| 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 | 40.9 | Very low | 40.6 | Very low | 247 Ų | 247 | 147.9 Ų | 147.9 | 100% | 1.217 | 82% | 0.822 | S | S | * | * | 0 | 115.9 | 0 | -81 | -179 | 165 | 0 | 0 | 106.5 | |||||
| 2 | A | 37.7 | Very low | 40.1 | Very low | 100 Ų | 100 | 150.5 Ų | 150.5 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 122.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 3 | E | 38.1 | Very low | 40.5 | Very low | 195 Ų | 195 | 150.4 Ų | 150.4 | 91% | 0.911 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 122 | 167.3 | -89.6 | -149.4 | 111.4 | 0 | 0 | 109.5 | ||
| 4 | H | 42.6 | Very low | 40.6 | Very low | 172 Ų | 172 | 150.6 Ų | 150.6 | 80% | 0.796 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 133.5 | 163.1 | -96.8 | -94.2 | 0 | 0 | 0 | 109 | ||
| 5 | P | 52.5 | Low | 40 | Very low | 109 Ų | 109 | 148.7 Ų | 148.7 | 71% | 0.708 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 146 | 162.3 | 29.7 | -30.9 | 0 | 0 | 0 | 110.1 | ||
| 6 | P | 44.1 | Very low | 40.1 | Very low | 125 Ų | 125 | 145.9 Ų | 145.9 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 135.5 | 178 | 28.5 | -32 | 0 | 0 | 0 | 110.7 | L8 | P6-L8 PolarHBondContact O-N 3.11Š|
| 7 | L | 39.2 | Very low | 39.9 | Very low | 170 Ų | 170 | 146.8 Ų | 146.8 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 121.9 | 170.4 | -96.8 | 153.3 | 0 | 0 | 0 | 109.7 | D9 | L7-D9 PolarHBondContact O-N 2.88Å; L7-D9 VanDerWaalsContact O-N 3.07Å |
| 8 | L | 41.7 | Very low | 40.4 | Very low | 157 Ų | 157 | 145.7 Ų | 145.7 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | trans | -59 | 109.2 | 165.3 | -83.2 | 156.4 | 0 | 0 | 0 | 108.2 | P6 T10 | P6-L8 PolarHBondContact O-N 3.11Å; L8-T10 VanDerWaalsContact C-N 3.34Å; L8-T10 PolarHBondContact O-N 2.99Å; L8-T10 PolarHBondContact O-OG1 3.12Å | ||
| 9 | D | 33.2 | Very low | 40.1 | Very low | 128 Ų | 128 | 143.1 Ų | 143.1 | 68% | 0.684 | 80% | 0.801 | S | S | * | * | trans | -70 | 90.9 | 174 | -135.8 | -30.3 | 0 | 0 | 0 | 108.4 | L7 T11 | L7-D9 PolarHBondContact O-N 2.88Å; L7-D9 VanDerWaalsContact O-N 3.07Å; D9-T11 PolarHBondContact O-N 2.9Å; D9-T11 PolarHBondContact OD1-OG1 2.78Å | ||
| 10 | T | 39.7 | Very low | 40.2 | Very low | 120 Ų | 120 | 144.6 Ų | 144.6 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | trans | -76.2 | 55 | 174.6 | -46.1 | 0 | 0 | 0 | 0 | 110.3 | L8 | L8-T10 VanDerWaalsContact C-N 3.34Å; L8-T10 PolarHBondContact O-N 2.99Å; L8-T10 PolarHBondContact O-OG1 3.12Å | ||
| 11 | T | 37 | Very low | 40.4 | Very low | 104 Ų | 104 | 144.2 Ų | 144.2 | 64% | 0.638 | 80% | 0.801 | S | S | * | * | trans | -131.8 | 12.5 | -174.4 | 50.2 | 0 | 0 | 0 | 0 | 114.4 | D9 | D9-T11 PolarHBondContact O-N 2.9Å; D9-T11 PolarHBondContact OD1-OG1 2.78Å | ||
| 12 | Q | 34.2 | Very low | 40.4 | Very low | 179 Ų | 179 | 137.5 Ų | 137.5 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | trans | -105.3 | 12.3 | 175.5 | -65.2 | -165.6 | 34.1 | 0 | 0 | 115.3 | L14 | Q12-L14 PolarHBondContact O-N 2.89Š| ||
| 13 | I | 45.1 | Very low | 40.7 | Very low | 149 Ų | 149 | 136.5 Ų | 136.5 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | trans | -87.2 | 90.8 | 166.2 | -54.2 | 174.6 | 0 | 0 | 0 | 106.6 | ||||
| 14 | L | 42.6 | Very low | 41.4 | Very low | 154 Ų | 154 | 129 Ų | 129 | 81% | 0.806 | 74% | 0.739 | S | S | * | * | trans | 169.5 | 62.7 | 152.4 | -88 | 164.6 | 0 | 0 | 0 | 106.5 | Q12 S16 | Q12-L14 PolarHBondContact O-N 2.89Å; L14-S16 VanDerWaalsContact C-N 3.33Å; L14-S16 PolarHBondContact O-N 2.79Å; L14-S16 PolarHBondContact O-OG 3.22Å; L14-S16 VanDerWaalsContact O-OG 3.05Å | ||
| 15 | S | 31.6 | Very low | 41.8 | Very low | 122 Ų | 122 | 127.4 Ų | 127.4 | 85% | 0.853 | 74% | 0.735 | S | S | * | * | trans | -59.2 | 106 | 164.5 | -110.5 | 0 | 0 | 0 | 0 | 107.7 | D17 | S15-D17 PolarHBondContact O-N 3.11Š| ||
| 16 | S | 41.3 | Very low | 41.7 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | trans | -81.2 | 87.4 | -176.5 | -59.9 | 0 | 0 | 0 | 0 | 108.5 | L14 | L14-S16 VanDerWaalsContact C-N 3.33Å; L14-S16 PolarHBondContact O-N 2.79Å; L14-S16 PolarHBondContact O-OG 3.22Å; L14-S16 VanDerWaalsContact O-OG 3.05Å | ||
| 17 | D | 37.3 | Very low | 41.7 | Very low | 161 Ų | 161 | 122.8 Ų | 122.8 | 86% | 0.861 | 70% | 0.704 | S | S | * | * | trans | -161 | 43.2 | 171.2 | -109 | -44 | 0 | 0 | 0 | 113.4 | S15 | S15-D17 PolarHBondContact O-N 3.11Š| ||
| 18 | I | 48.1 | Very low | 42.1 | Very low | 126 Ų | 126 | 120.1 Ų | 120.1 | 65% | 0.646 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -109 | 107.6 | 171.7 | -53.7 | 172.6 | 0 | 0 | 0 | 107.8 | L20 | I18-L20 PolarHBondContact O-N 2.86Š|
| 19 | S | 35.7 | Very low | 42.9 | Very low | 97 Ų | 97 | 117 Ų | 117 | 68% | 0.678 | 69% | 0.691 | S | S | * | * | trans | -18 | 112.9 | 174 | -62.2 | 0 | 0 | 0 | 0 | 113.8 | L21 | S19-L21 PolarHBondContact O-N 3.46Š| ||
| 20 | L | 42.2 | Very low | 43.9 | Very low | 172 Ų | 172 | 113.3 Ų | 113.3 | 90% | 0.901 | 68% | 0.684 | S | S | * | * | trans | -60.8 | 85.2 | 169.9 | -63.9 | 171.1 | 0 | 0 | 0 | 109.3 | I18 | I18-L20 PolarHBondContact O-N 2.86Š| ||
| 21 | L | 43.1 | Very low | 44.7 | Very low | 137 Ų | 137 | 110.8 Ų | 110.8 | 72% | 0.717 | 67% | 0.668 | S | S | * | * | trans | -74.9 | 138.7 | 168.6 | -68.1 | -178.9 | 0 | 0 | 0 | 109.1 | S19 | S19-L21 PolarHBondContact O-N 3.46Š| ||
| 22 | S | 41 | Very low | 45.9 | Very low | 106 Ų | 106 | 109.8 Ų | 109.8 | 74% | 0.741 | 66% | 0.656 | S | S | * | * | trans | -32 | 143.7 | -172 | -70.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 23 | A | 45.5 | Very low | 47.6 | Very low | 79 Ų | 79 | 104.8 Ų | 104.8 | 65% | 0.653 | 63% | 0.632 | S | S | * | * | trans | -38.2 | 142.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112 | I25 | A23-I25 PolarHBondContact O-N 2.88Š| ||
| 24 | P | 50.8 | Low | 49.1 | Very low | 37 Ų | 37 | 99.2 Ų | 99.2 | 24% | 0.24 | 61% | 0.606 | C | S | . | * | trans | -56.6 | 126.5 | -178 | 23.3 | -31 | 0 | 0 | 0 | 108.7 | V26 V91 | P24-V26 PolarHBondContact O-N 3.36Å; P24-V91 HydrophobicContact CG-CG2 4.4Å | ||
| 25 | I | 51.8 | Low | 50.9 | Low | 140 Ų | 140 | 92 Ų | 92 | 72% | 0.718 | 57% | 0.568 | S | S | * | * | trans | -68.5 | 92.3 | 173.4 | -59.3 | 170.8 | 0 | 0 | 0 | 105.8 | A23 S27 | A23-I25 PolarHBondContact O-N 2.88Å; I25-S27 PolarHBondContact O-N 2.82Å | ||
| 26 | V | 49.8 | Very low | 53.4 | Low | 87 Ų | 87 | 87.5 Ų | 87.5 | 53% | 0.527 | 53% | 0.534 | S | S | . | . | trans | -70.7 | 114.8 | 168.9 | 167.7 | 0 | 0 | 0 | 0 | 106.6 | P24 | P24-V26 PolarHBondContact O-N 3.36Š| ||
| 27 | S | 45.7 | Very low | 55.4 | Low | 50 Ų | 50 | 82.6 Ų | 82.6 | 35% | 0.35 | 50% | 0.499 | S | S | . | . | trans | -62 | 143.2 | 170.1 | -179.5 | 0 | 0 | 0 | 0 | 109.3 | I25 D29 G30 | I25-S27 PolarHBondContact O-N 2.82Å; S27-D29 VanDerWaalsContact CB-OD1 3.23Å; S27-D29 WeakPolarHBondContact CB-OD1 3.31Å; S27-D29 PolarHBondContact O-N 2.86Å; S27-D29 PolarHBondContact OG-OD1 2.86Å; S27-G30 PolarHBondContact O-N 3.41Å | ||
| 28 | A | 47.7 | Very low | 57.6 | Low | 114 Ų | 114 | 77.7 Ų | 77.7 | 94% | 0.942 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -3.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 29 | D | 56.8 | Low | 59.3 | Low | 90 Ų | 90 | 71.8 Ų | 71.8 | 48% | 0.481 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -4.2 | 178.4 | 65.3 | -35.8 | 0 | 0 | 0 | 113.8 | S27 T31 | S27-D29 VanDerWaalsContact CB-OD1 3.23Å; S27-D29 WeakPolarHBondContact CB-OD1 3.31Å; S27-D29 PolarHBondContact O-N 2.86Å; S27-D29 PolarHBondContact OG-OD1 2.86Å; D29-T31 PolarHBondContact O-N 3.06Å; D29-T31 VanDerWaalsContact O-N 3.15Å; D29-T31 PolarHBondContact OD2-OG1 2.86Å |
| 30 | G | 54.8 | Low | 61.5 | Low | 52 Ų | 52 | 69.3 Ų | 69.3 | 54% | 0.536 | 42% | 0.42 | S | S | . | . | S | Bend | trans | 72.3 | 0.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | S27 | S27-G30 PolarHBondContact O-N 3.41Š|
| 31 | T | 56.9 | Low | 63.4 | Low | 66 Ų | 66 | 65.8 Ų | 65.8 | 41% | 0.405 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -88.1 | -36.7 | -177.9 | 66.8 | 0 | 0 | 0 | 0 | 112.4 | D29 P68 N69 | D29-T31 PolarHBondContact O-N 3.06Å; D29-T31 VanDerWaalsContact O-N 3.15Å; D29-T31 PolarHBondContact OD2-OG1 2.86Å; T31-P68 CarbonylContact C-O 3.54Å; T31-P68 CarbonylContact O-C 3.52Å; T31-N69 PolarHBondContact O-N 2.88Å |
| 32 | Q | 62.8 | Low | 65.2 | Low | 83 Ų | 83 | 62.9 Ų | 62.9 | 39% | 0.388 | 41% | 0.411 | S | S | . | . | trans | -102 | 122.8 | -174.7 | -64.8 | 174.6 | 43.1 | 0 | 0 | 112.4 | M66 S67 | Q32-M66 HydrophobicContact CB-SD 4.27Å; Q32-S67 WeakPolarHBondContact CA-O 3.36Å | ||
| 33 | Q | 70.1 | Confident | 67.1 | Low | 74 Ų | 74 | 58.9 Ų | 58.9 | 35% | 0.346 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 140.2 | 175.9 | -63.3 | -178.3 | 24 | 0 | 0 | 111 | S67 | Q33-S67 PolarHBondContact N-O 2.85Å; Q33-S67 WeakPolarHBondContact O-CA 3.32Å; Q33-S67 WeakPolarHBondContact O-CB 3.45Å; Q33-S67 PolarHBondContact O-N 2.87Å |
| 34 | V | 76.1 | Confident | 68.9 | Low | 33 Ų | 33 | 56.5 Ų | 56.5 | 20% | 0.2 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 120.9 | 172 | -177.4 | 0 | 0 | 0 | 0 | 109.3 | P64 M66 | V34-P64 HydrophobicContact CG1-CB 4.1Å; V34-M66 HydrophobicContact CG2-CE 3.9Å; V34-M66 HydrophobicContact CG2-SD 3.94Å |
| 35 | I | 79.4 | Confident | 70.5 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 136.4 | 174.1 | -60.5 | -177.2 | 0 | 0 | 0 | 108 | V37 P64 M65 S67 S71 V72 R92 V94 | I35-V37 HydrophobicContact CG2-CG2 4.45Å; I35-P64 CarbonylContact O-C 3.13Å; I35-P64 WeakPolarHBondContact O-CA 3.38Å; I35-M65 PolarHBondContact N-O 2.97Å; I35-M65 PolarHBondContact O-N 3.35Å; I35-S67 VanDerWaalsContact CD1-CB 3.5Å; I35-S71 WeakPolarHBondContact CD1-O 3.33Å; I35-V72 HydrophobicContact CD1-CG2 4.13Å; I35-R92 HydrophobicContact CG2-CB 4.22Å; I35-R92 VanDerWaalsContact CG2-O 3.25Å; I35-R92 WeakPolarHBondContact CG2-O 3.45Å; I35-V94 HydrophobicContact CG2-CG2 4.46Å |
| 36 | L | 84 | Confident | 72 | Confident | 28 Ų | 28 | 50 Ų | 50 | 15% | 0.147 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 104 | -179.8 | -76.6 | 131.2 | 0 | 0 | 0 | 109.8 | Q62 V91 R92 R93 | L36-Q62 HydrophobicContact CD2-CG 3.92Å; L36-V91 HydrophobicContact CB-CG1 4.22Å; L36-V91 HydrophobicContact CD1-CG1 3.61Å; L36-R92 PolarHBondContact N-O 2.93Å; L36-R93 VanDerWaalsContact O-CA 3.26Å; L36-R93 WeakPolarHBondContact O-CA 3.46Å |
| 37 | V | 83 | Confident | 73.7 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 129 | 177.1 | -179 | 0 | 0 | 0 | 0 | 109.5 | I35 F45 Q62 V63 M65 I75 V94 | I35-V37 HydrophobicContact CG2-CG2 4.45Å; V37-F45 HydrophobicContact CB-CE1 4.12Å; V37-F45 HydrophobicContact CB-CZ 4.19Å; V37-F45 HydrophobicContact CG1-CD1 3.8Å; V37-F45 HydrophobicContact CG1-CE1 3.22Å; V37-F45 HydrophobicContact CG1-CZ 3.67Å; V37-Q62 CarbonylContact O-C 3.57Å; V37-Q62 WeakPolarHBondContact O-CA 3.31Å; V37-V63 HydrophobicContact CB-CB 4.38Å; V37-V63 PolarHBondContact N-O 3.26Å; V37-V63 PolarHBondContact O-N 3.25Å; V37-M65 HydrophobicContact CG2-CG 4.07Å; V37-M65 HydrophobicContact CG2-SD 3.63Å; V37-I75 HydrophobicContact CG1-CD1 4.48Å; V37-I75 HydrophobicContact CG2-CD1 4.15Å; V37-V94 HydrophobicContact CB-CB 4.47Å; V37-V94 HydrophobicContact CG1-CB 4.04Å; V37-V94 HydrophobicContact CG2-CB 4.11Å; V37-V94 HydrophobicContact CG2-CG2 4.13Å |
| 38 | Q | 85 | Confident | 75.4 | Confident | 58 Ų | 58 | 51 Ų | 51 | 27% | 0.271 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 129.8 | 177.4 | 179.7 | 170.8 | -34 | 0 | 0 | 109.9 | V94 | Q38-V94 PolarHBondContact N-O 3.06Å |
| 39 | V | 83.7 | Confident | 76.9 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.012 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 124.3 | 176.2 | -158.9 | 0 | 0 | 0 | 0 | 108.2 | E43 F45 I57 P60 A61 | V39-E43 HydrophobicContact CG1-CB 4.14Å; V39-E43 VanDerWaalsContact CG1-O 3.27Å; V39-E43 WeakPolarHBondContact CG1-O 3.38Å; V39-F45 HydrophobicContact CB-CD1 4.5Å; V39-F45 HydrophobicContact CG1-CD1 4.42Å; V39-F45 HydrophobicContact CG2-CD1 3.37Å; V39-F45 HydrophobicContact CG2-CE1 3.12Å; V39-F45 HydrophobicContact CG2-CZ 4.32Å; V39-I57 HydrophobicContact CG2-CG2 4.21Å; V39-P60 VanDerWaalsContact O-CA 3.31Å; V39-P60 WeakPolarHBondContact O-CA 3.41Å; V39-A61 HydrophobicContact CB-CB 4.32Å; V39-A61 HydrophobicContact CG2-CB 4.21Å; V39-A61 PolarHBondContact N-O 3.3Å; V39-A61 PolarHBondContact O-N 2.82Å |
| 40 | N | 82.4 | Confident | 77.7 | Confident | 45 Ų | 45 | 56.5 Ų | 56.5 | 24% | 0.241 | 31% | 0.313 | C | S | . | . | trans | -80.1 | 160.9 | 177.6 | -52.8 | -53.8 | 0 | 0 | 0 | 110.9 | G42 E43 G59 | N40-G42 PolarHBondContact O-N 3.22Å; N40-E43 HydrophobicContact CB-CG 4.36Å; N40-E43 WeakPolarHBondContact CB-OE2 3.5Å; N40-E43 PolarHBondContact N-OE2 3.26Å; N40-E43 PolarHBondContact ND2-OE2 3.33Å; N40-E43 WeakPolarHBondContact O-CB 3.4Å; N40-E43 PolarHBondContact O-N 3.47Å; N40-E43 VanDerWaalsContact O-N 3.15Å; N40-G59 WeakPolarHBondContact O-CA 3.32Å | ||
| 41 | P | 82 | Confident | 78.9 | Confident | 99 Ų | 99 | 58.2 Ų | 58.2 | 64% | 0.643 | 31% | 0.31 | S | S | * | . | B | Isolated β-bridge | trans | -53.6 | 134.7 | 172.7 | -22.8 | 31.5 | 0 | 0 | 0 | 112.3 | E43 P60 | P41-E43 PolarHBondContact O-N 3.17Å; P41-P60 HydrophobicContact CG-CB 3.96Å; P41-P60 HydrophobicContact CG-CG 4.23Å |
| 42 | G | 79.1 | Confident | 80 | Confident | 75 Ų | 75 | 56.3 Ų | 56.3 | 77% | 0.773 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | -3.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | N40 | N40-G42 PolarHBondContact O-N 3.22Š|
| 43 | E | 81.6 | Confident | 80.9 | Confident | 22 Ų | 22 | 57.7 Ų | 57.7 | 10% | 0.103 | 31% | 0.31 | C | S | . | . | trans | -102.7 | 155.9 | 174.8 | -62 | -178.8 | 157.2 | 0 | 0 | 110.9 | V39 N40 P41 G59 Y81 V96 | V39-E43 HydrophobicContact CG1-CB 4.14Å; V39-E43 VanDerWaalsContact CG1-O 3.27Å; V39-E43 WeakPolarHBondContact CG1-O 3.38Å; N40-E43 HydrophobicContact CB-CG 4.36Å; N40-E43 WeakPolarHBondContact CB-OE2 3.5Å; N40-E43 PolarHBondContact N-OE2 3.26Å; N40-E43 PolarHBondContact ND2-OE2 3.33Å; N40-E43 WeakPolarHBondContact O-CB 3.4Å; N40-E43 PolarHBondContact O-N 3.47Å; N40-E43 VanDerWaalsContact O-N 3.15Å; P41-E43 PolarHBondContact O-N 3.17Å; E43-G59 PolarHBondContact O-N 2.88Å; E43-Y81 HydrophobicContact CG-CE1 4.22Å; E43-V96 VanDerWaalsContact CD-O 3.24Å; E43-V96 VanDerWaalsContact OE1-O 3.09Å | ||
| 44 | A | 83 | Confident | 81.5 | Confident | 29 Ų | 29 | 60.4 Ų | 60.4 | 24% | 0.24 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 150.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | I57 P78 | A44-I57 CarbonylContact C-O 3.53Å; A44-I57 WeakPolarHBondContact CA-O 3.5Å; A44-I57 WeakPolarHBondContact CB-O 3.49Å; A44-P78 VanDerWaalsContact O-CD 3.29Å; A44-P78 WeakPolarHBondContact O-CD 3.39Å |
| 45 | F | 83.9 | Confident | 81.9 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 159.5 | 165.4 | 73.5 | -103.5 | 0 | 0 | 0 | 110.5 | V37 V39 I47 C56 I57 V63 I75 V96 | V37-F45 HydrophobicContact CB-CE1 4.12Å; V37-F45 HydrophobicContact CB-CZ 4.19Å; V37-F45 HydrophobicContact CG1-CD1 3.8Å; V37-F45 HydrophobicContact CG1-CE1 3.22Å; V37-F45 HydrophobicContact CG1-CZ 3.67Å; V39-F45 HydrophobicContact CB-CD1 4.5Å; V39-F45 HydrophobicContact CG1-CD1 4.42Å; V39-F45 HydrophobicContact CG2-CD1 3.37Å; V39-F45 HydrophobicContact CG2-CE1 3.12Å; V39-F45 HydrophobicContact CG2-CZ 4.32Å; F45-I47 HydrophobicContact CD2-CG2 3.71Å; F45-I47 HydrophobicContact CE2-CB 4.27Å; F45-I47 HydrophobicContact CE2-CG1 4.2Å; F45-I47 HydrophobicContact CE2-CG2 3.35Å; F45-I47 HydrophobicContact CZ-CG2 4.48Å; F45-C56 CarbonylContact O-C 3.49Å; F45-C56 WeakPolarHBondContact O-CA 3.33Å; F45-I57 HydrophobicContact CE1-CB 4.16Å; F45-I57 HydrophobicContact CE1-CG2 4.36Å; F45-I57 HydrophobicContact CE2-CB 4.16Å; F45-I57 HydrophobicContact CE2-CD1 4.05Å; F45-I57 HydrophobicContact CE2-CG1 4.15Å; F45-I57 HydrophobicContact CZ-CB 3.96Å; F45-I57 HydrophobicContact CZ-CD1 3.87Å; F45-I57 HydrophobicContact CZ-CG1 4.2Å; F45-I57 HydrophobicContact CZ-CG2 4.38Å; F45-I57 PolarHBondContact N-O 2.91Å; F45-I57 PolarHBondContact O-N 3.27Å; F45-V63 HydrophobicContact CE1-CG2 4.21Å; F45-V63 HydrophobicContact CZ-CB 4.16Å; F45-V63 HydrophobicContact CZ-CG1 4.48Å; F45-V63 HydrophobicContact CZ-CG2 3.9Å; F45-I75 HydrophobicContact CB-CG2 3.63Å; F45-I75 HydrophobicContact CD2-CG2 3.99Å; F45-I75 HydrophobicContact CG-CG2 3.96Å; F45-V96 HydrophobicContact CB-CG2 3.96Å |
| 46 | T | 84.8 | Confident | 82.4 | Confident | 41 Ų | 41 | 67.3 Ų | 67.3 | 25% | 0.252 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 126.9 | 174.7 | -56.1 | 0 | 0 | 0 | 0 | 109.7 | F54 Q55 Y76 | T46-F54 HydrophobicContact CG2-CB 3.67Å; T46-F54 HydrophobicContact CG2-CD1 3.78Å; T46-F54 HydrophobicContact CG2-CG 4.16Å; T46-Q55 WeakPolarHBondContact CA-O 3.45Å; T46-Y76 PolarHBondContact N-O 3.26Å; T46-Y76 PolarHBondContact O-N 3.32Å |
| 47 | I | 86.1 | Confident | 82.5 | Confident | 14 Ų | 14 | 67.3 Ų | 67.3 | 7% | 0.072 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 143.8 | 170.6 | 50.3 | 167.5 | 0 | 0 | 0 | 110.3 | F45 F54 Q55 I57 M65 I75 | F45-I47 HydrophobicContact CD2-CG2 3.71Å; F45-I47 HydrophobicContact CE2-CB 4.27Å; F45-I47 HydrophobicContact CE2-CG1 4.2Å; F45-I47 HydrophobicContact CE2-CG2 3.35Å; F45-I47 HydrophobicContact CZ-CG2 4.48Å; I47-F54 WeakPolarHBondContact O-CA 3.43Å; I47-Q55 HydrophobicContact CG1-CB 4.09Å; I47-Q55 PolarHBondContact N-O 3.33Å; I47-Q55 PolarHBondContact O-N 3.36Å; I47-I57 HydrophobicContact CD1-CD1 4.35Å; I47-M65 HydrophobicContact CB-CE 4.08Å; I47-M65 HydrophobicContact CD1-CE 3.8Å; I47-M65 HydrophobicContact CG2-CE 3.49Å; I47-M65 VanDerWaalsContact CG2-CE 3.49Å; I47-M65 HydrophobicContact CG2-SD 3.92Å; I47-I75 HydrophobicContact CG2-CG1 4.11Å |
| 48 | R | 81.4 | Confident | 82.7 | Confident | 144 Ų | 144 | 71.9 Ų | 71.9 | 54% | 0.543 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 119.1 | 168.6 | -172.5 | 177 | 177.4 | -166.5 | -3.8 | 108.7 | Q53 F54 Y76 | R48-Q53 WeakPolarHBondContact CA-O 3.35Å; R48-F54 HydrophobicContact CB-CD1 4.22Å; R48-F54 HydrophobicContact CB-CE1 4.06Å; R48-F54 HydrophobicContact CG-CE1 4.24Å; R48-Y76 HydrophobicContact CB-CE2 4.43Å |
| 49 | R | 78.5 | Confident | 82.8 | Confident | 109 Ų | 109 | 69.7 Ų | 69.7 | 41% | 0.411 | 38% | 0.381 | S | S | . | . | trans | -73.5 | 165.3 | 172.4 | -70.9 | -162.3 | -61.3 | -178.6 | -6.3 | 110.8 | D51 G52 Q53 | R49-D51 WeakPolarHBondContact CB-OD1 3.49Å; R49-D51 IonicContact CZ-OD2 3.51Å; R49-D51 IonicContact NE-OD1 3.71Å; R49-D51 IonicContact NE-OD2 3.58Å; R49-D51 IonicContact NH2-OD2 3.36Å; R49-D51 PolarHBondContact NH2-OD2 3.44Å; R49-D51 PolarHBondContact O-N 3.29Å; R49-G52 WeakPolarHBondContact O-CA 3.42Å; R49-G52 PolarHBondContact O-N 2.9Å; R49-Q53 PolarHBondContact N-O 3.44Å | ||
| 50 | E | 73.2 | Confident | 83 | Confident | 211 Ų | 211 | 74.6 Ų | 74.6 | 99% | 0.986 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -26.1 | 179.7 | 65.3 | -170.3 | 178.5 | 0 | 0 | 113.7 | G52 | E50-G52 PolarHBondContact O-N 3.41Š|
| 51 | D | 80.9 | Confident | 83.1 | Confident | 88 Ų | 88 | 74 Ų | 74 | 47% | 0.471 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -1.8 | 172.2 | 65.4 | -1.4 | 0 | 0 | 0 | 113.2 | R49 Q53 | R49-D51 WeakPolarHBondContact CB-OD1 3.49Å; R49-D51 IonicContact CZ-OD2 3.51Å; R49-D51 IonicContact NE-OD1 3.71Å; R49-D51 IonicContact NE-OD2 3.58Å; R49-D51 IonicContact NH2-OD2 3.36Å; R49-D51 PolarHBondContact NH2-OD2 3.44Å; R49-D51 PolarHBondContact O-N 3.29Å; D51-Q53 VanDerWaalsContact C-N 3.3Å; D51-Q53 PolarHBondContact O-N 2.98Å; D51-Q53 WeakPolarHBondContact OD1-CB 3.37Å; D51-Q53 PolarHBondContact OD1-N 2.86Å |
| 52 | G | 79.6 | Confident | 83.3 | Confident | 26 Ų | 26 | 72.8 Ų | 72.8 | 27% | 0.268 | 40% | 0.4 | S | S | . | . | S | Bend | trans | 82.9 | -3.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R49 E50 | R49-G52 WeakPolarHBondContact O-CA 3.42Å; R49-G52 PolarHBondContact O-N 2.9Å; E50-G52 PolarHBondContact O-N 3.41Å |
| 53 | Q | 80.9 | Confident | 83.5 | Confident | 111 Ų | 111 | 70.3 Ų | 70.3 | 52% | 0.519 | 37% | 0.37 | S | S | . | . | trans | -75.8 | 152 | 176.7 | -66.9 | -171 | 19.8 | 0 | 0 | 112 | R48 R49 D51 | R48-Q53 WeakPolarHBondContact CA-O 3.35Å; R49-Q53 PolarHBondContact N-O 3.44Å; D51-Q53 VanDerWaalsContact C-N 3.3Å; D51-Q53 PolarHBondContact O-N 2.98Å; D51-Q53 WeakPolarHBondContact OD1-CB 3.37Å; D51-Q53 PolarHBondContact OD1-N 2.86Å | ||
| 54 | F | 83.8 | Confident | 83.6 | Confident | 131 Ų | 131 | 73.5 Ų | 73.5 | 58% | 0.575 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 131.8 | 174.9 | -66.4 | -80.2 | 0 | 0 | 0 | 110.3 | T46 I47 R48 Y76 | T46-F54 HydrophobicContact CG2-CB 3.67Å; T46-F54 HydrophobicContact CG2-CD1 3.78Å; T46-F54 HydrophobicContact CG2-CG 4.16Å; I47-F54 WeakPolarHBondContact O-CA 3.43Å; R48-F54 HydrophobicContact CB-CD1 4.22Å; R48-F54 HydrophobicContact CB-CE1 4.06Å; R48-F54 HydrophobicContact CG-CE1 4.24Å; F54-Y76 HydrophobicContact CE1-CD2 4.14Å; F54-Y76 AromaticContact CE1-CE2 3.97Å; F54-Y76 HydrophobicContact CE1-CE2 3.97Å |
| 55 | Q | 84.5 | Confident | 83.5 | Confident | 87 Ų | 87 | 73.3 Ų | 73.3 | 41% | 0.407 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 117.8 | 172.3 | 177.5 | 173 | 55.5 | 0 | 0 | 108.8 | T46 I47 I57 | T46-Q55 WeakPolarHBondContact CA-O 3.45Å; I47-Q55 HydrophobicContact CG1-CB 4.09Å; I47-Q55 PolarHBondContact N-O 3.33Å; I47-Q55 PolarHBondContact O-N 3.36Å; Q55-I57 HydrophobicContact CG-CG1 4.19Å |
| 56 | C | 88.1 | Confident | 83 | Confident | 94 Ų | 94 | 78.7 Ų | 78.7 | 64% | 0.635 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 136.4 | 170.6 | 61.4 | 0 | 0 | 0 | 0 | 109.9 | F45 | F45-C56 CarbonylContact O-C 3.49Å; F45-C56 WeakPolarHBondContact O-CA 3.33Å |
| 57 | I | 86.1 | Confident | 82.3 | Confident | 27 Ų | 27 | 76.8 Ų | 76.8 | 14% | 0.138 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 119.7 | 175.7 | -56.3 | -164 | 0 | 0 | 0 | 107.9 | V39 A44 F45 I47 Q55 A61 V63 | V39-I57 HydrophobicContact CG2-CG2 4.21Å; A44-I57 CarbonylContact C-O 3.53Å; A44-I57 WeakPolarHBondContact CA-O 3.5Å; A44-I57 WeakPolarHBondContact CB-O 3.49Å; F45-I57 HydrophobicContact CE1-CB 4.16Å; F45-I57 HydrophobicContact CE1-CG2 4.36Å; F45-I57 HydrophobicContact CE2-CB 4.16Å; F45-I57 HydrophobicContact CE2-CD1 4.05Å; F45-I57 HydrophobicContact CE2-CG1 4.15Å; F45-I57 HydrophobicContact CZ-CB 3.96Å; F45-I57 HydrophobicContact CZ-CD1 3.87Å; F45-I57 HydrophobicContact CZ-CG1 4.2Å; F45-I57 HydrophobicContact CZ-CG2 4.38Å; F45-I57 PolarHBondContact N-O 2.91Å; F45-I57 PolarHBondContact O-N 3.27Å; I47-I57 HydrophobicContact CD1-CD1 4.35Å; Q55-I57 HydrophobicContact CG-CG1 4.19Å; I57-A61 HydrophobicContact CG2-CB 4.1Å; I57-V63 HydrophobicContact CD1-CB 4.38Å; I57-V63 HydrophobicContact CD1-CG1 3.88Å; I57-V63 HydrophobicContact CD1-CG2 3.65Å; I57-V63 HydrophobicContact CG2-CG2 3.78Å |
| 58 | T | 87.3 | Confident | 81.3 | Confident | 96 Ų | 96 | 80 Ų | 80 | 59% | 0.589 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 135.7 | 179.6 | -51.3 | 0 | 0 | 0 | 0 | 109.4 | ||
| 59 | G | 87.9 | Confident | 80.8 | Confident | 13 Ų | 13 | 79.7 Ų | 79.7 | 13% | 0.134 | 43% | 0.433 | C | S | . | . | B | Isolated β-bridge | trans | -81.4 | 169 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | N40 E43 | N40-G59 WeakPolarHBondContact O-CA 3.32Å; E43-G59 PolarHBondContact O-N 2.88Å |
| 60 | P | 88.3 | Confident | 80.1 | Confident | 105 Ų | 105 | 74.7 Ų | 74.7 | 68% | 0.682 | 42% | 0.415 | S | S | * | . | S | Bend | cis | -76.2 | 122.3 | 2.7 | 27.8 | -31.5 | 0 | 0 | 0 | 112.8 | V39 P41 | V39-P60 VanDerWaalsContact O-CA 3.31Å; V39-P60 WeakPolarHBondContact O-CA 3.41Å; P41-P60 HydrophobicContact CG-CB 3.96Å; P41-P60 HydrophobicContact CG-CG 4.23Å |
| 61 | A | 84.7 | Confident | 79.8 | Confident | 31 Ų | 31 | 67.6 Ų | 67.6 | 26% | 0.256 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 147.8 | -178 | 0 | 0 | 0 | 0 | 0 | 111.8 | V39 I57 | V39-A61 HydrophobicContact CB-CB 4.32Å; V39-A61 HydrophobicContact CG2-CB 4.21Å; V39-A61 PolarHBondContact N-O 3.3Å; V39-A61 PolarHBondContact O-N 2.82Å; I57-A61 HydrophobicContact CG2-CB 4.1Å |
| 62 | Q | 85.1 | Confident | 79.1 | Confident | 75 Ų | 75 | 65.5 Ų | 65.5 | 35% | 0.35 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 117 | 168.1 | -168.4 | 177.2 | 23.7 | 0 | 0 | 108.8 | L36 V37 | L36-Q62 HydrophobicContact CD2-CG 3.92Å; V37-Q62 CarbonylContact O-C 3.57Å; V37-Q62 WeakPolarHBondContact O-CA 3.31Å |
| 63 | V | 84.6 | Confident | 78.6 | Confident | 23 Ų | 23 | 65.5 Ų | 65.5 | 14% | 0.139 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 110.8 | -172.3 | -173.7 | 0 | 0 | 0 | 0 | 109 | V37 F45 I57 M65 | V37-V63 HydrophobicContact CB-CB 4.38Å; V37-V63 PolarHBondContact N-O 3.26Å; V37-V63 PolarHBondContact O-N 3.25Å; F45-V63 HydrophobicContact CE1-CG2 4.21Å; F45-V63 HydrophobicContact CZ-CB 4.16Å; F45-V63 HydrophobicContact CZ-CG1 4.48Å; F45-V63 HydrophobicContact CZ-CG2 3.9Å; I57-V63 HydrophobicContact CD1-CB 4.38Å; I57-V63 HydrophobicContact CD1-CG1 3.88Å; I57-V63 HydrophobicContact CD1-CG2 3.65Å; I57-V63 HydrophobicContact CG2-CG2 3.78Å; V63-M65 HydrophobicContact CG1-CG 4.04Å; V63-M65 PolarHBondContact O-N 3.45Å |
| 64 | P | 83.9 | Confident | 78.4 | Confident | 89 Ų | 89 | 64.1 Ų | 64.1 | 58% | 0.578 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 128.2 | 168.6 | 30.4 | -32 | 0 | 0 | 0 | 108.8 | V34 I35 | V34-P64 HydrophobicContact CG1-CB 4.1Å; I35-P64 CarbonylContact O-C 3.13Å; I35-P64 WeakPolarHBondContact O-CA 3.38Å |
| 65 | M | 79.4 | Confident | 78.1 | Confident | 25 Ų | 25 | 59 Ų | 59 | 12% | 0.123 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 135 | 176.3 | -62.9 | -165.6 | 75 | 0 | 0 | 109.2 | I35 V37 I47 V63 P73 | I35-M65 PolarHBondContact N-O 2.97Å; I35-M65 PolarHBondContact O-N 3.35Å; V37-M65 HydrophobicContact CG2-CG 4.07Å; V37-M65 HydrophobicContact CG2-SD 3.63Å; I47-M65 HydrophobicContact CB-CE 4.08Å; I47-M65 HydrophobicContact CD1-CE 3.8Å; I47-M65 HydrophobicContact CG2-CE 3.49Å; I47-M65 VanDerWaalsContact CG2-CE 3.49Å; I47-M65 HydrophobicContact CG2-SD 3.92Å; V63-M65 HydrophobicContact CG1-CG 4.04Å; V63-M65 PolarHBondContact O-N 3.45Å; M65-P73 HydrophobicContact CB-CG 4.18Å; M65-P73 HydrophobicContact CE-CB 3.71Å; M65-P73 HydrophobicContact CE-CG 3.22Å; M65-P73 HydrophobicContact CG-CG 4.45Å; M65-P73 HydrophobicContact SD-CB 4.47Å; M65-P73 HydrophobicContact SD-CG 3.4Å; M65-P73 WeakPolarHBondContact SD-CG 3.47Å |
| 66 | M | 74.6 | Confident | 78 | Confident | 113 Ų | 113 | 60.5 Ų | 60.5 | 56% | 0.557 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 123.9 | 173.2 | -160.3 | 62 | 66.5 | 0 | 0 | 109 | Q32 V34 | Q32-M66 HydrophobicContact CB-SD 4.27Å; V34-M66 HydrophobicContact CG2-CE 3.9Å; V34-M66 HydrophobicContact CG2-SD 3.94Å |
| 67 | S | 69.7 | Low | 77.6 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.007 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 113.1 | 172.5 | -176.9 | 0 | 0 | 0 | 0 | 109.5 | Q32 Q33 I35 N69 G70 S71 | Q32-S67 WeakPolarHBondContact CA-O 3.36Å; Q33-S67 PolarHBondContact N-O 2.85Å; Q33-S67 WeakPolarHBondContact O-CA 3.32Å; Q33-S67 WeakPolarHBondContact O-CB 3.45Å; Q33-S67 PolarHBondContact O-N 2.87Å; I35-S67 VanDerWaalsContact CD1-CB 3.5Å; S67-N69 PolarHBondContact O-N 3.14Å; S67-G70 WeakPolarHBondContact OG-CA 3.38Å; S67-G70 PolarHBondContact OG-N 3.19Å; S67-S71 WeakPolarHBondContact CB-O 3.39Å; S67-S71 PolarHBondContact OG-N 3.3Å; S67-S71 PolarHBondContact OG-O 3.27Å |
| 68 | P | 65.8 | Low | 77.2 | Confident | 82 Ų | 82 | 59.1 Ų | 59.1 | 53% | 0.532 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -11.9 | 179.8 | 26.2 | -32.4 | 0 | 0 | 0 | 114 | T31 | T31-P68 CarbonylContact C-O 3.54Å; T31-P68 CarbonylContact O-C 3.52Å |
| 69 | N | 70.1 | Confident | 76.7 | Confident | 136 Ų | 136 | 60.9 Ų | 60.9 | 73% | 0.727 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.3 | 11.1 | -178.1 | -66.7 | -34.4 | 0 | 0 | 0 | 113.4 | T31 S67 S71 | T31-N69 PolarHBondContact O-N 2.88Å; S67-N69 PolarHBondContact O-N 3.14Å; N69-S71 PolarHBondContact O-N 2.96Å |
| 70 | G | 64.2 | Low | 76.2 | Confident | 4 Ų | 4 | 62.4 Ų | 62.4 | 4% | 0.041 | 38% | 0.376 | C | S | . | . | S | Bend | trans | 70.1 | 1.1 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | S67 R92 | S67-G70 WeakPolarHBondContact OG-CA 3.38Å; S67-G70 PolarHBondContact OG-N 3.19Å; G70-R92 PolarHBondContact O-NH1 2.61Å |
| 71 | S | 67.2 | Low | 75.7 | Confident | 63 Ų | 63 | 61.2 Ų | 61.2 | 44% | 0.441 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -77.1 | 141.9 | 171.8 | 62.1 | 0 | 0 | 0 | 0 | 111.7 | I35 S67 N69 | I35-S71 WeakPolarHBondContact CD1-O 3.33Å; S67-S71 WeakPolarHBondContact CB-O 3.39Å; S67-S71 PolarHBondContact OG-N 3.3Å; S67-S71 PolarHBondContact OG-O 3.27Å; N69-S71 PolarHBondContact O-N 2.96Å |
| 72 | V | 65.7 | Low | 75.5 | Confident | 44 Ų | 44 | 61.4 Ų | 61.4 | 27% | 0.267 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 129.1 | 171.7 | 174.8 | 0 | 0 | 0 | 0 | 109 | I35 I75 V85 V94 | I35-V72 HydrophobicContact CD1-CG2 4.13Å; V72-I75 HydrophobicContact CG1-CD1 3.78Å; V72-V85 HydrophobicContact CG2-CG1 3.91Å; V72-V85 HydrophobicContact CG2-CG2 3.95Å; V72-V94 HydrophobicContact CB-CG2 4.49Å; V72-V94 HydrophobicContact CG1-CG2 3.56Å; V72-V94 HydrophobicContact CG2-CG2 4.04Å |
| 73 | P | 69.9 | Low | 75.3 | Confident | 25 Ų | 25 | 60.7 Ų | 60.7 | 16% | 0.162 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 153.4 | 176.7 | 22.8 | -31.3 | 0 | 0 | 0 | 110.6 | M65 I75 | M65-P73 HydrophobicContact CB-CG 4.18Å; M65-P73 HydrophobicContact CE-CB 3.71Å; M65-P73 HydrophobicContact CE-CG 3.22Å; M65-P73 HydrophobicContact CG-CG 4.45Å; M65-P73 HydrophobicContact SD-CB 4.47Å; M65-P73 HydrophobicContact SD-CG 3.4Å; M65-P73 WeakPolarHBondContact SD-CG 3.47Å; P73-I75 WeakPolarHBondContact O-CG1 3.29Å; P73-I75 PolarHBondContact O-N 3.23Å |
| 74 | P | 76.1 | Confident | 75.1 | Confident | 82 Ų | 82 | 64.8 Ų | 64.8 | 53% | 0.532 | 38% | 0.379 | S | S | . | . | trans | -62.4 | 112.1 | 178.6 | 24.5 | -32 | 0 | 0 | 0 | 110 | Y76 | P74-Y76 HydrophobicContact CB-CE2 4.44Š| ||
| 75 | I | 77.9 | Confident | 74.8 | Confident | 24 Ų | 24 | 64.2 Ų | 64.2 | 12% | 0.123 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 120.7 | 179.2 | -66.7 | 160.6 | 0 | 0 | 0 | 107.8 | V37 F45 I47 V72 P73 V77 V94 | V37-I75 HydrophobicContact CG1-CD1 4.48Å; V37-I75 HydrophobicContact CG2-CD1 4.15Å; F45-I75 HydrophobicContact CB-CG2 3.63Å; F45-I75 HydrophobicContact CD2-CG2 3.99Å; F45-I75 HydrophobicContact CG-CG2 3.96Å; I47-I75 HydrophobicContact CG2-CG1 4.11Å; V72-I75 HydrophobicContact CG1-CD1 3.78Å; P73-I75 WeakPolarHBondContact O-CG1 3.29Å; P73-I75 PolarHBondContact O-N 3.23Å; I75-V77 HydrophobicContact CG2-CG1 4.14Å; I75-V94 HydrophobicContact CD1-CB 3.98Å; I75-V94 HydrophobicContact CD1-CG1 3.67Å; I75-V94 HydrophobicContact CD1-CG2 3.99Å |
| 76 | Y | 81.4 | Confident | 74.9 | Confident | 119 Ų | 119 | 66.4 Ų | 66.4 | 47% | 0.467 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 127.2 | 173.4 | -61.7 | -87.1 | 0 | 0 | 0 | 108.8 | T46 R48 F54 P74 | T46-Y76 PolarHBondContact N-O 3.26Å; T46-Y76 PolarHBondContact O-N 3.32Å; R48-Y76 HydrophobicContact CB-CE2 4.43Å; F54-Y76 HydrophobicContact CE1-CD2 4.14Å; F54-Y76 AromaticContact CE1-CE2 3.97Å; F54-Y76 HydrophobicContact CE1-CE2 3.97Å; P74-Y76 HydrophobicContact CB-CE2 4.44Å |
| 77 | V | 80.8 | Confident | 75.2 | Confident | 39 Ų | 39 | 66.9 Ų | 66.9 | 24% | 0.236 | 39% | 0.386 | C | S | . | . | trans | -111.1 | 154.4 | 179.5 | -64.8 | 0 | 0 | 0 | 0 | 110 | I75 Y81 P83 V96 | I75-V77 HydrophobicContact CG2-CG1 4.14Å; V77-Y81 WeakPolarHBondContact CG2-O 3.39Å; V77-P83 HydrophobicContact CG1-CB 4.15Å; V77-P83 HydrophobicContact CG1-CG 4.32Å; V77-V96 HydrophobicContact CB-CG1 4.27Å; V77-V96 HydrophobicContact CG1-CB 4.5Å; V77-V96 HydrophobicContact CG1-CG1 3.85Å; V77-V96 HydrophobicContact CG1-CG2 3.9Å | ||
| 78 | P | 76.8 | Confident | 75.2 | Confident | 53 Ų | 53 | 69.9 Ų | 69.9 | 34% | 0.344 | 40% | 0.402 | S | S | . | . | trans | -58.2 | 155.6 | 174.7 | -23.8 | 34.2 | 0 | 0 | 0 | 112.6 | A44 G80 Y81 | A44-P78 VanDerWaalsContact O-CD 3.29Å; A44-P78 WeakPolarHBondContact O-CD 3.39Å; P78-G80 PolarHBondContact O-N 3.42Å; P78-Y81 HydrophobicContact CB-CD2 4.13Å; P78-Y81 PolarHBondContact O-N 2.67Å; P78-Y81 VanDerWaalsContact O-N 3.09Å | ||
| 79 | P | 77.3 | Confident | 75.1 | Confident | 132 Ų | 132 | 72.8 Ų | 72.8 | 86% | 0.857 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 131.8 | 173.5 | -25 | 34.4 | 0 | 0 | 0 | 111.8 | ||
| 80 | G | 77.1 | Confident | 74.8 | Confident | 45 Ų | 45 | 68.6 Ų | 68.6 | 46% | 0.464 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | 7.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | P78 P98 Q99 | P78-G80 PolarHBondContact O-N 3.42Å; G80-P98 CarbonylContact O-C 3.54Å; G80-Q99 PolarHBondContact O-N 3.07Å |
| 81 | Y | 78.1 | Confident | 74.8 | Confident | 81 Ų | 81 | 69.3 Ų | 69.3 | 32% | 0.318 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 154 | 172.2 | -69.2 | -102.5 | 0 | 0 | 0 | 110.1 | E43 V77 P78 V96 V97 P98 | E43-Y81 HydrophobicContact CG-CE1 4.22Å; V77-Y81 WeakPolarHBondContact CG2-O 3.39Å; P78-Y81 HydrophobicContact CB-CD2 4.13Å; P78-Y81 PolarHBondContact O-N 2.67Å; P78-Y81 VanDerWaalsContact O-N 3.09Å; Y81-V96 HydrophobicContact CD1-CG1 3.8Å; Y81-V96 HydrophobicContact CG-CG1 4.17Å; Y81-V97 CarbonylContact C-O 3.58Å; Y81-V97 WeakPolarHBondContact CA-O 3.16Å; Y81-P98 HydrophobicContact CD1-CB 4.26Å; Y81-P98 HydrophobicContact CD1-CG 4.11Å; Y81-P98 HydrophobicContact CE1-CB 4.01Å; Y81-P98 HydrophobicContact CE1-CG 3.59Å |
| 82 | A | 80.3 | Confident | 75.1 | Confident | 35 Ų | 35 | 70.5 Ų | 70.5 | 29% | 0.289 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 139.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | V97 Q99 | A82-V97 PolarHBondContact N-O 3.41Å; A82-V97 PolarHBondContact O-N 3.32Å; A82-Q99 HydrophobicContact CB-CB 4.47Å |
| 83 | P | 81.4 | Confident | 75.6 | Confident | 60 Ų | 60 | 71.5 Ų | 71.5 | 39% | 0.39 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 121.9 | 172.2 | 31.3 | -30.5 | 0 | 0 | 0 | 109.9 | V77 V94 | V77-P83 HydrophobicContact CG1-CB 4.15Å; V77-P83 HydrophobicContact CG1-CG 4.32Å; P83-V94 HydrophobicContact CB-CG1 3.94Å |
| 84 | Q | 79.2 | Confident | 76 | Confident | 109 Ų | 109 | 70.3 Ų | 70.3 | 51% | 0.509 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 128.6 | 172.7 | -171.4 | 175.6 | 31.1 | 0 | 0 | 110.2 | I86 V94 V95 V97 | Q84-I86 HydrophobicContact CG-CG1 4.34Å; Q84-V94 CarbonylContact O-C 3.57Å; Q84-V94 VanDerWaalsContact O-CA 3.31Å; Q84-V94 WeakPolarHBondContact O-CA 3.19Å; Q84-V95 PolarHBondContact N-O 2.88Å; Q84-V95 PolarHBondContact O-N 2.89Å; Q84-V97 HydrophobicContact CB-CG2 4.43Å |
| 85 | V | 79.1 | Confident | 76.1 | Confident | 77 Ų | 77 | 67.4 Ų | 67.4 | 47% | 0.467 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 122.7 | 175.7 | -171.1 | 0 | 0 | 0 | 0 | 109.2 | V72 R92 R93 V94 | V72-V85 HydrophobicContact CG2-CG1 3.91Å; V72-V85 HydrophobicContact CG2-CG2 3.95Å; V85-R92 HydrophobicContact CG1-CB 4.41Å; V85-R93 CarbonylContact C-O 3.52Å; V85-R93 WeakPolarHBondContact CA-O 3.31Å; V85-V94 HydrophobicContact CG2-CG2 4.26Å |
| 86 | I | 80.3 | Confident | 76.3 | Confident | 71 Ų | 71 | 66.3 Ų | 66.3 | 36% | 0.364 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 119.6 | 179.4 | -55.5 | 174.6 | 0 | 0 | 0 | 107.8 | Q84 R93 V95 | Q84-I86 HydrophobicContact CG-CG1 4.34Å; I86-R93 HydrophobicContact CB-CB 4.41Å; I86-R93 PolarHBondContact N-O 2.96Å; I86-R93 PolarHBondContact O-N 3.15Å; I86-V95 HydrophobicContact CD1-CB 4.44Å; I86-V95 HydrophobicContact CD1-CG2 3.74Å |
| 87 | E | 80.1 | Confident | 76.2 | Confident | 122 Ų | 122 | 63.2 Ų | 63.2 | 57% | 0.57 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 112.3 | 174.4 | -167 | 167.8 | 147.3 | 0 | 0 | 109.3 | V91 R92 | E87-V91 WeakPolarHBondContact CA-O 3.13Å; E87-R92 HydrophobicContact CB-CG 4.36Å; E87-R92 HydrophobicContact CG-CG 4.08Å; E87-R92 IonicContact OE2-CZ 3.55Å; E87-R92 IonicContact OE2-NE 2.98Å; E87-R92 PolarHBondContact OE2-NE 3.45Å; E87-R92 IonicContact OE2-NH2 3.19Å; E87-R92 PolarHBondContact OE2-NH2 2.61Å |
| 88 | D | 70.4 | Confident | 76 | Confident | 64 Ų | 64 | 64.7 Ų | 64.7 | 34% | 0.342 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 123.1 | 179.5 | 173.7 | 45.1 | 0 | 0 | 0 | 109.5 | G90 V91 R93 | D88-G90 PolarHBondContact O-N 2.77Å; D88-G90 VanDerWaalsContact O-N 3.17Å; D88-V91 PolarHBondContact N-O 2.85Å; D88-V91 WeakPolarHBondContact O-CA 3.32Å; D88-V91 VanDerWaalsContact O-CB 3.31Å; D88-V91 WeakPolarHBondContact O-CB 3.37Å; D88-V91 PolarHBondContact O-N 3.09Å; D88-R93 IonicContact OD2-CZ 3.93Å; D88-R93 IonicContact OD2-NH1 2.76Å; D88-R93 PolarHBondContact OD2-NH1 3.02Å |
| 89 | N | 63.4 | Low | 75.6 | Confident | 144 Ų | 144 | 66.3 Ų | 66.3 | 77% | 0.77 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 33.9 | 179.9 | -59.9 | -57.1 | 0 | 0 | 0 | 114.7 | V91 | N89-V91 VanDerWaalsContact C-N 3.25Å; N89-V91 PolarHBondContact O-N 3.02Å |
| 90 | G | 64.1 | Low | 75 | Confident | 48 Ų | 48 | 63.5 Ų | 63.5 | 50% | 0.495 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 6.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | D88 | D88-G90 PolarHBondContact O-N 2.77Å; D88-G90 VanDerWaalsContact O-N 3.17Å |
| 91 | V | 63.8 | Low | 74.1 | Confident | 18 Ų | 18 | 67.2 Ų | 67.2 | 11% | 0.109 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 119.2 | 173.3 | 180 | 0 | 0 | 0 | 0 | 109.1 | P24 L36 E87 D88 N89 R93 | P24-V91 HydrophobicContact CG-CG2 4.4Å; L36-V91 HydrophobicContact CB-CG1 4.22Å; L36-V91 HydrophobicContact CD1-CG1 3.61Å; E87-V91 WeakPolarHBondContact CA-O 3.13Å; D88-V91 PolarHBondContact N-O 2.85Å; D88-V91 WeakPolarHBondContact O-CA 3.32Å; D88-V91 VanDerWaalsContact O-CB 3.31Å; D88-V91 WeakPolarHBondContact O-CB 3.37Å; D88-V91 PolarHBondContact O-N 3.09Å; N89-V91 VanDerWaalsContact C-N 3.25Å; N89-V91 PolarHBondContact O-N 3.02Å; V91-R93 HydrophobicContact CG1-CG 4.2Å; V91-R93 PolarHBondContact O-N 3.15Å |
| 92 | R | 73.8 | Confident | 73.1 | Confident | 89 Ų | 89 | 68.8 Ų | 68.8 | 34% | 0.336 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 114.5 | 169.9 | -71.1 | 177.6 | 176.1 | -173.2 | -3.8 | 109.2 | I35 L36 G70 V85 E87 | I35-R92 HydrophobicContact CG2-CB 4.22Å; I35-R92 VanDerWaalsContact CG2-O 3.25Å; I35-R92 WeakPolarHBondContact CG2-O 3.45Å; L36-R92 PolarHBondContact N-O 2.93Å; G70-R92 PolarHBondContact O-NH1 2.61Å; V85-R92 HydrophobicContact CG1-CB 4.41Å; E87-R92 HydrophobicContact CB-CG 4.36Å; E87-R92 HydrophobicContact CG-CG 4.08Å; E87-R92 IonicContact OE2-CZ 3.55Å; E87-R92 IonicContact OE2-NE 2.98Å; E87-R92 PolarHBondContact OE2-NE 3.45Å; E87-R92 IonicContact OE2-NH2 3.19Å; E87-R92 PolarHBondContact OE2-NH2 2.61Å |
| 93 | R | 76.1 | Confident | 71.4 | Confident | 64 Ų | 64 | 76.4 Ų | 76.4 | 24% | 0.242 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 138.1 | 170.9 | -64.7 | -172.3 | 169.1 | 102.6 | -4.6 | 109.5 | L36 V85 I86 D88 V91 | L36-R93 VanDerWaalsContact O-CA 3.26Å; L36-R93 WeakPolarHBondContact O-CA 3.46Å; V85-R93 CarbonylContact C-O 3.52Å; V85-R93 WeakPolarHBondContact CA-O 3.31Å; I86-R93 HydrophobicContact CB-CB 4.41Å; I86-R93 PolarHBondContact N-O 2.96Å; I86-R93 PolarHBondContact O-N 3.15Å; D88-R93 IonicContact OD2-CZ 3.93Å; D88-R93 IonicContact OD2-NH1 2.76Å; D88-R93 PolarHBondContact OD2-NH1 3.02Å; V91-R93 HydrophobicContact CG1-CG 4.2Å; V91-R93 PolarHBondContact O-N 3.15Å |
| 94 | V | 77.7 | Confident | 69.5 | Low | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 126.1 | 169.3 | -171.5 | 0 | 0 | 0 | 0 | 107.6 | I35 V37 Q38 V72 I75 P83 Q84 V85 | I35-V94 HydrophobicContact CG2-CG2 4.46Å; V37-V94 HydrophobicContact CB-CB 4.47Å; V37-V94 HydrophobicContact CG1-CB 4.04Å; V37-V94 HydrophobicContact CG2-CB 4.11Å; V37-V94 HydrophobicContact CG2-CG2 4.13Å; Q38-V94 PolarHBondContact N-O 3.06Å; V72-V94 HydrophobicContact CB-CG2 4.49Å; V72-V94 HydrophobicContact CG1-CG2 3.56Å; V72-V94 HydrophobicContact CG2-CG2 4.04Å; I75-V94 HydrophobicContact CD1-CB 3.98Å; I75-V94 HydrophobicContact CD1-CG1 3.67Å; I75-V94 HydrophobicContact CD1-CG2 3.99Å; P83-V94 HydrophobicContact CB-CG1 3.94Å; Q84-V94 CarbonylContact O-C 3.57Å; Q84-V94 VanDerWaalsContact O-CA 3.31Å; Q84-V94 WeakPolarHBondContact O-CA 3.19Å; V85-V94 HydrophobicContact CG2-CG2 4.26Å |
| 95 | V | 79.8 | Confident | 67.9 | Low | 21 Ų | 21 | 79.8 Ų | 79.8 | 13% | 0.127 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 130.9 | 179 | -175.8 | 0 | 0 | 0 | 0 | 107.3 | Q84 I86 V97 | Q84-V95 PolarHBondContact N-O 2.88Å; Q84-V95 PolarHBondContact O-N 2.89Å; I86-V95 HydrophobicContact CD1-CB 4.44Å; I86-V95 HydrophobicContact CD1-CG2 3.74Å; V95-V97 HydrophobicContact CB-CG2 4.46Å; V95-V97 HydrophobicContact CG1-CG2 3.91Å |
| 96 | V | 80.9 | Confident | 66.3 | Low | 1 Ų | 1 | 79.2 Ų | 79.2 | 1% | 0.006 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 130.3 | 171.1 | -176.7 | 0 | 0 | 0 | 0 | 106.8 | E43 F45 V77 Y81 | E43-V96 VanDerWaalsContact CD-O 3.24Å; E43-V96 VanDerWaalsContact OE1-O 3.09Å; F45-V96 HydrophobicContact CB-CG2 3.96Å; V77-V96 HydrophobicContact CB-CG1 4.27Å; V77-V96 HydrophobicContact CG1-CB 4.5Å; V77-V96 HydrophobicContact CG1-CG1 3.85Å; V77-V96 HydrophobicContact CG1-CG2 3.9Å; Y81-V96 HydrophobicContact CD1-CG1 3.8Å; Y81-V96 HydrophobicContact CG-CG1 4.17Å |
| 97 | V | 79.3 | Confident | 64.3 | Low | 54 Ų | 54 | 79.7 Ų | 79.7 | 33% | 0.327 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 138.9 | -179.6 | -176.2 | 0 | 0 | 0 | 0 | 108.4 | Y81 A82 Q84 V95 Q99 | Y81-V97 CarbonylContact C-O 3.58Å; Y81-V97 WeakPolarHBondContact CA-O 3.16Å; A82-V97 PolarHBondContact N-O 3.41Å; A82-V97 PolarHBondContact O-N 3.32Å; Q84-V97 HydrophobicContact CB-CG2 4.43Å; V95-V97 HydrophobicContact CB-CG2 4.46Å; V95-V97 HydrophobicContact CG1-CG2 3.91Å; V97-Q99 PolarHBondContact O-N 3.33Å; V97-Q99 VanDerWaalsContact O-N 3.16Å |
| 98 | P | 76.8 | Confident | 62.4 | Low | 71 Ų | 71 | 82 Ų | 82 | 46% | 0.461 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 120.6 | 169.4 | -17.1 | 25.9 | 0 | 0 | 0 | 109.4 | G80 Y81 A100 | G80-P98 CarbonylContact O-C 3.54Å; Y81-P98 HydrophobicContact CD1-CB 4.26Å; Y81-P98 HydrophobicContact CD1-CG 4.11Å; Y81-P98 HydrophobicContact CE1-CB 4.01Å; Y81-P98 HydrophobicContact CE1-CG 3.59Å; P98-A100 PolarHBondContact O-N 3.42Å |
| 99 | Q | 69.1 | Low | 60.7 | Low | 87 Ų | 87 | 84.5 Ų | 84.5 | 41% | 0.407 | 48% | 0.483 | S | S | . | . | trans | -73.8 | 115.9 | 167.1 | -163.8 | 178.2 | 10.6 | 0 | 0 | 105.8 | G80 A82 V97 E102 | G80-Q99 PolarHBondContact O-N 3.07Å; A82-Q99 HydrophobicContact CB-CB 4.47Å; V97-Q99 PolarHBondContact O-N 3.33Å; V97-Q99 VanDerWaalsContact O-N 3.16Å; Q99-E102 VanDerWaalsContact NE2-CD 3.28Å; Q99-E102 PolarHBondContact NE2-OE1 3Å; Q99-E102 PolarHBondContact NE2-OE2 3.24Å | ||
| 100 | A | 64.3 | Low | 59.7 | Low | 72 Ų | 72 | 84 Ų | 84 | 60% | 0.595 | 49% | 0.485 | S | S | * | . | trans | -51.4 | 144.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108 | P98 E102 | P98-A100 PolarHBondContact O-N 3.42Å; A100-E102 VanDerWaalsContact C-N 3.32Å; A100-E102 PolarHBondContact O-N 2.69Å | ||
| 101 | P | 59.2 | Low | 58.5 | Low | 123 Ų | 123 | 88.4 Ų | 88.4 | 80% | 0.799 | 50% | 0.497 | S | S | * | . | trans | -56 | 107.3 | 169.3 | -14.9 | 26.6 | 0 | 0 | 0 | 105.9 | F103 | P101-F103 PolarHBondContact O-N 3.41Š| ||
| 102 | E | 56.1 | Low | 57.4 | Low | 114 Ų | 114 | 96.5 Ų | 96.5 | 53% | 0.533 | 53% | 0.533 | S | S | . | . | trans | -65.6 | 91.2 | 170.9 | -74.1 | 162.3 | 173.6 | 0 | 0 | 104.6 | Q99 A100 H104 | Q99-E102 VanDerWaalsContact NE2-CD 3.28Å; Q99-E102 PolarHBondContact NE2-OE1 3Å; Q99-E102 PolarHBondContact NE2-OE2 3.24Å; A100-E102 VanDerWaalsContact C-N 3.32Å; A100-E102 PolarHBondContact O-N 2.69Å; E102-H104 WeakPolarHBondContact CB-CE1 3.11Å; E102-H104 WeakPolarHBondContact CB-ND1 3.08Å; E102-H104 PolarHBondContact O-N 2.87Å; E102-H104 PolarHBondContact O-ND1 2.8Å; E102-H104 IonicContact OE2-CE1 2.93Å; E102-H104 PolarHBondContact OE2-CE1 2.84Å; E102-H104 IonicContact OE2-NE2 3.57Å; E102-H104 PolarHBondContact OE2-NE2 2.72Å | ||
| 103 | F | 43.7 | Very low | 55.6 | Low | 196 Ų | 196 | 103.5 Ų | 103.5 | 86% | 0.86 | 56% | 0.559 | S | S | * | * | trans | -69.1 | 79.2 | 163.6 | -142.4 | -84.9 | 0 | 0 | 0 | 104.6 | P101 P105 | P101-F103 PolarHBondContact O-N 3.41Å; F103-P105 WeakPolarHBondContact O-CD 3.37Å | ||
| 104 | H | 42.4 | Very low | 53.6 | Low | 111 Ų | 111 | 104.2 Ų | 104.2 | 51% | 0.514 | 57% | 0.574 | S | S | . | * | trans | -67.7 | 110.9 | 172.7 | -58.1 | 90.2 | 0 | 0 | 0 | 106.4 | E102 G106 | E102-H104 WeakPolarHBondContact CB-CE1 3.11Å; E102-H104 WeakPolarHBondContact CB-ND1 3.08Å; E102-H104 PolarHBondContact O-N 2.87Å; E102-H104 PolarHBondContact O-ND1 2.8Å; E102-H104 IonicContact OE2-CE1 2.93Å; E102-H104 PolarHBondContact OE2-CE1 2.84Å; E102-H104 IonicContact OE2-NE2 3.57Å; E102-H104 PolarHBondContact OE2-NE2 2.72Å; H104-G106 PolarHBondContact O-N 2.77Å | ||
| 105 | P | 45.6 | Very low | 51.9 | Low | 129 Ų | 129 | 110.4 Ų | 110.4 | 84% | 0.838 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -74.5 | 84.4 | 160.2 | 32.5 | -24.4 | 0 | 0 | 0 | 105.5 | F103 | F103-P105 WeakPolarHBondContact O-CD 3.37Š|
| 106 | G | 45.8 | Very low | 50.1 | Low | 64 Ų | 64 | 117.3 Ų | 117.3 | 66% | 0.66 | 65% | 0.645 | S | S | * | * | S | Bend | trans | 80.4 | 97.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | H104 | H104-G106 PolarHBondContact O-N 2.77Š|
| 107 | S | 38 | Very low | 48.3 | Very low | 81 Ų | 81 | 122.5 Ų | 122.5 | 57% | 0.566 | 68% | 0.679 | S | S | * | * | trans | -163.1 | 100.2 | 145.3 | -81.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 108 | H | 39.8 | Very low | 46.7 | Very low | 170 Ų | 170 | 125.9 Ų | 125.9 | 79% | 0.787 | 70% | 0.702 | S | S | * | * | trans | 56.9 | 79.1 | 151.1 | -52 | -72.8 | 0 | 0 | 0 | 118 | V110 | H108-V110 PolarHBondContact O-N 3.34Š| ||
| 109 | T | 35.8 | Very low | 45.1 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 72% | 0.718 | 72% | 0.722 | S | S | * | * | trans | -58.5 | 104.1 | 141.4 | 54.5 | 0 | 0 | 0 | 0 | 108.6 | L111 | T109-L111 PolarHBondContact O-N 3.31Š| ||
| 110 | V | 41.2 | Very low | 44 | Very low | 134 Ų | 134 | 132.5 Ų | 132.5 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | trans | -73.9 | 75.3 | 155.7 | -178.8 | 0 | 0 | 0 | 0 | 106.1 | H108 H112 | H108-V110 PolarHBondContact O-N 3.34Å; V110-H112 PolarHBondContact O-N 2.98Å; V110-H112 VanDerWaalsContact O-N 3.1Å | ||
| 111 | L | 40 | Very low | 42.8 | Very low | 141 Ų | 141 | 132.7 Ų | 132.7 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | trans | -63.6 | 108.9 | 164.7 | -82.8 | 160.9 | 0 | 0 | 0 | 106.4 | T109 R113 | T109-L111 PolarHBondContact O-N 3.31Å; L111-R113 VanDerWaalsContact C-N 3.32Å; L111-R113 PolarHBondContact O-N 3.46Å | ||
| 112 | H | 41.3 | Very low | 41.9 | Very low | 187 Ų | 187 | 136.3 Ų | 136.3 | 87% | 0.866 | 75% | 0.754 | S | S | * | * | trans | -56.7 | 96 | 167.8 | -144.6 | -92.7 | 0 | 0 | 0 | 107.7 | V110 S114 | V110-H112 PolarHBondContact O-N 2.98Å; V110-H112 VanDerWaalsContact O-N 3.1Å; H112-S114 PolarHBondContact O-N 2.78Å | ||
| 113 | R | 35.8 | Very low | 41.2 | Very low | 237 Ų | 237 | 138.5 Ų | 138.5 | 89% | 0.894 | 77% | 0.768 | S | S | * | * | trans | -73.1 | 122.2 | -176.7 | -163.9 | -179.8 | -168.6 | -143.7 | 3 | 109.1 | L111 | L111-R113 VanDerWaalsContact C-N 3.32Å; L111-R113 PolarHBondContact O-N 3.46Å | ||
| 114 | S | 32.6 | Very low | 41.2 | Very low | 79 Ų | 79 | 134.3 Ų | 134.3 | 55% | 0.552 | 76% | 0.761 | S | S | * | * | trans | -56.8 | 146.8 | 170.2 | -42.1 | 0 | 0 | 0 | 0 | 111.3 | H112 H116 | H112-S114 PolarHBondContact O-N 2.78Å; S114-H116 PolarHBondContact O-N 3.16Å | ||
| 115 | P | 43 | Very low | 41.2 | Very low | 130 Ų | 130 | 135.3 Ų | 135.3 | 84% | 0.844 | 77% | 0.774 | S | S | * | * | trans | -79.2 | 109.4 | -175.9 | 30.9 | -30.3 | 0 | 0 | 0 | 110.2 | ||||
| 116 | H | 41.3 | Very low | 41.2 | Very low | 165 Ų | 165 | 134.3 Ų | 134.3 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | trans | -117.8 | 147.4 | 167.7 | -72.9 | -73.3 | 0 | 0 | 0 | 110 | S114 | S114-H116 PolarHBondContact O-N 3.16Š| ||
| 117 | P | 44.2 | Very low | 41.4 | Very low | 110 Ų | 110 | 137.6 Ų | 137.6 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | trans | -75.1 | 162.6 | -156.8 | 32.5 | -35.8 | 0 | 0 | 0 | 113 | ||||
| 118 | P | 45.3 | Very low | 42.1 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | trans | -80.2 | 138.3 | -173.6 | 33.2 | -31.7 | 0 | 0 | 0 | 111.1 | ||||
| 119 | L | 43.5 | Very low | 42.5 | Very low | 169 Ų | 169 | 141.9 Ų | 141.9 | 89% | 0.885 | 79% | 0.791 | S | S | * | * | trans | -107 | 142.3 | 158.8 | -70.8 | 178.6 | 0 | 0 | 0 | 109.3 | ||||
| 120 | P | 45.7 | Very low | 43.4 | Very low | 129 Ų | 129 | 141.6 Ų | 141.6 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | trans | -88.7 | 140.8 | -175.6 | 35.2 | -31.2 | 0 | 0 | 0 | 111.1 | ||||
| 121 | G | 37.7 | Very low | 43.7 | Very low | 75 Ų | 75 | 140.9 Ų | 140.9 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | 167.6 | 90.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 122 | F | 41 | Very low | 44.3 | Very low | 199 Ų | 199 | 139.6 Ų | 139.6 | 87% | 0.873 | 79% | 0.789 | S | S | * | * | trans | -55.5 | 145.6 | 170.7 | -74.3 | -104.2 | 0 | 0 | 0 | 113.2 | ||||
| 123 | I | 42.3 | Very low | 44.7 | Very low | 161 Ų | 161 | 136 Ų | 136 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | -156.4 | 124.5 | 115.7 | -57.7 | -160.1 | 0 | 0 | 0 | 108.8 | |||||
| 124 | P | 43.2 | Very low | 45.5 | Very low | 108 Ų | 108 | 136.7 Ų | 136.7 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -85 | 133.1 | 168.8 | 31.8 | -27.8 | 0 | 0 | 0 | 111.4 | ||
| 125 | V | 42.4 | Very low | 45.8 | Very low | 132 Ų | 132 | 141 Ų | 141 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 135 | 172 | -176.1 | 0 | 0 | 0 | 0 | 108.8 | ||
| 126 | P | 45.6 | Very low | 45.8 | Very low | 108 Ų | 108 | 143.3 Ų | 143.3 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 133.7 | -173.8 | 27.9 | -32 | 0 | 0 | 0 | 113.3 | ||
| 127 | T | 50.2 | Low | 45.6 | Very low | 133 Ų | 133 | 146.6 Ų | 146.6 | 82% | 0.816 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 125.2 | 168.6 | -53.2 | 0 | 0 | 0 | 0 | 111.3 | ||
| 128 | M | 53.2 | Low | 45.3 | Very low | 167 Ų | 167 | 146.6 Ų | 146.6 | 82% | 0.823 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 131.7 | 168.7 | -75 | -74.2 | 101.7 | 0 | 0 | 110.8 | ||
| 129 | M | 47.4 | Very low | 45.7 | Very low | 174 Ų | 174 | 146.1 Ų | 146.1 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 150 | -174.5 | -72.8 | 175.8 | 67.2 | 0 | 0 | 114.2 | ||
| 130 | P | 53.7 | Low | 45.5 | Very low | 110 Ų | 110 | 145 Ų | 145 | 71% | 0.714 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 152.4 | 164.3 | 32.1 | -31.6 | 0 | 0 | 0 | 111.9 | ||
| 131 | P | 49.4 | Very low | 45.1 | Very low | 120 Ų | 120 | 145.5 Ų | 145.5 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -73 | 149.8 | 177.9 | 29.6 | -33.3 | 0 | 0 | 0 | 112.3 | ||
| 132 | P | 51.9 | Low | 45 | Very low | 114 Ų | 114 | 145.2 Ų | 145.2 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 157.8 | -177.9 | 32.6 | -33.6 | 0 | 0 | 0 | 112.9 | ||
| 133 | P | 49.2 | Very low | 44.6 | Very low | 111 Ų | 111 | 141.1 Ų | 141.1 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 137.9 | -176.3 | 30.8 | -32.7 | 0 | 0 | 0 | 111.7 | ||
| 134 | R | 52.6 | Low | 44.3 | Very low | 251 Ų | 251 | 136.8 Ų | 136.8 | 95% | 0.947 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 124.1 | 171.9 | -68.2 | -127.3 | -164 | 179.6 | 6.4 | 110.4 | ||
| 135 | H | 39.5 | Very low | 44.1 | Very low | 171 Ų | 171 | 138.2 Ų | 138.2 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 144.7 | 178.1 | -70.5 | -94.1 | 0 | 0 | 0 | 112.6 | ||
| 136 | M | 43 | Very low | 44 | Very low | 177 Ų | 177 | 138.9 Ų | 138.9 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 138.7 | 174.2 | -65.3 | -166.1 | 167.3 | 0 | 0 | 112.8 | ||
| 137 | Y | 36.6 | Very low | 43.4 | Very low | 235 Ų | 235 | 139.6 Ų | 139.6 | 92% | 0.922 | 80% | 0.801 | S | S | * | * | trans | -147 | 140.3 | 143.6 | -78.9 | -75.3 | 0 | 0 | 0 | 110.1 | ||||
| 138 | S | 37 | Very low | 43.1 | Very low | 110 Ų | 110 | 140.1 Ų | 140.1 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | -113.2 | -174 | -178.4 | -166.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 139 | P | 53.7 | Low | 42.3 | Very low | 114 Ų | 114 | 140.5 Ų | 140.5 | 74% | 0.74 | 80% | 0.804 | S | S | * | * | -102.4 | 159.3 | -97.8 | 35.2 | -19 | 0 | 0 | 0 | 112.9 | |||||
| 140 | V | 39.3 | Very low | 41.6 | Very low | 146 Ų | 146 | 142.8 Ų | 142.8 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | trans | -148.9 | 133 | 153.9 | 102.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 141 | T | 38.4 | Very low | 40.6 | Very low | 140 Ų | 140 | 145.9 Ų | 145.9 | 86% | 0.859 | 81% | 0.811 | S | S | * | * | trans | -55 | 144.5 | 177.4 | -48.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 142 | G | 35.5 | Very low | 39.9 | Very low | 69 Ų | 69 | 145.4 Ų | 145.4 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | trans | 152.8 | 95.3 | 152.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 143 | A | 33 | Very low | 39 | Very low | 112 Ų | 112 | 147.5 Ų | 147.5 | 93% | 0.926 | 81% | 0.808 | S | S | * | * | trans | 49.4 | 133.3 | 137.2 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 144 | G | 35.2 | Very low | 38.3 | Very low | 71 Ų | 71 | 153.2 Ų | 153.2 | 73% | 0.732 | 82% | 0.817 | S | S | * | * | trans | 109.8 | 95 | 155.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 145 | D | 38.3 | Very low | 37.3 | Very low | 138 Ų | 138 | 149.6 Ų | 149.6 | 74% | 0.738 | 81% | 0.811 | S | S | * | * | 59 | 111.5 | 101.1 | -159.2 | 26.9 | 0 | 0 | 0 | 111.1 | |||||
| 146 | M | 40.4 | Very low | 37 | Very low | 145 Ų | 145 | 146.6 Ų | 146.6 | 71% | 0.714 | 81% | 0.809 | S | S | * | * | -178.2 | 142.1 | 59.4 | 37.5 | -163.4 | 61.3 | 0 | 0 | 110.7 | |||||
| 147 | T | 34.3 | Very low | 36.5 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 76% | 0.761 | 81% | 0.809 | S | S | * | * | trans | 37 | 120 | 149.6 | 78.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 148 | T | 42.4 | Very low | 36.6 | Very low | 144 Ų | 144 | 141.2 Ų | 141.2 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | -156.8 | 107.1 | 120.5 | -63.1 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 149 | Q | 37 | Very low | 36.6 | Very low | 175 Ų | 175 | 142.3 Ų | 142.3 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -83.4 | 121.5 | 170 | -72.2 | -84.1 | -2.5 | 0 | 0 | 108.3 | ||||
| 150 | Y | 32.6 | Very low | 35.7 | Very low | 222 Ų | 222 | 146.7 Ų | 146.7 | 87% | 0.871 | 81% | 0.809 | S | S | * | * | trans | -171.8 | 106.1 | 137.8 | -127.7 | -98.3 | 0 | 0 | 0 | 109.5 | ||||
| 151 | M | 32.6 | Very low | 35.5 | Very low | 174 Ų | 174 | 143.1 Ų | 143.1 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | trans | -112.1 | 134.8 | 165.3 | -70.7 | -171.3 | 77.3 | 0 | 0 | 108.7 | ||||
| 152 | P | 35.8 | Very low | 35.7 | Very low | 111 Ų | 111 | 141.8 Ų | 141.8 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | trans | -97.2 | 100.5 | 157.6 | 8.8 | 10.9 | 0 | 0 | 0 | 110 | ||||
| 153 | Q | 33.5 | Very low | 36.1 | Very low | 158 Ų | 158 | 145.3 Ų | 145.3 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | 38 | 99.7 | 125.3 | -153.4 | 152.1 | -39 | 0 | 0 | 118.9 | |||||
| 154 | Y | 33.3 | Very low | 36.4 | Very low | 231 Ų | 231 | 146.9 Ų | 146.9 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | -126.7 | 120.7 | 144.1 | -86.2 | -86.9 | 0 | 0 | 0 | 108.5 | ||||
| 155 | Q | 31.9 | Very low | 36.6 | Very low | 175 Ų | 175 | 146.8 Ų | 146.8 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -77.4 | 119.8 | 178.2 | -70.6 | 174.2 | -31.3 | 0 | 0 | 109.8 | ||||
| 156 | S | 32.7 | Very low | 36.7 | Very low | 107 Ų | 107 | 148.4 Ų | 148.4 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | -96.3 | 124.6 | 162.2 | 59.7 | 0 | 0 | 0 | 0 | 109 | Q158 | S156-Q158 PolarHBondContact O-N 3.09Š| ||
| 157 | S | 33.3 | Very low | 37 | Very low | 126 Ų | 126 | 147.6 Ų | 147.6 | 88% | 0.881 | 79% | 0.793 | S | S | * | * | trans | -77.8 | 115.7 | 174 | -59.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 158 | Q | 37.9 | Very low | 37.4 | Very low | 173 Ų | 173 | 147.2 Ų | 147.2 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | trans | -79.1 | 127 | 163.7 | -72.4 | -173.6 | -23 | 0 | 0 | 108.6 | S156 | S156-Q158 PolarHBondContact O-N 3.09Š| ||
| 159 | V | 37.5 | Very low | 37.2 | Very low | 133 Ų | 133 | 149.1 Ų | 149.1 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | 73.8 | 119.3 | 84.2 | 178.2 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 160 | Y | 35.1 | Very low | 37.3 | Very low | 207 Ų | 207 | 144 Ų | 144 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | 89.4 | 129.5 | 149.4 | -141.2 | -98.2 | 0 | 0 | 0 | 121.8 | D162 | Y160-D162 HydrophobicContact CE1-CB 4.38Š| ||
| 161 | G | 34.8 | Very low | 37.9 | Very low | 70 Ų | 70 | 144 Ų | 144 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | trans | 171.9 | 79.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 162 | D | 42.2 | Very low | 38.2 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 60% | 0.599 | 78% | 0.777 | S | S | * | * | trans | -73.9 | 130.6 | 169.4 | 176.7 | 27.1 | 0 | 0 | 0 | 110.8 | Y160 | Y160-D162 HydrophobicContact CE1-CB 4.38Š| ||
| 163 | V | 43.8 | Very low | 39 | Very low | 143 Ų | 143 | 142.6 Ų | 142.6 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | trans | -155.8 | 106.4 | 157.9 | -112 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 164 | D | 39 | Very low | 39.9 | Very low | 145 Ų | 145 | 143.5 Ų | 143.5 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | trans | -54 | 163.7 | 167.5 | -96.8 | -54.1 | 0 | 0 | 0 | 115 | ||||
| 165 | A | 40.3 | Very low | 41 | Very low | 70 Ų | 70 | 141.9 Ų | 141.9 | 58% | 0.579 | 77% | 0.774 | S | S | * | * | trans | 88.5 | 98.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 166 | H | 41.1 | Very low | 42.6 | Very low | 172 Ų | 172 | 137 Ų | 137 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | -176.5 | 97.2 | 103.3 | -76 | -45.2 | 0 | 0 | 0 | 110.5 | T168 | H166-T168 PolarHBondContact O-N 2.72Š| |||
| 167 | S | 47 | Very low | 44.5 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 90% | 0.895 | 75% | 0.75 | S | S | * | * | trans | -70.9 | 110.3 | 149.2 | 175.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 168 | T | 40.9 | Very low | 46.2 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | -146.1 | 89.1 | 165.8 | 11 | 0 | 0 | 0 | 0 | 109.8 | H166 | H166-T168 PolarHBondContact O-N 2.72Š| ||
| 169 | H | 39.8 | Very low | 47.8 | Very low | 185 Ų | 185 | 137 Ų | 137 | 86% | 0.856 | 73% | 0.726 | S | S | * | * | 44.6 | 99 | 123.6 | -148.3 | -69.9 | 0 | 0 | 0 | 117.2 | |||||
| 170 | G | 38.6 | Very low | 49.8 | Very low | 68 Ų | 68 | 132.1 Ų | 132.1 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | trans | -162.2 | 48.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S172 | G170-S172 PolarHBondContact O-N 2.92Š| ||
| 171 | R | 44.1 | Very low | 52 | Low | 222 Ų | 222 | 128.6 Ų | 128.6 | 84% | 0.838 | 69% | 0.687 | S | S | * | * | trans | -56.2 | 98.9 | 158.8 | -81.8 | -170.2 | 149.5 | -155.4 | -6.3 | 107.1 | N173 | R171-N173 VanDerWaalsContact C-N 3.25Å; R171-N173 PolarHBondContact O-N 3.24Å; R171-N173 PolarHBondContact O-ND2 2.83Å | ||
| 172 | S | 40.8 | Very low | 54.1 | Low | 107 Ų | 107 | 129 Ų | 129 | 75% | 0.748 | 68% | 0.675 | S | S | * | * | trans | -62.4 | 95.7 | 167.7 | 173.6 | 0 | 0 | 0 | 0 | 106.7 | G170 F174 | G170-S172 PolarHBondContact O-N 2.92Å; S172-F174 PolarHBondContact O-N 3.49Å | ||
| 173 | N | 52 | Low | 56.1 | Low | 148 Ų | 148 | 130.8 Ų | 130.8 | 79% | 0.791 | 67% | 0.674 | S | S | * | * | trans | -72.5 | 61.5 | 165.8 | -66.6 | -64.5 | 0 | 0 | 0 | 108.2 | R171 R175 | R171-N173 VanDerWaalsContact C-N 3.25Å; R171-N173 PolarHBondContact O-N 3.24Å; R171-N173 PolarHBondContact O-ND2 2.83Å; N173-R175 PolarHBondContact O-N 3.33Å | ||
| 174 | F | 51.2 | Low | 58.2 | Low | 177 Ų | 177 | 130.6 Ų | 130.6 | 78% | 0.776 | 66% | 0.664 | S | S | * | * | trans | -79.1 | 76 | 155.8 | -154.7 | -95.5 | 0 | 0 | 0 | 106.4 | S172 D176 | S172-F174 PolarHBondContact O-N 3.49Å; F174-D176 VanDerWaalsContact C-N 3.29Å; F174-D176 PolarHBondContact O-N 3.15Å | ||
| 175 | R | 58 | Low | 60.4 | Low | 196 Ų | 196 | 133.4 Ų | 133.4 | 74% | 0.74 | 66% | 0.664 | S | S | * | * | trans | -59.7 | 100.1 | 168.4 | 174.6 | -174.1 | -77.2 | -112.5 | 4.4 | 105.4 | N173 E177 S180 | N173-R175 PolarHBondContact O-N 3.33Å; R175-E177 PolarHBondContact O-N 3.25Å; R175-S180 WeakPolarHBondContact CG-OG 3.33Å | ||
| 176 | D | 64.9 | Low | 62.7 | Low | 72 Ų | 72 | 134.7 Ų | 134.7 | 39% | 0.385 | 66% | 0.661 | S | S | . | * | trans | -58.8 | 112.3 | 176 | 165.9 | 51.2 | 0 | 0 | 0 | 108.2 | F174 R178 S179 S180 | F174-D176 VanDerWaalsContact C-N 3.29Å; F174-D176 PolarHBondContact O-N 3.15Å; D176-R178 PolarHBondContact O-N 3.05Å; D176-R178 WeakPolarHBondContact OD1-CB 3.5Å; D176-R178 PolarHBondContact OD1-N 3.19Å; D176-S179 VanDerWaalsContact CB-OG 3.26Å; D176-S179 WeakPolarHBondContact CB-OG 3.21Å; D176-S179 PolarHBondContact O-N 2.85Å; D176-S179 PolarHBondContact O-OG 3.1Å; D176-S179 WeakPolarHBondContact OD2-CA 3.29Å; D176-S179 WeakPolarHBondContact OD2-CB 3.34Å; D176-S179 PolarHBondContact OD2-N 3.35Å; D176-S179 PolarHBondContact OD2-OG 3.13Å; D176-S180 PolarHBondContact O-N 2.74Å; D176-S180 PolarHBondContact O-OG 2.92Å | ||
| 177 | E | 72.1 | Confident | 64.7 | Low | 143 Ų | 143 | 130.5 Ų | 130.5 | 67% | 0.668 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -61.2 | -26.2 | -177.2 | -78.6 | -143.9 | 93.9 | 0 | 0 | 111.2 | R175 K181 | R175-E177 PolarHBondContact O-N 3.25Å; E177-K181 WeakPolarHBondContact O-CG 3.12Å; E177-K181 PolarHBondContact O-N 2.86Å |
| 178 | R | 69.9 | Low | 66.6 | Low | 205 Ų | 205 | 131.9 Ų | 131.9 | 77% | 0.774 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -72.7 | -44.3 | 179.5 | -156.4 | 179.4 | -167.7 | 128.2 | 0.3 | 112 | D176 T182 | D176-R178 PolarHBondContact O-N 3.05Å; D176-R178 WeakPolarHBondContact OD1-CB 3.5Å; D176-R178 PolarHBondContact OD1-N 3.19Å; R178-T182 PolarHBondContact O-N 2.92Å; R178-T182 PolarHBondContact O-OG1 2.8Å |
| 179 | S | 71.1 | Confident | 68.7 | Low | 59 Ų | 59 | 133.2 Ų | 133.2 | 41% | 0.413 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -69.7 | -35.5 | 174.2 | 52.7 | 0 | 0 | 0 | 0 | 112.1 | D176 K181 T182 Y183 | D176-S179 VanDerWaalsContact CB-OG 3.26Å; D176-S179 WeakPolarHBondContact CB-OG 3.21Å; D176-S179 PolarHBondContact O-N 2.85Å; D176-S179 PolarHBondContact O-OG 3.1Å; D176-S179 WeakPolarHBondContact OD2-CA 3.29Å; D176-S179 WeakPolarHBondContact OD2-CB 3.34Å; D176-S179 PolarHBondContact OD2-N 3.35Å; D176-S179 PolarHBondContact OD2-OG 3.13Å; S179-K181 PolarHBondContact O-N 3.33Å; S179-T182 PolarHBondContact O-N 2.89Å; S179-Y183 WeakPolarHBondContact O-CB 3.27Å; S179-Y183 PolarHBondContact O-N 2.9Å |
| 180 | S | 79.9 | Confident | 70.6 | Confident | 30 Ų | 30 | 128.3 Ų | 128.3 | 21% | 0.21 | 61% | 0.607 | C | S | . | * | H | α-helix | trans | -61 | -46.8 | 176.6 | -62 | 0 | 0 | 0 | 0 | 112.2 | R175 D176 T182 Y183 E184 | R175-S180 WeakPolarHBondContact CG-OG 3.33Å; D176-S180 PolarHBondContact O-N 2.74Å; D176-S180 PolarHBondContact O-OG 2.92Å; S180-T182 VanDerWaalsContact C-N 3.3Å; S180-T182 PolarHBondContact O-N 3.01Å; S180-Y183 PolarHBondContact O-N 3.29Å; S180-E184 WeakPolarHBondContact O-CB 3.38Å; S180-E184 PolarHBondContact O-N 3.08Å |
| 181 | K | 79.9 | Confident | 72.6 | Confident | 134 Ų | 134 | 132.4 Ų | 132.4 | 58% | 0.583 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.2 | -36 | 175.7 | -73.1 | 175.2 | -179 | 172.3 | 0 | 112.6 | E177 S179 R185 | E177-K181 WeakPolarHBondContact O-CG 3.12Å; E177-K181 PolarHBondContact O-N 2.86Å; S179-K181 PolarHBondContact O-N 3.33Å; K181-R185 WeakPolarHBondContact O-CB 3.47Å; K181-R185 PolarHBondContact O-N 3.26Å |
| 182 | T | 79.5 | Confident | 73.9 | Confident | 78 Ų | 78 | 127.9 Ų | 127.9 | 48% | 0.479 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -68.9 | -46.6 | 177.4 | -53.8 | 0 | 0 | 0 | 0 | 110.9 | R178 S179 S180 E184 R185 L186 | R178-T182 PolarHBondContact O-N 2.92Å; R178-T182 PolarHBondContact O-OG1 2.8Å; S179-T182 PolarHBondContact O-N 2.89Å; S180-T182 VanDerWaalsContact C-N 3.3Å; S180-T182 PolarHBondContact O-N 3.01Å; T182-E184 VanDerWaalsContact C-N 3.33Å; T182-E184 PolarHBondContact O-N 2.98Å; T182-R185 PolarHBondContact O-N 2.8Å; T182-L186 HydrophobicContact CG2-CD1 4.14Å; T182-L186 WeakPolarHBondContact O-CB 3.09Å; T182-L186 VanDerWaalsContact O-CG 3.25Å; T182-L186 WeakPolarHBondContact O-CG 3.04Å; T182-L186 PolarHBondContact O-N 3.05Å |
| 183 | Y | 83.4 | Confident | 75 | Confident | 149 Ų | 149 | 132.5 Ų | 132.5 | 58% | 0.584 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -60 | -42.7 | 175.4 | -179.9 | -101.5 | 0 | 0 | 0 | 111.7 | S179 S180 L186 Q187 | S179-Y183 WeakPolarHBondContact O-CB 3.27Å; S179-Y183 PolarHBondContact O-N 2.9Å; S180-Y183 PolarHBondContact O-N 3.29Å; Y183-L186 PolarHBondContact O-N 2.81Å; Y183-Q187 HydrophobicContact CD1-CG 4.12Å; Y183-Q187 HydrophobicContact CE1-CG 3.76Å; Y183-Q187 HydrophobicContact CE2-CG 4.17Å; Y183-Q187 HydrophobicContact CG-CG 4.49Å; Y183-Q187 WeakPolarHBondContact O-CB 3.34Å; Y183-Q187 VanDerWaalsContact O-CG 3.31Å; Y183-Q187 WeakPolarHBondContact O-CG 3.42Å; Y183-Q187 PolarHBondContact O-N 2.87Å; Y183-Q187 PolarHBondContact OH-NE2 2.87Å |
| 184 | E | 88.1 | Confident | 75.4 | Confident | 140 Ų | 140 | 132.7 Ų | 132.7 | 65% | 0.654 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67 | -39.7 | 178.7 | -153.2 | 174 | -148.6 | 0 | 0 | 112.2 | S180 T182 Q187 K188 | S180-E184 WeakPolarHBondContact O-CB 3.38Å; S180-E184 PolarHBondContact O-N 3.08Å; T182-E184 VanDerWaalsContact C-N 3.33Å; T182-E184 PolarHBondContact O-N 2.98Å; E184-Q187 PolarHBondContact O-N 3.44Å; E184-K188 WeakPolarHBondContact O-CB 3.31Å; E184-K188 PolarHBondContact O-N 3.05Å |
| 185 | R | 86.2 | Confident | 75.6 | Confident | 203 Ų | 203 | 127.1 Ų | 127.1 | 77% | 0.766 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.8 | -41.9 | 172.6 | -173.3 | -178.5 | -177.4 | 115.3 | -1.2 | 111.9 | K181 T182 K189 | K181-R185 WeakPolarHBondContact O-CB 3.47Å; K181-R185 PolarHBondContact O-N 3.26Å; T182-R185 PolarHBondContact O-N 2.8Å; R185-K189 WeakPolarHBondContact O-CB 3.48Å; R185-K189 PolarHBondContact O-N 2.95Å |
| 186 | L | 87.9 | Confident | 75.4 | Confident | 98 Ų | 98 | 123.6 Ų | 123.6 | 51% | 0.513 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66 | -44.6 | 176.9 | -71.4 | 170 | 0 | 0 | 0 | 111.3 | T182 Y183 K189 L190 | T182-L186 HydrophobicContact CG2-CD1 4.14Å; T182-L186 WeakPolarHBondContact O-CB 3.09Å; T182-L186 VanDerWaalsContact O-CG 3.25Å; T182-L186 WeakPolarHBondContact O-CG 3.04Å; T182-L186 PolarHBondContact O-N 3.05Å; Y183-L186 PolarHBondContact O-N 2.81Å; L186-K189 PolarHBondContact O-N 3.26Å; L186-L190 WeakPolarHBondContact O-CG 3.31Å; L186-L190 PolarHBondContact O-N 3.38Å |
| 187 | Q | 84 | Confident | 74.6 | Confident | 83 Ų | 83 | 128.4 Ų | 128.4 | 39% | 0.388 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -62.2 | -43 | 175.7 | -78 | -70.8 | 6.4 | 0 | 0 | 112 | Y183 E184 K189 L190 K191 | Y183-Q187 HydrophobicContact CD1-CG 4.12Å; Y183-Q187 HydrophobicContact CE1-CG 3.76Å; Y183-Q187 HydrophobicContact CE2-CG 4.17Å; Y183-Q187 HydrophobicContact CG-CG 4.49Å; Y183-Q187 WeakPolarHBondContact O-CB 3.34Å; Y183-Q187 VanDerWaalsContact O-CG 3.31Å; Y183-Q187 WeakPolarHBondContact O-CG 3.42Å; Y183-Q187 PolarHBondContact O-N 2.87Å; Y183-Q187 PolarHBondContact OH-NE2 2.87Å; E184-Q187 PolarHBondContact O-N 3.44Å; Q187-K189 VanDerWaalsContact C-N 3.32Å; Q187-K189 PolarHBondContact O-N 2.91Å; Q187-L190 PolarHBondContact O-N 2.75Å; Q187-K191 WeakPolarHBondContact O-CB 3.41Å; Q187-K191 PolarHBondContact O-N 2.82Å |
| 188 | K | 86.9 | Confident | 73.6 | Confident | 158 Ų | 158 | 130.7 Ų | 130.7 | 69% | 0.687 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -59.1 | -44.2 | 173.2 | -175.9 | 176.4 | 178 | 179.4 | 0 | 111.2 | E184 K191 D192 | E184-K188 WeakPolarHBondContact O-CB 3.31Å; E184-K188 PolarHBondContact O-N 3.05Å; K188-K191 PolarHBondContact O-N 2.87Å; K188-D192 VanDerWaalsContact O-CB 3.29Å; K188-D192 WeakPolarHBondContact O-CB 3.48Å; K188-D192 PolarHBondContact O-N 3.01Å |
| 189 | K | 84.9 | Confident | 72.6 | Confident | 142 Ų | 142 | 127.4 Ų | 127.4 | 62% | 0.617 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.7 | -32.3 | 179.4 | -165.4 | 179.8 | 168 | -166.2 | 0 | 112.7 | R185 L186 Q187 R193 | R185-K189 WeakPolarHBondContact O-CB 3.48Å; R185-K189 PolarHBondContact O-N 2.95Å; L186-K189 PolarHBondContact O-N 3.26Å; Q187-K189 VanDerWaalsContact C-N 3.32Å; Q187-K189 PolarHBondContact O-N 2.91Å; K189-R193 WeakPolarHBondContact O-CG 3.35Å; K189-R193 PolarHBondContact O-N 2.78Å |
| 190 | L | 78.8 | Confident | 71.4 | Confident | 82 Ų | 82 | 134.3 Ų | 134.3 | 43% | 0.429 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -73 | -41.4 | 173 | -73.6 | 176.8 | 0 | 0 | 0 | 112.2 | L186 Q187 R193 Q194 | L186-L190 WeakPolarHBondContact O-CG 3.31Å; L186-L190 PolarHBondContact O-N 3.38Å; Q187-L190 PolarHBondContact O-N 2.75Å; L190-R193 PolarHBondContact O-N 3.49Å; L190-Q194 PolarHBondContact O-N 2.85Å |
| 191 | K | 80.9 | Confident | 70.1 | Confident | 155 Ų | 155 | 141.6 Ų | 141.6 | 67% | 0.674 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -67.9 | -36.5 | 177.9 | -162.7 | 176.9 | 77 | -162.5 | 0 | 112.1 | Q187 K188 R193 Q194 G195 | Q187-K191 WeakPolarHBondContact O-CB 3.41Å; Q187-K191 PolarHBondContact O-N 2.82Å; K188-K191 PolarHBondContact O-N 2.87Å; K191-R193 VanDerWaalsContact C-N 3.27Å; K191-R193 PolarHBondContact O-N 3.36Å; K191-Q194 CarbonylContact O-C 3.58Å; K191-Q194 PolarHBondContact O-N 2.82Å; K191-Q194 VanDerWaalsContact O-N 3.08Å; K191-G195 PolarHBondContact O-N 2.89Å |
| 192 | D | 71.4 | Confident | 68.5 | Low | 126 Ų | 126 | 140.6 Ų | 140.6 | 67% | 0.674 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -60.9 | -36.6 | 173.8 | -167 | 71.4 | 0 | 0 | 0 | 111.8 | K188 Q194 | K188-D192 VanDerWaalsContact O-CB 3.29Å; K188-D192 WeakPolarHBondContact O-CB 3.48Å; K188-D192 PolarHBondContact O-N 3.01Å; D192-Q194 VanDerWaalsContact C-N 3.34Å; D192-Q194 PolarHBondContact O-N 3.47Å |
| 193 | R | 63 | Low | 66.6 | Low | 205 Ų | 205 | 142.2 Ų | 142.2 | 77% | 0.774 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -74.1 | -20.6 | 173.5 | -67 | 179.9 | 80.2 | -141.7 | 3.4 | 114.2 | K189 L190 K191 | K189-R193 WeakPolarHBondContact O-CG 3.35Å; K189-R193 PolarHBondContact O-N 2.78Å; L190-R193 PolarHBondContact O-N 3.49Å; K191-R193 VanDerWaalsContact C-N 3.27Å; K191-R193 PolarHBondContact O-N 3.36Å |
| 194 | Q | 61 | Low | 65 | Low | 152 Ų | 152 | 140.5 Ų | 140.5 | 71% | 0.71 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -100 | -5 | 179.2 | -71.5 | 173.2 | 48.6 | 0 | 0 | 113.1 | L190 K191 D192 T196 | L190-Q194 PolarHBondContact O-N 2.85Å; K191-Q194 CarbonylContact O-C 3.58Å; K191-Q194 PolarHBondContact O-N 2.82Å; K191-Q194 VanDerWaalsContact O-N 3.08Å; D192-Q194 VanDerWaalsContact C-N 3.34Å; D192-Q194 PolarHBondContact O-N 3.47Å; Q194-T196 VanDerWaalsContact C-N 3.27Å; Q194-T196 PolarHBondContact O-N 2.77Å |
| 195 | G | 55.7 | Low | 63.2 | Low | 60 Ų | 60 | 140 Ų | 140 | 62% | 0.619 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -74.2 | -5.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116 | K191 | K191-G195 PolarHBondContact O-N 2.89Š|
| 196 | T | 54.4 | Low | 61.2 | Low | 122 Ų | 122 | 136.2 Ų | 136.2 | 75% | 0.748 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -143.4 | 78.6 | -176.1 | -31.4 | 0 | 0 | 0 | 0 | 111.1 | Q194 | Q194-T196 VanDerWaalsContact C-N 3.27Å; Q194-T196 PolarHBondContact O-N 2.77Å |
| 197 | Q | 48.3 | Very low | 59.3 | Low | 173 Ų | 173 | 136.3 Ų | 136.3 | 81% | 0.808 | 72% | 0.723 | S | S | * | * | trans | 166 | 98.5 | 142.2 | -96.6 | -170.9 | -54.4 | 0 | 0 | 108.5 | ||||
| 198 | K | 50.5 | Low | 57.5 | Low | 191 Ų | 191 | 138 Ų | 138 | 83% | 0.83 | 74% | 0.742 | S | S | * | * | trans | -76 | 144.7 | 144.2 | -82.2 | -172.9 | 173.9 | -176.6 | 0 | 107 | ||||
| 199 | D | 49.6 | Very low | 55.3 | Low | 136 Ų | 136 | 139.2 Ų | 139.2 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 94 | 114.2 | 171.3 | -49.4 | -40.7 | 0 | 0 | 0 | 116.2 | ||
| 200 | K | 44.5 | Very low | 53 | Low | 204 Ų | 204 | 141.7 Ų | 141.7 | 89% | 0.887 | 76% | 0.76 | S | S | * | * | trans | 95.6 | 66.8 | 172.4 | -47 | -154.6 | -178.7 | -163.1 | 0 | 116.2 | ||||
| 201 | M | 52.5 | Low | 50.8 | Low | 182 Ų | 182 | 143.2 Ų | 143.2 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | trans | -59.7 | 148.2 | 149.5 | 57.5 | 112.3 | 74.5 | 0 | 0 | 111.1 | ||||
| 202 | S | 47.4 | Very low | 48.8 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | 100.1 | 65.3 | 179 | -154.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 203 | S | 38.5 | Very low | 47.1 | Very low | 111 Ų | 111 | 140.7 Ų | 140.7 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -159.7 | 140.3 | 145.6 | -50.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 204 | P | 49.7 | Very low | 46 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 152.6 | 167.2 | 29.6 | -31.5 | 0 | 0 | 0 | 110 | S206 | P204-S206 PolarHBondContact O-N 2.72Š|
| 205 | P | 51.3 | Low | 44.9 | Very low | 129 Ų | 129 | 136.9 Ų | 136.9 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 135.8 | 175.9 | 26.7 | -32.6 | 0 | 0 | 0 | 110.6 | S207 | P205-S207 PolarHBondContact O-N 3.26Š|
| 206 | S | 44.6 | Very low | 44.1 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -63 | 131.3 | 173.2 | -65.1 | 0 | 0 | 0 | 0 | 111 | P204 | P204-S206 PolarHBondContact O-N 2.72Š|
| 207 | S | 46.3 | Very low | 43.4 | Very low | 100 Ų | 100 | 144 Ų | 144 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -53 | 138 | 174.7 | -174.7 | 0 | 0 | 0 | 0 | 111.7 | P205 Q209 | P205-S207 PolarHBondContact O-N 3.26Å; S207-Q209 PolarHBondContact O-N 2.97Å |
| 208 | P | 46.8 | Very low | 42.7 | Very low | 120 Ų | 120 | 143.7 Ų | 143.7 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | trans | -66.3 | 105.8 | 172.3 | 26.7 | -30.4 | 0 | 0 | 0 | 108.9 | K210 | P208-K210 PolarHBondContact O-N 2.74Š| ||
| 209 | Q | 41.6 | Very low | 42.2 | Very low | 182 Ų | 182 | 142 Ų | 142 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | trans | -64.5 | 125.9 | 169.7 | -73.5 | -157.4 | -11.8 | 0 | 0 | 110 | S207 | S207-Q209 PolarHBondContact O-N 2.97Š| ||
| 210 | K | 37.2 | Very low | 41.6 | Very low | 194 Ų | 194 | 138.3 Ų | 138.3 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | 39.1 | 91.4 | 156.6 | -68.2 | -178.3 | 177 | -176 | 0 | 115.5 | P208 | P208-K210 PolarHBondContact O-N 2.74Š| ||
| 211 | C | 30.7 | Very low | 41.4 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -63 | 131.2 | 147.9 | -60.6 | 0 | 0 | 0 | 0 | 108.3 | S213 | C211-S213 PolarHBondContact O-N 3.31Š|
| 212 | P | 40.3 | Very low | 40.9 | Very low | 126 Ų | 126 | 136 Ų | 136 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 117.7 | 164.1 | 26.9 | -28.8 | 0 | 0 | 0 | 107.8 | ||
| 213 | S | 35.5 | Very low | 40.4 | Very low | 101 Ų | 101 | 139.9 Ų | 139.9 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 148.7 | 170.6 | -60.4 | 0 | 0 | 0 | 0 | 110.3 | C211 I215 | C211-S213 PolarHBondContact O-N 3.31Å; S213-I215 PolarHBondContact O-N 3.32Å |
| 214 | P | 39.8 | Very low | 40.2 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 131 | 169.7 | 26.8 | -31.3 | 0 | 0 | 0 | 108.6 | N216 | P214-N216 PolarHBondContact O-N 2.76Š|
| 215 | I | 38.3 | Very low | 39.5 | Very low | 153 Ų | 153 | 141.8 Ų | 141.8 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 120.9 | 176 | -79.9 | 164.1 | 0 | 0 | 0 | 108.4 | S213 E217 | S213-I215 PolarHBondContact O-N 3.32Å; I215-E217 PolarHBondContact O-N 2.89Å |
| 216 | N | 37.4 | Very low | 38.8 | Very low | 154 Ų | 154 | 143.4 Ų | 143.4 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | trans | -64.8 | 111.3 | 164.1 | -159.6 | 41.8 | 0 | 0 | 0 | 106.1 | P214 H218 | P214-N216 PolarHBondContact O-N 2.76Å; N216-H218 PolarHBondContact O-N 3.44Å | ||
| 217 | E | 39.8 | Very low | 38.2 | Very low | 177 Ų | 177 | 142 Ų | 142 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | trans | -64.2 | 96.8 | 178.8 | -58 | -179.1 | 165.7 | 0 | 0 | 108 | I215 N219 | I215-E217 PolarHBondContact O-N 2.89Å; E217-N219 PolarHBondContact O-N 3.19Å; E217-N219 VanDerWaalsContact O-N 3.15Å | ||
| 218 | H | 35.4 | Very low | 37.5 | Very low | 168 Ų | 168 | 141 Ų | 141 | 78% | 0.778 | 80% | 0.803 | S | S | * | * | trans | -64 | 110.3 | 167.8 | 176.2 | 49.6 | 0 | 0 | 0 | 107.5 | N216 G220 | N216-H218 PolarHBondContact O-N 3.44Å; H218-G220 PolarHBondContact O-N 2.81Å | ||
| 219 | N | 38.7 | Very low | 36.6 | Very low | 155 Ų | 155 | 138.5 Ų | 138.5 | 83% | 0.829 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -56.7 | 122.5 | 166.2 | -100.9 | -17 | 0 | 0 | 0 | 109.2 | E217 | E217-N219 PolarHBondContact O-N 3.19Å; E217-N219 VanDerWaalsContact O-N 3.15Å |
| 220 | G | 37.9 | Very low | 36.2 | Very low | 58 Ų | 58 | 136.8 Ų | 136.8 | 60% | 0.598 | 79% | 0.794 | S | S | * | * | trans | 109.6 | 78.4 | 159.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | H218 | H218-G220 PolarHBondContact O-N 2.81Š| ||
| 221 | L | 39.7 | Very low | 35.8 | Very low | 164 Ų | 164 | 135 Ų | 135 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | trans | -152 | 94.1 | 140.4 | -165.1 | 62.3 | 0 | 0 | 0 | 110.3 | K223 | L221-K223 PolarHBondContact O-N 2.75Š| ||
| 222 | I | 42.7 | Very low | 35.9 | Very low | 173 Ų | 173 | 135.9 Ų | 135.9 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | trans | -73.9 | 105.2 | 166.3 | -56.7 | 170.7 | 0 | 0 | 0 | 106.6 | ||||
| 223 | K | 35.8 | Very low | 35.4 | Very low | 197 Ų | 197 | 133 Ų | 133 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | trans | -133.8 | 106.4 | 153.5 | -161.7 | 168.2 | -175.4 | 175.9 | 0 | 107.7 | L221 | L221-K223 PolarHBondContact O-N 2.75Š| ||
| 224 | G | 35.5 | Very low | 35.1 | Very low | 66 Ų | 66 | 134 Ų | 134 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | trans | -65 | 153.9 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 225 | Q | 35.1 | Very low | 34.8 | Very low | 199 Ų | 199 | 132.8 Ų | 132.8 | 93% | 0.93 | 80% | 0.797 | S | S | * | * | trans | -155.2 | 129.6 | 134.9 | -127.8 | 169.5 | 3.5 | 0 | 0 | 110.9 | ||||
| 226 | I | 34.8 | Very low | 34.6 | Very low | 163 Ų | 163 | 135.6 Ų | 135.6 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | -72.1 | 150.6 | 175 | -68.4 | -70.7 | 0 | 0 | 0 | 110.2 | ||||
| 227 | A | 33 | Very low | 34.7 | Very low | 92 Ų | 92 | 136.2 Ų | 136.2 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | 79.5 | 124 | 155.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 228 | G | 31 | Very low | 34.4 | Very low | 80 Ų | 80 | 137 Ų | 137 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -76 | 176.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 229 | G | 28.8 | Very low | 34.1 | Very low | 68 Ų | 68 | 134.7 Ų | 134.7 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | trans | 128.9 | 113.1 | 154.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 230 | I | 32.3 | Very low | 33.7 | Very low | 145 Ų | 145 | 131.1 Ų | 131.1 | 74% | 0.744 | 81% | 0.807 | S | S | * | * | trans | 78.7 | 87.9 | 138.6 | -48.1 | 170.2 | 0 | 0 | 0 | 116.5 | T232 | I230-T232 PolarHBondContact O-N 3.35Š| ||
| 231 | N | 29.8 | Very low | 33.7 | Very low | 158 Ų | 158 | 138.1 Ų | 138.1 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | trans | -31.9 | 110.2 | 137.9 | 27.1 | -13.9 | 0 | 0 | 0 | 115.6 | ||||
| 232 | T | 32.2 | Very low | 33.3 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | trans | -157 | 117.5 | 148.6 | 50.2 | 0 | 0 | 0 | 0 | 105.4 | I230 | I230-T232 PolarHBondContact O-N 3.35Š| ||
| 233 | G | 29.6 | Very low | 33.4 | Very low | 67 Ų | 67 | 135.8 Ų | 135.8 | 69% | 0.691 | 82% | 0.819 | S | S | * | * | 122.3 | 125.6 | 69.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 234 | S | 30.5 | Very low | 33.2 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | 53.8 | 119.2 | 157.1 | 61.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 235 | A | 32.4 | Very low | 33.4 | Very low | 98 Ų | 98 | 130.4 Ų | 130.4 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | -177.9 | 120.7 | 109.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 236 | K | 34.1 | Very low | 33.4 | Very low | 212 Ų | 212 | 126.6 Ų | 126.6 | 92% | 0.922 | 81% | 0.81 | S | S | * | * | trans | -76.9 | 128.7 | 166.5 | -68.8 | 174.9 | 176.2 | 174.6 | 0 | 108.5 | ||||
| 237 | I | 38.7 | Very low | 34 | Very low | 167 Ų | 167 | 128.4 Ų | 128.4 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | trans | -127.1 | 134.1 | 152.9 | -64 | -172.5 | 0 | 0 | 0 | 109.1 | ||||
| 238 | K | 33.5 | Very low | 34.2 | Very low | 193 Ų | 193 | 129.3 Ų | 129.3 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | trans | -81.2 | 150.4 | -172.4 | -72.5 | 173.1 | 171.7 | 174 | 0 | 112.2 | ||||
| 239 | S | 29.3 | Very low | 34.4 | Very low | 120 Ų | 120 | 131.2 Ų | 131.2 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | 60.7 | 116.1 | 131.4 | -174.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 240 | G | 30.4 | Very low | 34.9 | Very low | 79 Ų | 79 | 133.8 Ų | 133.8 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | trans | -158.4 | 89.7 | 157.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | G242 | G240-G242 PolarHBondContact O-N 3Š| ||
| 241 | K | 38 | Very low | 35.2 | Very low | 205 Ų | 205 | 135 Ų | 135 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | trans | -76.6 | 109.6 | 172.8 | 179.5 | 167 | 177.4 | 173.9 | 0 | 108.9 | ||||
| 242 | G | 32.6 | Very low | 36.1 | Very low | 73 Ų | 73 | 133.8 Ų | 133.8 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | -126.9 | 104.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | G240 | G240-G242 PolarHBondContact O-N 3Š| ||
| 243 | K | 44 | Very low | 36.8 | Very low | 216 Ų | 216 | 135.2 Ų | 135.2 | 94% | 0.939 | 80% | 0.796 | S | S | * | * | trans | -75.1 | 119 | 162 | -94.1 | -178.1 | 169.2 | -175.5 | 0 | 107 | ||||
| 244 | G | 30.6 | Very low | 37.9 | Very low | 70 Ų | 70 | 140.7 Ų | 140.7 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | trans | -158 | 99.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | T246 | G244-T246 PolarHBondContact O-N 3.19Š| ||
| 245 | G | 40.5 | Very low | 39.1 | Very low | 80 Ų | 80 | 138.9 Ų | 138.9 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | -68.2 | 122.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 246 | T | 36.3 | Very low | 41.4 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | trans | -147 | 110.5 | 151.9 | -50.1 | 0 | 0 | 0 | 0 | 105.4 | G244 V248 | G244-T246 PolarHBondContact O-N 3.19Å; T246-V248 PolarHBondContact O-N 2.98Å; T246-V248 VanDerWaalsContact O-N 3.13Å | ||
| 247 | Q | 47.3 | Very low | 43.5 | Very low | 200 Ų | 200 | 134.3 Ų | 134.3 | 94% | 0.935 | 75% | 0.749 | S | S | * | * | trans | -41.1 | 109.4 | 162.4 | -177.7 | -178.9 | -0.2 | 0 | 0 | 109 | ||||
| 248 | V | 36.4 | Very low | 45.3 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 67% | 0.673 | 74% | 0.742 | S | S | * | * | trans | -129.8 | 128.4 | 171.6 | 173.6 | 0 | 0 | 0 | 0 | 106.7 | T246 | T246-V248 PolarHBondContact O-N 2.98Å; T246-V248 VanDerWaalsContact O-N 3.13Å | ||
| 249 | D | 34.4 | Very low | 47.6 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 64% | 0.642 | 72% | 0.721 | S | S | * | * | trans | 53.1 | 97.9 | 164.9 | -73.1 | -20.6 | 0 | 0 | 0 | 117.8 | E251 | D249-E251 HydrophobicContact CB-CG 3.84Å; D249-E251 PolarHBondContact O-N 2.86Å | ||
| 250 | T | 40.9 | Very low | 50.1 | Low | 122 Ų | 122 | 126.9 Ų | 126.9 | 75% | 0.748 | 70% | 0.703 | S | S | * | * | -51.2 | 89.7 | 119.9 | -47.7 | 0 | 0 | 0 | 0 | 107.1 | I252 | T250-I252 HydrophobicContact CG2-CD1 4.35Å; T250-I252 HydrophobicContact CG2-CG1 3.63Å; T250-I252 PolarHBondContact O-N 2.61Å | |||
| 251 | E | 37.1 | Very low | 52.5 | Low | 171 Ų | 171 | 125.7 Ų | 125.7 | 80% | 0.799 | 69% | 0.686 | S | S | * | * | trans | -62.7 | 81.5 | 159 | -74.7 | -176.7 | 151.9 | 0 | 0 | 105 | D249 E253 | D249-E251 HydrophobicContact CB-CG 3.84Å; D249-E251 PolarHBondContact O-N 2.86Å; E251-E253 PolarHBondContact O-N 2.92Å | ||
| 252 | I | 48.3 | Very low | 54.5 | Low | 132 Ų | 132 | 121 Ų | 121 | 68% | 0.677 | 67% | 0.666 | S | S | * | * | trans | -64.7 | 97.7 | 148.9 | -58.3 | 178.7 | 0 | 0 | 0 | 101.4 | T250 E254 | T250-I252 HydrophobicContact CG2-CD1 4.35Å; T250-I252 HydrophobicContact CG2-CG1 3.63Å; T250-I252 PolarHBondContact O-N 2.61Å; I252-E254 PolarHBondContact O-N 3.19Å | ||
| 253 | E | 48.3 | Very low | 57 | Low | 163 Ų | 163 | 122.6 Ų | 122.6 | 76% | 0.762 | 65% | 0.653 | S | S | * | * | trans | -52.3 | 85.6 | 161 | -173.6 | -179.1 | 147.4 | 0 | 0 | 105.7 | E251 K255 | E251-E253 PolarHBondContact O-N 2.92Å; E253-K255 PolarHBondContact O-N 2.92Å | ||
| 254 | E | 51.4 | Low | 58.8 | Low | 182 Ų | 182 | 113.8 Ų | 113.8 | 85% | 0.85 | 62% | 0.621 | S | S | * | * | trans | -66.4 | 81.9 | 167.5 | -117.2 | -173.8 | 171.1 | 0 | 0 | 104 | I252 D256 | I252-E254 PolarHBondContact O-N 3.19Å; E254-D256 PolarHBondContact O-N 2.85Å | ||
| 255 | K | 57.1 | Low | 61.4 | Low | 83 Ų | 83 | 111.3 Ų | 111.3 | 36% | 0.361 | 59% | 0.591 | S | S | . | * | trans | -58.9 | 115.4 | 174 | -167.5 | 173.8 | -178.1 | 171.2 | 0 | 105.3 | E253 E257 T259 E263 | E253-K255 PolarHBondContact O-N 2.92Å; K255-E257 PolarHBondContact O-N 3.17Å; K255-T259 HydrophobicContact CD-CG2 4.5Å; K255-T259 HydrophobicContact CG-CG2 4.17Å; K255-E263 VanDerWaalsContact NZ-CD 3.3Å; K255-E263 IonicContact NZ-OE1 2.61Å; K255-E263 IonicContact NZ-OE2 3.29Å; K255-E263 PolarHBondContact NZ-OE2 3.19Å | ||
| 256 | D | 79.1 | Confident | 63.4 | Low | 90 Ų | 90 | 111.2 Ų | 111.2 | 48% | 0.481 | 57% | 0.571 | S | S | . | * | trans | -41 | 127.7 | 178.8 | 163.9 | 61.4 | 0 | 0 | 0 | 110.3 | E254 E258 T259 K260 | E254-D256 PolarHBondContact O-N 2.85Å; D256-E258 PolarHBondContact O-N 3.17Å; D256-E258 VanDerWaalsContact O-N 3.14Å; D256-E258 WeakPolarHBondContact OD2-CB 3.34Å; D256-T259 WeakPolarHBondContact O-CA 3.07Å; D256-T259 VanDerWaalsContact O-CB 3.29Å; D256-T259 WeakPolarHBondContact O-CB 3.46Å; D256-T259 PolarHBondContact O-N 2.87Å; D256-T259 PolarHBondContact OD2-N 3.24Å; D256-T259 PolarHBondContact OD2-OG1 3.45Å; D256-K260 PolarHBondContact O-N 3.5Å | ||
| 257 | E | 79.6 | Confident | 65.6 | Low | 125 Ų | 125 | 109.8 Ų | 109.8 | 58% | 0.584 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.7 | -28.7 | -168.8 | -171.3 | 66.7 | -159 | 0 | 0 | 110.9 | K255 K260 A261 | K255-E257 PolarHBondContact O-N 3.17Å; E257-K260 PolarHBondContact O-N 2.77Å; E257-K260 IonicContact OE1-NZ 3.45Å; E257-K260 PolarHBondContact OE1-NZ 2.84Å; E257-K260 IonicContact OE2-NZ 3.15Å; E257-K260 PolarHBondContact OE2-NZ 3.35Å; E257-K260 VanDerWaalsContact OE2-NZ 3.15Å; E257-A261 WeakPolarHBondContact O-CB 3.4Å; E257-A261 PolarHBondContact O-N 2.8Å |
| 258 | E | 76.6 | Confident | 67.3 | Low | 152 Ų | 152 | 104 Ų | 104 | 71% | 0.71 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.9 | -46.1 | 171 | -176.1 | -172.3 | 159.9 | 0 | 0 | 111.6 | D256 K260 A261 F262 | D256-E258 PolarHBondContact O-N 3.17Å; D256-E258 VanDerWaalsContact O-N 3.14Å; D256-E258 WeakPolarHBondContact OD2-CB 3.34Å; E258-K260 VanDerWaalsContact C-N 3.27Å; E258-K260 PolarHBondContact O-N 2.95Å; E258-A261 PolarHBondContact O-N 2.75Å; E258-F262 WeakPolarHBondContact O-CB 3.26Å; E258-F262 PolarHBondContact O-N 2.89Å |
| 259 | T | 81.5 | Confident | 69.7 | Low | 66 Ų | 66 | 102.9 Ų | 102.9 | 41% | 0.405 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.5 | -38.1 | 175.4 | -54.2 | 0 | 0 | 0 | 0 | 111.9 | K255 D256 E263 | K255-T259 HydrophobicContact CD-CG2 4.5Å; K255-T259 HydrophobicContact CG-CG2 4.17Å; D256-T259 WeakPolarHBondContact O-CA 3.07Å; D256-T259 VanDerWaalsContact O-CB 3.29Å; D256-T259 WeakPolarHBondContact O-CB 3.46Å; D256-T259 PolarHBondContact O-N 2.87Å; D256-T259 PolarHBondContact OD2-N 3.24Å; D256-T259 PolarHBondContact OD2-OG1 3.45Å; T259-E263 WeakPolarHBondContact O-CB 3.34Å; T259-E263 PolarHBondContact O-N 2.9Å |
| 260 | K | 82.5 | Confident | 72.3 | Confident | 105 Ų | 105 | 101.3 Ų | 101.3 | 46% | 0.457 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -71.4 | -40.7 | 177 | -178.6 | -179 | 161.1 | -148 | 0 | 112.2 | D256 E257 E258 F262 E263 A264 | D256-K260 PolarHBondContact O-N 3.5Å; E257-K260 PolarHBondContact O-N 2.77Å; E257-K260 IonicContact OE1-NZ 3.45Å; E257-K260 PolarHBondContact OE1-NZ 2.84Å; E257-K260 IonicContact OE2-NZ 3.15Å; E257-K260 PolarHBondContact OE2-NZ 3.35Å; E257-K260 VanDerWaalsContact OE2-NZ 3.15Å; E258-K260 VanDerWaalsContact C-N 3.27Å; E258-K260 PolarHBondContact O-N 2.95Å; K260-F262 VanDerWaalsContact C-N 3.33Å; K260-E263 PolarHBondContact O-N 3.46Å; K260-A264 WeakPolarHBondContact O-CB 3.48Å; K260-A264 PolarHBondContact O-N 3.21Å |
| 261 | A | 80.5 | Confident | 74.7 | Confident | 55 Ų | 55 | 104.1 Ų | 104.1 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E257 E258 A264 L265 | E257-A261 WeakPolarHBondContact O-CB 3.4Å; E257-A261 PolarHBondContact O-N 2.8Å; E258-A261 PolarHBondContact O-N 2.75Å; A261-A264 PolarHBondContact O-N 3.43Å; A261-L265 WeakPolarHBondContact O-CB 3.4Å; A261-L265 PolarHBondContact O-N 3.02Å |
| 262 | F | 80.4 | Confident | 77.3 | Confident | 107 Ų | 107 | 99.1 Ų | 99.1 | 47% | 0.469 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.2 | -41.6 | 176.3 | -169.8 | -108.4 | 0 | 0 | 0 | 112.3 | E258 K260 L265 L266 | E258-F262 WeakPolarHBondContact O-CB 3.26Å; E258-F262 PolarHBondContact O-N 2.89Å; K260-F262 VanDerWaalsContact C-N 3.33Å; F262-L265 HydrophobicContact CD2-CD2 4.46Å; F262-L265 WeakPolarHBondContact O-CB 3.41Å; F262-L265 PolarHBondContact O-N 3.01Å; F262-L266 HydrophobicContact CD1-CD1 3.83Å; F262-L266 HydrophobicContact CD1-CG 4.23Å; F262-L266 HydrophobicContact CE1-CD1 3.37Å; F262-L266 HydrophobicContact CE1-CD2 4.43Å; F262-L266 HydrophobicContact CE1-CG 3.95Å; F262-L266 HydrophobicContact CZ-CD1 3.88Å; F262-L266 HydrophobicContact CZ-CD2 4.12Å; F262-L266 HydrophobicContact CZ-CG 4.1Å; F262-L266 WeakPolarHBondContact O-CG 3.25Å; F262-L266 PolarHBondContact O-N 3.22Å |
| 263 | E | 83.4 | Confident | 79.6 | Confident | 105 Ų | 105 | 97 Ų | 97 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 173.1 | -178.8 | 177.9 | -152.1 | 0 | 0 | 111.8 | K255 T259 K260 L265 L266 S267 | K255-E263 VanDerWaalsContact NZ-CD 3.3Å; K255-E263 IonicContact NZ-OE1 2.61Å; K255-E263 IonicContact NZ-OE2 3.29Å; K255-E263 PolarHBondContact NZ-OE2 3.19Å; T259-E263 WeakPolarHBondContact O-CB 3.34Å; T259-E263 PolarHBondContact O-N 2.9Å; K260-E263 PolarHBondContact O-N 3.46Å; E263-L265 VanDerWaalsContact C-N 3.31Å; E263-L265 PolarHBondContact O-N 3.31Å; E263-L266 PolarHBondContact O-N 3.27Å; E263-S267 WeakPolarHBondContact O-CB 3.17Å; E263-S267 PolarHBondContact O-N 3.49Å |
| 264 | A | 83.2 | Confident | 81.8 | Confident | 31 Ų | 31 | 92 Ų | 92 | 26% | 0.256 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.7 | -42.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K260 A261 S267 N268 I293 | K260-A264 WeakPolarHBondContact O-CB 3.48Å; K260-A264 PolarHBondContact O-N 3.21Å; A261-A264 PolarHBondContact O-N 3.43Å; A264-S267 PolarHBondContact O-N 3.01Å; A264-S267 PolarHBondContact O-OG 2.91Å; A264-N268 PolarHBondContact O-N 3.35Å; A264-N268 PolarHBondContact O-ND2 3.32Å; A264-I293 HydrophobicContact CB-CD1 4.42Å |
| 265 | L | 83.8 | Confident | 84 | Confident | 19 Ų | 19 | 85.7 Ų | 85.7 | 10% | 0.099 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -61.8 | -47.6 | 176 | -177.7 | 64 | 0 | 0 | 0 | 112.1 | A261 F262 E263 S267 N268 P289 P303 Y306 | A261-L265 WeakPolarHBondContact O-CB 3.4Å; A261-L265 PolarHBondContact O-N 3.02Å; F262-L265 HydrophobicContact CD2-CD2 4.46Å; F262-L265 WeakPolarHBondContact O-CB 3.41Å; F262-L265 PolarHBondContact O-N 3.01Å; E263-L265 VanDerWaalsContact C-N 3.31Å; E263-L265 PolarHBondContact O-N 3.31Å; L265-S267 VanDerWaalsContact C-N 3.29Å; L265-S267 PolarHBondContact O-N 3.4Å; L265-N268 PolarHBondContact O-N 2.84Å; L265-P289 HydrophobicContact CD1-CB 3.72Å; L265-P289 HydrophobicContact CG-CB 3.88Å; L265-P303 HydrophobicContact CD2-CG 4.5Å; L265-Y306 WeakPolarHBondContact CD2-OH 3.41Å |
| 266 | L | 84.2 | Confident | 85.8 | Confident | 78 Ų | 78 | 86.3 Ų | 86.3 | 41% | 0.408 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.3 | -29.8 | 177.8 | -68 | -175.1 | 0 | 0 | 0 | 112.7 | F262 E263 N268 I269 | F262-L266 HydrophobicContact CD1-CD1 3.83Å; F262-L266 HydrophobicContact CD1-CG 4.23Å; F262-L266 HydrophobicContact CE1-CD1 3.37Å; F262-L266 HydrophobicContact CE1-CD2 4.43Å; F262-L266 HydrophobicContact CE1-CG 3.95Å; F262-L266 HydrophobicContact CZ-CD1 3.88Å; F262-L266 HydrophobicContact CZ-CD2 4.12Å; F262-L266 HydrophobicContact CZ-CG 4.1Å; F262-L266 WeakPolarHBondContact O-CG 3.25Å; F262-L266 PolarHBondContact O-N 3.22Å; E263-L266 PolarHBondContact O-N 3.27Å; L266-N268 PolarHBondContact O-N 3.45Å; L266-I269 HydrophobicContact CB-CD1 4.35Å; L266-I269 HydrophobicContact CD2-CD1 3.58Å; L266-I269 WeakPolarHBondContact O-CB 3.31Å; L266-I269 WeakPolarHBondContact O-CG1 3.45Å; L266-I269 PolarHBondContact O-N 2.93Å; L266-I269 VanDerWaalsContact O-N 3.17Å |
| 267 | S | 81.9 | Confident | 86.5 | Confident | 88 Ų | 88 | 88.3 Ų | 88.3 | 62% | 0.615 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66.2 | -23.9 | 176.8 | 79.6 | 0 | 0 | 0 | 0 | 113 | E263 A264 L265 I269 | E263-S267 WeakPolarHBondContact O-CB 3.17Å; E263-S267 PolarHBondContact O-N 3.49Å; A264-S267 PolarHBondContact O-N 3.01Å; A264-S267 PolarHBondContact O-OG 2.91Å; L265-S267 VanDerWaalsContact C-N 3.29Å; L265-S267 PolarHBondContact O-N 3.4Å; S267-I269 VanDerWaalsContact C-N 3.28Å; S267-I269 PolarHBondContact O-N 3.19Å |
| 268 | N | 83.1 | Confident | 87.3 | Confident | 78 Ų | 78 | 87.7 Ų | 87.7 | 42% | 0.417 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 2.3 | 176.8 | -69.1 | -34.9 | 0 | 0 | 0 | 113.5 | A264 L265 L266 V270 S290 | A264-N268 PolarHBondContact O-N 3.35Å; A264-N268 PolarHBondContact O-ND2 3.32Å; L265-N268 PolarHBondContact O-N 2.84Å; L266-N268 PolarHBondContact O-N 3.45Å; N268-V270 PolarHBondContact O-N 2.88Å; N268-S290 PolarHBondContact ND2-O 2.99Å |
| 269 | I | 87.4 | Confident | 88.1 | Confident | 89 Ų | 89 | 85.5 Ų | 85.5 | 46% | 0.456 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 118.9 | 177.7 | -66.1 | 174.2 | 0 | 0 | 0 | 109.7 | L266 S267 P289 | L266-I269 HydrophobicContact CB-CD1 4.35Å; L266-I269 HydrophobicContact CD2-CD1 3.58Å; L266-I269 WeakPolarHBondContact O-CB 3.31Å; L266-I269 WeakPolarHBondContact O-CG1 3.45Å; L266-I269 PolarHBondContact O-N 2.93Å; L266-I269 VanDerWaalsContact O-N 3.17Å; S267-I269 VanDerWaalsContact C-N 3.28Å; S267-I269 PolarHBondContact O-N 3.19Å; I269-P289 HydrophobicContact CD1-CG 4.02Å; I269-P289 HydrophobicContact CG1-CB 3.95Å; I269-P289 HydrophobicContact CG1-CG 3.79Å |
| 270 | V | 88.4 | Confident | 88.6 | Confident | 87 Ų | 87 | 93.9 Ų | 93.9 | 53% | 0.527 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -80.1 | 142.1 | 175.8 | -176.6 | 0 | 0 | 0 | 0 | 109.7 | N268 | N268-V270 PolarHBondContact O-N 2.88Š|
| 271 | K | 90.6 | Very high | 89.2 | Confident | 181 Ų | 181 | 92.4 Ų | 92.4 | 79% | 0.787 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 130.3 | 174.4 | -175.2 | -179.6 | 176.9 | -179.6 | 0 | 110.1 | ||
| 272 | P | 93 | Very high | 89.8 | Confident | 65 Ų | 65 | 93.5 Ų | 93.5 | 42% | 0.422 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 146.2 | 176.5 | 27.7 | -35.8 | 0 | 0 | 0 | 110.9 | L284 T285 W286 | P272-L284 HydrophobicContact CB-CD1 4Å; P272-L284 HydrophobicContact CB-CG 4.43Å; P272-T285 CarbonylContact C-O 3.6Å; P272-T285 WeakPolarHBondContact CA-O 3.08Å; P272-W286 HydrophobicContact CB-CB 4.07Å |
| 273 | V | 95.4 | Very high | 90.5 | Very high | 87 Ų | 87 | 91.6 Ų | 91.6 | 53% | 0.527 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 127.2 | -178.3 | 179.9 | 0 | 0 | 0 | 0 | 109.3 | L284 T285 | V273-L284 WeakPolarHBondContact O-CA 3.39Å; V273-T285 PolarHBondContact N-O 2.8Å; V273-T285 PolarHBondContact O-N 2.89Å |
| 274 | A | 94.9 | Very high | 91.1 | Very high | 58 Ų | 58 | 90 Ų | 90 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 123.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | V282 V283 L284 | A274-V282 HydrophobicContact CB-CG2 3.9Å; A274-V283 CarbonylContact C-O 3.56Å; A274-V283 WeakPolarHBondContact CA-O 3.48Å; A274-L284 HydrophobicContact CB-CD1 4.43Å |
| 275 | S | 96.6 | Very high | 91.6 | Very high | 50 Ų | 50 | 92.2 Ų | 92.2 | 35% | 0.35 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 172.7 | 179.7 | 63.1 | 0 | 0 | 0 | 0 | 110.9 | I277 V283 | S275-I277 PolarHBondContact O-N 3.43Å; S275-V283 PolarHBondContact N-O 3.02Å; S275-V283 PolarHBondContact O-N 2.72Å |
| 276 | D | 94.8 | Very high | 92 | Very high | 96 Ų | 96 | 95.6 Ų | 95.6 | 51% | 0.513 | 53% | 0.525 | S | S | . | . | S | Bend | trans | 46.8 | 54.3 | -179.2 | -171.7 | 31.6 | 0 | 0 | 0 | 113.1 | Q278 V283 | D276-Q278 PolarHBondContact O-N 3.47Å; D276-Q278 PolarHBondContact OD1-NE2 3Å; D276-Q278 VanDerWaalsContact OD1-NE2 3.11Å; D276-Q278 PolarHBondContact OD2-NE2 3.01Å; D276-V283 HydrophobicContact CB-CB 4.34Å; D276-V283 HydrophobicContact CB-CG2 3.93Å |
| 277 | I | 95.6 | Very high | 92.2 | Very high | 133 Ų | 133 | 94.7 Ų | 94.7 | 68% | 0.682 | 53% | 0.525 | S | S | * | . | trans | -77.4 | 117.3 | -178.6 | -58 | 172.8 | 0 | 0 | 0 | 108.9 | S275 V282 | S275-I277 PolarHBondContact O-N 3.43Å; I277-V282 HydrophobicContact CG1-CG2 3.98Å | ||
| 278 | Q | 95.7 | Very high | 92.3 | Very high | 111 Ų | 111 | 94 Ų | 94 | 52% | 0.519 | 52% | 0.518 | S | S | . | . | trans | -120.1 | 179.4 | 174.8 | -51.7 | 179.4 | 20.6 | 0 | 0 | 110.2 | D276 R280 T281 | D276-Q278 PolarHBondContact O-N 3.47Å; D276-Q278 PolarHBondContact OD1-NE2 3Å; D276-Q278 VanDerWaalsContact OD1-NE2 3.11Å; D276-Q278 PolarHBondContact OD2-NE2 3.01Å; Q278-R280 PolarHBondContact O-N 3.43Å; Q278-T281 WeakPolarHBondContact CB-OG1 3.38Å; Q278-T281 PolarHBondContact N-O 3.15Å; Q278-T281 PolarHBondContact OE1-OG1 3.42Å | ||
| 279 | A | 94.3 | Very high | 92.2 | Very high | 107 Ų | 107 | 91 Ų | 91 | 88% | 0.884 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -58.2 | -25.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 280 | R | 92.1 | Very high | 91.3 | Very high | 241 Ų | 241 | 89.8 Ų | 89.8 | 91% | 0.909 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -137.9 | -0.6 | -175.8 | -64.8 | -175.5 | 178.3 | -89.9 | -0.9 | 114.9 | Q278 | Q278-R280 PolarHBondContact O-N 3.43Š|
| 281 | T | 93.3 | Very high | 89.8 | Confident | 74 Ų | 74 | 88.6 Ų | 88.6 | 45% | 0.454 | 50% | 0.498 | S | S | . | . | trans | -137.1 | 151.6 | -174.6 | 57.1 | 0 | 0 | 0 | 0 | 110.5 | Q278 | Q278-T281 WeakPolarHBondContact CB-OG1 3.38Å; Q278-T281 PolarHBondContact N-O 3.15Å; Q278-T281 PolarHBondContact OE1-OG1 3.42Å | ||
| 282 | V | 94.3 | Very high | 88 | Confident | 79 Ų | 79 | 86.7 Ų | 86.7 | 48% | 0.479 | 50% | 0.496 | S | S | . | . | trans | -148.2 | 141.8 | 172.7 | 59.7 | 0 | 0 | 0 | 0 | 107.7 | A274 I277 | A274-V282 HydrophobicContact CB-CG2 3.9Å; I277-V282 HydrophobicContact CG1-CG2 3.98Å | ||
| 283 | V | 95.6 | Very high | 86 | Confident | 66 Ų | 66 | 89.3 Ų | 89.3 | 40% | 0.4 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 121.4 | 172.6 | 175.8 | 0 | 0 | 0 | 0 | 108.2 | A274 S275 D276 | A274-V283 CarbonylContact C-O 3.56Å; A274-V283 WeakPolarHBondContact CA-O 3.48Å; S275-V283 PolarHBondContact N-O 3.02Å; S275-V283 PolarHBondContact O-N 2.72Å; D276-V283 HydrophobicContact CB-CB 4.34Å; D276-V283 HydrophobicContact CB-CG2 3.93Å |
| 284 | L | 95.3 | Very high | 83.6 | Confident | 71 Ų | 71 | 92.8 Ų | 92.8 | 37% | 0.372 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 122.9 | 176.2 | -170.3 | 67.6 | 0 | 0 | 0 | 108.9 | P272 V273 A274 W286 V310 | P272-L284 HydrophobicContact CB-CD1 4Å; P272-L284 HydrophobicContact CB-CG 4.43Å; V273-L284 WeakPolarHBondContact O-CA 3.39Å; A274-L284 HydrophobicContact CB-CD1 4.43Å; L284-W286 HydrophobicContact CB-CE3 4.49Å; L284-W286 HydrophobicContact CB-CZ3 4.03Å; L284-W286 HydrophobicContact CD2-CE3 4.15Å; L284-W286 HydrophobicContact CD2-CZ3 3.73Å; L284-W286 HydrophobicContact CG-CE3 3.87Å; L284-W286 HydrophobicContact CG-CZ3 3.71Å; L284-W286 WeakPolarHBondContact O-CZ3 3.5Å; L284-V310 HydrophobicContact CD2-CG1 3.91Å; L284-V310 HydrophobicContact CD2-CG2 4.35Å |
| 285 | T | 94.2 | Very high | 81.3 | Confident | 78 Ų | 78 | 93.4 Ų | 93.4 | 48% | 0.479 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 137.2 | -177.5 | -52.7 | 0 | 0 | 0 | 0 | 110.6 | P272 V273 | P272-T285 CarbonylContact C-O 3.6Å; P272-T285 WeakPolarHBondContact CA-O 3.08Å; V273-T285 PolarHBondContact N-O 2.8Å; V273-T285 PolarHBondContact O-N 2.89Å |
| 286 | W | 92.3 | Very high | 78.8 | Confident | 91 Ų | 91 | 99.3 Ų | 99.3 | 35% | 0.345 | 56% | 0.555 | S | S | . | * | trans | -146.7 | 162 | 175.8 | 58.7 | 92.4 | 0 | 0 | 0 | 111.5 | P272 L284 Y308 V310 | P272-W286 HydrophobicContact CB-CB 4.07Å; L284-W286 HydrophobicContact CB-CE3 4.49Å; L284-W286 HydrophobicContact CB-CZ3 4.03Å; L284-W286 HydrophobicContact CD2-CE3 4.15Å; L284-W286 HydrophobicContact CD2-CZ3 3.73Å; L284-W286 HydrophobicContact CG-CE3 3.87Å; L284-W286 HydrophobicContact CG-CZ3 3.71Å; L284-W286 WeakPolarHBondContact O-CZ3 3.5Å; W286-Y308 AromaticContact CD1-CE1 3.76Å; W286-Y308 HydrophobicContact CZ2-CD2 4.45Å; W286-Y308 HydrophobicContact CZ2-CG 4.09Å; W286-Y308 AromaticContact NE1-CD1 3.39Å; W286-Y308 AromaticContact NE1-CD2 3.71Å; W286-Y308 AromaticContact NE1-CE1 3.44Å; W286-Y308 AromaticContact NE1-CE2 3.75Å; W286-Y308 AromaticContact NE1-CG 3.53Å; W286-Y308 AromaticContact NE1-CZ 3.63Å; W286-V310 HydrophobicContact CH2-CG2 3.97Å; W286-V310 HydrophobicContact CZ3-CG2 4.42Å | ||
| 287 | S | 87.7 | Confident | 76.5 | Confident | 58 Ų | 58 | 100.5 Ų | 100.5 | 41% | 0.406 | 57% | 0.566 | S | S | . | * | trans | -109 | 146.1 | 173.4 | 55.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 288 | P | 83.6 | Confident | 74.2 | Confident | 74 Ų | 74 | 99.6 Ų | 99.6 | 48% | 0.481 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -63.2 | 155.3 | 173.6 | 27.6 | -34.1 | 0 | 0 | 0 | 111.5 | S290 Y306 Y308 | P288-S290 PolarHBondContact O-N 2.91Å; P288-Y306 HydrophobicContact CB-CD2 4.26Å; P288-Y306 HydrophobicContact CB-CE2 4.38Å; P288-Y308 WeakPolarHBondContact CA-OH 3.48Å |
| 289 | P | 80.6 | Confident | 72 | Confident | 15 Ų | 15 | 102.9 Ų | 102.9 | 10% | 0.097 | 58% | 0.578 | C | S | . | * | P | Polyproline II helix | trans | -55.5 | 133.8 | 171.4 | -13.3 | 22.9 | 0 | 0 | 0 | 110.3 | L265 I269 Y306 | L265-P289 HydrophobicContact CD1-CB 3.72Å; L265-P289 HydrophobicContact CG-CB 3.88Å; I269-P289 HydrophobicContact CD1-CG 4.02Å; I269-P289 HydrophobicContact CG1-CB 3.95Å; I269-P289 HydrophobicContact CG1-CG 3.79Å; P289-Y306 HydrophobicContact CG-CD1 4.41Å; P289-Y306 HydrophobicContact CG-CE1 3.92Å; P289-Y306 HydrophobicContact CG-CE2 4.16Å |
| 290 | S | 68.6 | Low | 69.6 | Low | 63 Ų | 63 | 102.9 Ų | 102.9 | 44% | 0.441 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -96.5 | 126.7 | 179.5 | -62.3 | 0 | 0 | 0 | 0 | 110.8 | N268 P288 L292 | N268-S290 PolarHBondContact ND2-O 2.99Å; P288-S290 PolarHBondContact O-N 2.91Å; S290-L292 PolarHBondContact O-N 3.31Å |
| 291 | S | 58 | Low | 67.6 | Low | 62 Ų | 62 | 95.3 Ų | 95.3 | 43% | 0.434 | 56% | 0.555 | S | S | . | * | trans | -86.2 | 35.2 | 177.2 | 57.3 | 0 | 0 | 0 | 0 | 113.3 | I293 | S291-I293 PolarHBondContact O-N 2.93Š| ||
| 292 | L | 52.9 | Low | 65.6 | Low | 142 Ų | 142 | 95.5 Ų | 95.5 | 74% | 0.743 | 56% | 0.556 | S | S | * | * | trans | -74.6 | 75.4 | 176.2 | -84.8 | 165.2 | 0 | 0 | 0 | 110.3 | S290 | S290-L292 PolarHBondContact O-N 3.31Š| ||
| 293 | I | 50.3 | Low | 63.7 | Low | 119 Ų | 119 | 94.5 Ų | 94.5 | 61% | 0.61 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -99.3 | 112.7 | 160.7 | -149.9 | 98.6 | 0 | 0 | 0 | 106.6 | A264 S291 G295 | A264-I293 HydrophobicContact CB-CD1 4.42Å; S291-I293 PolarHBondContact O-N 2.93Å; I293-G295 PolarHBondContact O-N 2.83Å |
| 294 | N | 44.8 | Very low | 61.7 | Low | 160 Ų | 160 | 100.1 Ų | 100.1 | 86% | 0.856 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.3 | 30.9 | 163.1 | -75.6 | 5.2 | 0 | 0 | 0 | 121 | E296 | N294-E296 PolarHBondContact O-N 3.46Š|
| 295 | G | 46.2 | Very low | 60.3 | Low | 72 Ų | 72 | 104.2 Ų | 104.2 | 74% | 0.742 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.7 | 5.3 | 157.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | I293 | I293-G295 PolarHBondContact O-N 2.83Š|
| 296 | E | 44.8 | Very low | 59.3 | Low | 174 Ų | 174 | 103.6 Ų | 103.6 | 81% | 0.813 | 58% | 0.584 | S | S | * | * | trans | -105.5 | 104.4 | 165.6 | -160.2 | 172.1 | 172.9 | 0 | 0 | 106.3 | N294 D298 | N294-E296 PolarHBondContact O-N 3.46Å; E296-D298 PolarHBondContact O-N 2.88Å | ||
| 297 | T | 47.2 | Very low | 58.9 | Low | 121 Ų | 121 | 102.8 Ų | 102.8 | 74% | 0.742 | 60% | 0.604 | S | S | * | * | trans | -69.9 | 84.6 | 174.5 | -54.3 | 0 | 0 | 0 | 0 | 107.8 | E299 | T297-E299 VanDerWaalsContact C-N 3.3Å; T297-E299 HydrophobicContact CG2-CG 4Å; T297-E299 PolarHBondContact O-N 2.9Å; T297-E299 VanDerWaalsContact O-N 3.11Å | ||
| 298 | D | 45.8 | Very low | 58.9 | Low | 114 Ų | 114 | 103.6 Ų | 103.6 | 61% | 0.61 | 60% | 0.598 | S | S | * | * | trans | -76.7 | 92.7 | 162.4 | -157 | -2.4 | 0 | 0 | 0 | 106.7 | E296 S300 | E296-D298 PolarHBondContact O-N 2.88Å; D298-S300 PolarHBondContact O-N 3.37Å | ||
| 299 | E | 49.8 | Very low | 59.3 | Low | 180 Ų | 180 | 105.6 Ų | 105.6 | 84% | 0.841 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | -4.8 | 177.4 | -89.6 | -152.2 | 118 | 0 | 0 | 113.3 | T297 | T297-E299 VanDerWaalsContact C-N 3.3Å; T297-E299 HydrophobicContact CG2-CG 4Å; T297-E299 PolarHBondContact O-N 2.9Å; T297-E299 VanDerWaalsContact O-N 3.11Å |
| 300 | S | 44.3 | Very low | 59.9 | Low | 107 Ų | 107 | 106.1 Ų | 106.1 | 75% | 0.748 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 0.1 | -173.7 | -168.3 | 0 | 0 | 0 | 0 | 115.8 | D298 | D298-S300 PolarHBondContact O-N 3.37Š|
| 301 | S | 49.5 | Very low | 61.1 | Low | 82 Ų | 82 | 107.4 Ų | 107.4 | 57% | 0.573 | 61% | 0.605 | S | S | * | * | trans | -121.9 | 6.6 | -172.9 | 67.1 | 0 | 0 | 0 | 0 | 116.2 | P303 | S301-P303 VanDerWaalsContact O-CD 3.31Å; S301-P303 WeakPolarHBondContact O-CD 3.26Å | ||
| 302 | V | 51.3 | Low | 62.7 | Low | 77 Ų | 77 | 108.7 Ų | 108.7 | 47% | 0.467 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -75.3 | 119.5 | 171.3 | -172.9 | 0 | 0 | 0 | 0 | 107.8 | E304 | V302-E304 PolarHBondContact O-N 2.91Å; V302-E304 VanDerWaalsContact O-N 3.12Å |
| 303 | P | 54.3 | Low | 64.6 | Low | 58 Ų | 58 | 103.4 Ų | 103.4 | 38% | 0.377 | 58% | 0.582 | S | S | . | * | trans | -54.6 | 123.1 | 174.4 | -22 | 32.3 | 0 | 0 | 0 | 109.4 | L265 S301 L305 Y306 | L265-P303 HydrophobicContact CD2-CG 4.5Å; S301-P303 VanDerWaalsContact O-CD 3.31Å; S301-P303 WeakPolarHBondContact O-CD 3.26Å; P303-L305 PolarHBondContact O-N 3.29Å; P303-Y306 HydrophobicContact CB-CE1 4.45Å; P303-Y306 HydrophobicContact CG-CE1 4.37Å | ||
| 304 | E | 55.1 | Low | 66.4 | Low | 185 Ų | 185 | 103.5 Ų | 103.5 | 86% | 0.864 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -63.7 | -16.5 | -159 | -158.5 | 167.9 | 176.1 | 0 | 0 | 114.6 | V302 | V302-E304 PolarHBondContact O-N 2.91Å; V302-E304 VanDerWaalsContact O-N 3.12Å |
| 305 | L | 64.1 | Low | 68.4 | Low | 157 Ų | 157 | 99.6 Ų | 99.6 | 82% | 0.822 | 58% | 0.575 | S | S | * | * | trans | -154.3 | 122.4 | 169.1 | -83.5 | 104.2 | 0 | 0 | 0 | 111.4 | P303 | P303-L305 PolarHBondContact O-N 3.29Š| ||
| 306 | Y | 74.4 | Confident | 70.1 | Confident | 65 Ų | 65 | 99.1 Ų | 99.1 | 26% | 0.255 | 57% | 0.57 | S | S | . | * | trans | -81.5 | 121.4 | 163.1 | -62.4 | -69.5 | 0 | 0 | 0 | 109.6 | L265 P288 P289 P303 | L265-Y306 WeakPolarHBondContact CD2-OH 3.41Å; P288-Y306 HydrophobicContact CB-CD2 4.26Å; P288-Y306 HydrophobicContact CB-CE2 4.38Å; P289-Y306 HydrophobicContact CG-CD1 4.41Å; P289-Y306 HydrophobicContact CG-CE1 3.92Å; P289-Y306 HydrophobicContact CG-CE2 4.16Å; P303-Y306 HydrophobicContact CB-CE1 4.45Å; P303-Y306 HydrophobicContact CG-CE1 4.37Å | ||
| 307 | G | 83.3 | Confident | 71.7 | Confident | 73 Ų | 73 | 100.3 Ų | 100.3 | 75% | 0.753 | 57% | 0.573 | S | S | * | * | trans | -82.5 | 135.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 308 | Y | 87.3 | Confident | 73.3 | Confident | 76 Ų | 76 | 97.8 Ų | 97.8 | 30% | 0.298 | 56% | 0.555 | S | S | . | * | trans | -117.8 | 119.2 | 178 | -62.2 | -77 | 0 | 0 | 0 | 109.7 | W286 P288 Y325 | W286-Y308 AromaticContact CD1-CE1 3.76Å; W286-Y308 HydrophobicContact CZ2-CD2 4.45Å; W286-Y308 HydrophobicContact CZ2-CG 4.09Å; W286-Y308 AromaticContact NE1-CD1 3.39Å; W286-Y308 AromaticContact NE1-CD2 3.71Å; W286-Y308 AromaticContact NE1-CE1 3.44Å; W286-Y308 AromaticContact NE1-CE2 3.75Å; W286-Y308 AromaticContact NE1-CG 3.53Å; W286-Y308 AromaticContact NE1-CZ 3.63Å; P288-Y308 WeakPolarHBondContact CA-OH 3.48Å; Y308-Y325 WeakPolarHBondContact O-CD1 3.4Å | ||
| 309 | E | 93.1 | Very high | 75.3 | Confident | 115 Ų | 115 | 95 Ų | 95 | 54% | 0.537 | 55% | 0.552 | S | S | . | * | trans | -102.4 | 130.8 | 168.6 | -175.1 | 176.7 | -159.3 | 0 | 0 | 109.9 | L311 S323 Y325 V326 | E309-L311 HydrophobicContact CG-CD1 4.48Å; E309-L311 HydrophobicContact CG-CG 4.28Å; E309-S323 WeakPolarHBondContact OE1-CB 3.31Å; E309-S323 PolarHBondContact OE1-OG 3.27Å; E309-Y325 CarbonylContact C-O 3.58Å; E309-Y325 VanDerWaalsContact CA-O 3.31Å; E309-Y325 WeakPolarHBondContact CA-O 3.29Å; E309-V326 HydrophobicContact CG-CG2 4.31Å | ||
| 310 | V | 92.9 | Very high | 77.3 | Confident | 27 Ų | 27 | 93.2 Ų | 93.2 | 16% | 0.164 | 54% | 0.542 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 128.1 | 175.3 | -175.1 | 0 | 0 | 0 | 0 | 110 | L284 W286 S323 V324 Y325 | L284-V310 HydrophobicContact CD2-CG1 3.91Å; L284-V310 HydrophobicContact CD2-CG2 4.35Å; W286-V310 HydrophobicContact CH2-CG2 3.97Å; W286-V310 HydrophobicContact CZ3-CG2 4.42Å; V310-S323 WeakPolarHBondContact O-CA 3.34Å; V310-V324 HydrophobicContact CB-CG2 3.92Å; V310-V324 HydrophobicContact CG1-CG2 3.74Å; V310-V324 WeakPolarHBondContact O-CG2 3.37Å; V310-V324 PolarHBondContact O-N 3.42Å; V310-Y325 HydrophobicContact CG2-CD1 4.31Å; V310-Y325 HydrophobicContact CG2-CG 4.49Å; V310-Y325 PolarHBondContact N-O 3.4Å |
| 311 | L | 93.3 | Very high | 79.6 | Confident | 89 Ų | 89 | 94.9 Ų | 94.9 | 47% | 0.466 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 128.3 | -174.6 | -73.9 | 151.4 | 0 | 0 | 0 | 109.5 | E309 Y321 K322 | E309-L311 HydrophobicContact CG-CD1 4.48Å; E309-L311 HydrophobicContact CG-CG 4.28Å; L311-Y321 HydrophobicContact CB-CD1 4.38Å; L311-Y321 HydrophobicContact CB-CG 4.4Å; L311-K322 CarbonylContact C-O 3.6Å; L311-K322 WeakPolarHBondContact CA-O 3.11Å |
| 312 | I | 91.9 | Very high | 81.7 | Confident | 90 Ų | 90 | 98.9 Ų | 98.9 | 46% | 0.462 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 132.6 | -179 | -62.1 | -174.5 | 0 | 0 | 0 | 110.9 | Y321 K322 V324 | I312-Y321 CarbonylContact O-C 3.57Å; I312-Y321 WeakPolarHBondContact O-CA 3.38Å; I312-K322 PolarHBondContact N-O 3.45Å; I312-K322 PolarHBondContact O-N 2.85Å; I312-V324 HydrophobicContact CB-CG1 4.27Å; I312-V324 HydrophobicContact CD1-CB 4.31Å; I312-V324 HydrophobicContact CD1-CG1 3.9Å; I312-V324 HydrophobicContact CD1-CG2 3.67Å; I312-V324 HydrophobicContact CG1-CG1 4.04Å; I312-V324 HydrophobicContact CG1-CG2 3.72Å |
| 313 | S | 92.2 | Very high | 83.6 | Confident | 31 Ų | 31 | 98 Ų | 98 | 22% | 0.217 | 54% | 0.537 | C | S | . | . | trans | -111.1 | 125.9 | 167.5 | -173.6 | 0 | 0 | 0 | 0 | 110.2 | G316 K320 | S313-G316 PolarHBondContact OG-N 3.08Å; S313-G316 VanDerWaalsContact OG-N 3.09Å; S313-K320 WeakPolarHBondContact CB-O 3.25Å; S313-K320 PolarHBondContact OG-O 3.28Å | ||
| 314 | S | 87.8 | Confident | 85.3 | Confident | 121 Ų | 121 | 99.3 Ų | 99.3 | 85% | 0.846 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -78.3 | -22.4 | 176.2 | 52.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 315 | T | 87.6 | Confident | 86.8 | Confident | 77 Ų | 77 | 97.1 Ų | 97.1 | 47% | 0.472 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -108.4 | -28 | -170 | 36.8 | 0 | 0 | 0 | 0 | 112.6 | K317 D318 | T315-K317 WeakPolarHBondContact O-CG 3.46Å; T315-K317 PolarHBondContact O-N 2.95Å; T315-D318 PolarHBondContact OG1-OD1 3.2Å |
| 316 | G | 81.1 | Confident | 87.4 | Confident | 63 Ų | 63 | 96.3 Ų | 96.3 | 65% | 0.649 | 53% | 0.53 | S | S | * | . | S | Bend | trans | 63 | 7.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | S313 | S313-G316 PolarHBondContact OG-N 3.08Å; S313-G316 VanDerWaalsContact OG-N 3.09Å |
| 317 | K | 79.4 | Confident | 88 | Confident | 199 Ų | 199 | 97.9 Ų | 97.9 | 87% | 0.865 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -124.8 | -20.1 | -169.8 | -70.9 | 178.5 | -178.2 | 179.6 | 0 | 114.6 | T315 | T315-K317 WeakPolarHBondContact O-CG 3.46Å; T315-K317 PolarHBondContact O-N 2.95Å |
| 318 | D | 81.4 | Confident | 88.3 | Confident | 67 Ų | 67 | 99.2 Ų | 99.2 | 36% | 0.358 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -111.8 | 8 | -172 | 62 | -28.4 | 0 | 0 | 0 | 113.5 | T315 K320 | T315-D318 PolarHBondContact OG1-OD1 3.2Å; D318-K320 HydrophobicContact CB-CG 4.32Å; D318-K320 PolarHBondContact O-N 2.81Å; D318-K320 WeakPolarHBondContact OD2-CD 3.47Å; D318-K320 WeakPolarHBondContact OD2-CE 3.39Å; D318-K320 VanDerWaalsContact OD2-CG 3.32Å; D318-K320 WeakPolarHBondContact OD2-CG 3.33Å; D318-K320 IonicContact OD2-NZ 3.08Å; D318-K320 PolarHBondContact OD2-NZ 3.5Å |
| 319 | G | 86.9 | Confident | 88.3 | Confident | 55 Ų | 55 | 100.5 Ų | 100.5 | 57% | 0.567 | 55% | 0.546 | S | S | * | . | trans | 63 | 12.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y321 | G319-Y321 WeakPolarHBondContact O-CD2 3.37Å; G319-Y321 VanDerWaalsContact O-CE2 3.31Å; G319-Y321 WeakPolarHBondContact O-CE2 3.23Å | ||
| 320 | K | 91.4 | Very high | 88 | Confident | 143 Ų | 143 | 99.6 Ų | 99.6 | 62% | 0.622 | 55% | 0.547 | S | S | * | . | trans | -89.8 | 121.8 | 179.3 | -62.4 | -171.7 | -158 | 137.3 | 0 | 109.7 | S313 D318 | S313-K320 WeakPolarHBondContact CB-O 3.25Å; S313-K320 PolarHBondContact OG-O 3.28Å; D318-K320 HydrophobicContact CB-CG 4.32Å; D318-K320 PolarHBondContact O-N 2.81Å; D318-K320 WeakPolarHBondContact OD2-CD 3.47Å; D318-K320 WeakPolarHBondContact OD2-CE 3.39Å; D318-K320 VanDerWaalsContact OD2-CG 3.32Å; D318-K320 WeakPolarHBondContact OD2-CG 3.33Å; D318-K320 IonicContact OD2-NZ 3.08Å; D318-K320 PolarHBondContact OD2-NZ 3.5Å | ||
| 321 | Y | 93.6 | Very high | 87.7 | Confident | 143 Ų | 143 | 104.2 Ų | 104.2 | 56% | 0.561 | 57% | 0.571 | S | S | * | * | trans | -122.6 | 152.4 | 177.4 | -57.3 | -91 | 0 | 0 | 0 | 110.5 | L311 I312 G319 | L311-Y321 HydrophobicContact CB-CD1 4.38Å; L311-Y321 HydrophobicContact CB-CG 4.4Å; I312-Y321 CarbonylContact O-C 3.57Å; I312-Y321 WeakPolarHBondContact O-CA 3.38Å; G319-Y321 WeakPolarHBondContact O-CD2 3.37Å; G319-Y321 VanDerWaalsContact O-CE2 3.31Å; G319-Y321 WeakPolarHBondContact O-CE2 3.23Å | ||
| 322 | K | 92.3 | Very high | 87.4 | Confident | 165 Ų | 165 | 105.2 Ų | 105.2 | 72% | 0.717 | 58% | 0.578 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -119.2 | 133.7 | 171.4 | -65 | -177.5 | 179.5 | -178.7 | 0 | 109.1 | L311 I312 | L311-K322 CarbonylContact C-O 3.6Å; L311-K322 WeakPolarHBondContact CA-O 3.11Å; I312-K322 PolarHBondContact N-O 3.45Å; I312-K322 PolarHBondContact O-N 2.85Å |
| 323 | S | 92.2 | Very high | 87 | Confident | 59 Ų | 59 | 106.3 Ų | 106.3 | 41% | 0.413 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -69.6 | 131.6 | 174.5 | -167.5 | 0 | 0 | 0 | 0 | 109.5 | E309 V310 V326 | E309-S323 WeakPolarHBondContact OE1-CB 3.31Å; E309-S323 PolarHBondContact OE1-OG 3.27Å; V310-S323 WeakPolarHBondContact O-CA 3.34Å; S323-V326 WeakPolarHBondContact OG-CG2 3.35Å |
| 324 | V | 90.6 | Very high | 86.6 | Confident | 85 Ų | 85 | 112.1 Ų | 112.1 | 52% | 0.515 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.6 | -12 | -179.6 | -62.8 | 0 | 0 | 0 | 0 | 113 | V310 I312 | V310-V324 HydrophobicContact CB-CG2 3.92Å; V310-V324 HydrophobicContact CG1-CG2 3.74Å; V310-V324 WeakPolarHBondContact O-CG2 3.37Å; V310-V324 PolarHBondContact O-N 3.42Å; I312-V324 HydrophobicContact CB-CG1 4.27Å; I312-V324 HydrophobicContact CD1-CB 4.31Å; I312-V324 HydrophobicContact CD1-CG1 3.9Å; I312-V324 HydrophobicContact CD1-CG2 3.67Å; I312-V324 HydrophobicContact CG1-CG1 4.04Å; I312-V324 HydrophobicContact CG1-CG2 3.72Å |
| 325 | Y | 86.2 | Confident | 86.5 | Confident | 139 Ų | 139 | 111.3 Ų | 111.3 | 55% | 0.545 | 60% | 0.595 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -154.4 | 136.2 | 176.8 | -174.8 | -91.1 | 0 | 0 | 0 | 108.8 | Y308 E309 V310 | Y308-Y325 WeakPolarHBondContact O-CD1 3.4Å; E309-Y325 CarbonylContact C-O 3.58Å; E309-Y325 VanDerWaalsContact CA-O 3.31Å; E309-Y325 WeakPolarHBondContact CA-O 3.29Å; V310-Y325 HydrophobicContact CG2-CD1 4.31Å; V310-Y325 HydrophobicContact CG2-CG 4.49Å; V310-Y325 PolarHBondContact N-O 3.4Å |
| 326 | V | 75.8 | Confident | 86.4 | Confident | 141 Ų | 141 | 114.5 Ų | 114.5 | 86% | 0.855 | 61% | 0.606 | S | S | * | * | trans | -139 | 0 | 178.9 | -177 | 0 | 0 | 0 | 0 | 108.4 | E309 S323 | E309-V326 HydrophobicContact CG-CG2 4.31Å; S323-V326 WeakPolarHBondContact OG-CG2 3.35Å |
Retrieved 326 of 326 residues in 146.9 ms
(Link to these results)