD2 3.49Å; W841-Y854 AromaticContact NE1-CE1 3.29Å; W841-Y854 VanDerWaalsContact NE1-CE1 3.29Å; W841-Y854 AromaticContact NE1-CE2 3.56Å; W841-Y854 AromaticContact NE1-CG 3.33Å; W841-Y854 VanDerWaalsContact NE1-CG 3.33Å; W841-Y854 AromaticContact NE1-CZ 3.48Å; P843-Y854 WeakPolarHBondContact CA-OH 3.39Å; I851-Y854 HydrophobicContact CG2-CD2 4.41Å; I851-Y854 HydrophobicContact CG2-CE1 4.28Å; I851-Y854 HydrophobicContact CG2-CE2 3.93Å; Y854-S873 CarbonylContact O-C 3.56Å; Y854-S873 WeakPolarHBondContact O-CA 3.21Å; Y854-E874 PolarHBondContact N-O 2.9Å; Y854-E874 PolarHBondContact O-N 3.11Å; Y854-G876 WeakPolarHBondContact CE2-O 3.35Å; Y854-I878 WeakPolarHBondContact CD2-O 3.3Å; Y854-I878 WeakPolarHBondContact CE2-O 3.44Å; Y854-F879 HydrophobicContact CE2-CD1 4.36Å; Y854-F879 HydrophobicContact CE2-CE1 4.26Å; Y854-V896 HydrophobicContact CD1-CG1 4.16Å; Y854-G897 CarbonylContact C-O 3.55Å; Y854-G897 WeakPolarHBondContact CA-O 3.08Å; Y854-A898 HydrophobicContact CD1-CB 3.87Å; Y854-A898 HydrophobicContact CE1-CB 3.64Å |
| 855 | R | 94.8 | Very high | 90.5 | Very high | 101 Ų | 101 | 55.7 Ų | 55.7 | 38% | 0.381 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 120.1 | 172.4 | -170.3 | -178 | -62.2 | 168.3 | 5 | 109.4 | L857 L872 V896 G897 F907 | R855-L857 HydrophobicContact CG-CD2 4.26Å; R855-L872 WeakPolarHBondContact CA-O 3.43Å; R855-V896 WeakPolarHBondContact O-CA 3.31Å; R855-G897 PolarHBondContact N-O 3.22Å; R855-G897 PolarHBondContact O-N 3.1Å; R855-F907 HydrophobicContact CB-CE1 4.41Å |
| 856 | I | 96 | Very high | 90.3 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 123.3 | 175.1 | -54.3 | 75.1 | 0 | 0 | 0 | 106.8 | V839 W841 N871 L872 E874 V881 F894 V896 | V839-I856 HydrophobicContact CG1-CG2 4.34Å; W841-I856 HydrophobicContact CH2-CD1 3.84Å; W841-I856 HydrophobicContact CH2-CG1 4.03Å; W841-I856 HydrophobicContact CZ2-CD1 4.47Å; W841-I856 HydrophobicContact CZ3-CD1 4.37Å; W841-I856 HydrophobicContact CZ3-CG1 4.04Å; I856-N871 CarbonylContact O-C 3.55Å; I856-N871 WeakPolarHBondContact O-CA 3.49Å; I856-L872 HydrophobicContact CB-CB 4.22Å; I856-L872 HydrophobicContact CD1-CD2 4.38Å; I856-L872 PolarHBondContact N-O 3.25Å; I856-L872 PolarHBondContact O-N 3.05Å; I856-E874 HydrophobicContact CD1-CB 4.45Å; I856-E874 HydrophobicContact CD1-CG 4.01Å; I856-V881 HydrophobicContact CD1-CG1 4.03Å; I856-V881 HydrophobicContact CG1-CG1 3.99Å; I856-F894 HydrophobicContact CG2-CD1 4.06Å; I856-V896 HydrophobicContact CG1-CG1 4.29Å; I856-V896 HydrophobicContact CG1-CG2 4.07Å; I856-V896 HydrophobicContact CG2-CG2 4.29Å |
| 857 | L | 95.7 | Very high | 90.2 | Very high | 12 Ų | 12 | 57.2 Ų | 57.2 | 6% | 0.063 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 136.1 | 172.5 | -66.5 | -175.2 | 0 | 0 | 0 | 109.8 | R855 W869 R870 N871 F894 K895 F907 | R855-L857 HydrophobicContact CG-CD2 4.26Å; L857-W869 HydrophobicContact CB-CB 4.34Å; L857-W869 HydrophobicContact CB-CE3 4.06Å; L857-R870 CarbonylContact C-O 3.53Å; L857-R870 WeakPolarHBondContact CA-O 3.42Å; L857-N871 HydrophobicContact CD2-CB 3.46Å; L857-N871 VanDerWaalsContact CD2-CB 3.46Å; L857-F894 CarbonylContact O-C 3.25Å; L857-F894 WeakPolarHBondContact O-CA 3.27Å; L857-K895 HydrophobicContact CB-CG 4.08Å; L857-K895 PolarHBondContact N-O 2.83Å; L857-K895 PolarHBondContact O-N 2.87Å; L857-F907 HydrophobicContact CB-CE1 4.4Å; L857-F907 HydrophobicContact CD1-CD1 4.4Å; L857-F907 HydrophobicContact CD1-CE1 3.65Å; L857-F907 HydrophobicContact CD1-CE2 4.04Å; L857-F907 HydrophobicContact CD1-CZ 3.43Å; L857-F907 VanDerWaalsContact CD1-CZ 3.43Å; L857-F907 HydrophobicContact CG-CE1 3.67Å; L857-F907 HydrophobicContact CG-CZ 3.88Å |
| 858 | Y | 95.7 | Very high | 90.4 | Very high | 18 Ų | 18 | 60.1 Ų | 60.1 | 7% | 0.071 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 147.3 | 178.6 | 70.4 | -76.9 | 0 | 0 | 0 | 114.9 | R870 V883 L886 Y892 F893 F894 | Y858-R870 HydrophobicContact CD1-CB 3.81Å; Y858-R870 VanDerWaalsContact CD1-O 3.31Å; Y858-R870 WeakPolarHBondContact CD1-O 3.45Å; Y858-R870 HydrophobicContact CD2-CB 4.2Å; Y858-R870 HydrophobicContact CE1-CB 3.43Å; Y858-R870 VanDerWaalsContact CE1-CB 3.43Å; Y858-R870 HydrophobicContact CE2-CB 3.87Å; Y858-R870 VanDerWaalsContact CE2-CD 3.5Å; Y858-R870 HydrophobicContact CE2-CG 4.3Å; Y858-R870 HydrophobicContact CG-CB 4.17Å; Y858-R870 VanDerWaalsContact CZ-CB 3.46Å; Y858-R870 PolarHBondContact N-O 2.68Å; Y858-R870 WeakPolarHBondContact O-CB 3.27Å; Y858-R870 PolarHBondContact O-N 2.99Å; Y858-R870 WeakPolarHBondContact OH-CD 3.44Å; Y858-V883 HydrophobicContact CD1-CG1 4.23Å; Y858-V883 HydrophobicContact CD2-CG1 4.33Å; Y858-V883 HydrophobicContact CE1-CG1 3.71Å; Y858-V883 HydrophobicContact CE2-CG1 3.82Å; Y858-V883 VanDerWaalsContact CZ-CG1 3.49Å; Y858-L886 HydrophobicContact CD2-CD2 4.16Å; Y858-L886 HydrophobicContact CE2-CD2 3.58Å; Y858-Y892 HydrophobicContact CD2-CD1 4.04Å; Y858-Y892 HydrophobicContact CD2-CE1 4.37Å; Y858-F893 CarbonylContact C-O 3.57Å; Y858-F893 WeakPolarHBondContact CA-O 3.5Å; Y858-F893 WeakPolarHBondContact CB-O 3.45Å; Y858-F894 VanDerWaalsContact CB-CD1 3.46Å; Y858-F894 HydrophobicContact CD1-CE1 4.34Å; Y858-F894 HydrophobicContact CD2-CE1 4.19Å; Y858-F894 HydrophobicContact CD2-CZ 4.34Å; Y858-F894 HydrophobicContact CG-CD1 4.2Å; Y858-F894 AromaticContact CG-CE1 3.79Å; Y858-F894 HydrophobicContact CG-CE1 3.79Å; Y858-F894 HydrophobicContact CG-CZ 4.36Å |
| 859 | T | 95.6 | Very high | 90.7 | Very high | 9 Ų | 9 | 60 Ų | 60 | 6% | 0.055 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 162.1 | 179.9 | -171.5 | 0 | 0 | 0 | 0 | 111.8 | N861 L862 W869 Y892 F893 | T859-N861 WeakPolarHBondContact CG2-O 3.46Å; T859-N861 PolarHBondContact OG1-N 2.86Å; T859-N861 PolarHBondContact OG1-O 2.63Å; T859-L862 HydrophobicContact CG2-CD2 4.28Å; T859-W869 HydrophobicContact CG2-CD2 3.57Å; T859-W869 HydrophobicContact CG2-CE3 3.79Å; T859-W869 HydrophobicContact CG2-CG 4.24Å; T859-W869 HydrophobicContact CG2-CH2 3.75Å; T859-W869 HydrophobicContact CG2-CZ2 3.51Å; T859-W869 HydrophobicContact CG2-CZ3 3.87Å; T859-Y892 WeakPolarHBondContact O-CA 3.49Å; T859-F893 HydrophobicContact CG2-CB 4.09Å; T859-F893 HydrophobicContact CG2-CD2 4.36Å; T859-F893 PolarHBondContact N-O 3.25Å; T859-F893 PolarHBondContact O-N 2.96Å |
| 860 | V | 94.3 | Very high | 91 | Very high | 77 Ų | 77 | 66 Ų | 66 | 47% | 0.467 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -96.1 | -10.2 | 165.3 | -62.3 | 0 | 0 | 0 | 0 | 112.6 | T890 Y892 | V860-T890 HydrophobicContact CB-CG2 4.24Å; V860-T890 HydrophobicContact CG1-CG2 3.62Å; V860-Y892 HydrophobicContact CG1-CD1 3.57Å; V860-Y892 HydrophobicContact CG1-CE1 3.17Å; V860-Y892 HydrophobicContact CG1-CE2 4.29Å; V860-Y892 HydrophobicContact CG1-CG 4.28Å |
| 861 | N | 90.6 | Very high | 91.5 | Very high | 71 Ų | 71 | 65.5 Ų | 65.5 | 38% | 0.38 | 34% | 0.339 | S | S | . | . | trans | -138.9 | 110 | -175.1 | -177 | -2.9 | 0 | 0 | 0 | 109.7 | T859 S863 K864 | T859-N861 WeakPolarHBondContact CG2-O 3.46Å; T859-N861 PolarHBondContact OG1-N 2.86Å; T859-N861 PolarHBondContact OG1-O 2.63Å; N861-S863 PolarHBondContact O-N 2.87Å; N861-S863 VanDerWaalsContact OD1-CB 3.27Å; N861-S863 WeakPolarHBondContact OD1-CB 3.32Å; N861-S863 PolarHBondContact OD1-N 2.82Å; N861-S863 PolarHBondContact OD1-OG 3.35Å; N861-K864 HydrophobicContact CB-CD 4.42Å; N861-K864 HydrophobicContact CB-CG 4.41Å; N861-K864 PolarHBondContact O-N 2.81Å | ||
| 862 | L | 88.8 | Confident | 91.7 | Very high | 88 Ų | 88 | 66.9 Ų | 66.9 | 46% | 0.461 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -19.5 | 178 | -70.1 | 177.6 | 0 | 0 | 0 | 113.7 | T859 K864 W869 F893 V910 | T859-L862 HydrophobicContact CG2-CD2 4.28Å; L862-K864 PolarHBondContact O-N 2.74Å; L862-W869 HydrophobicContact CD2-CH2 3.6Å; L862-W869 HydrophobicContact CD2-CZ2 3.73Å; L862-F893 HydrophobicContact CD1-CD1 3.74Å; L862-F893 HydrophobicContact CD1-CD2 4.47Å; L862-F893 HydrophobicContact CD1-CE1 3.61Å; L862-F893 HydrophobicContact CD1-CE2 4.36Å; L862-F893 HydrophobicContact CD1-CG 4.18Å; L862-F893 HydrophobicContact CD1-CZ 3.94Å; L862-F893 HydrophobicContact CD2-CB 3.65Å; L862-F893 HydrophobicContact CD2-CD1 3.8Å; L862-F893 HydrophobicContact CD2-CD2 3.99Å; L862-F893 HydrophobicContact CD2-CE1 4.47Å; L862-F893 HydrophobicContact CD2-CG 3.52Å; L862-F893 HydrophobicContact CG-CB 4.39Å; L862-F893 HydrophobicContact CG-CD1 3.83Å; L862-F893 HydrophobicContact CG-CD2 3.79Å; L862-F893 HydrophobicContact CG-CE1 4.01Å; L862-F893 HydrophobicContact CG-CE2 3.97Å; L862-F893 HydrophobicContact CG-CG 3.73Å; L862-F893 HydrophobicContact CG-CZ 4.07Å; L862-V910 HydrophobicContact CD2-CG1 4.16Å |
| 863 | S | 87 | Confident | 91.8 | Very high | 111 Ų | 111 | 67.3 Ų | 67.3 | 78% | 0.776 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -6.1 | 177.1 | -48.9 | 0 | 0 | 0 | 0 | 113.3 | N861 | N861-S863 PolarHBondContact O-N 2.87Å; N861-S863 VanDerWaalsContact OD1-CB 3.27Å; N861-S863 WeakPolarHBondContact OD1-CB 3.32Å; N861-S863 PolarHBondContact OD1-N 2.82Å; N861-S863 PolarHBondContact OD1-OG 3.35Å |
| 864 | K | 87.9 | Confident | 91.8 | Very high | 80 Ų | 80 | 68 Ų | 68 | 35% | 0.348 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -78 | 139.1 | 171.9 | -79.7 | 177.8 | 161.4 | -87.9 | 0 | 110.7 | N861 L862 E868 W869 | N861-K864 HydrophobicContact CB-CD 4.42Å; N861-K864 HydrophobicContact CB-CG 4.41Å; N861-K864 PolarHBondContact O-N 2.81Å; L862-K864 PolarHBondContact O-N 2.74Å; K864-E868 HydrophobicContact CB-CB 4.34Å; K864-E868 IonicContact NZ-OE2 2.94Å; K864-E868 PolarHBondContact NZ-OE2 2.66Å; K864-W869 PolarHBondContact O-NE1 2.96Å |
| 865 | P | 87.4 | Confident | 91.4 | Very high | 66 Ų | 66 | 72.9 Ų | 72.9 | 43% | 0.429 | 38% | 0.378 | S | S | . | . | trans | -65.1 | 153.1 | 174 | 34.2 | -38.1 | 0 | 0 | 0 | 110.2 | D867 E868 | P865-D867 VanDerWaalsContact CB-OD1 3.25Å; P865-D867 WeakPolarHBondContact CB-OD1 3.5Å; P865-D867 WeakPolarHBondContact CG-OD1 3.38Å; P865-D867 PolarHBondContact O-N 2.95Å; P865-E868 HydrophobicContact CG-CB 4.3Å; P865-E868 HydrophobicContact CG-CG 4Å; P865-E868 WeakPolarHBondContact O-CB 3.37Å; P865-E868 PolarHBondContact O-N 2.92Å | ||
| 866 | E | 83.8 | Confident | 90.4 | Very high | 107 Ų | 107 | 68.6 Ų | 68.6 | 50% | 0.5 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -66.9 | -22.4 | -165.2 | -55.4 | -161.9 | 152.9 | 0 | 0 | 114.7 | E868 W869 K895 | E866-E868 VanDerWaalsContact C-N 3.3Å; E866-W869 WeakPolarHBondContact O-CB 3.49Å; E866-W869 PolarHBondContact O-N 3.46Å; E866-K895 IonicContact OE1-NZ 3.8Å; E866-K895 PolarHBondContact OE1-NZ 3.04Å; E866-K895 IonicContact OE2-NZ 3.72Å; E866-K895 PolarHBondContact OE2-NZ 2.83Å |
| 867 | D | 86.6 | Confident | 89.4 | Confident | 141 Ų | 141 | 71 Ų | 71 | 75% | 0.754 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -71.9 | -21.4 | 172.9 | 59.3 | -36.7 | 0 | 0 | 0 | 113.1 | P865 | P865-D867 VanDerWaalsContact CB-OD1 3.25Å; P865-D867 WeakPolarHBondContact CB-OD1 3.5Å; P865-D867 WeakPolarHBondContact CG-OD1 3.38Å; P865-D867 PolarHBondContact O-N 2.95Å |
| 868 | E | 89.8 | Confident | 88.6 | Confident | 107 Ų | 107 | 73 Ų | 73 | 50% | 0.5 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -87.3 | -2.2 | 169.5 | -73.2 | -170.9 | -152 | 0 | 0 | 113.9 | K864 P865 E866 | K864-E868 HydrophobicContact CB-CB 4.34Å; K864-E868 IonicContact NZ-OE2 2.94Å; K864-E868 PolarHBondContact NZ-OE2 2.66Å; P865-E868 HydrophobicContact CG-CB 4.3Å; P865-E868 HydrophobicContact CG-CG 4Å; P865-E868 WeakPolarHBondContact O-CB 3.37Å; P865-E868 PolarHBondContact O-N 2.92Å; E866-E868 VanDerWaalsContact C-N 3.3Å |
| 869 | W | 95.1 | Very high | 88.1 | Confident | 19 Ų | 19 | 76.7 Ų | 76.7 | 7% | 0.072 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -74 | 144.1 | 175.6 | -70.3 | 34.9 | 0 | 0 | 0 | 109.7 | L857 T859 L862 K864 E866 N871 F893 K895 V910 | L857-W869 HydrophobicContact CB-CB 4.34Å; L857-W869 HydrophobicContact CB-CE3 4.06Å; T859-W869 HydrophobicContact CG2-CD2 3.57Å; T859-W869 HydrophobicContact CG2-CE3 3.79Å; T859-W869 HydrophobicContact CG2-CG 4.24Å; T859-W869 HydrophobicContact CG2-CH2 3.75Å; T859-W869 HydrophobicContact CG2-CZ2 3.51Å; T859-W869 HydrophobicContact CG2-CZ3 3.87Å; L862-W869 HydrophobicContact CD2-CH2 3.6Å; L862-W869 HydrophobicContact CD2-CZ2 3.73Å; K864-W869 PolarHBondContact O-NE1 2.96Å; E866-W869 WeakPolarHBondContact O-CB 3.49Å; E866-W869 PolarHBondContact O-N 3.46Å; W869-N871 PolarHBondContact O-N 3.03Å; W869-F893 HydrophobicContact CH2-CB 4.43Å; W869-K895 HydrophobicContact CZ3-CD 4.29Å; W869-K895 HydrophobicContact CZ3-CG 4.18Å; W869-V910 HydrophobicContact CH2-CG1 4.37Å; W869-V910 HydrophobicContact CH2-CG2 4.06Å |
| 870 | R | 93.3 | Very high | 87.8 | Confident | 132 Ų | 132 | 79.1 Ų | 79.1 | 50% | 0.498 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 134.4 | 174.8 | -66.1 | -175.5 | 177.8 | -171.5 | 2 | 108.7 | L857 Y858 | L857-R870 CarbonylContact C-O 3.53Å; L857-R870 WeakPolarHBondContact CA-O 3.42Å; Y858-R870 HydrophobicContact CD1-CB 3.81Å; Y858-R870 VanDerWaalsContact CD1-O 3.31Å; Y858-R870 WeakPolarHBondContact CD1-O 3.45Å; Y858-R870 HydrophobicContact CD2-CB 4.2Å; Y858-R870 HydrophobicContact CE1-CB 3.43Å; Y858-R870 VanDerWaalsContact CE1-CB 3.43Å; Y858-R870 HydrophobicContact CE2-CB 3.87Å; Y858-R870 VanDerWaalsContact CE2-CD 3.5Å; Y858-R870 HydrophobicContact CE2-CG 4.3Å; Y858-R870 HydrophobicContact CG-CB 4.17Å; Y858-R870 VanDerWaalsContact CZ-CB 3.46Å; Y858-R870 PolarHBondContact N-O 2.68Å; Y858-R870 WeakPolarHBondContact O-CB 3.27Å; Y858-R870 PolarHBondContact O-N 2.99Å; Y858-R870 WeakPolarHBondContact OH-CD 3.44Å |
| 871 | N | 93.3 | Very high | 87.7 | Confident | 111 Ų | 111 | 76.3 Ų | 76.3 | 59% | 0.594 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 149.8 | -178.9 | 64.4 | 9.4 | 0 | 0 | 0 | 111.9 | I856 L857 W869 | I856-N871 CarbonylContact O-C 3.55Å; I856-N871 WeakPolarHBondContact O-CA 3.49Å; L857-N871 HydrophobicContact CD2-CB 3.46Å; L857-N871 VanDerWaalsContact CD2-CB 3.46Å; W869-N871 PolarHBondContact O-N 3.03Å |
| 872 | L | 93.3 | Very high | 87.9 | Confident | 52 Ų | 52 | 76 Ų | 76 | 27% | 0.272 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 147.6 | 168.5 | -159.5 | 95.2 | 0 | 0 | 0 | 106.9 | R855 I856 E874 V881 | R855-L872 WeakPolarHBondContact CA-O 3.43Å; I856-L872 HydrophobicContact CB-CB 4.22Å; I856-L872 HydrophobicContact CD1-CD2 4.38Å; I856-L872 PolarHBondContact N-O 3.25Å; I856-L872 PolarHBondContact O-N 3.05Å; L872-E874 HydrophobicContact CD2-CG 4.15Å; L872-E874 VanDerWaalsContact CD2-OE1 3.28Å; L872-E874 WeakPolarHBondContact CD2-OE1 3.44Å; L872-V881 HydrophobicContact CD2-CB 4.29Å; L872-V881 HydrophobicContact CD2-CG1 3.79Å; L872-V881 HydrophobicContact CD2-CG2 3.56Å |
| 873 | S | 91.8 | Very high | 88.2 | Confident | 74 Ų | 74 | 71.9 Ų | 71.9 | 52% | 0.517 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 124.7 | 178.1 | -61.6 | 0 | 0 | 0 | 0 | 109.8 | Y854 | Y854-S873 CarbonylContact O-C 3.56Å; Y854-S873 WeakPolarHBondContact O-CA 3.21Å |
| 874 | E | 92 | Very high | 88.4 | Confident | 50 Ų | 50 | 74.9 Ų | 74.9 | 23% | 0.234 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 159.7 | -179.6 | -65.6 | -56 | 142.8 | 0 | 0 | 110.4 | S853 Y854 I856 L872 I878 V881 | S853-E874 CarbonylContact C-O 3.57Å; S853-E874 WeakPolarHBondContact CA-O 3.3Å; S853-E874 WeakPolarHBondContact CB-O 3.42Å; Y854-E874 PolarHBondContact N-O 2.9Å; Y854-E874 PolarHBondContact O-N 3.11Å; I856-E874 HydrophobicContact CD1-CB 4.45Å; I856-E874 HydrophobicContact CD1-CG 4.01Å; L872-E874 HydrophobicContact CD2-CG 4.15Å; L872-E874 VanDerWaalsContact CD2-OE1 3.28Å; L872-E874 WeakPolarHBondContact CD2-OE1 3.44Å; E874-I878 HydrophobicContact CB-CB 4.12Å; E874-I878 HydrophobicContact CB-CD1 4.18Å; E874-I878 HydrophobicContact CB-CG2 4.07Å; E874-I878 HydrophobicContact CG-CG2 4.35Å; E874-I878 WeakPolarHBondContact OE2-CD1 3.09Å; E874-V881 HydrophobicContact CG-CB 4.01Å; E874-V881 HydrophobicContact CG-CG1 4.3Å; E874-V881 HydrophobicContact CG-CG2 3.94Å |
| 875 | D | 87.2 | Confident | 88.5 | Confident | 105 Ų | 105 | 73.7 Ų | 73.7 | 56% | 0.561 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 154.2 | 177.4 | -172.5 | 86.6 | 0 | 0 | 0 | 112.3 | G877 I878 | D875-G877 PolarHBondContact O-N 3.43Å; D875-G877 PolarHBondContact OD2-N 3.46Å; D875-I878 HydrophobicContact CB-CD1 4.1Å; D875-I878 HydrophobicContact CB-CG1 4.29Å; D875-I878 WeakPolarHBondContact O-CB 3.44Å; D875-I878 PolarHBondContact O-N 3.43Å |
| 876 | G | 72.8 | Confident | 88.8 | Confident | 10 Ų | 10 | 71 Ų | 71 | 10% | 0.103 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -17.5 | 180 | 0 | 0 | 0 | 0 | 0 | 115.2 | V852 Y854 I878 | V852-G876 PolarHBondContact O-N 3.18Å; Y854-G876 WeakPolarHBondContact CE2-O 3.35Å; G876-I878 VanDerWaalsContact C-N 3.34Å |
| 877 | G | 75.4 | Confident | 89.2 | Confident | 51 Ų | 51 | 69.1 Ų | 69.1 | 53% | 0.526 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -4.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | D875 F879 | D875-G877 PolarHBondContact O-N 3.43Å; D875-G877 PolarHBondContact OD2-N 3.46Å; G877-F879 WeakPolarHBondContact O-CE2 3.45Å |
| 878 | I | 78.6 | Confident | 89.3 | Confident | 55 Ų | 55 | 63.5 Ų | 63.5 | 28% | 0.282 | 35% | 0.352 | S | S | . | . | trans | -98.7 | 129.8 | -175.4 | -62.9 | 177.1 | 0 | 0 | 0 | 110.7 | W841 Y854 E874 D875 G876 S880 | W841-I878 WeakPolarHBondContact CZ2-O 3.48Å; Y854-I878 WeakPolarHBondContact CD2-O 3.3Å; Y854-I878 WeakPolarHBondContact CE2-O 3.44Å; E874-I878 HydrophobicContact CB-CB 4.12Å; E874-I878 HydrophobicContact CB-CD1 4.18Å; E874-I878 HydrophobicContact CB-CG2 4.07Å; E874-I878 HydrophobicContact CG-CG2 4.35Å; E874-I878 WeakPolarHBondContact OE2-CD1 3.09Å; D875-I878 HydrophobicContact CB-CD1 4.1Å; D875-I878 HydrophobicContact CB-CG1 4.29Å; D875-I878 WeakPolarHBondContact O-CB 3.44Å; D875-I878 PolarHBondContact O-N 3.43Å; G876-I878 VanDerWaalsContact C-N 3.34Å; I878-S880 WeakPolarHBondContact CG2-O 3.46Å | ||
| 879 | F | 86.6 | Confident | 89.2 | Confident | 94 Ų | 94 | 59.3 Ų | 59.3 | 41% | 0.412 | 34% | 0.338 | S | S | . | . | trans | -115.9 | -0 | -178.9 | -56.7 | -70.7 | 0 | 0 | 0 | 113.5 | S840 W841 P843 Y854 G877 | S840-F879 CarbonylContact C-O 3.58Å; S840-F879 WeakPolarHBondContact CA-O 3.46Å; W841-F879 PolarHBondContact N-O 3.42Å; P843-F879 HydrophobicContact CB-CE1 4.1Å; P843-F879 HydrophobicContact CG-CE1 4.12Å; Y854-F879 HydrophobicContact CE2-CD1 4.36Å; Y854-F879 HydrophobicContact CE2-CE1 4.26Å; G877-F879 WeakPolarHBondContact O-CE2 3.45Å | ||
| 880 | S | 88.6 | Confident | 89.1 | Confident | 60 Ų | 60 | 60.4 Ų | 60.4 | 42% | 0.42 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 147.9 | 174.2 | 63.3 | 0 | 0 | 0 | 0 | 112.5 | V839 I878 | V839-S880 CarbonylContact O-C 3.57Å; V839-S880 WeakPolarHBondContact O-CA 3.29Å; V839-S880 WeakPolarHBondContact O-CB 3.3Å; I878-S880 WeakPolarHBondContact CG2-O 3.46Å |
| 881 | V | 92.6 | Very high | 89.2 | Confident | 19 Ų | 19 | 60.3 Ų | 60.3 | 12% | 0.115 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 144.7 | 178.3 | 69.9 | 0 | 0 | 0 | 0 | 112.1 | V839 W841 I856 L872 E874 V883 | V839-V881 HydrophobicContact CB-CG1 4.37Å; V839-V881 PolarHBondContact N-O 3.25Å; V839-V881 PolarHBondContact O-N 3.04Å; W841-V881 HydrophobicContact CH2-CB 4.38Å; W841-V881 HydrophobicContact CH2-CG1 3.95Å; W841-V881 HydrophobicContact CZ3-CG1 4.03Å; I856-V881 HydrophobicContact CD1-CG1 4.03Å; I856-V881 HydrophobicContact CG1-CG1 3.99Å; L872-V881 HydrophobicContact CD2-CB 4.29Å; L872-V881 HydrophobicContact CD2-CG1 3.79Å; L872-V881 HydrophobicContact CD2-CG2 3.56Å; E874-V881 HydrophobicContact CG-CB 4.01Å; E874-V881 HydrophobicContact CG-CG1 4.3Å; E874-V881 HydrophobicContact CG-CG2 3.94Å; V881-V883 HydrophobicContact CG1-CG2 4.33Å |
| 882 | E | 94.6 | Very high | 89.3 | Confident | 64 Ų | 64 | 55.3 Ų | 55.3 | 30% | 0.299 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 110.4 | 174.5 | -169.4 | -166.2 | 149 | 0 | 0 | 110.6 | L832 S836 R884 | L832-E882 HydrophobicContact CD1-CG 3.72Å; S836-E882 WeakPolarHBondContact CB-OE1 3.41Å; E882-R884 HydrophobicContact CG-CG 4.13Å; E882-R884 PolarHBondContact O-N 2.79Å; E882-R884 WeakPolarHBondContact OE1-CG 3.38Å; E882-R884 IonicContact OE1-CZ 3.67Å; E882-R884 IonicContact OE1-NE 3.62Å; E882-R884 PolarHBondContact OE1-NE 2.95Å; E882-R884 IonicContact OE1-NH2 3.44Å; E882-R884 PolarHBondContact OE1-NH2 3.32Å; E882-R884 IonicContact OE2-CZ 3.18Å; E882-R884 IonicContact OE2-NE 2.78Å; E882-R884 PolarHBondContact OE2-NE 2.97Å; E882-R884 IonicContact OE2-NH2 3.72Å; E882-R884 PolarHBondContact OE2-NH2 3.49Å |
| 883 | V | 94.3 | Very high | 89.4 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.012 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 112.2 | 175.8 | -177.2 | 0 | 0 | 0 | 0 | 109 | S836 V837 V839 Y858 V881 L886 F894 | S836-V883 VanDerWaalsContact CA-O 3.24Å; S836-V883 WeakPolarHBondContact CA-O 3.21Å; V837-V883 PolarHBondContact N-O 3.17Å; V837-V883 PolarHBondContact O-N 2.94Å; V839-V883 HydrophobicContact CG2-CG2 3.86Å; Y858-V883 HydrophobicContact CD1-CG1 4.23Å; Y858-V883 HydrophobicContact CD2-CG1 4.33Å; Y858-V883 HydrophobicContact CE1-CG1 3.71Å; Y858-V883 HydrophobicContact CE2-CG1 3.82Å; Y858-V883 VanDerWaalsContact CZ-CG1 3.49Å; V881-V883 HydrophobicContact CG1-CG2 4.33Å; V883-L886 HydrophobicContact CG1-CD2 4.06Å; V883-F894 HydrophobicContact CB-CE1 4.17Å; V883-F894 HydrophobicContact CG1-CE1 4.27Å; V883-F894 HydrophobicContact CG2-CE1 4.01Å |
| 884 | R | 91.8 | Very high | 89.6 | Confident | 173 Ų | 173 | 50.9 Ų | 50.9 | 65% | 0.653 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 166.8 | -177 | -64.3 | -177.2 | 173.1 | 178 | 5.5 | 112.4 | S835 E882 | S835-R884 CarbonylContact O-C 3.54Å; E882-R884 HydrophobicContact CG-CG 4.13Å; E882-R884 PolarHBondContact O-N 2.79Å; E882-R884 WeakPolarHBondContact OE1-CG 3.38Å; E882-R884 IonicContact OE1-CZ 3.67Å; E882-R884 IonicContact OE1-NE 3.62Å; E882-R884 PolarHBondContact OE1-NE 2.95Å; E882-R884 IonicContact OE1-NH2 3.44Å; E882-R884 PolarHBondContact OE1-NH2 3.32Å; E882-R884 IonicContact OE2-CZ 3.18Å; E882-R884 IonicContact OE2-NE 2.78Å; E882-R884 PolarHBondContact OE2-NE 2.97Å; E882-R884 IonicContact OE2-NH2 3.72Å; E882-R884 PolarHBondContact OE2-NH2 3.49Å |
| 885 | G | 89.7 | Confident | 89.8 | Confident | 56 Ų | 56 | 49 Ų | 49 | 58% | 0.577 | 28% | 0.279 | S | S | * | . | S | Bend | trans | 78.1 | 30.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S835 | S835-G885 PolarHBondContact O-N 3.43Š|
| 886 | L | 93.3 | Very high | 90.2 | Very high | 10 Ų | 10 | 44 Ų | 44 | 5% | 0.052 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -86.4 | 160.1 | 174.6 | -52.9 | -177.7 | 0 | 0 | 0 | 110.9 | S835 V837 Y858 V883 Y892 F894 T915 | S835-L886 WeakPolarHBondContact CA-O 3.41Å; S835-L886 WeakPolarHBondContact CB-O 3.32Å; S835-L886 PolarHBondContact O-N 3.21Å; V837-L886 HydrophobicContact CB-CD1 3.84Å; V837-L886 HydrophobicContact CG2-CD1 3.57Å; Y858-L886 HydrophobicContact CD2-CD2 4.16Å; Y858-L886 HydrophobicContact CE2-CD2 3.58Å; V883-L886 HydrophobicContact CG1-CD2 4.06Å; L886-Y892 HydrophobicContact CB-CD2 4.5Å; L886-Y892 HydrophobicContact CB-CE2 3.74Å; L886-Y892 HydrophobicContact CD1-CD2 4.36Å; L886-Y892 HydrophobicContact CD1-CE2 4.4Å; L886-Y892 HydrophobicContact CD2-CD1 4.14Å; L886-Y892 HydrophobicContact CD2-CE1 3.71Å; L886-Y892 HydrophobicContact CD2-CE2 4.22Å; L886-Y892 HydrophobicContact CG-CE2 4.34Å; L886-F894 HydrophobicContact CD1-CZ 4.44Å; L886-T915 HydrophobicContact CB-CG2 4.13Å; L886-T915 HydrophobicContact CD1-CG2 4.1Å |
| 887 | S | 92.2 | Very high | 91.2 | Very high | 67 Ų | 67 | 43.6 Ų | 43.6 | 47% | 0.469 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -93 | 134.1 | 176.5 | -60.2 | 0 | 0 | 0 | 0 | 110.2 | S834 T890 Y892 T915 | S834-S887 CarbonylContact O-C 3.48Å; S887-T890 WeakPolarHBondContact CB-OG1 3.31Å; S887-T890 VanDerWaalsContact O-CB 3.23Å; S887-T890 WeakPolarHBondContact O-CB 3.14Å; S887-T890 PolarHBondContact O-N 2.8Å; S887-T890 PolarHBondContact O-OG1 2.83Å; S887-Y892 PolarHBondContact N-OH 2.92Å; S887-T915 PolarHBondContact O-OG1 3.32Å |
| 888 | G | 89.4 | Confident | 92.1 | Very high | 22 Ų | 22 | 41.2 Ų | 41.2 | 23% | 0.227 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 150.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S834 T890 P916 | S834-G888 WeakPolarHBondContact O-CA 3.4Å; S834-G888 PolarHBondContact O-N 3.17Å; G888-T890 PolarHBondContact O-N 2.84Å; G888-T890 VanDerWaalsContact O-N 3.11Å; G888-T890 PolarHBondContact O-OG1 3.29Å; G888-P916 CarbonylContact C-O 3.56Å; G888-P916 VanDerWaalsContact CA-O 3.29Å; G888-P916 WeakPolarHBondContact CA-O 3.34Å |
| 889 | G | 88.5 | Confident | 92.7 | Very high | 19 Ų | 19 | 38.9 Ų | 38.9 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 0.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115 | Q914 T915 P916 | G889-Q914 PolarHBondContact O-NE2 2.9Å; G889-T915 WeakPolarHBondContact CA-O 3.28Å; G889-T915 PolarHBondContact N-O 2.98Å; G889-T915 VanDerWaalsContact N-O 3.11Å; G889-T915 PolarHBondContact N-OG1 2.9Å; G889-P916 PolarHBondContact N-O 2.9Å |
| 890 | T | 92.3 | Very high | 93 | Very high | 43 Ų | 43 | 34.7 Ų | 34.7 | 26% | 0.264 | 20% | 0.195 | S | C | . | . | trans | -93.9 | 139.2 | -169.6 | -55.4 | 0 | 0 | 0 | 0 | 110.8 | V860 S887 G888 Y892 T915 | V860-T890 HydrophobicContact CB-CG2 4.24Å; V860-T890 HydrophobicContact CG1-CG2 3.62Å; S887-T890 WeakPolarHBondContact CB-OG1 3.31Å; S887-T890 VanDerWaalsContact O-CB 3.23Å; S887-T890 WeakPolarHBondContact O-CB 3.14Å; S887-T890 PolarHBondContact O-N 2.8Å; S887-T890 PolarHBondContact O-OG1 2.83Å; G888-T890 PolarHBondContact O-N 2.84Å; G888-T890 VanDerWaalsContact O-N 3.11Å; G888-T890 PolarHBondContact O-OG1 3.29Å; T890-Y892 HydrophobicContact CG2-CD2 4.32Å; T890-Y892 HydrophobicContact CG2-CE2 3.82Å; T890-Y892 WeakPolarHBondContact O-CD2 3.36Å; T890-T915 PolarHBondContact N-OG1 3.04Å; T890-T915 PolarHBondContact O-N 2.89Å; T890-T915 PolarHBondContact O-OG1 2.67Å | ||
| 891 | R | 94.3 | Very high | 92.8 | Very high | 130 Ų | 130 | 39.8 Ų | 39.8 | 49% | 0.491 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 125.3 | 175.1 | -162.7 | 174 | -167.9 | 177.2 | 0.4 | 109.8 | F893 D912 | R891-F893 HydrophobicContact CG-CZ 4.33Å; R891-D912 IonicContact CZ-OD1 2.66Å; R891-D912 IonicContact CZ-OD2 2.77Å; R891-D912 IonicContact NE-OD1 3.87Å; R891-D912 IonicContact NE-OD2 3.91Å; R891-D912 PolarHBondContact NE-OD2 3.2Å; R891-D912 IonicContact NH2-OD1 3.97Å; R891-D912 PolarHBondContact NH2-OD1 2.89Å; R891-D912 IonicContact NH2-OD2 2.86Å; R891-D912 PolarHBondContact NH2-OD2 2.7Å |
| 892 | Y | 95.4 | Very high | 92.8 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 2% | 0.02 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 142.6 | 178.9 | -75.4 | -87.7 | 0 | 0 | 0 | 110.4 | Y858 T859 V860 L886 S887 T890 F894 D912 V913 T915 | Y858-Y892 HydrophobicContact CD2-CD1 4.04Å; Y858-Y892 HydrophobicContact CD2-CE1 4.37Å; T859-Y892 WeakPolarHBondContact O-CA 3.49Å; V860-Y892 HydrophobicContact CG1-CD1 3.57Å; V860-Y892 HydrophobicContact CG1-CE1 3.17Å; V860-Y892 HydrophobicContact CG1-CE2 4.29Å; V860-Y892 HydrophobicContact CG1-CG 4.28Å; L886-Y892 HydrophobicContact CB-CD2 4.5Å; L886-Y892 HydrophobicContact CB-CE2 3.74Å; L886-Y892 HydrophobicContact CD1-CD2 4.36Å; L886-Y892 HydrophobicContact CD1-CE2 4.4Å; L886-Y892 HydrophobicContact CD2-CD1 4.14Å; L886-Y892 HydrophobicContact CD2-CE1 3.71Å; L886-Y892 HydrophobicContact CD2-CE2 4.22Å; L886-Y892 HydrophobicContact CG-CE2 4.34Å; S887-Y892 PolarHBondContact N-OH 2.92Å; T890-Y892 HydrophobicContact CG2-CD2 4.32Å; T890-Y892 HydrophobicContact CG2-CE2 3.82Å; T890-Y892 WeakPolarHBondContact O-CD2 3.36Å; Y892-F894 VanDerWaalsContact CB-CE2 3.47Å; Y892-F894 HydrophobicContact CG-CE2 4.43Å; Y892-D912 CarbonylContact O-C 3.5Å; Y892-D912 VanDerWaalsContact O-CA 3.23Å; Y892-D912 WeakPolarHBondContact O-CA 3.36Å; Y892-D912 WeakPolarHBondContact O-CB 3.35Å; Y892-V913 PolarHBondContact N-O 2.82Å; Y892-V913 PolarHBondContact O-N 2.9Å; Y892-T915 HydrophobicContact CD2-CG2 4.11Å; Y892-T915 HydrophobicContact CE2-CG2 4.17Å |
| 893 | F | 95.9 | Very high | 92.5 | Very high | 33 Ų | 33 | 41 Ų | 41 | 15% | 0.145 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 131.3 | 177.4 | -58.2 | -85.8 | 0 | 0 | 0 | 108.5 | Y858 T859 L862 W869 R891 V910 D912 | Y858-F893 CarbonylContact C-O 3.57Å; Y858-F893 WeakPolarHBondContact CA-O 3.5Å; Y858-F893 WeakPolarHBondContact CB-O 3.45Å; T859-F893 HydrophobicContact CG2-CB 4.09Å; T859-F893 HydrophobicContact CG2-CD2 4.36Å; T859-F893 PolarHBondContact N-O 3.25Å; T859-F893 PolarHBondContact O-N 2.96Å; L862-F893 HydrophobicContact CD1-CD1 3.74Å; L862-F893 HydrophobicContact CD1-CD2 4.47Å; L862-F893 HydrophobicContact CD1-CE1 3.61Å; L862-F893 HydrophobicContact CD1-CE2 4.36Å; L862-F893 HydrophobicContact CD1-CG 4.18Å; L862-F893 HydrophobicContact CD1-CZ 3.94Å; L862-F893 HydrophobicContact CD2-CB 3.65Å; L862-F893 HydrophobicContact CD2-CD1 3.8Å; L862-F893 HydrophobicContact CD2-CD2 3.99Å; L862-F893 HydrophobicContact CD2-CE1 4.47Å; L862-F893 HydrophobicContact CD2-CG 3.52Å; L862-F893 HydrophobicContact CG-CB 4.39Å; L862-F893 HydrophobicContact CG-CD1 3.83Å; L862-F893 HydrophobicContact CG-CD2 3.79Å; L862-F893 HydrophobicContact CG-CE1 4.01Å; L862-F893 HydrophobicContact CG-CE2 3.97Å; L862-F893 HydrophobicContact CG-CG 3.73Å; L862-F893 HydrophobicContact CG-CZ 4.07Å; W869-F893 HydrophobicContact CH2-CB 4.43Å; R891-F893 HydrophobicContact CG-CZ 4.33Å; F893-V910 HydrophobicContact CB-CG1 3.77Å; F893-V910 HydrophobicContact CD1-CG1 4.18Å; F893-V910 HydrophobicContact CG-CG1 4.45Å; F893-D912 HydrophobicContact CD1-CB 3.5Å; F893-D912 HydrophobicContact CE1-CB 3.71Å; F893-D912 HydrophobicContact CG-CB 4.34Å |
| 894 | F | 96.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 147.5 | -176 | -69.4 | -97.9 | 0 | 0 | 0 | 111.2 | L829 V837 V839 I856 L857 Y858 V883 L886 Y892 V910 V911 V913 | L829-F894 HydrophobicContact CD1-CB 4.07Å; L829-F894 HydrophobicContact CD1-CD2 3.62Å; L829-F894 HydrophobicContact CD1-CE2 4.44Å; L829-F894 HydrophobicContact CD1-CG 4.15Å; L829-F894 HydrophobicContact CD2-CB 3.88Å; L829-F894 HydrophobicContact CD2-CD1 4.46Å; L829-F894 HydrophobicContact CD2-CD2 3.95Å; L829-F894 HydrophobicContact CD2-CG 3.86Å; L829-F894 HydrophobicContact CG-CD2 4.46Å; V837-F894 HydrophobicContact CB-CE2 4.49Å; V837-F894 HydrophobicContact CB-CZ 4.14Å; V837-F894 HydrophobicContact CG1-CE2 4.07Å; V837-F894 HydrophobicContact CG1-CZ 4Å; V839-F894 HydrophobicContact CG2-CD1 3.72Å; V839-F894 HydrophobicContact CG2-CE1 3.71Å; V839-F894 HydrophobicContact CG2-CG 4.44Å; V839-F894 HydrophobicContact CG2-CZ 4.38Å; I856-F894 HydrophobicContact CG2-CD1 4.06Å; L857-F894 CarbonylContact O-C 3.25Å; L857-F894 WeakPolarHBondContact O-CA 3.27Å; Y858-F894 VanDerWaalsContact CB-CD1 3.46Å; Y858-F894 HydrophobicContact CD1-CE1 4.34Å; Y858-F894 HydrophobicContact CD2-CE1 4.19Å; Y858-F894 HydrophobicContact CD2-CZ 4.34Å; Y858-F894 HydrophobicContact CG-CD1 4.2Å; Y858-F894 AromaticContact CG-CE1 3.79Å; Y858-F894 HydrophobicContact CG-CE1 3.79Å; Y858-F894 HydrophobicContact CG-CZ 4.36Å; V883-F894 HydrophobicContact CB-CE1 4.17Å; V883-F894 HydrophobicContact CG1-CE1 4.27Å; V883-F894 HydrophobicContact CG2-CE1 4.01Å; L886-F894 HydrophobicContact CD1-CZ 4.44Å; Y892-F894 VanDerWaalsContact CB-CE2 3.47Å; Y892-F894 HydrophobicContact CG-CE2 4.43Å; F894-V910 WeakPolarHBondContact O-CA 3.4Å; F894-V911 PolarHBondContact N-O 3.19Å; F894-V911 PolarHBondContact O-N 2.83Å; F894-V913 HydrophobicContact CD2-CG1 4.17Å; F894-V913 HydrophobicContact CE2-CG1 3.73Å |
| 895 | K | 95.8 | Very high | 92.4 | Very high | 10 Ų | 10 | 35.5 Ų | 35.5 | 4% | 0.043 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 150.2 | 164.4 | 62.8 | -179.8 | -162.5 | 160.4 | 0 | 110.6 | L857 E866 W869 F907 S908 V910 | L857-K895 HydrophobicContact CB-CG 4.08Å; L857-K895 PolarHBondContact N-O 2.83Å; L857-K895 PolarHBondContact O-N 2.87Å; E866-K895 IonicContact OE1-NZ 3.8Å; E866-K895 PolarHBondContact OE1-NZ 3.04Å; E866-K895 IonicContact OE2-NZ 3.72Å; E866-K895 PolarHBondContact OE2-NZ 2.83Å; W869-K895 HydrophobicContact CZ3-CD 4.29Å; W869-K895 HydrophobicContact CZ3-CG 4.18Å; K895-F907 HydrophobicContact CB-CB 4.3Å; K895-F907 HydrophobicContact CB-CD1 4.48Å; K895-F907 HydrophobicContact CD-CB 3.78Å; K895-F907 HydrophobicContact CD-CD1 4.17Å; K895-F907 HydrophobicContact CD-CG 3.98Å; K895-F907 HydrophobicContact CG-CB 4.13Å; K895-F907 HydrophobicContact CG-CD1 3.87Å; K895-F907 HydrophobicContact CG-CG 4.18Å; K895-S908 WeakPolarHBondContact CA-OG 3.39Å; K895-V910 HydrophobicContact CB-CG2 4.3Å; K895-V910 HydrophobicContact CD-CG2 4.12Å |
| 896 | V | 95.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 135 | -176.2 | -172.4 | 0 | 0 | 0 | 0 | 110.1 | P824 L827 V839 W841 Y854 R855 I856 F907 S908 | P824-V896 VanDerWaalsContact CD-O 3.31Å; P824-V896 WeakPolarHBondContact CD-O 3.49Å; P824-V896 HydrophobicContact CG-CB 4.44Å; P824-V896 HydrophobicContact CG-CG1 4.19Å; L827-V896 HydrophobicContact CD1-CG2 3.61Å; L827-V896 HydrophobicContact CD2-CG2 4.2Å; V839-V896 HydrophobicContact CG1-CG2 4.02Å; W841-V896 HydrophobicContact CD2-CG1 3.88Å; W841-V896 HydrophobicContact CD2-CG2 4.41Å; W841-V896 HydrophobicContact CE3-CG1 4.13Å; W841-V896 HydrophobicContact CE3-CG2 3.94Å; W841-V896 HydrophobicContact CG-CG1 4.25Å; W841-V896 HydrophobicContact CZ2-CG1 4.44Å; W841-V896 HydrophobicContact CZ3-CG2 4.37Å; Y854-V896 HydrophobicContact CD1-CG1 4.16Å; R855-V896 WeakPolarHBondContact O-CA 3.31Å; I856-V896 HydrophobicContact CG1-CG1 4.29Å; I856-V896 HydrophobicContact CG1-CG2 4.07Å; I856-V896 HydrophobicContact CG2-CG2 4.29Å; V896-F907 CarbonylContact O-C 3.51Å; V896-F907 WeakPolarHBondContact O-CA 3.25Å; V896-S908 PolarHBondContact N-OG 3.2Å; V896-S908 PolarHBondContact O-N 2.61Å |
| 897 | G | 94.1 | Very high | 92.7 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 138.7 | 176 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y854 R855 F907 | Y854-G897 CarbonylContact C-O 3.55Å; Y854-G897 WeakPolarHBondContact CA-O 3.08Å; R855-G897 PolarHBondContact N-O 3.22Å; R855-G897 PolarHBondContact O-N 3.1Å; G897-F907 VanDerWaalsContact N-CD1 3.31Å |
| 898 | A | 93.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 151.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | P820 P824 P844 I851 Y854 G905 | P820-A898 HydrophobicContact CG-CB 4Å; P824-A898 HydrophobicContact CG-CB 4.14Å; P844-A898 HydrophobicContact CG-CB 3.52Å; I851-A898 HydrophobicContact CD1-CB 4.13Å; I851-A898 HydrophobicContact CG2-CB 4.22Å; Y854-A898 HydrophobicContact CD1-CB 3.87Å; Y854-A898 HydrophobicContact CE1-CB 3.64Å; A898-G905 PolarHBondContact O-N 2.82Å |
| 899 | S | 91.9 | Very high | 93 | Very high | 7 Ų | 7 | 38.4 Ų | 38.4 | 5% | 0.049 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 138.2 | 172.8 | -51.3 | 0 | 0 | 0 | 0 | 111 | I851 V852 S853 G903 S904 | I851-S899 CarbonylContact C-O 3.59Å; I851-S899 WeakPolarHBondContact CA-O 3.5Å; I851-S899 WeakPolarHBondContact CG2-O 3.33Å; V852-S899 PolarHBondContact N-O 3.09Å; S853-S899 PolarHBondContact N-O 3.37Å; S853-S899 PolarHBondContact O-N 2.84Å; S899-G903 WeakPolarHBondContact CA-O 3.43Å; S899-S904 WeakPolarHBondContact OG-CA 3.47Å; S899-S904 WeakPolarHBondContact OG-CB 3.27Å; S899-S904 PolarHBondContact OG-OG 2.92Å |
| 900 | T | 92.3 | Very high | 93.3 | Very high | 5 Ų | 5 | 40.8 Ų | 40.8 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 176.9 | 163.3 | 64.9 | 0 | 0 | 0 | 0 | 109.2 | D818 P820 P847 I850 I851 V902 G903 | D818-T900 WeakPolarHBondContact O-CB 3.49Å; D818-T900 WeakPolarHBondContact O-CG2 3.45Å; D818-T900 PolarHBondContact O-OG1 2.72Å; P820-T900 HydrophobicContact CG-CG2 4.05Å; P847-T900 WeakPolarHBondContact O-CG2 3.38Å; I850-T900 WeakPolarHBondContact O-CA 3.45Å; I850-T900 WeakPolarHBondContact O-CB 3.47Å; I850-T900 WeakPolarHBondContact O-CG2 3.42Å; I851-T900 HydrophobicContact CD1-CG2 3.94Å; T900-V902 PolarHBondContact O-N 2.73Å; T900-V902 PolarHBondContact OG1-N 2.79Å; T900-G903 PolarHBondContact N-O 3.03Å; T900-G903 PolarHBondContact O-N 3.09Å; T900-G903 VanDerWaalsContact O-N 3.15Å |
| 901 | K | 85.5 | Confident | 93.5 | Very high | 168 Ų | 168 | 41 Ų | 41 | 73% | 0.73 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -12.3 | 171.4 | 69.6 | 172.8 | -179.4 | 177.5 | 0 | 114.9 | P817 V852 | P817-K901 VanDerWaalsContact CG-CE 3.47Å; V852-K901 HydrophobicContact CG1-CB 4.27Å |
| 902 | V | 90.7 | Very high | 93.5 | Very high | 82 Ų | 82 | 38 Ų | 38 | 50% | 0.497 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -31.7 | 179.9 | -176.5 | 0 | 0 | 0 | 0 | 111.4 | P817 T900 | P817-V902 HydrophobicContact CB-CG2 4.19Å; P817-V902 HydrophobicContact CG-CG2 4.09Å; T900-V902 PolarHBondContact O-N 2.73Å; T900-V902 PolarHBondContact OG1-N 2.79Å |
| 903 | G | 89.3 | Confident | 93.5 | Very high | 26 Ų | 26 | 38.7 Ų | 38.7 | 27% | 0.268 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.9 | 178.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S899 T900 | S899-G903 WeakPolarHBondContact CA-O 3.43Å; T900-G903 PolarHBondContact N-O 3.03Å; T900-G903 PolarHBondContact O-N 3.09Å; T900-G903 VanDerWaalsContact O-N 3.15Å |
| 904 | S | 91.1 | Very high | 93.4 | Very high | 49 Ų | 49 | 43 Ų | 43 | 34% | 0.343 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 137.9 | 176.5 | -54.3 | 0 | 0 | 0 | 0 | 112 | R819 S899 | R819-S904 WeakPolarHBondContact CD-O 3.39Å; S899-S904 WeakPolarHBondContact OG-CA 3.47Å; S899-S904 WeakPolarHBondContact OG-CB 3.27Å; S899-S904 PolarHBondContact OG-OG 2.92Å |
| 905 | G | 92.2 | Very high | 93.1 | Very high | 10 Ų | 10 | 43 Ų | 43 | 10% | 0.103 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | -172.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112 | P820 A898 | P820-G905 WeakPolarHBondContact O-CA 3.45Å; A898-G905 PolarHBondContact O-N 2.82Å |
| 906 | P | 94.6 | Very high | 92.7 | Very high | 56 Ų | 56 | 45.7 Ų | 45.7 | 36% | 0.364 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 154.9 | 176.5 | 30.3 | -34.6 | 0 | 0 | 0 | 111.7 | P820 S821 P823 | P820-P906 VanDerWaalsContact O-CD 3.25Å; P820-P906 WeakPolarHBondContact O-CD 3.27Å; S821-P906 WeakPolarHBondContact O-CG 3.36Å; P823-P906 HydrophobicContact CB-CG 4.29Å |
| 907 | F | 94.9 | Very high | 92.3 | Very high | 53 Ų | 53 | 52.1 Ų | 52.1 | 23% | 0.232 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 151.3 | 169.7 | -71.7 | -89.8 | 0 | 0 | 0 | 111 | P823 R855 L857 K895 V896 G897 | P823-F907 VanDerWaalsContact CB-C 3.48Å; P823-F907 WeakPolarHBondContact CB-O 3.18Å; R855-F907 HydrophobicContact CB-CE1 4.41Å; L857-F907 HydrophobicContact CB-CE1 4.4Å; L857-F907 HydrophobicContact CD1-CD1 4.4Å; L857-F907 HydrophobicContact CD1-CE1 3.65Å; L857-F907 HydrophobicContact CD1-CE2 4.04Å; L857-F907 HydrophobicContact CD1-CZ 3.43Å; L857-F907 VanDerWaalsContact CD1-CZ 3.43Å; L857-F907 HydrophobicContact CG-CE1 3.67Å; L857-F907 HydrophobicContact CG-CZ 3.88Å; K895-F907 HydrophobicContact CB-CB 4.3Å; K895-F907 HydrophobicContact CB-CD1 4.48Å; K895-F907 HydrophobicContact CD-CB 3.78Å; K895-F907 HydrophobicContact CD-CD1 4.17Å; K895-F907 HydrophobicContact CD-CG 3.98Å; K895-F907 HydrophobicContact CG-CB 4.13Å; K895-F907 HydrophobicContact CG-CD1 3.87Å; K895-F907 HydrophobicContact CG-CG 4.18Å; V896-F907 CarbonylContact O-C 3.51Å; V896-F907 WeakPolarHBondContact O-CA 3.25Å; G897-F907 VanDerWaalsContact N-CD1 3.31Å |
| 908 | S | 95.7 | Very high | 91.4 | Very high | 7 Ų | 7 | 54.2 Ų | 54.2 | 5% | 0.049 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -54.9 | 161.6 | 166.2 | 70.7 | 0 | 0 | 0 | 0 | 111.5 | L827 K895 V896 | L827-S908 VanDerWaalsContact CD2-OG 3.28Å; L827-S908 WeakPolarHBondContact CD2-OG 3.38Å; K895-S908 WeakPolarHBondContact CA-OG 3.39Å; V896-S908 PolarHBondContact N-OG 3.2Å; V896-S908 PolarHBondContact O-N 2.61Å |
| 909 | P | 93.4 | Very high | 90.1 | Very high | 101 Ų | 101 | 60.4 Ų | 60.4 | 66% | 0.656 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -49.5 | 150.4 | 160 | -24.9 | 35.2 | 0 | 0 | 0 | 111.2 | V911 | P909-V911 PolarHBondContact O-N 3.1Š|
| 910 | V | 94.6 | Very high | 88.2 | Confident | 69 Ų | 69 | 69.4 Ų | 69.4 | 42% | 0.418 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -73.9 | 126.1 | 175.6 | 178.5 | 0 | 0 | 0 | 0 | 109 | L862 W869 F893 F894 K895 | L862-V910 HydrophobicContact CD2-CG1 4.16Å; W869-V910 HydrophobicContact CH2-CG1 4.37Å; W869-V910 HydrophobicContact CH2-CG2 4.06Å; F893-V910 HydrophobicContact CB-CG1 3.77Å; F893-V910 HydrophobicContact CD1-CG1 4.18Å; F893-V910 HydrophobicContact CG-CG1 4.45Å; F894-V910 WeakPolarHBondContact O-CA 3.4Å; K895-V910 HydrophobicContact CB-CG2 4.3Å; K895-V910 HydrophobicContact CD-CG2 4.12Å |
| 911 | V | 95.3 | Very high | 86.2 | Confident | 48 Ų | 48 | 78 Ų | 78 | 29% | 0.291 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 144.2 | 173.4 | -173.8 | 0 | 0 | 0 | 0 | 107.7 | L827 L829 F894 P909 | L827-V911 HydrophobicContact CB-CG2 4.19Å; L827-V911 HydrophobicContact CD2-CB 4.15Å; L827-V911 HydrophobicContact CD2-CG2 3.89Å; L827-V911 HydrophobicContact CG-CB 4.38Å; L827-V911 HydrophobicContact CG-CG2 4.03Å; L829-V911 HydrophobicContact CD1-CB 3.95Å; L829-V911 HydrophobicContact CD1-CG1 3.74Å; L829-V911 WeakPolarHBondContact CD1-O 3.39Å; L829-V911 HydrophobicContact CG-CB 4.33Å; L829-V911 HydrophobicContact CG-CG1 3.99Å; F894-V911 PolarHBondContact N-O 3.19Å; F894-V911 PolarHBondContact O-N 2.83Å; P909-V911 PolarHBondContact O-N 3.1Å |
| 912 | D | 95 | Very high | 84 | Confident | 65 Ų | 65 | 77 Ų | 77 | 35% | 0.348 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 155.3 | -178.2 | 84.1 | -102.7 | 0 | 0 | 0 | 113.2 | R891 Y892 F893 | R891-D912 IonicContact CZ-OD1 2.66Å; R891-D912 IonicContact CZ-OD2 2.77Å; R891-D912 IonicContact NE-OD1 3.87Å; R891-D912 IonicContact NE-OD2 3.91Å; R891-D912 PolarHBondContact NE-OD2 3.2Å; R891-D912 IonicContact NH2-OD1 3.97Å; R891-D912 PolarHBondContact NH2-OD1 2.89Å; R891-D912 IonicContact NH2-OD2 2.86Å; R891-D912 PolarHBondContact NH2-OD2 2.7Å; Y892-D912 CarbonylContact O-C 3.5Å; Y892-D912 VanDerWaalsContact O-CA 3.23Å; Y892-D912 WeakPolarHBondContact O-CA 3.36Å; Y892-D912 WeakPolarHBondContact O-CB 3.35Å; F893-D912 HydrophobicContact CD1-CB 3.5Å; F893-D912 HydrophobicContact CE1-CB 3.71Å; F893-D912 HydrophobicContact CG-CB 4.34Å |
| 913 | V | 94.7 | Very high | 81.9 | Confident | 20 Ų | 20 | 78 Ų | 78 | 12% | 0.121 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 145.3 | 175.5 | 66.6 | 0 | 0 | 0 | 0 | 109.7 | L829 A831 V837 Y892 F894 | L829-V913 HydrophobicContact CB-CB 3.95Å; L829-V913 HydrophobicContact CB-CG1 4.15Å; L829-V913 HydrophobicContact CB-CG2 4.42Å; L829-V913 HydrophobicContact CD1-CB 3.91Å; L829-V913 HydrophobicContact CD1-CG1 3.86Å; A831-V913 HydrophobicContact CB-CG2 4.08Å; V837-V913 HydrophobicContact CB-CG1 4.46Å; V837-V913 HydrophobicContact CG1-CG1 3.86Å; V837-V913 HydrophobicContact CG2-CG1 3.71Å; Y892-V913 PolarHBondContact N-O 2.82Å; Y892-V913 PolarHBondContact O-N 2.9Å; F894-V913 HydrophobicContact CD2-CG1 4.17Å; F894-V913 HydrophobicContact CE2-CG1 3.73Å |
| 914 | Q | 93.9 | Very high | 80.1 | Confident | 123 Ų | 123 | 82.2 Ų | 82.2 | 58% | 0.575 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 127.1 | 172.2 | -168.6 | 169.5 | 8.5 | 0 | 0 | 109.9 | G889 | G889-Q914 PolarHBondContact O-NE2 2.9Å |
| 915 | T | 91.7 | Very high | 78.1 | Confident | 2 Ų | 2 | 86.7 Ų | 86.7 | 1% | 0.012 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 142.7 | 172.3 | 51.8 | 0 | 0 | 0 | 0 | 110 | V837 L886 S887 G889 T890 Y892 | V837-T915 HydrophobicContact CG2-CG2 4.06Å; L886-T915 HydrophobicContact CB-CG2 4.13Å; L886-T915 HydrophobicContact CD1-CG2 4.1Å; S887-T915 PolarHBondContact O-OG1 3.32Å; G889-T915 WeakPolarHBondContact CA-O 3.28Å; G889-T915 PolarHBondContact N-O 2.98Å; G889-T915 VanDerWaalsContact N-O 3.11Å; G889-T915 PolarHBondContact N-OG1 2.9Å; T890-T915 PolarHBondContact N-OG1 3.04Å; T890-T915 PolarHBondContact O-N 2.89Å; T890-T915 PolarHBondContact O-OG1 2.67Å; Y892-T915 HydrophobicContact CD2-CG2 4.11Å; Y892-T915 HydrophobicContact CE2-CG2 4.17Å |
| 916 | P | 86.7 | Confident | 76 | Confident | 65 Ų | 65 | 88.7 Ų | 88.7 | 42% | 0.422 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -50.7 | 150.7 | 167.5 | -28.8 | 34.3 | 0 | 0 | 0 | 112.5 | S834 G888 G889 | S834-P916 VanDerWaalsContact CA-O 3.31Å; S834-P916 WeakPolarHBondContact CA-O 3.43Å; S834-P916 WeakPolarHBondContact CB-O 3.45Å; G888-P916 CarbonylContact C-O 3.56Å; G888-P916 VanDerWaalsContact CA-O 3.29Å; G888-P916 WeakPolarHBondContact CA-O 3.34Å; G889-P916 PolarHBondContact N-O 2.9Å |
| 917 | L | 86.4 | Confident | 74 | Confident | 135 Ų | 135 | 90.4 Ų | 90.4 | 71% | 0.707 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 149 | 170.8 | -76.9 | 164.2 | 0 | 0 | 0 | 110.5 | T919 | L917-T919 PolarHBondContact O-N 2.83Š|
| 918 | P | 76.4 | Confident | 72.1 | Confident | 47 Ų | 47 | 91.3 Ų | 91.3 | 31% | 0.305 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 119.3 | 171.4 | -11 | 25.4 | 0 | 0 | 0 | 109.2 | Y920 | P918-Y920 HydrophobicContact CB-CD2 4.3Å; P918-Y920 HydrophobicContact CB-CE2 3.89Å; P918-Y920 HydrophobicContact CG-CE2 4.21Å; P918-Y920 WeakPolarHBondContact O-CD2 3.28Å; P918-Y920 PolarHBondContact O-N 3.48Å |
| 919 | T | 65.2 | Low | 70.1 | Confident | 131 Ų | 131 | 93 Ų | 93 | 80% | 0.804 | 51% | 0.511 | S | S | * | . | trans | -73.2 | 93.3 | 169.3 | 46.4 | 0 | 0 | 0 | 0 | 108.6 | L917 E921 | L917-T919 PolarHBondContact O-N 2.83Å; T919-E921 PolarHBondContact O-N 3.36Å; T919-E921 VanDerWaalsContact O-N 3.07Å | ||
| 920 | Y | 53 | Low | 68.4 | Low | 196 Ų | 196 | 94 Ų | 94 | 77% | 0.769 | 51% | 0.51 | S | S | * | . | trans | -73 | 91.7 | 168.4 | -66.7 | -82 | 0 | 0 | 0 | 109.1 | P918 L922 | P918-Y920 HydrophobicContact CB-CD2 4.3Å; P918-Y920 HydrophobicContact CB-CE2 3.89Å; P918-Y920 HydrophobicContact CG-CE2 4.21Å; P918-Y920 WeakPolarHBondContact O-CD2 3.28Å; P918-Y920 PolarHBondContact O-N 3.48Å; Y920-L922 PolarHBondContact O-N 3.02Å | ||
| 921 | E | 49.3 | Very low | 66.6 | Low | 185 Ų | 185 | 95.7 Ų | 95.7 | 86% | 0.864 | 52% | 0.515 | S | S | * | . | trans | -64.6 | 119.9 | 154.6 | -69.5 | -170.1 | 148.4 | 0 | 0 | 107.4 | T919 D923 | T919-E921 PolarHBondContact O-N 3.36Å; T919-E921 VanDerWaalsContact O-N 3.07Å; E921-D923 PolarHBondContact O-N 2.85Å | ||
| 922 | L | 39.4 | Very low | 65 | Low | 148 Ų | 148 | 97.3 Ų | 97.3 | 78% | 0.775 | 53% | 0.525 | S | S | * | . | trans | -66.6 | 107.7 | 173.9 | -99 | 81.8 | 0 | 0 | 0 | 108.6 | Y920 I924 | Y920-L922 PolarHBondContact O-N 3.02Å; L922-I924 VanDerWaalsContact C-N 3.32Å; L922-I924 PolarHBondContact O-N 2.97Å | ||
| 923 | D | 46.5 | Very low | 63.4 | Low | 101 Ų | 101 | 96.2 Ų | 96.2 | 54% | 0.54 | 53% | 0.529 | S | S | . | . | trans | -70.2 | 93.7 | 164.9 | -177.1 | 9.7 | 0 | 0 | 0 | 109.8 | E921 H925 A926 | E921-D923 PolarHBondContact O-N 2.85Å; D923-H925 PolarHBondContact O-N 2.87Å; D923-H925 VanDerWaalsContact O-N 3.15Å; D923-H925 VanDerWaalsContact OD1-CB 3.27Å; D923-H925 WeakPolarHBondContact OD1-CB 3.38Å; D923-H925 IonicContact OD1-CG 2.6Å; D923-H925 PolarHBondContact OD1-N 2.94Å; D923-H925 IonicContact OD1-ND1 2.82Å; D923-A926 PolarHBondContact O-N 2.86Å | ||
| 924 | I | 52.9 | Low | 62 | Low | 115 Ų | 115 | 99.6 Ų | 99.6 | 59% | 0.59 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -58.5 | -22.7 | 176.3 | -68.1 | 169.2 | 0 | 0 | 0 | 111.4 | L922 T928 | L922-I924 VanDerWaalsContact C-N 3.32Å; L922-I924 PolarHBondContact O-N 2.97Å; I924-T928 PolarHBondContact O-N 2.84Å; I924-T928 PolarHBondContact O-OG1 2.98Å |
| 925 | H | 47.4 | Very low | 60.3 | Low | 143 Ų | 143 | 97 Ų | 97 | 66% | 0.662 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -76.5 | -30.6 | -177.3 | -65.5 | 53.6 | 0 | 0 | 0 | 112.7 | D923 V927 T928 G929 | D923-H925 PolarHBondContact O-N 2.87Å; D923-H925 VanDerWaalsContact O-N 3.15Å; D923-H925 VanDerWaalsContact OD1-CB 3.27Å; D923-H925 WeakPolarHBondContact OD1-CB 3.38Å; D923-H925 IonicContact OD1-CG 2.6Å; D923-H925 PolarHBondContact OD1-N 2.94Å; D923-H925 IonicContact OD1-ND1 2.82Å; H925-V927 VanDerWaalsContact C-N 3.32Å; H925-V927 PolarHBondContact O-N 3.23Å; H925-T928 WeakPolarHBondContact CA-OG1 3.48Å; H925-T928 PolarHBondContact O-N 3.09Å; H925-T928 PolarHBondContact O-OG1 3.46Å; H925-T928 VanDerWaalsContact O-OG1 3.05Å; H925-G929 PolarHBondContact O-N 2.97Å |
| 926 | A | 49.6 | Very low | 58.9 | Low | 53 Ų | 53 | 101.7 Ų | 101.7 | 44% | 0.438 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.1 | -39.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D923 I930 | D923-A926 PolarHBondContact O-N 2.86Å; A926-I930 WeakPolarHBondContact O-CG1 3.17Å; A926-I930 PolarHBondContact O-N 3.43Å |
| 927 | V | 51.3 | Low | 57.8 | Low | 91 Ų | 91 | 100.3 Ų | 100.3 | 55% | 0.552 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -69.1 | -41.7 | 178.5 | -177.1 | 0 | 0 | 0 | 0 | 111.3 | H925 I931 | H925-V927 VanDerWaalsContact C-N 3.32Å; H925-V927 PolarHBondContact O-N 3.23Å; V927-I931 HydrophobicContact CG1-CD1 4.38Å; V927-I931 WeakPolarHBondContact O-CG1 3.49Å; V927-I931 PolarHBondContact O-N 2.87Å |
| 928 | T | 55.6 | Low | 56.7 | Low | 72 Ų | 72 | 99 Ų | 99 | 44% | 0.442 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.5 | -36.5 | 176.8 | 57.1 | 0 | 0 | 0 | 0 | 112.3 | I924 H925 I931 V932 | I924-T928 PolarHBondContact O-N 2.84Å; I924-T928 PolarHBondContact O-OG1 2.98Å; H925-T928 WeakPolarHBondContact CA-OG1 3.48Å; H925-T928 PolarHBondContact O-N 3.09Å; H925-T928 PolarHBondContact O-OG1 3.46Å; H925-T928 VanDerWaalsContact O-OG1 3.05Å; T928-I931 PolarHBondContact O-N 3.02Å; T928-V932 WeakPolarHBondContact O-CG2 3Å; T928-V932 PolarHBondContact O-N 3Å |
| 929 | G | 52.8 | Low | 56.1 | Low | 43 Ų | 43 | 101 Ų | 101 | 44% | 0.443 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.7 | -40.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | H925 V932 G933 | H925-G929 PolarHBondContact O-N 2.97Å; G929-V932 PolarHBondContact O-N 3.49Å; G929-G933 PolarHBondContact O-N 2.87Å |
| 930 | I | 59.5 | Low | 55.6 | Low | 122 Ų | 122 | 98.6 Ų | 98.6 | 63% | 0.626 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.5 | -42.9 | 177.5 | -68.3 | 165.9 | 0 | 0 | 0 | 111 | A926 G933 V934 | A926-I930 WeakPolarHBondContact O-CG1 3.17Å; A926-I930 PolarHBondContact O-N 3.43Å; I930-G933 PolarHBondContact O-N 2.98Å; I930-V934 WeakPolarHBondContact O-CG2 3.14Å; I930-V934 PolarHBondContact O-N 3.28Å; I930-V934 VanDerWaalsContact O-N 3.1Å |
| 931 | I | 56.2 | Low | 56.1 | Low | 104 Ų | 104 | 94.7 Ų | 94.7 | 53% | 0.533 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 177.6 | -64.8 | 167.8 | 0 | 0 | 0 | 110.5 | V927 T928 G933 V934 C935 | V927-I931 HydrophobicContact CG1-CD1 4.38Å; V927-I931 WeakPolarHBondContact O-CG1 3.49Å; V927-I931 PolarHBondContact O-N 2.87Å; T928-I931 PolarHBondContact O-N 3.02Å; I931-G933 PolarHBondContact O-N 2.96Å; I931-V934 PolarHBondContact O-N 3.2Å; I931-C935 PolarHBondContact O-N 3.37Å; I931-C935 VanDerWaalsContact O-N 3.13Å; I931-C935 PolarHBondContact O-SG 2.86Å; I931-C935 VanDerWaalsContact O-SG 3.39Å |
| 932 | V | 61.2 | Low | 56.5 | Low | 83 Ų | 83 | 91.6 Ų | 91.6 | 50% | 0.503 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.6 | -38.8 | 178.5 | 172 | 0 | 0 | 0 | 0 | 111.9 | T928 G929 C935 L936 | T928-V932 WeakPolarHBondContact O-CG2 3Å; T928-V932 PolarHBondContact O-N 3Å; G929-V932 PolarHBondContact O-N 3.49Å; V932-C935 PolarHBondContact O-N 2.97Å; V932-L936 HydrophobicContact CG1-CD1 3.79Å; V932-L936 HydrophobicContact CG1-CG 4.38Å; V932-L936 WeakPolarHBondContact O-CB 3.48Å; V932-L936 WeakPolarHBondContact O-CG 3.46Å; V932-L936 PolarHBondContact O-N 3.11Å |
| 933 | G | 61.2 | Low | 57.3 | Low | 41 Ų | 41 | 89.7 Ų | 89.7 | 42% | 0.423 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | G929 I930 I931 L936 G937 | G929-G933 PolarHBondContact O-N 2.87Å; I930-G933 PolarHBondContact O-N 2.98Å; I931-G933 PolarHBondContact O-N 2.96Å; G933-L936 PolarHBondContact O-N 2.93Å; G933-G937 PolarHBondContact O-N 2.69Å |
| 934 | V | 65.7 | Low | 57.5 | Low | 91 Ų | 91 | 89.1 Ų | 89.1 | 55% | 0.552 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.8 | -41.4 | 176.2 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | I930 I931 G937 L938 | I930-V934 WeakPolarHBondContact O-CG2 3.14Å; I930-V934 PolarHBondContact O-N 3.28Å; I930-V934 VanDerWaalsContact O-N 3.1Å; I931-V934 PolarHBondContact O-N 3.2Å; V934-G937 PolarHBondContact O-N 2.79Å; V934-L938 HydrophobicContact CG1-CD1 4.34Å; V934-L938 PolarHBondContact O-N 2.77Å |
| 935 | C | 58.4 | Low | 57.5 | Low | 68 Ų | 68 | 90.6 Ų | 90.6 | 46% | 0.459 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 174.9 | -68.8 | 0 | 0 | 0 | 0 | 112.6 | I931 V932 L938 I939 | I931-C935 PolarHBondContact O-N 3.37Å; I931-C935 VanDerWaalsContact O-N 3.13Å; I931-C935 PolarHBondContact O-SG 2.86Å; I931-C935 VanDerWaalsContact O-SG 3.39Å; V932-C935 PolarHBondContact O-N 2.97Å; C935-L938 PolarHBondContact O-N 2.8Å; C935-I939 WeakPolarHBondContact O-CD1 3.49Å; C935-I939 VanDerWaalsContact O-CG1 3.32Å; C935-I939 WeakPolarHBondContact O-CG1 3.46Å; C935-I939 PolarHBondContact O-N 2.82Å |
| 936 | L | 62.5 | Low | 57.6 | Low | 102 Ų | 102 | 88.8 Ų | 88.8 | 53% | 0.534 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67 | -37.3 | 178.2 | -74.3 | 168.1 | 0 | 0 | 0 | 112.6 | V932 G933 I939 C940 | V932-L936 HydrophobicContact CG1-CD1 3.79Å; V932-L936 HydrophobicContact CG1-CG 4.38Å; V932-L936 WeakPolarHBondContact O-CB 3.48Å; V932-L936 WeakPolarHBondContact O-CG 3.46Å; V932-L936 PolarHBondContact O-N 3.11Å; G933-L936 PolarHBondContact O-N 2.93Å; L936-I939 PolarHBondContact O-N 3.12Å; L936-C940 PolarHBondContact O-N 3.43Å |
| 937 | G | 63 | Low | 57.4 | Low | 36 Ų | 36 | 95.2 Ų | 95.2 | 37% | 0.371 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.3 | -44.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G933 V934 I939 C940 I941 | G933-G937 PolarHBondContact O-N 2.69Å; V934-G937 PolarHBondContact O-N 2.79Å; G937-I939 PolarHBondContact O-N 2.76Å; G937-C940 PolarHBondContact O-N 3.4Å; G937-I941 WeakPolarHBondContact O-CG1 3.18Å; G937-I941 PolarHBondContact O-N 2.88Å |
| 938 | L | 63.3 | Low | 57 | Low | 107 Ų | 107 | 96 Ų | 96 | 56% | 0.56 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.8 | -38.3 | 175.9 | -78.6 | 161 | 0 | 0 | 0 | 112.6 | V934 C935 I941 L942 | V934-L938 HydrophobicContact CG1-CD1 4.34Å; V934-L938 PolarHBondContact O-N 2.77Å; C935-L938 PolarHBondContact O-N 2.8Å; L938-I941 PolarHBondContact O-N 3.03Å; L938-L942 PolarHBondContact O-N 2.89Å |
| 939 | I | 64.1 | Low | 56.4 | Low | 90 Ų | 90 | 101.6 Ų | 101.6 | 46% | 0.462 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.3 | -41.4 | 176.8 | -68.6 | 164.4 | 0 | 0 | 0 | 111.3 | C935 L936 G937 I941 L942 L943 | C935-I939 WeakPolarHBondContact O-CD1 3.49Å; C935-I939 VanDerWaalsContact O-CG1 3.32Å; C935-I939 WeakPolarHBondContact O-CG1 3.46Å; C935-I939 PolarHBondContact O-N 2.82Å; L936-I939 PolarHBondContact O-N 3.12Å; G937-I939 PolarHBondContact O-N 2.76Å; I939-I941 PolarHBondContact O-N 2.93Å; I939-L942 PolarHBondContact O-N 2.99Å; I939-L943 HydrophobicContact CG2-CD1 3.97Å; I939-L943 WeakPolarHBondContact O-CG 3.49Å; I939-L943 PolarHBondContact O-N 3.22Å |
| 940 | C | 55.6 | Low | 55.7 | Low | 80 Ų | 80 | 110.2 Ų | 110.2 | 54% | 0.541 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63 | -38.7 | 175.7 | -84 | 0 | 0 | 0 | 0 | 113.1 | L936 G937 L943 C944 | L936-C940 PolarHBondContact O-N 3.43Å; G937-C940 PolarHBondContact O-N 3.4Å; C940-L943 PolarHBondContact O-N 2.93Å; C940-C944 PolarHBondContact O-N 3.2Å |
| 941 | I | 63.1 | Low | 54.5 | Low | 113 Ų | 113 | 112.2 Ų | 112.2 | 58% | 0.579 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.8 | -41.3 | 177.6 | -67.2 | 166 | 0 | 0 | 0 | 110.9 | G937 L938 I939 C944 M945 | G937-I941 WeakPolarHBondContact O-CG1 3.18Å; G937-I941 PolarHBondContact O-N 2.88Å; L938-I941 PolarHBondContact O-N 3.03Å; I939-I941 PolarHBondContact O-N 2.93Å; I941-C944 PolarHBondContact O-N 2.76Å; I941-M945 WeakPolarHBondContact O-CG 3.46Å; I941-M945 PolarHBondContact O-N 2.77Å |
| 942 | L | 56.9 | Low | 53.4 | Low | 120 Ų | 120 | 112.3 Ų | 112.3 | 63% | 0.628 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.5 | -39.2 | 174.7 | -75.8 | 162.5 | 0 | 0 | 0 | 112.4 | L938 I939 M945 C946 | L938-L942 PolarHBondContact O-N 2.89Å; I939-L942 PolarHBondContact O-N 2.99Å; L942-M945 PolarHBondContact O-N 2.75Å; L942-C946 PolarHBondContact O-N 2.79Å |
| 943 | L | 55.9 | Low | 52.1 | Low | 108 Ų | 108 | 117.7 Ų | 117.7 | 57% | 0.565 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -69.8 | -36.9 | 178.2 | -71.2 | 168.7 | 0 | 0 | 0 | 113.1 | I939 C940 M945 C946 F947 | I939-L943 HydrophobicContact CG2-CD1 3.97Å; I939-L943 WeakPolarHBondContact O-CG 3.49Å; I939-L943 PolarHBondContact O-N 3.22Å; C940-L943 PolarHBondContact O-N 2.93Å; L943-M945 VanDerWaalsContact C-N 3.32Å; L943-M945 PolarHBondContact O-N 3.41Å; L943-C946 PolarHBondContact O-N 2.75Å; L943-F947 PolarHBondContact O-N 2.75Å |
| 944 | C | 52.3 | Low | 51.5 | Low | 90 Ų | 90 | 121 Ų | 121 | 61% | 0.608 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -64.4 | -33.9 | 174.3 | -77.8 | 0 | 0 | 0 | 0 | 113 | C940 I941 C946 F947 | C940-C944 PolarHBondContact O-N 3.2Å; I941-C944 PolarHBondContact O-N 2.76Å; C944-C946 VanDerWaalsContact C-N 3.3Å; C944-C946 PolarHBondContact O-N 3Å; C944-F947 PolarHBondContact O-N 2.67Å |
| 945 | M | 52 | Low | 49.8 | Very low | 146 Ų | 146 | 128.8 Ų | 128.8 | 72% | 0.719 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -65.4 | -32.6 | 175.4 | -69.4 | -80.1 | -117.1 | 0 | 0 | 112.3 | I941 L942 L943 | I941-M945 WeakPolarHBondContact O-CG 3.46Å; I941-M945 PolarHBondContact O-N 2.77Å; L942-M945 PolarHBondContact O-N 2.75Å; L943-M945 VanDerWaalsContact C-N 3.32Å; L943-M945 PolarHBondContact O-N 3.41Å |
| 946 | C | 49.3 | Very low | 48.6 | Very low | 104 Ų | 104 | 134.2 Ų | 134.2 | 70% | 0.703 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -76.1 | -25 | 179.3 | -68.2 | 0 | 0 | 0 | 0 | 114.3 | L942 L943 C944 | L942-C946 PolarHBondContact O-N 2.79Å; L943-C946 PolarHBondContact O-N 2.75Å; C944-C946 VanDerWaalsContact C-N 3.3Å; C944-C946 PolarHBondContact O-N 3Å |
| 947 | F | 45.3 | Very low | 47.9 | Very low | 188 Ų | 188 | 134.1 Ų | 134.1 | 83% | 0.825 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -85.2 | -16.2 | -173.5 | -131.1 | -89.1 | 0 | 0 | 0 | 114.4 | L943 C944 F949 | L943-F947 PolarHBondContact O-N 2.75Å; C944-F947 PolarHBondContact O-N 2.67Å; F947-F949 PolarHBondContact O-N 2.66Å |
| 948 | S | 42.9 | Very low | 46.4 | Very low | 107 Ų | 107 | 138.2 Ų | 138.2 | 75% | 0.748 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 6.6 | -176 | -61.1 | 0 | 0 | 0 | 0 | 114.9 | ||
| 949 | F | 42.8 | Very low | 44.9 | Very low | 191 Ų | 191 | 137 Ų | 137 | 84% | 0.838 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -107.7 | 37.3 | -175.3 | -113.3 | -76.6 | 0 | 0 | 0 | 114.3 | F947 | F947-F949 PolarHBondContact O-N 2.66Š|
| 950 | R | 38.6 | Very low | 43.3 | Very low | 224 Ų | 224 | 136.8 Ų | 136.8 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -152.1 | 134.8 | 163.2 | -116.1 | 167.9 | -174.1 | 178.1 | 1.3 | 114 | ||
| 951 | N | 33.6 | Very low | 42.2 | Very low | 164 Ų | 164 | 141.2 Ų | 141.2 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | trans | 78.3 | 133.4 | 174.2 | -58.1 | -11.1 | 0 | 0 | 0 | 116.8 | ||||
| 952 | S | 33.7 | Very low | 40.6 | Very low | 105 Ų | 105 | 140.3 Ų | 140.3 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -138.4 | 134.1 | -158.1 | 56.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 953 | K | 34.4 | Very low | 39.3 | Very low | 197 Ų | 197 | 138.9 Ų | 138.9 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | trans | 67.7 | 163.4 | 148.9 | -73 | -172.5 | 175.6 | -176.1 | 0 | 118.4 | ||||
| 954 | P | 48.9 | Very low | 38.1 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | cis | -140 | 161.2 | -39.4 | 37.3 | -22.1 | 0 | 0 | 0 | 114.3 | ||||
| 955 | R | 29.3 | Very low | 37 | Very low | 253 Ų | 253 | 140.7 Ų | 140.7 | 96% | 0.955 | 80% | 0.797 | S | S | * | * | trans | -164.5 | 145.5 | 136.7 | -111.7 | 169.7 | -175.7 | 179.3 | 1 | 111.7 | ||||
| 956 | E | 33 | Very low | 35.9 | Very low | 182 Ų | 182 | 140.2 Ų | 140.2 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | trans | -148.7 | 177.8 | -173.8 | -124.7 | -172.8 | -141.9 | 0 | 0 | 106.3 | ||||
| 957 | P | 47.3 | Very low | 35.1 | Very low | 100 Ų | 100 | 141.2 Ų | 141.2 | 65% | 0.649 | 81% | 0.805 | S | S | * | * | cis | -125 | 163.3 | -15.3 | 35.8 | -19.1 | 0 | 0 | 0 | 112.2 | ||||
| 958 | S | 31.4 | Very low | 35.1 | Very low | 122 Ų | 122 | 137 Ų | 137 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | 154.7 | 157.1 | 90.6 | 49.1 | 0 | 0 | 0 | 0 | 106.3 | |||||
| 959 | G | 32 | Very low | 34.5 | Very low | 82 Ų | 82 | 140.4 Ų | 140.4 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | cis | 153.7 | 127.1 | -2 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 960 | G | 31.7 | Very low | 33.9 | Very low | 86 Ų | 86 | 135.2 Ų | 135.2 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | trans | 157.5 | 100 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 961 | L | 31.1 | Very low | 33.5 | Very low | 172 Ų | 172 | 135.2 Ų | 135.2 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | trans | -74 | 146.7 | -175.3 | -88.3 | 142 | 0 | 0 | 0 | 116.7 | ||||
| 962 | S | 29.9 | Very low | 33.3 | Very low | 94 Ų | 94 | 137.7 Ų | 137.7 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | 77.5 | 106.5 | 126.7 | -156.1 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 963 | S | 29.8 | Very low | 33.1 | Very low | 90 Ų | 90 | 136.5 Ų | 136.5 | 63% | 0.629 | 79% | 0.794 | S | S | * | * | 81.4 | 150.1 | 117.9 | 74.8 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 964 | T | 30.1 | Very low | 32.9 | Very low | 144 Ų | 144 | 130.7 Ų | 130.7 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | 90.4 | 154.4 | 165.4 | 71.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 965 | A | 31.1 | Very low | 31.9 | Very low | 93 Ų | 93 | 131.6 Ų | 131.6 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -114 | -161.1 | -149.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 966 | V | 28.1 | Very low | 32.6 | Very low | 135 Ų | 135 | 125.7 Ų | 125.7 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | 96.3 | 115.1 | 165.2 | -175.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 967 | T | 33.3 | Very low | 32.6 | Very low | 126 Ų | 126 | 121.2 Ų | 121.2 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -62.8 | 154.8 | 161.5 | 49.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 968 | P | 43.3 | Very low | 33 | Very low | 100 Ų | 100 | 122.4 Ų | 122.4 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | -161.2 | 156.4 | 109.7 | 39.4 | -20.4 | 0 | 0 | 0 | 118 | |||||
| 969 | Q | 30.6 | Very low | 32.9 | Very low | 178 Ų | 178 | 120.7 Ų | 120.7 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | 59.4 | 167.5 | 131 | -68.1 | -174.6 | 22.5 | 0 | 0 | 121.3 | ||||
| 970 | C | 29.8 | Very low | 32.8 | Very low | 82 Ų | 82 | 122.4 Ų | 122.4 | 55% | 0.554 | 79% | 0.787 | S | S | * | * | cis | -158.8 | 150.9 | -1.4 | -128.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 971 | R | 31.1 | Very low | 32.5 | Very low | 224 Ų | 224 | 121.7 Ų | 121.7 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | 40.4 | 136.9 | 135.1 | -70.8 | 174.9 | 175.4 | -179.2 | -3.1 | 123.3 | ||||
| 972 | K | 30.2 | Very low | 33.5 | Very low | 216 Ų | 216 | 119.1 Ų | 119.1 | 94% | 0.939 | 77% | 0.773 | S | S | * | * | -174.4 | 154.3 | 94.4 | -91.7 | 171.2 | -176.1 | 178.9 | 0 | 108.1 | |||||
| 973 | G | 29.3 | Very low | 33.3 | Very low | 79 Ų | 79 | 122.9 Ų | 122.9 | 81% | 0.814 | 78% | 0.78 | S | S | * | * | cis | -159.6 | 172.8 | -7.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 974 | G | 29.7 | Very low | 33.1 | Very low | 75 Ų | 75 | 123.7 Ų | 123.7 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -137.7 | -178.7 | -161.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 975 | C | 27 | Very low | 32.9 | Very low | 131 Ų | 131 | 121.6 Ų | 121.6 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | trans | 74.2 | 154.3 | 168.3 | -62.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 976 | P | 45.2 | Very low | 32.7 | Very low | 128 Ų | 128 | 124.4 Ų | 124.4 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | cis | -122.6 | 178.5 | -4.1 | 35.2 | -16.7 | 0 | 0 | 0 | 115.2 | ||||
| 977 | A | 31.8 | Very low | 32.7 | Very low | 89 Ų | 89 | 122 Ų | 122 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | trans | -101.7 | -164.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 978 | P | 57.3 | Low | 32.4 | Very low | 124 Ų | 124 | 123.4 Ų | 123.4 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | cis | -136.5 | -178.9 | -11.2 | 41.2 | -23.8 | 0 | 0 | 0 | 115.2 | ||||
| 979 | A | 28.8 | Very low | 31.7 | Very low | 87 Ų | 87 | 125.9 Ų | 125.9 | 72% | 0.719 | 77% | 0.767 | S | S | * | * | trans | 143.7 | 136.8 | 130.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 980 | S | 29.1 | Very low | 31.5 | Very low | 118 Ų | 118 | 124 Ų | 124 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | trans | 44.8 | 134.3 | 153 | 51.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 981 | G | 25.4 | Very low | 31.4 | Very low | 71 Ų | 71 | 128 Ų | 128 | 73% | 0.732 | 77% | 0.773 | S | S | * | * | trans | -77.4 | -152.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 982 | P | 53 | Low | 31.3 | Very low | 117 Ų | 117 | 122 Ų | 122 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | cis | -133.1 | -158 | 11.4 | 42.3 | -23.2 | 0 | 0 | 0 | 114.1 | ||||
| 983 | E | 25.8 | Very low | 31.1 | Very low | 174 Ų | 174 | 120.1 Ų | 120.1 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | trans | 78.2 | 129.1 | 157.1 | -78.2 | -178.3 | 178.3 | 0 | 0 | 122.6 | ||||
| 984 | C | 24.3 | Very low | 31 | Very low | 107 Ų | 107 | 123.4 Ų | 123.4 | 72% | 0.723 | 76% | 0.756 | S | S | * | * | trans | 68.5 | 137.9 | 136.4 | -66.9 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 985 | S | 26.8 | Very low | 32 | Very low | 99 Ų | 99 | 125 Ų | 125 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | trans | 77.4 | 143.7 | 146.8 | 41.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 986 | D | 26.5 | Very low | 32.2 | Very low | 153 Ų | 153 | 124 Ų | 124 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | 70.7 | 148.6 | 156.6 | -61.6 | -10.6 | 0 | 0 | 0 | 118.8 | ||||
| 987 | S | 27.9 | Very low | 31.3 | Very low | 84 Ų | 84 | 120.6 Ų | 120.6 | 59% | 0.587 | 74% | 0.736 | S | S | * | * | cis | -176.9 | 172.1 | -20.9 | 54.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 988 | H | 28.2 | Very low | 31.2 | Very low | 155 Ų | 155 | 122.7 Ų | 122.7 | 72% | 0.718 | 74% | 0.74 | S | S | * | * | trans | 63.2 | 154.3 | 161.8 | -76.1 | -84.2 | 0 | 0 | 0 | 117.9 | ||||
| 989 | E | 28.3 | Very low | 30 | Very low | 152 Ų | 152 | 125.3 Ų | 125.3 | 71% | 0.71 | 74% | 0.741 | S | S | * | * | cis | -167.5 | -163.3 | -28.9 | -149.3 | 168.8 | -156.3 | 0 | 0 | 108.3 | ||||
| 990 | L | 26.7 | Very low | 30.1 | Very low | 138 Ų | 138 | 129.1 Ų | 129.1 | 72% | 0.723 | 74% | 0.744 | S | S | * | * | trans | 75 | 106.2 | -177.9 | -66.4 | 103.7 | 0 | 0 | 0 | 115.4 | ||||
| 991 | E | 26.2 | Very low | 30.1 | Very low | 168 Ų | 168 | 129.2 Ų | 129.2 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | 75.5 | 143.7 | 63.4 | -74.6 | -157.8 | 134.4 | 0 | 0 | 113.4 | |||||
| 992 | T | 29.1 | Very low | 30.3 | Very low | 97 Ų | 97 | 129.1 Ų | 129.1 | 60% | 0.595 | 74% | 0.744 | S | S | * | * | cis | -163 | 154.9 | -31.9 | -56.2 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 993 | L | 26.6 | Very low | 29.2 | Very low | 177 Ų | 177 | 132.7 Ų | 132.7 | 93% | 0.927 | 75% | 0.751 | S | S | * | * | trans | -163.1 | 131.5 | 136.3 | -106.3 | 161.3 | 0 | 0 | 0 | 112.9 | ||||
| 994 | M | 27.6 | Very low | 29.2 | Very low | 147 Ų | 147 | 133.1 Ų | 133.1 | 72% | 0.724 | 75% | 0.753 | S | S | * | * | trans | -98.3 | -169.4 | -177.4 | -89.2 | -77.4 | -79.9 | 0 | 0 | 110.1 | ||||
| 995 | P | 51.1 | Low | 30.5 | Very low | 109 Ų | 109 | 132.7 Ų | 132.7 | 71% | 0.708 | 75% | 0.748 | S | S | * | * | cis | -132.7 | -161.2 | 11 | 45.3 | -25.8 | 0 | 0 | 0 | 113.4 | ||||
| 996 | S | 29.7 | Very low | 30.7 | Very low | 109 Ų | 109 | 134 Ų | 134 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | cis | -162 | 167.8 | 1.2 | 16.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 997 | G | 27.8 | Very low | 30.8 | Very low | 58 Ų | 58 | 136.2 Ų | 136.2 | 60% | 0.598 | 76% | 0.755 | S | S | * | * | cis | 177.2 | 172.6 | -4.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 998 | T | 29.1 | Very low | 31 | Very low | 132 Ų | 132 | 139.4 Ų | 139.4 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | 54.8 | 114.3 | 160.7 | 52.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 999 | Q | 31.4 | Very low | 32 | Very low | 179 Ų | 179 | 137.4 Ų | 137.4 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | 79.8 | 145.5 | 64.5 | -80.2 | -172.4 | -44 | 0 | 0 | 114.3 | |||||
| 1000 | E | 30.7 | Very low | 32.3 | Very low | 168 Ų | 168 | 138.7 Ų | 138.7 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | cis | -147.4 | 159.3 | 31.4 | -67.1 | -179.7 | 122.3 | 0 | 0 | 116.5 | ||||
| 1001 | S | 30.7 | Very low | 32.5 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | trans | 31.4 | 156.4 | 139 | 81 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 1002 | G | 29 | Very low | 32.7 | Very low | 69 Ų | 69 | 138.9 Ų | 138.9 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | cis | 173.3 | 172.1 | -5.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1003 | Q | 28.8 | Very low | 32.7 | Very low | 192 Ų | 192 | 139.3 Ų | 139.3 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | trans | 70.2 | 112.4 | 157.1 | -64.9 | 179.4 | -16.3 | 0 | 0 | 125.1 | ||||
| 1004 | Q | 26.2 | Very low | 32.8 | Very low | 183 Ų | 183 | 138.1 Ų | 138.1 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | 24 | 165 | 122 | -116.5 | 129.2 | -11.8 | 0 | 0 | 123.1 | |||||
| 1005 | P | 52.5 | Low | 32.9 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | cis | -145.7 | -173.9 | -32 | 33.4 | -10.3 | 0 | 0 | 0 | 118.5 | ||||
| 1006 | T | 30.2 | Very low | 32 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | trans | 74 | 157.4 | 157.3 | 67.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1007 | K | 28.7 | Very low | 31.9 | Very low | 199 Ų | 199 | 138.8 Ų | 138.8 | 87% | 0.865 | 78% | 0.78 | S | S | * | * | cis | -161.2 | 163.5 | -4.2 | -126.8 | 175.7 | 179.9 | -175.2 | 0 | 110.9 | ||||
| 1008 | D | 31.5 | Very low | 31.9 | Very low | 151 Ų | 151 | 142 Ų | 142 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | trans | -60.4 | 167.5 | 165.7 | -78.5 | -52.6 | 0 | 0 | 0 | 114.4 | ||||
| 1009 | P | 50.6 | Low | 31.9 | Very low | 113 Ų | 113 | 143 Ų | 143 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | cis | -157.8 | 171.3 | 45.9 | 45.4 | -22.7 | 0 | 0 | 0 | 123 | ||||
| 1010 | E | 34.3 | Very low | 32.9 | Very low | 179 Ų | 179 | 140 Ų | 140 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | trans | 57.9 | 135.9 | 139.6 | -76.8 | -177.7 | 158.3 | 0 | 0 | 128.4 | ||||
| 1011 | E | 31.4 | Very low | 32.7 | Very low | 150 Ų | 150 | 136.1 Ų | 136.1 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | 69.9 | 105.8 | 144.3 | -62.7 | -140 | 116.6 | 0 | 0 | 126.8 | ||||
| 1012 | Q | 29.2 | Very low | 32.6 | Very low | 160 Ų | 160 | 134.3 Ų | 134.3 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | 46.5 | 124.3 | 124.4 | -54 | -166.4 | 48.4 | 0 | 0 | 123.7 | |||||
| 1013 | S | 28.9 | Very low | 32.6 | Very low | 106 Ų | 106 | 143.5 Ų | 143.5 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | 178.8 | 139 | 102.1 | 45.2 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 1014 | L | 30.1 | Very low | 32.6 | Very low | 152 Ų | 152 | 137.8 Ų | 137.8 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | trans | 54.6 | 110.1 | 147.2 | -61.3 | 168.4 | 0 | 0 | 0 | 120.5 | ||||
| 1015 | M | 29.6 | Very low | 32.8 | Very low | 174 Ų | 174 | 140.4 Ų | 140.4 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | 66.8 | 134 | 94.2 | -70.1 | -101.8 | -106 | 0 | 0 | 115.3 | |||||
| 1016 | A | 30.9 | Very low | 31.6 | Very low | 88 Ų | 88 | 141.6 Ų | 141.6 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | cis | -169.4 | 176.5 | -14.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1017 | S | 28.6 | Very low | 31.5 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | cis | -156.3 | 168.3 | -1.8 | 62.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1018 | S | 28.4 | Very low | 31.4 | Very low | 124 Ų | 124 | 137.1 Ų | 137.1 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | trans | -159.8 | 151.9 | 170.6 | 60.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1019 | N | 28.9 | Very low | 31.3 | Very low | 155 Ų | 155 | 140.4 Ų | 140.4 | 83% | 0.829 | 84% | 0.836 | S | S | * | * | trans | -115.7 | 170.4 | 168.5 | -138.1 | 14.9 | 0 | 0 | 0 | 106.3 | ||||
| 1020 | P | 50.7 | Low | 30.4 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 75% | 0.753 | 84% | 0.841 | S | S | * | * | cis | -128.8 | 170.7 | -48.1 | 32.6 | -16.2 | 0 | 0 | 0 | 113.2 | ||||
| 1021 | G | 28.1 | Very low | 30.2 | Very low | 86 Ų | 86 | 139.8 Ų | 139.8 | 89% | 0.887 | 84% | 0.841 | S | S | * | * | trans | 108.1 | 136.3 | 150 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1022 | G | 28.3 | Very low | 30.1 | Very low | 82 Ų | 82 | 139.3 Ų | 139.3 | 85% | 0.845 | 85% | 0.849 | S | S | * | * | trans | 167.8 | 113.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1023 | R | 28.7 | Very low | 30.2 | Very low | 262 Ų | 262 | 138.1 Ų | 138.1 | 99% | 0.989 | 86% | 0.855 | S | S | * | * | trans | -67.8 | 149.5 | 171.7 | -59.9 | 165.6 | 173 | 179.2 | -3.8 | 110.9 | ||||
| 1024 | G | 29.5 | Very low | 30.2 | Very low | 72 Ų | 72 | 140.1 Ų | 140.1 | 74% | 0.742 | 86% | 0.862 | S | S | * | * | trans | 174 | 98.4 | 161.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1025 | R | 29.6 | Very low | 30.2 | Very low | 237 Ų | 237 | 139.3 Ų | 139.3 | 89% | 0.894 | 87% | 0.866 | S | S | * | * | trans | 25.6 | 136.2 | 145.4 | -69.6 | 179.7 | 173.5 | 178.8 | -2.7 | 121.6 | ||||
| 1026 | C | 26.3 | Very low | 30.3 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 84% | 0.838 | 87% | 0.867 | S | S | * | * | trans | 44.4 | 130.8 | 133.1 | -49.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1027 | S | 28.2 | Very low | 30.2 | Very low | 112 Ų | 112 | 140.5 Ų | 140.5 | 78% | 0.783 | 88% | 0.877 | S | S | * | * | cis | -164.7 | 165.7 | 45.9 | 54.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1028 | C | 28.2 | Very low | 30.4 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 81% | 0.811 | 88% | 0.882 | S | S | * | * | trans | -12.7 | 128.9 | 166.8 | -50.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1029 | T | 29.7 | Very low | 30.6 | Very low | 220 Ų | 220 | 144.2 Ų | 144.2 | 100% | 1.35 | 88% | 0.884 | S | S | * | * | -135.8 | 0 | 102.5 | 34.7 | 0 | 0 | 0 | 0 | 109.8 |
Retrieved 1,029 of 1,029 residues in 161.6 ms
(Link to these results)