| 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 | 41.2 | Very low | 51.8 | Low | 247 Ų | 247 | 135.8 Ų | 135.8 | 100% | 1.217 | 82% | 0.819 | S | S | * | * | 0 | 86.9 | 0 | -75.3 | -72.7 | 175.3 | 0 | 0 | 107.9 | |||||
| 2 | G | 46.6 | Very low | 51.9 | Low | 66 Ų | 66 | 131.3 Ų | 131.3 | 68% | 0.68 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -92 | 145.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | L4 | G2-L4 PolarHBondContact O-N 2.99Š|
| 3 | P | 58.2 | Low | 52.5 | Low | 135 Ų | 135 | 134.2 Ų | 134.2 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 123.2 | -179 | 27.8 | -31.9 | 0 | 0 | 0 | 110.8 | S5 | P3-S5 PolarHBondContact O-N 2.83Š|
| 4 | L | 50.7 | Low | 53.2 | Low | 167 Ų | 167 | 134.9 Ų | 134.9 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 120.7 | 172.9 | -78 | 134 | 0 | 0 | 0 | 110.2 | G2 K6 | G2-L4 PolarHBondContact O-N 2.99Å; L4-K6 PolarHBondContact O-N 3.03Å |
| 5 | S | 52.7 | Low | 53.8 | Low | 118 Ų | 118 | 136.5 Ų | 136.5 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | -64.3 | 113 | 170.8 | 44.8 | 0 | 0 | 0 | 0 | 109.6 | P3 S7 | P3-S5 PolarHBondContact O-N 2.83Å; S5-S7 PolarHBondContact O-N 2.77Å; S5-S7 VanDerWaalsContact O-N 3.09Å | ||
| 6 | K | 54.5 | Low | 54.3 | Low | 204 Ų | 204 | 136.9 Ų | 136.9 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | trans | -71.1 | 101.8 | 173.4 | -73.6 | 173.9 | 179.2 | 172.9 | 0 | 108.5 | L4 Q8 | L4-K6 PolarHBondContact O-N 3.03Å; K6-Q8 PolarHBondContact O-N 3.17Å | ||
| 7 | S | 53.4 | Low | 55.3 | Low | 115 Ų | 115 | 138.2 Ų | 138.2 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -63.3 | 120.8 | 165.3 | 46.4 | 0 | 0 | 0 | 0 | 108.8 | S5 A9 | S5-S7 PolarHBondContact O-N 2.77Å; S5-S7 VanDerWaalsContact O-N 3.09Å; S7-A9 PolarHBondContact O-N 3.42Å | ||
| 8 | Q | 51.2 | Low | 56.1 | Low | 192 Ų | 192 | 142.2 Ų | 142.2 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | trans | -74 | 96.1 | 177.8 | -166.4 | 169.7 | 47.2 | 0 | 0 | 108.2 | K6 V10 | K6-Q8 PolarHBondContact O-N 3.17Å; Q8-V10 PolarHBondContact O-N 3Å | ||
| 9 | A | 53.8 | Low | 57.4 | Low | 91 Ų | 91 | 141.3 Ų | 141.3 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | trans | -66.7 | 117 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | S7 G11 | S7-A9 PolarHBondContact O-N 3.42Å; A9-G11 PolarHBondContact O-N 3.17Å | ||
| 10 | V | 54.9 | Low | 58.2 | Low | 105 Ų | 105 | 142.4 Ų | 142.4 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | trans | -63.8 | 119.9 | 167.2 | 178 | 0 | 0 | 0 | 0 | 107.2 | Q8 S12 | Q8-V10 PolarHBondContact O-N 3Å; V10-S12 PolarHBondContact O-N 3.3Å | ||
| 11 | G | 52.3 | Low | 59.2 | Low | 54 Ų | 54 | 140.1 Ų | 140.1 | 56% | 0.557 | 76% | 0.764 | S | S | * | * | trans | -65.8 | 95.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A9 K13 | A9-G11 PolarHBondContact O-N 3.17Å; G11-K13 PolarHBondContact O-N 3.5Å | ||
| 12 | S | 53.7 | Low | 60.4 | Low | 81 Ų | 81 | 131.8 Ų | 131.8 | 57% | 0.566 | 73% | 0.73 | S | S | * | * | trans | -84.3 | 93.1 | 167.5 | -62.1 | 0 | 0 | 0 | 0 | 109.7 | V10 | V10-S12 PolarHBondContact O-N 3.3Š| ||
| 13 | K | 59.8 | Low | 61.6 | Low | 170 Ų | 170 | 136.3 Ų | 136.3 | 74% | 0.739 | 74% | 0.738 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.9 | 111.4 | 168.8 | -99.7 | -176.6 | 176.1 | 175.8 | 0 | 109.5 | G11 K15 | G11-K13 PolarHBondContact O-N 3.5Å; K13-K15 PolarHBondContact O-N 3.45Å |
| 14 | M | 61.9 | Low | 62.2 | Low | 144 Ų | 144 | 133.8 Ų | 133.8 | 71% | 0.709 | 72% | 0.723 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -73 | 121.5 | 170.3 | -65.3 | 171.9 | 71.3 | 0 | 0 | 109.2 | ||
| 15 | K | 61.6 | Low | 63.5 | Low | 158 Ų | 158 | 133.8 Ų | 133.8 | 69% | 0.687 | 72% | 0.721 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -133.8 | 120.7 | 162 | -72.7 | -172.9 | 177.5 | -172.6 | 0 | 106.8 | K13 | K13-K15 PolarHBondContact O-N 3.45Å |
| 16 | N | 62.7 | Low | 64.6 | Low | 144 Ų | 144 | 137.3 Ų | 137.3 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.1 | 52.2 | 173.7 | -47.5 | -33.1 | 0 | 0 | 0 | 114.6 | R18 | N16-R18 PolarHBondContact O-N 2.94Š|
| 17 | D | 70.3 | Confident | 65.8 | Low | 158 Ų | 158 | 130.6 Ų | 130.6 | 85% | 0.845 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53.9 | 7.4 | 175.3 | -57.5 | -40.8 | 0 | 0 | 0 | 116.8 | ||
| 18 | R | 70.1 | Confident | 67.4 | Low | 210 Ų | 210 | 127.3 Ų | 127.3 | 79% | 0.792 | 67% | 0.672 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.3 | 115.8 | 175.4 | -66.2 | -179.9 | -169 | -170.2 | 3 | 108.1 | N16 K20 | N16-R18 PolarHBondContact O-N 2.94Å; R18-K20 PolarHBondContact O-N 2.85Å |
| 19 | I | 81.5 | Confident | 69.1 | Low | 126 Ų | 126 | 121 Ų | 121 | 65% | 0.646 | 65% | 0.645 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -67.2 | 106.2 | 175.1 | -56.9 | 174.5 | 0 | 0 | 0 | 107.5 | V21 | I19-V21 HydrophobicContact CG2-CG2 3.71Å; I19-V21 PolarHBondContact O-N 3.06Å |
| 20 | K | 73.9 | Confident | 70.6 | Confident | 163 Ų | 163 | 126.4 Ų | 126.4 | 71% | 0.709 | 65% | 0.654 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.2 | 92.3 | 172 | -170.9 | 173 | -178.1 | 173 | 0 | 108.6 | R18 S22 | R18-K20 PolarHBondContact O-N 2.85Å; K20-S22 PolarHBondContact O-N 3.34Å |
| 21 | V | 77.6 | Confident | 72.2 | Confident | 94 Ų | 94 | 124.9 Ų | 124.9 | 57% | 0.57 | 66% | 0.66 | S | S | * | * | trans | -79.8 | 111.6 | 169.1 | -172.8 | 0 | 0 | 0 | 0 | 107.8 | I19 | I19-V21 HydrophobicContact CG2-CG2 3.71Å; I19-V21 PolarHBondContact O-N 3.06Å | ||
| 22 | S | 67.8 | Low | 73.8 | Confident | 72 Ų | 72 | 126.3 Ų | 126.3 | 50% | 0.503 | 66% | 0.658 | S | S | . | * | trans | -91.5 | 115.1 | 171.7 | 56.3 | 0 | 0 | 0 | 0 | 110 | K20 | K20-S22 PolarHBondContact O-N 3.34Š| ||
| 23 | L | 71.6 | Confident | 75.3 | Confident | 162 Ų | 162 | 125.2 Ų | 125.2 | 85% | 0.848 | 66% | 0.659 | S | S | * | * | trans | -80.4 | 128.6 | 172.3 | -72.2 | 131.2 | 0 | 0 | 0 | 109.9 | ||||
| 24 | S | 71 | Confident | 76.5 | Confident | 82 Ų | 82 | 123.3 Ų | 123.3 | 57% | 0.573 | 65% | 0.651 | S | S | * | * | trans | -94 | 125.7 | 174.9 | 64.2 | 0 | 0 | 0 | 0 | 111 | K26 | S24-K26 PolarHBondContact O-N 2.67Š| ||
| 25 | M | 76.4 | Confident | 77.6 | Confident | 167 Ų | 167 | 118.7 Ų | 118.7 | 82% | 0.823 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -70.4 | 9.5 | 175.5 | -78 | 156.7 | 55.7 | 0 | 0 | 114.7 | V27 | M25-V27 VanDerWaalsContact C-N 3.29Å; M25-V27 PolarHBondContact O-N 3.32Å |
| 26 | K | 76.2 | Confident | 78.7 | Confident | 192 Ų | 192 | 115.5 Ų | 115.5 | 84% | 0.835 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -67.5 | -30 | -174.1 | -70.5 | -177.9 | 178.6 | -179 | 0 | 113.3 | S24 | S24-K26 PolarHBondContact O-N 2.67Š|
| 27 | V | 81.1 | Confident | 79.8 | Confident | 63 Ų | 63 | 111.4 Ų | 111.4 | 38% | 0.382 | 60% | 0.597 | S | S | . | * | G | 310 helix | trans | -110.9 | 40.6 | -175.4 | -158.7 | 0 | 0 | 0 | 0 | 109 | M25 L36 D37 | M25-V27 VanDerWaalsContact C-N 3.29Å; M25-V27 PolarHBondContact O-N 3.32Å; V27-L36 VanDerWaalsContact CG1-C 3.45Å; V27-L36 HydrophobicContact CG1-CB 3.85Å; V27-L36 WeakPolarHBondContact O-CA 3.09Å; V27-L36 WeakPolarHBondContact O-CB 3.32Å; V27-L36 PolarHBondContact O-N 3.27Å; V27-D37 HydrophobicContact CG1-CB 4.41Å |
| 28 | V | 86.4 | Confident | 80.5 | Confident | 45 Ų | 45 | 108.1 Ų | 108.1 | 27% | 0.273 | 58% | 0.584 | S | S | . | * | B | Isolated β-bridge | trans | -122 | 139.8 | -179.6 | 179.8 | 0 | 0 | 0 | 0 | 108.6 | Q30 G33 K34 | V28-Q30 PolarHBondContact O-N 3.21Å; V28-G33 WeakPolarHBondContact CG1-O 3.21Å; V28-K34 CarbonylContact C-O 3.59Å; V28-K34 WeakPolarHBondContact CA-O 3.41Å |
| 29 | N | 86.5 | Confident | 81.3 | Confident | 60 Ų | 60 | 103.4 Ų | 103.4 | 32% | 0.321 | 58% | 0.575 | S | S | . | * | trans | -69.5 | 121.1 | 175.3 | -175.9 | -54.2 | 0 | 0 | 0 | 110.3 | G31 T32 G33 K34 L36 | N29-G31 VanDerWaalsContact C-N 3.28Å; N29-G31 PolarHBondContact O-N 3.25Å; N29-G31 PolarHBondContact OD1-N 3.02Å; N29-T32 WeakPolarHBondContact CB-OG1 3.32Å; N29-T32 PolarHBondContact O-N 3.19Å; N29-T32 PolarHBondContact OD1-N 3.08Å; N29-T32 VanDerWaalsContact OD1-N 3.16Å; N29-T32 PolarHBondContact OD1-OG1 3.31Å; N29-G33 WeakPolarHBondContact O-CA 3.45Å; N29-G33 PolarHBondContact O-N 3.07Å; N29-K34 HydrophobicContact CB-CB 4.47Å; N29-K34 PolarHBondContact N-O 3.09Å; N29-L36 HydrophobicContact CB-CD1 4.2Å; N29-L36 HydrophobicContact CB-CD2 4.26Å; N29-L36 HydrophobicContact CB-CG 4.23Å | ||
| 30 | Q | 84.6 | Confident | 81.3 | Confident | 204 Ų | 204 | 101 Ų | 101 | 95% | 0.953 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -24.7 | -173.3 | -62.3 | -177.4 | 15.3 | 0 | 0 | 114.4 | V28 | V28-Q30 PolarHBondContact O-N 3.21Š|
| 31 | G | 89.9 | Confident | 81.8 | Confident | 74 Ų | 74 | 95.8 Ų | 95.8 | 76% | 0.763 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -30.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | N29 | N29-G31 VanDerWaalsContact C-N 3.28Å; N29-G31 PolarHBondContact O-N 3.25Å; N29-G31 PolarHBondContact OD1-N 3.02Å |
| 32 | T | 84.4 | Confident | 82.2 | Confident | 84 Ų | 84 | 96.1 Ų | 96.1 | 52% | 0.515 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -9.7 | -173.3 | 57.3 | 0 | 0 | 0 | 0 | 113.8 | N29 K34 | N29-T32 WeakPolarHBondContact CB-OG1 3.32Å; N29-T32 PolarHBondContact O-N 3.19Å; N29-T32 PolarHBondContact OD1-N 3.08Å; N29-T32 VanDerWaalsContact OD1-N 3.16Å; N29-T32 PolarHBondContact OD1-OG1 3.31Å; T32-K34 PolarHBondContact O-N 3.4Å; T32-K34 VanDerWaalsContact O-N 3.13Å |
| 33 | G | 85.7 | Confident | 83 | Confident | 57 Ų | 57 | 97.5 Ų | 97.5 | 59% | 0.588 | 54% | 0.544 | S | S | * | . | trans | 65.8 | 8.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | V28 N29 | V28-G33 WeakPolarHBondContact CG1-O 3.21Å; N29-G33 WeakPolarHBondContact O-CA 3.45Å; N29-G33 PolarHBondContact O-N 3.07Å | ||
| 34 | K | 84.9 | Confident | 83.7 | Confident | 130 Ų | 130 | 93.7 Ų | 93.7 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | trans | -75 | 138.4 | -179.5 | -67.4 | -177.7 | -179.9 | -177.2 | 0 | 110.5 | V28 N29 T32 | V28-K34 CarbonylContact C-O 3.59Å; V28-K34 WeakPolarHBondContact CA-O 3.41Å; N29-K34 HydrophobicContact CB-CB 4.47Å; N29-K34 PolarHBondContact N-O 3.09Å; T32-K34 PolarHBondContact O-N 3.4Å; T32-K34 VanDerWaalsContact O-N 3.13Å | ||
| 35 | D | 85.6 | Confident | 84.3 | Confident | 47 Ų | 47 | 95.2 Ų | 95.2 | 25% | 0.251 | 52% | 0.52 | S | S | . | . | B | Isolated β-bridge | trans | -64.6 | 137.9 | 172.8 | -161.3 | 10.8 | 0 | 0 | 0 | 109.5 | D37 N40 V41 | D35-D37 PolarHBondContact OD1-N 3.11Å; D35-N40 WeakPolarHBondContact OD2-CB 3.32Å; D35-N40 PolarHBondContact OD2-ND2 2.88Å; D35-V41 WeakPolarHBondContact O-CG2 3.36Å |
| 36 | L | 84.7 | Confident | 84.9 | Confident | 92 Ų | 92 | 90.8 Ų | 90.8 | 48% | 0.482 | 50% | 0.497 | S | S | . | . | trans | -109.5 | 1.9 | 175.3 | -60.4 | 175.8 | 0 | 0 | 0 | 110.6 | V27 N29 P38 | V27-L36 VanDerWaalsContact CG1-C 3.45Å; V27-L36 HydrophobicContact CG1-CB 3.85Å; V27-L36 WeakPolarHBondContact O-CA 3.09Å; V27-L36 WeakPolarHBondContact O-CB 3.32Å; V27-L36 PolarHBondContact O-N 3.27Å; N29-L36 HydrophobicContact CB-CD1 4.2Å; N29-L36 HydrophobicContact CB-CD2 4.26Å; N29-L36 HydrophobicContact CB-CG 4.23Å; L36-P38 VanDerWaalsContact O-CD 3.26Å; L36-P38 WeakPolarHBondContact O-CD 3.34Å | ||
| 37 | D | 85.3 | Confident | 85.3 | Confident | 58 Ų | 58 | 85.9 Ų | 85.9 | 31% | 0.31 | 48% | 0.477 | S | S | . | . | trans | -61.3 | 117.7 | 172.5 | -173 | -32.5 | 0 | 0 | 0 | 108.9 | V27 D35 N39 N40 V41 | V27-D37 HydrophobicContact CG1-CB 4.41Å; D35-D37 PolarHBondContact OD1-N 3.11Å; D37-N39 PolarHBondContact O-N 2.9Å; D37-N39 VanDerWaalsContact O-N 3.11Å; D37-N39 PolarHBondContact OD1-N 3.09Å; D37-N40 HydrophobicContact CB-CB 4.3Å; D37-N40 PolarHBondContact O-N 3.34Å; D37-N40 VanDerWaalsContact O-N 3.14Å; D37-V41 WeakPolarHBondContact O-CB 3.46Å; D37-V41 VanDerWaalsContact O-CG2 3.29Å; D37-V41 WeakPolarHBondContact O-CG2 2.99Å; D37-V41 PolarHBondContact O-N 3.14Å | ||
| 38 | P | 84.9 | Confident | 85.5 | Confident | 88 Ų | 88 | 90.1 Ų | 90.1 | 57% | 0.571 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -52.7 | -35.1 | -178.9 | -26.7 | 35.1 | 0 | 0 | 0 | 113.4 | L36 I42 | L36-P38 VanDerWaalsContact O-CD 3.26Å; L36-P38 WeakPolarHBondContact O-CD 3.34Å; P38-I42 WeakPolarHBondContact O-CB 3.03Å; P38-I42 WeakPolarHBondContact O-CD1 3.45Å; P38-I42 WeakPolarHBondContact O-CG1 3.35Å; P38-I42 PolarHBondContact O-N 3.05Å |
| 39 | N | 86.6 | Confident | 85.3 | Confident | 112 Ų | 112 | 96.4 Ų | 96.4 | 60% | 0.599 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -69.2 | -46.5 | -180 | -80.2 | -11.6 | 0 | 0 | 0 | 111.8 | D37 I42 I43 | D37-N39 PolarHBondContact O-N 2.9Å; D37-N39 VanDerWaalsContact O-N 3.11Å; D37-N39 PolarHBondContact OD1-N 3.09Å; N39-I42 PolarHBondContact O-N 3.02Å; N39-I43 WeakPolarHBondContact O-CD1 3.21Å; N39-I43 VanDerWaalsContact O-CG1 3.3Å; N39-I43 WeakPolarHBondContact O-CG1 3.31Å; N39-I43 PolarHBondContact O-N 2.72Å; N39-I43 VanDerWaalsContact O-N 3.15Å |
| 40 | N | 82.8 | Confident | 85.2 | Confident | 74 Ų | 74 | 102.5 Ų | 102.5 | 40% | 0.396 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -73.5 | -34.8 | -178.5 | -72.4 | -10.6 | 0 | 0 | 0 | 112.1 | D35 D37 I42 I43 E44 | D35-N40 WeakPolarHBondContact OD2-CB 3.32Å; D35-N40 PolarHBondContact OD2-ND2 2.88Å; D37-N40 HydrophobicContact CB-CB 4.3Å; D37-N40 PolarHBondContact O-N 3.34Å; D37-N40 VanDerWaalsContact O-N 3.14Å; N40-I42 VanDerWaalsContact C-N 3.31Å; N40-I42 PolarHBondContact O-N 2.9Å; N40-I43 PolarHBondContact O-N 2.94Å; N40-E44 WeakPolarHBondContact O-CB 3.28Å; N40-E44 PolarHBondContact O-N 2.76Å |
| 41 | V | 84.1 | Confident | 85.2 | Confident | 55 Ų | 55 | 100.4 Ų | 100.4 | 33% | 0.333 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 174.4 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | D35 D37 Q45 | D35-V41 WeakPolarHBondContact O-CG2 3.36Å; D37-V41 WeakPolarHBondContact O-CB 3.46Å; D37-V41 VanDerWaalsContact O-CG2 3.29Å; D37-V41 WeakPolarHBondContact O-CG2 2.99Å; D37-V41 PolarHBondContact O-N 3.14Å; V41-Q45 WeakPolarHBondContact O-CB 3.32Å; V41-Q45 PolarHBondContact O-N 3.02Å |
| 42 | I | 84.7 | Confident | 84.5 | Confident | 100 Ų | 100 | 101.9 Ų | 101.9 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64 | -45.1 | 176 | -69.2 | 164 | 0 | 0 | 0 | 110.6 | P38 N39 N40 Q45 E46 | P38-I42 WeakPolarHBondContact O-CB 3.03Å; P38-I42 WeakPolarHBondContact O-CD1 3.45Å; P38-I42 WeakPolarHBondContact O-CG1 3.35Å; P38-I42 PolarHBondContact O-N 3.05Å; N39-I42 PolarHBondContact O-N 3.02Å; N40-I42 VanDerWaalsContact C-N 3.31Å; N40-I42 PolarHBondContact O-N 2.9Å; I42-Q45 PolarHBondContact O-N 2.95Å; I42-E46 VanDerWaalsContact O-CB 3.27Å; I42-E46 WeakPolarHBondContact O-CB 3.34Å; I42-E46 PolarHBondContact O-N 3.17Å |
| 43 | I | 85.8 | Confident | 83.9 | Confident | 102 Ų | 102 | 105.7 Ų | 105.7 | 52% | 0.523 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.2 | -45.9 | 178.7 | -66.2 | 164.6 | 0 | 0 | 0 | 110.9 | N39 N40 Q45 E46 E47 | N39-I43 WeakPolarHBondContact O-CD1 3.21Å; N39-I43 VanDerWaalsContact O-CG1 3.3Å; N39-I43 WeakPolarHBondContact O-CG1 3.31Å; N39-I43 PolarHBondContact O-N 2.72Å; N39-I43 VanDerWaalsContact O-N 3.15Å; N40-I43 PolarHBondContact O-N 2.94Å; I43-Q45 PolarHBondContact O-N 3.14Å; I43-E46 PolarHBondContact O-N 2.95Å; I43-E47 VanDerWaalsContact O-CB 3.29Å; I43-E47 WeakPolarHBondContact O-CB 3.07Å; I43-E47 PolarHBondContact O-N 3.03Å |
| 44 | E | 85.3 | Confident | 83.4 | Confident | 81 Ų | 81 | 108.8 Ų | 108.8 | 38% | 0.379 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.8 | -40.1 | 179.2 | -164.6 | -157.2 | 148.7 | 0 | 0 | 111.4 | N40 E47 R48 | N40-E44 WeakPolarHBondContact O-CB 3.28Å; N40-E44 PolarHBondContact O-N 2.76Å; E44-E47 PolarHBondContact O-N 2.77Å; E44-R48 VanDerWaalsContact O-CB 3.28Å; E44-R48 WeakPolarHBondContact O-CB 3.39Å; E44-R48 PolarHBondContact O-N 3.04Å; E44-R48 IonicContact OE1-CZ 3.8Å; E44-R48 IonicContact OE1-NH1 2.81Å; E44-R48 PolarHBondContact OE1-NH1 2.75Å; E44-R48 IonicContact OE1-NH2 3.86Å |
| 45 | Q | 85.3 | Confident | 82.9 | Confident | 115 Ų | 115 | 107.4 Ų | 107.4 | 54% | 0.537 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.3 | -39.5 | 177 | -166.8 | -178.3 | 26 | 0 | 0 | 111.5 | V41 I42 I43 R49 | V41-Q45 WeakPolarHBondContact O-CB 3.32Å; V41-Q45 PolarHBondContact O-N 3.02Å; I42-Q45 PolarHBondContact O-N 2.95Å; I43-Q45 PolarHBondContact O-N 3.14Å; Q45-R49 WeakPolarHBondContact O-CB 3.48Å; Q45-R49 PolarHBondContact O-N 3.13Å |
| 46 | E | 87 | Confident | 82.1 | Confident | 73 Ų | 73 | 111.5 Ų | 111.5 | 34% | 0.341 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.4 | -43.1 | 173.8 | -173.6 | 178.6 | -177.4 | 0 | 0 | 111.2 | I42 I43 R49 R50 | I42-E46 VanDerWaalsContact O-CB 3.27Å; I42-E46 WeakPolarHBondContact O-CB 3.34Å; I42-E46 PolarHBondContact O-N 3.17Å; I43-E46 PolarHBondContact O-N 2.95Å; E46-R49 CarbonylContact O-C 3.54Å; E46-R49 WeakPolarHBondContact O-CB 3.26Å; E46-R49 PolarHBondContact O-N 3.48Å; E46-R49 VanDerWaalsContact O-N 3.13Å; E46-R50 HydrophobicContact CG-CG 4.45Å; E46-R50 WeakPolarHBondContact O-CB 3.36Å; E46-R50 WeakPolarHBondContact O-CG 3.41Å; E46-R50 PolarHBondContact O-N 3.25Å; E46-R50 IonicContact OE1-CZ 3.33Å; E46-R50 IonicContact OE1-NE 3.17Å; E46-R50 PolarHBondContact OE1-NE 3.21Å; E46-R50 VanDerWaalsContact OE1-NE 3.17Å; E46-R50 IonicContact OE1-NH2 2.71Å; E46-R50 PolarHBondContact OE1-NH2 3.33Å |
| 47 | E | 86.1 | Confident | 81.3 | Confident | 89 Ų | 89 | 113.2 Ų | 113.2 | 42% | 0.416 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.2 | -45 | 175.8 | -167.3 | -171.7 | 173.2 | 0 | 0 | 111 | I43 E44 R49 R50 R51 | I43-E47 VanDerWaalsContact O-CB 3.29Å; I43-E47 WeakPolarHBondContact O-CB 3.07Å; I43-E47 PolarHBondContact O-N 3.03Å; E44-E47 PolarHBondContact O-N 2.77Å; E47-R49 VanDerWaalsContact C-N 3.25Å; E47-R49 PolarHBondContact O-N 3.43Å; E47-R50 CarbonylContact O-C 3.57Å; E47-R50 PolarHBondContact O-N 3.32Å; E47-R50 VanDerWaalsContact O-N 3.1Å; E47-R51 VanDerWaalsContact CD-NH2 3.27Å; E47-R51 WeakPolarHBondContact O-CG 3.09Å; E47-R51 PolarHBondContact O-N 3.48Å; E47-R51 IonicContact OE1-CZ 3.47Å; E47-R51 IonicContact OE1-NE 3.48Å; E47-R51 PolarHBondContact OE1-NE 2.84Å; E47-R51 IonicContact OE1-NH2 2.69Å; E47-R51 PolarHBondContact OE1-NH2 3.22Å; E47-R51 IonicContact OE2-NH2 3.63Å |
| 48 | R | 84.7 | Confident | 80.3 | Confident | 152 Ų | 152 | 113.4 Ų | 113.4 | 57% | 0.574 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61 | -34.8 | 173.5 | -179.3 | 174.1 | -90.5 | 105.2 | -4.7 | 111.9 | E44 | E44-R48 VanDerWaalsContact O-CB 3.28Å; E44-R48 WeakPolarHBondContact O-CB 3.39Å; E44-R48 PolarHBondContact O-N 3.04Å; E44-R48 IonicContact OE1-CZ 3.8Å; E44-R48 IonicContact OE1-NH1 2.81Å; E44-R48 PolarHBondContact OE1-NH1 2.75Å; E44-R48 IonicContact OE1-NH2 3.86Å |
| 49 | R | 83.1 | Confident | 79.6 | Confident | 178 Ų | 178 | 115.3 Ų | 115.3 | 67% | 0.672 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -71.7 | -34 | 174.3 | -165.3 | -170.6 | -57.5 | 133.2 | 2.7 | 112.2 | Q45 E46 E47 | Q45-R49 WeakPolarHBondContact O-CB 3.48Å; Q45-R49 PolarHBondContact O-N 3.13Å; E46-R49 CarbonylContact O-C 3.54Å; E46-R49 WeakPolarHBondContact O-CB 3.26Å; E46-R49 PolarHBondContact O-N 3.48Å; E46-R49 VanDerWaalsContact O-N 3.13Å; E47-R49 VanDerWaalsContact C-N 3.25Å; E47-R49 PolarHBondContact O-N 3.43Å |
| 50 | R | 84.2 | Confident | 78.7 | Confident | 187 Ų | 187 | 119.1 Ų | 119.1 | 71% | 0.706 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -75.5 | -25.9 | 176.5 | -73.9 | -179.2 | -176.9 | -156 | 4.8 | 112.8 | E46 E47 S52 | E46-R50 HydrophobicContact CG-CG 4.45Å; E46-R50 WeakPolarHBondContact O-CB 3.36Å; E46-R50 WeakPolarHBondContact O-CG 3.41Å; E46-R50 PolarHBondContact O-N 3.25Å; E46-R50 IonicContact OE1-CZ 3.33Å; E46-R50 IonicContact OE1-NE 3.17Å; E46-R50 PolarHBondContact OE1-NE 3.21Å; E46-R50 VanDerWaalsContact OE1-NE 3.17Å; E46-R50 IonicContact OE1-NH2 2.71Å; E46-R50 PolarHBondContact OE1-NH2 3.33Å; E47-R50 CarbonylContact O-C 3.57Å; E47-R50 PolarHBondContact O-N 3.32Å; E47-R50 VanDerWaalsContact O-N 3.1Å; R50-S52 VanDerWaalsContact C-N 3.34Å; R50-S52 PolarHBondContact O-N 2.69Å |
| 51 | R | 83.8 | Confident | 78.2 | Confident | 160 Ų | 160 | 122.5 Ų | 122.5 | 60% | 0.604 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -69.1 | 93 | 169.1 | -70.5 | 171.9 | -170.9 | -173.2 | 4.1 | 108.2 | E47 | E47-R51 VanDerWaalsContact CD-NH2 3.27Å; E47-R51 WeakPolarHBondContact O-CG 3.09Å; E47-R51 PolarHBondContact O-N 3.48Å; E47-R51 IonicContact OE1-CZ 3.47Å; E47-R51 IonicContact OE1-NE 3.48Å; E47-R51 PolarHBondContact OE1-NE 2.84Å; E47-R51 IonicContact OE1-NH2 2.69Å; E47-R51 PolarHBondContact OE1-NH2 3.22Å; E47-R51 IonicContact OE2-NH2 3.63Å |
| 52 | S | 74.6 | Confident | 77.3 | Confident | 106 Ų | 106 | 125 Ų | 125 | 74% | 0.741 | 60% | 0.601 | S | S | * | * | trans | -58.7 | 137.5 | 167.5 | 52.9 | 0 | 0 | 0 | 0 | 109.2 | R50 Q54 | R50-S52 VanDerWaalsContact C-N 3.34Å; R50-S52 PolarHBondContact O-N 2.69Å; S52-Q54 PolarHBondContact O-N 3.09Å | ||
| 53 | F | 73.1 | Confident | 76.3 | Confident | 164 Ų | 164 | 127 Ų | 127 | 72% | 0.719 | 61% | 0.612 | S | S | * | * | trans | -55.4 | 123.9 | 173.3 | -178.4 | -113.3 | 0 | 0 | 0 | 109.2 | D55 | F53-D55 WeakPolarHBondContact CD1-OD1 3.29Å; F53-D55 WeakPolarHBondContact CE1-OD1 3.49Å; F53-D55 PolarHBondContact O-N 3.39Å; F53-D55 VanDerWaalsContact O-N 3.09Å | ||
| 54 | Q | 74.4 | Confident | 75 | Confident | 121 Ų | 121 | 129.8 Ų | 129.8 | 57% | 0.565 | 62% | 0.623 | S | S | * | * | trans | -79.7 | 94.8 | 175.7 | -168.1 | 167.9 | 8.7 | 0 | 0 | 107.5 | S52 Y56 | S52-Q54 PolarHBondContact O-N 3.09Å; Q54-Y56 HydrophobicContact CB-CE2 4.11Å; Q54-Y56 HydrophobicContact CG-CE1 4.1Å; Q54-Y56 HydrophobicContact CG-CE2 4.12Å; Q54-Y56 WeakPolarHBondContact O-CD2 3.49Å; Q54-Y56 PolarHBondContact O-N 3.36Å; Q54-Y56 PolarHBondContact OE1-OH 3.16Å | ||
| 55 | D | 75.1 | Confident | 73.7 | Confident | 101 Ų | 101 | 130 Ų | 130 | 54% | 0.54 | 64% | 0.639 | S | S | . | * | trans | -66.6 | 92.6 | 173.8 | -78.9 | -52.8 | 0 | 0 | 0 | 109.8 | F53 T57 | F53-D55 WeakPolarHBondContact CD1-OD1 3.29Å; F53-D55 WeakPolarHBondContact CE1-OD1 3.49Å; F53-D55 PolarHBondContact O-N 3.39Å; F53-D55 VanDerWaalsContact O-N 3.09Å; D55-T57 PolarHBondContact O-N 3.45Å; D55-T57 VanDerWaalsContact O-N 3.17Å | ||
| 56 | Y | 68.5 | Low | 72.6 | Confident | 134 Ų | 134 | 128.4 Ų | 128.4 | 53% | 0.525 | 64% | 0.636 | S | S | . | * | G | 310 helix | trans | -69.5 | -1.5 | 170.8 | -64.4 | -78.8 | 0 | 0 | 0 | 112.9 | Q54 G58 Q59 | Q54-Y56 HydrophobicContact CB-CE2 4.11Å; Q54-Y56 HydrophobicContact CG-CE1 4.1Å; Q54-Y56 HydrophobicContact CG-CE2 4.12Å; Q54-Y56 WeakPolarHBondContact O-CD2 3.49Å; Q54-Y56 PolarHBondContact O-N 3.36Å; Q54-Y56 PolarHBondContact OE1-OH 3.16Å; Y56-G58 PolarHBondContact O-N 2.99Å; Y56-G58 VanDerWaalsContact O-N 3.14Å; Y56-Q59 PolarHBondContact O-N 3.25Å |
| 57 | T | 67.5 | Low | 71.4 | Confident | 127 Ų | 127 | 128.8 Ų | 128.8 | 78% | 0.779 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -60.4 | -18.4 | 172.5 | 58.1 | 0 | 0 | 0 | 0 | 112.8 | D55 | D55-T57 PolarHBondContact O-N 3.45Å; D55-T57 VanDerWaalsContact O-N 3.17Å |
| 58 | G | 63.8 | Low | 70.7 | Confident | 63 Ų | 63 | 132.3 Ų | 132.3 | 65% | 0.649 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -84.5 | -16.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115 | Y56 K60 | Y56-G58 PolarHBondContact O-N 2.99Å; Y56-G58 VanDerWaalsContact O-N 3.14Å; G58-K60 VanDerWaalsContact C-N 3.3Å; G58-K60 PolarHBondContact O-N 2.81Å |
| 59 | Q | 70.3 | Confident | 70.4 | Confident | 128 Ų | 128 | 126.9 Ų | 126.9 | 60% | 0.598 | 65% | 0.646 | S | S | * | * | trans | -82.3 | 82.7 | 172.9 | -68.8 | -177.3 | 0.4 | 0 | 0 | 108.2 | Y56 I61 | Y56-Q59 PolarHBondContact O-N 3.25Å; Q59-I61 PolarHBondContact O-N 3.17Å | ||
| 60 | K | 68.4 | Low | 70.3 | Confident | 191 Ų | 191 | 122.7 Ų | 122.7 | 83% | 0.83 | 64% | 0.64 | S | S | * | * | trans | -57 | 107.6 | 166.5 | -66.6 | -178.5 | -178.8 | -176.9 | 0 | 107 | G58 T62 | G58-K60 VanDerWaalsContact C-N 3.3Å; G58-K60 PolarHBondContact O-N 2.81Å; K60-T62 VanDerWaalsContact C-N 3.34Å; K60-T62 PolarHBondContact O-N 3.01Å | ||
| 61 | I | 72.8 | Confident | 70.2 | Confident | 145 Ų | 145 | 113.9 Ų | 113.9 | 74% | 0.744 | 61% | 0.607 | S | S | * | * | trans | -60.1 | 104 | 168.6 | -60.7 | 168.3 | 0 | 0 | 0 | 105.1 | Q59 L63 | Q59-I61 PolarHBondContact O-N 3.17Å; I61-L63 HydrophobicContact CG2-CD2 3.95Å; I61-L63 HydrophobicContact CG2-CG 4.49Å; I61-L63 PolarHBondContact O-N 3.38Å | ||
| 62 | T | 65.8 | Low | 70.2 | Confident | 109 Ų | 109 | 115.8 Ų | 115.8 | 67% | 0.669 | 62% | 0.62 | S | S | * | * | trans | -66.7 | 106.4 | 166.3 | 48.3 | 0 | 0 | 0 | 0 | 105.1 | K60 E64 | K60-T62 VanDerWaalsContact C-N 3.34Å; K60-T62 PolarHBondContact O-N 3.01Å; T62-E64 PolarHBondContact O-N 2.76Å | ||
| 63 | L | 63.3 | Low | 70.4 | Confident | 140 Ų | 140 | 115.9 Ų | 115.9 | 73% | 0.733 | 61% | 0.607 | S | S | * | * | trans | -70.6 | 55 | 167.7 | -63.8 | 174.5 | 0 | 0 | 0 | 108.4 | I61 A65 V66 | I61-L63 HydrophobicContact CG2-CD2 3.95Å; I61-L63 HydrophobicContact CG2-CG 4.49Å; I61-L63 PolarHBondContact O-N 3.38Å; L63-A65 PolarHBondContact O-N 2.81Å; L63-V66 PolarHBondContact O-N 2.93Å; L63-V66 VanDerWaalsContact O-N 3.14Å | ||
| 64 | E | 58.2 | Low | 70.7 | Confident | 162 Ų | 162 | 109.9 Ų | 109.9 | 76% | 0.757 | 59% | 0.585 | S | S | * | * | trans | -72.3 | -12.6 | 175.6 | -163.3 | 176.4 | 177.5 | 0 | 0 | 110.8 | T62 V66 | T62-E64 PolarHBondContact O-N 2.76Å; E64-V66 PolarHBondContact O-N 3.2Å; E64-V66 VanDerWaalsContact O-N 3.09Å | ||
| 65 | A | 57.1 | Low | 70.9 | Confident | 86 Ų | 86 | 106.6 Ų | 106.6 | 71% | 0.711 | 58% | 0.584 | S | S | * | * | trans | -78.9 | 39.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L63 L67 | L63-A65 PolarHBondContact O-N 2.81Å; A65-L67 PolarHBondContact O-N 3.35Å | ||
| 66 | V | 62.2 | Low | 70.9 | Confident | 81 Ų | 81 | 105.2 Ų | 105.2 | 49% | 0.491 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -62.7 | 90.9 | 139.8 | 175.8 | 0 | 0 | 0 | 0 | 103.3 | L63 E64 N68 | L63-V66 PolarHBondContact O-N 2.93Å; L63-V66 VanDerWaalsContact O-N 3.14Å; E64-V66 PolarHBondContact O-N 3.2Å; E64-V66 VanDerWaalsContact O-N 3.09Å; V66-N68 PolarHBondContact O-N 3.49Å; V66-N68 VanDerWaalsContact O-N 3.08Å |
| 67 | L | 62.3 | Low | 71.5 | Confident | 80 Ų | 80 | 106.6 Ų | 106.6 | 42% | 0.419 | 59% | 0.59 | S | S | . | * | trans | -38.5 | 123.7 | -174.5 | -69.3 | 157 | 0 | 0 | 0 | 108.3 | A65 T69 G78 F80 | A65-L67 PolarHBondContact O-N 3.35Å; L67-T69 HydrophobicContact CB-CG2 4.15Å; L67-T69 VanDerWaalsContact CB-OG1 3.32Å; L67-T69 WeakPolarHBondContact CB-OG1 3.3Å; L67-T69 PolarHBondContact O-N 2.86Å; L67-T69 PolarHBondContact O-OG1 2.85Å; L67-G78 PolarHBondContact O-N 3.28Å; L67-F80 HydrophobicContact CD1-CD2 4.28Å; L67-F80 HydrophobicContact CD1-CE2 3.67Å; L67-F80 HydrophobicContact CD1-CZ 4.29Å | ||
| 68 | N | 71.1 | Confident | 72.2 | Confident | 163 Ų | 163 | 101.9 Ų | 101.9 | 87% | 0.872 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -62.8 | 23.1 | 175.4 | -72.7 | -36.6 | 0 | 0 | 0 | 112.3 | V66 | V66-N68 PolarHBondContact O-N 3.49Å; V66-N68 VanDerWaalsContact O-N 3.08Å |
| 69 | T | 78.3 | Confident | 73.1 | Confident | 39 Ų | 39 | 101.1 Ų | 101.1 | 24% | 0.239 | 55% | 0.546 | C | S | . | . | P | Polyproline II helix | trans | -91 | 126.7 | 173.2 | 60.8 | 0 | 0 | 0 | 0 | 108.2 | L67 G78 F80 | L67-T69 HydrophobicContact CB-CG2 4.15Å; L67-T69 VanDerWaalsContact CB-OG1 3.32Å; L67-T69 WeakPolarHBondContact CB-OG1 3.3Å; L67-T69 PolarHBondContact O-N 2.86Å; L67-T69 PolarHBondContact O-OG1 2.85Å; T69-G78 PolarHBondContact O-N 3.27Å; T69-G78 VanDerWaalsContact O-N 3.07Å; T69-F80 HydrophobicContact CG2-CD1 4.44Å; T69-F80 HydrophobicContact CG2-CE1 3.62Å; T69-F80 HydrophobicContact CG2-CZ 3.88Å |
| 70 | T | 81 | Confident | 73.7 | Confident | 89 Ų | 89 | 99.9 Ų | 99.9 | 55% | 0.546 | 54% | 0.538 | S | S | . | . | B | Isolated β-bridge | trans | -86.6 | 134.6 | 167.5 | 46.9 | 0 | 0 | 0 | 0 | 109.1 | K72 K77 | T70-K72 PolarHBondContact O-N 3.1Å; T70-K77 HydrophobicContact CG2-CG 3.86Å |
| 71 | C | 83.9 | Confident | 74.3 | Confident | 3 Ų | 3 | 92.3 Ų | 92.3 | 2% | 0.02 | 51% | 0.511 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 128.1 | 175.3 | 178.2 | 0 | 0 | 0 | 0 | 110.4 | K73 G75 C76 H79 C84 | C71-K73 PolarHBondContact O-N 2.73Å; C71-K73 PolarHBondContact SG-N 2.91Å; C71-G75 WeakPolarHBondContact O-CA 3.21Å; C71-G75 PolarHBondContact O-N 3.11Å; C71-C76 PolarHBondContact N-O 2.96Å; C71-H79 VanDerWaalsContact CB-NE2 3.34Å; C71-H79 WeakPolarHBondContact CB-NE2 3.37Å; C71-H79 WeakPolarHBondContact CB-O 3.27Å; C71-H79 PolarHBondContact SG-NE2 3.15Å; C71-C84 VanDerWaalsContact SG-CB 3.51Å |
| 72 | K | 82.9 | Confident | 74.7 | Confident | 200 Ų | 200 | 94.7 Ų | 94.7 | 87% | 0.87 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -16.9 | 176.7 | -63.5 | -173.4 | 179.6 | -174.9 | 0 | 114.1 | T70 A81 | T70-K72 PolarHBondContact O-N 3.1Å; K72-A81 HydrophobicContact CB-CB 4.39Å |
| 73 | K | 78.9 | Confident | 75.3 | Confident | 108 Ų | 108 | 94.3 Ų | 94.3 | 47% | 0.47 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -37.3 | -178.8 | -70.9 | 179.5 | 179.8 | 172.8 | 0 | 113.4 | C71 A81 C84 | C71-K73 PolarHBondContact O-N 2.73Å; C71-K73 PolarHBondContact SG-N 2.91Å; K73-A81 HydrophobicContact CD-CB 4.38Å; K73-A81 WeakPolarHBondContact CD-O 3.33Å; K73-A81 WeakPolarHBondContact CE-O 3.29Å; K73-A81 HydrophobicContact CG-CB 4.16Å; K73-A81 PolarHBondContact NZ-O 2.92Å; K73-C84 HydrophobicContact CB-CB 4.18Å; K73-C84 HydrophobicContact CD-CB 3.97Å |
| 74 | C | 79.2 | Confident | 76.2 | Confident | 37 Ų | 37 | 88.2 Ų | 88.2 | 25% | 0.25 | 48% | 0.479 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.8 | -4.6 | -177 | 72.8 | 0 | 0 | 0 | 0 | 114.5 | C76 H79 M86 | C74-C76 PolarHBondContact O-N 3.14Å; C74-C76 VanDerWaalsContact SG-SG 3.66Å; C74-H79 PolarHBondContact SG-CE1 3.27Å; C74-H79 PolarHBondContact SG-NE2 3.46Å; C74-M86 HydrophobicContact CB-CG 4.07Å; C74-M86 HydrophobicContact CB-SD 3.87Å |
| 75 | G | 78.2 | Confident | 77 | Confident | 53 Ų | 53 | 90.4 Ų | 90.4 | 55% | 0.546 | 49% | 0.486 | S | S | . | . | trans | 72.3 | -8.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | C71 | C71-G75 WeakPolarHBondContact O-CA 3.21Å; C71-G75 PolarHBondContact O-N 3.11Å | ||
| 76 | C | 76.1 | Confident | 77.5 | Confident | 71 Ų | 71 | 90.3 Ų | 90.3 | 48% | 0.48 | 47% | 0.472 | S | S | . | . | trans | -69.7 | 143.3 | 178 | -53.7 | 0 | 0 | 0 | 0 | 111.2 | C71 C74 | C71-C76 PolarHBondContact N-O 2.96Å; C74-C76 PolarHBondContact O-N 3.14Å; C74-C76 VanDerWaalsContact SG-SG 3.66Å | ||
| 77 | K | 80.6 | Confident | 78 | Confident | 164 Ų | 164 | 93.5 Ų | 93.5 | 71% | 0.713 | 48% | 0.482 | S | S | * | . | B | Isolated β-bridge | trans | -76.4 | 148.3 | 174.4 | -65.9 | 179.6 | -179.6 | -174.2 | 0 | 110.2 | T70 | T70-K77 HydrophobicContact CG2-CG 3.86Å |
| 78 | G | 81.8 | Confident | 78.1 | Confident | 27 Ų | 27 | 95.6 Ų | 95.6 | 28% | 0.278 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.9 | 2.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | L67 T69 | L67-G78 PolarHBondContact O-N 3.28Å; T69-G78 PolarHBondContact O-N 3.27Å; T69-G78 VanDerWaalsContact O-N 3.07Å |
| 79 | H | 82.8 | Confident | 77.8 | Confident | 48 Ų | 48 | 91.9 Ų | 91.9 | 22% | 0.222 | 50% | 0.501 | C | S | . | . | trans | -148.7 | 158 | 171.4 | 69.2 | -83.7 | 0 | 0 | 0 | 113.1 | C71 C74 C84 | C71-H79 VanDerWaalsContact CB-NE2 3.34Å; C71-H79 WeakPolarHBondContact CB-NE2 3.37Å; C71-H79 WeakPolarHBondContact CB-O 3.27Å; C71-H79 PolarHBondContact SG-NE2 3.15Å; C74-H79 PolarHBondContact SG-CE1 3.27Å; C74-H79 PolarHBondContact SG-NE2 3.46Å; H79-C84 WeakPolarHBondContact NE2-CB 3.41Å; H79-C84 PolarHBondContact NE2-SG 2.85Å | ||
| 80 | F | 82.7 | Confident | 77 | Confident | 101 Ų | 101 | 91.3 Ų | 91.3 | 44% | 0.443 | 50% | 0.503 | S | S | . | . | trans | -84.3 | 156.9 | 174.9 | -69.2 | -71.8 | 0 | 0 | 0 | 112 | L67 T69 K82 D83 C84 | L67-F80 HydrophobicContact CD1-CD2 4.28Å; L67-F80 HydrophobicContact CD1-CE2 3.67Å; L67-F80 HydrophobicContact CD1-CZ 4.29Å; T69-F80 HydrophobicContact CG2-CD1 4.44Å; T69-F80 HydrophobicContact CG2-CE1 3.62Å; T69-F80 HydrophobicContact CG2-CZ 3.88Å; F80-K82 PolarHBondContact O-N 3.18Å; F80-D83 PolarHBondContact O-N 2.81Å; F80-C84 PolarHBondContact O-N 3.45Å | ||
| 81 | A | 82.4 | Confident | 75.9 | Confident | 32 Ų | 32 | 91.9 Ų | 91.9 | 26% | 0.264 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -18.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | K72 K73 | K72-A81 HydrophobicContact CB-CB 4.39Å; K73-A81 HydrophobicContact CD-CB 4.38Å; K73-A81 WeakPolarHBondContact CD-O 3.33Å; K73-A81 WeakPolarHBondContact CE-O 3.29Å; K73-A81 HydrophobicContact CG-CB 4.16Å; K73-A81 PolarHBondContact NZ-O 2.92Å |
| 82 | K | 80.1 | Confident | 74.7 | Confident | 195 Ų | 195 | 100.3 Ų | 100.3 | 85% | 0.848 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -35.6 | 175.1 | -65.5 | -176.6 | 179.1 | -178 | 0 | 112.4 | F80 | F80-K82 PolarHBondContact O-N 3.18Š|
| 83 | D | 79.1 | Confident | 73.6 | Confident | 102 Ų | 102 | 100.3 Ų | 100.3 | 55% | 0.545 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 3.6 | -178.9 | -54.7 | -44 | 0 | 0 | 0 | 112.5 | F80 F85 | F80-D83 PolarHBondContact O-N 2.81Å; D83-F85 WeakPolarHBondContact O-CD2 3.19Å; D83-F85 PolarHBondContact O-N 3.47Å |
| 84 | C | 80.8 | Confident | 72.5 | Confident | 12 Ų | 12 | 99.7 Ų | 99.7 | 8% | 0.081 | 55% | 0.548 | C | S | . | . | trans | -75.1 | 112.3 | 176.1 | -169.9 | 0 | 0 | 0 | 0 | 109.9 | C71 K73 H79 F80 M86 | C71-C84 VanDerWaalsContact SG-CB 3.51Å; K73-C84 HydrophobicContact CB-CB 4.18Å; K73-C84 HydrophobicContact CD-CB 3.97Å; H79-C84 WeakPolarHBondContact NE2-CB 3.41Å; H79-C84 PolarHBondContact NE2-SG 2.85Å; F80-C84 PolarHBondContact O-N 3.45Å; C84-M86 PolarHBondContact O-N 3.32Å | ||
| 85 | F | 75.3 | Confident | 71.7 | Confident | 207 Ų | 207 | 105.9 Ų | 105.9 | 91% | 0.908 | 58% | 0.578 | S | S | * | * | trans | -70.8 | -3.2 | 176.1 | -66.4 | -84.2 | 0 | 0 | 0 | 113.7 | D83 Q87 | D83-F85 WeakPolarHBondContact O-CD2 3.19Å; D83-F85 PolarHBondContact O-N 3.47Å; F85-Q87 PolarHBondContact O-N 3.45Å; F85-Q87 VanDerWaalsContact O-N 3.17Å | ||
| 86 | M | 68.3 | Low | 70.5 | Confident | 84 Ų | 84 | 110 Ų | 110 | 41% | 0.414 | 59% | 0.586 | S | S | . | * | trans | -75.5 | 104.4 | 170.6 | -55.4 | -137.3 | 81 | 0 | 0 | 109 | C74 C84 K92 | C74-M86 HydrophobicContact CB-CG 4.07Å; C74-M86 HydrophobicContact CB-SD 3.87Å; C84-M86 PolarHBondContact O-N 3.32Å; M86-K92 HydrophobicContact CE-CG 4.11Å | ||
| 87 | Q | 72.4 | Confident | 69.6 | Low | 148 Ų | 148 | 111.3 Ų | 111.3 | 69% | 0.692 | 59% | 0.593 | S | S | * | * | trans | -65 | 135.1 | 169.7 | -78.6 | 178.1 | -59.4 | 0 | 0 | 109.6 | F85 G89 G90 | F85-Q87 PolarHBondContact O-N 3.45Å; F85-Q87 VanDerWaalsContact O-N 3.17Å; Q87-G89 PolarHBondContact O-N 2.79Å; Q87-G90 PolarHBondContact O-N 2.92Å | ||
| 88 | P | 64.6 | Low | 67.9 | Low | 125 Ų | 125 | 110.9 Ų | 110.9 | 81% | 0.812 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 73.5 | 178.1 | 30.9 | -34.6 | 0 | 0 | 0 | 110.5 | ||
| 89 | G | 65.4 | Low | 66.4 | Low | 85 Ų | 85 | 118.5 Ų | 118.5 | 88% | 0.876 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 131.3 | 2.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q87 | Q87-G89 PolarHBondContact O-N 2.79Š|
| 90 | G | 59.9 | Low | 64.9 | Low | 27 Ų | 27 | 125.1 Ų | 125.1 | 28% | 0.278 | 66% | 0.658 | S | S | . | * | trans | -94 | 141 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q87 K92 | Q87-G90 PolarHBondContact O-N 2.92Å; G90-K92 PolarHBondContact O-N 2.93Å | ||
| 91 | T | 58.8 | Low | 63.2 | Low | 101 Ų | 101 | 129.3 Ų | 129.3 | 62% | 0.62 | 68% | 0.679 | S | S | * | * | trans | -41.7 | 125.6 | 175.2 | 31.1 | 0 | 0 | 0 | 0 | 112.9 | Y93 | T91-Y93 PolarHBondContact O-N 3.13Å; T91-Y93 VanDerWaalsContact O-N 3.09Å; T91-Y93 WeakPolarHBondContact OG1-CE2 3.1Å | ||
| 92 | K | 59 | Low | 61.5 | Low | 180 Ų | 180 | 137.1 Ų | 137.1 | 78% | 0.783 | 71% | 0.71 | S | S | * | * | trans | -71.4 | 98.1 | 162.8 | -62.2 | -178.2 | -175.5 | 177.6 | 0 | 106.5 | M86 G90 S94 | M86-K92 HydrophobicContact CE-CG 4.11Å; G90-K92 PolarHBondContact O-N 2.93Å; K92-S94 VanDerWaalsContact C-N 3.3Å; K92-S94 PolarHBondContact O-N 3.34Å | ||
| 93 | Y | 58.8 | Low | 60 | Low | 199 Ų | 199 | 137.2 Ų | 137.2 | 78% | 0.78 | 71% | 0.71 | S | S | * | * | trans | -69.9 | 100 | 161 | -63.6 | -80 | 0 | 0 | 0 | 105.8 | T91 L95 | T91-Y93 PolarHBondContact O-N 3.13Å; T91-Y93 VanDerWaalsContact O-N 3.09Å; T91-Y93 WeakPolarHBondContact OG1-CE2 3.1Å; Y93-L95 PolarHBondContact O-N 3.17Å; Y93-L95 VanDerWaalsContact O-N 3.11Å | ||
| 94 | S | 57.3 | Low | 58.7 | Low | 96 Ų | 96 | 141 Ų | 141 | 67% | 0.671 | 73% | 0.725 | S | S | * | * | trans | -51.4 | 117.2 | 153.8 | 39.9 | 0 | 0 | 0 | 0 | 105.2 | K92 I96 | K92-S94 VanDerWaalsContact C-N 3.3Å; K92-S94 PolarHBondContact O-N 3.34Å; S94-I96 VanDerWaalsContact C-N 3.33Å; S94-I96 PolarHBondContact O-N 2.71Å | ||
| 95 | L | 60.7 | Low | 56.9 | Low | 167 Ų | 167 | 149.7 Ų | 149.7 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | trans | -44.7 | 112.2 | 158.7 | -80.8 | 156.7 | 0 | 0 | 0 | 104.7 | Y93 P97 | Y93-L95 PolarHBondContact O-N 3.17Å; Y93-L95 VanDerWaalsContact O-N 3.11Å; L95-P97 VanDerWaalsContact O-CD 3.31Å; L95-P97 WeakPolarHBondContact O-CD 3.48Å | ||
| 96 | I | 54.6 | Low | 55.4 | Low | 140 Ų | 140 | 144.8 Ų | 144.8 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | trans | -49.3 | 118.5 | 173.6 | -66.7 | 165.9 | 0 | 0 | 0 | 103.5 | S94 D98 | S94-I96 VanDerWaalsContact C-N 3.33Å; S94-I96 PolarHBondContact O-N 2.71Å; I96-D98 PolarHBondContact O-N 2.81Å | ||
| 97 | P | 56.3 | Low | 54.2 | Low | 98 Ų | 98 | 149.9 Ų | 149.9 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | trans | -48.2 | 124.1 | 169.8 | -24.7 | 34.3 | 0 | 0 | 0 | 106 | L95 E99 | L95-P97 VanDerWaalsContact O-CD 3.31Å; L95-P97 WeakPolarHBondContact O-CD 3.48Å; P97-E99 PolarHBondContact O-N 3.03Å | ||
| 98 | D | 45.6 | Very low | 52.7 | Low | 154 Ų | 154 | 148.6 Ų | 148.6 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | -56.5 | 95.8 | 168.3 | -72.4 | -59.6 | 0 | 0 | 0 | 105.6 | I96 E100 | I96-D98 PolarHBondContact O-N 2.81Å; D98-E100 PolarHBondContact O-N 3.31Å | ||
| 99 | E | 49.3 | Very low | 51.5 | Low | 188 Ų | 188 | 147 Ų | 147 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 39.2 | 179.4 | -74.5 | -174.2 | 136.9 | 0 | 0 | 111 | P97 | P97-E99 PolarHBondContact O-N 3.03Š|
| 100 | E | 51.5 | Low | 50.2 | Low | 187 Ų | 187 | 151.7 Ų | 151.7 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.8 | 0.2 | -178.5 | -140.2 | 175.3 | -177.9 | 0 | 0 | 115.8 | D98 | D98-E100 PolarHBondContact O-N 3.31Š|
| 101 | E | 47 | Very low | 49 | Very low | 188 Ų | 188 | 159.9 Ų | 159.9 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -116.4 | 7.7 | 172.6 | -93.7 | -172.5 | 151.6 | 0 | 0 | 115.6 | K103 | E101-K103 VanDerWaalsContact C-N 3.33Å; E101-K103 PolarHBondContact O-N 3.2Å |
| 102 | E | 46.7 | Very low | 47.9 | Very low | 197 Ų | 197 | 162.7 Ų | 162.7 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | 38.5 | 179.3 | -151.6 | -171.2 | 152.6 | 0 | 0 | 114.8 | ||
| 103 | K | 49.8 | Very low | 47.3 | Very low | 197 Ų | 197 | 163.9 Ų | 163.9 | 86% | 0.857 | 83% | 0.825 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.3 | 1.6 | 170.6 | -144.9 | -173 | 173.1 | -179 | 0 | 117.8 | E101 | E101-K103 VanDerWaalsContact C-N 3.33Å; E101-K103 PolarHBondContact O-N 3.2Å |
| 104 | E | 50.1 | Low | 46.5 | Very low | 181 Ų | 181 | 160 Ų | 160 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -137.2 | 67.3 | 178.9 | -66.4 | -161.7 | 168.6 | 0 | 0 | 113.1 | ||
| 105 | E | 44 | Very low | 45.6 | Very low | 194 Ų | 194 | 161.8 Ų | 161.8 | 91% | 0.907 | 83% | 0.826 | S | S | * | * | trans | -164.9 | 37.7 | 145.5 | -114.5 | 176.9 | 174.5 | 0 | 0 | 114.7 | K107 | E105-K107 VanDerWaalsContact C-N 3.27Å; E105-K107 PolarHBondContact O-N 3.09Å | ||
| 106 | A | 44.1 | Very low | 45 | Very low | 104 Ų | 104 | 159.4 Ų | 159.4 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | trans | -90.2 | 54.3 | 161.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 107 | K | 42.1 | Very low | 44.6 | Very low | 191 Ų | 191 | 158.3 Ų | 158.3 | 83% | 0.83 | 82% | 0.821 | S | S | * | * | trans | -154.4 | 86.5 | 164.9 | -83.7 | -167.2 | -179.2 | 170.8 | 0 | 111.4 | E105 | E105-K107 VanDerWaalsContact C-N 3.27Å; E105-K107 PolarHBondContact O-N 3.09Å | ||
| 108 | S | 41.7 | Very low | 43.8 | Very low | 122 Ų | 122 | 165 Ų | 165 | 85% | 0.853 | 83% | 0.834 | S | S | * | * | 175.9 | 103.7 | 124.5 | 43.1 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 109 | A | 38.6 | Very low | 43.7 | Very low | 92 Ų | 92 | 165.4 Ų | 165.4 | 76% | 0.76 | 84% | 0.836 | S | S | * | * | trans | -65.9 | 147.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 110 | E | 37.7 | Very low | 43.5 | Very low | 182 Ų | 182 | 161.6 Ų | 161.6 | 85% | 0.85 | 83% | 0.827 | S | S | * | * | trans | 70.7 | 99.7 | 143.4 | -153.4 | 178 | 146.1 | 0 | 0 | 117.8 | ||||
| 111 | F | 35 | Very low | 43.3 | Very low | 200 Ų | 200 | 157.7 Ų | 157.7 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | trans | -140.8 | 119.2 | 146.1 | -166.1 | -101.9 | 0 | 0 | 0 | 110.7 | ||||
| 112 | E | 36.1 | Very low | 43.4 | Very low | 160 Ų | 160 | 161 Ų | 161 | 75% | 0.748 | 83% | 0.825 | S | S | * | * | trans | -55.3 | 154.1 | 179.2 | -74.8 | -164.1 | 111.2 | 0 | 0 | 114.4 | ||||
| 113 | K | 46.3 | Very low | 43.5 | Very low | 205 Ų | 205 | 161.6 Ų | 161.6 | 89% | 0.891 | 82% | 0.824 | S | S | * | * | trans | -66.4 | 140.6 | 163.7 | -62.6 | 170.8 | 179 | 176.6 | 0 | 110.2 | ||||
| 114 | P | 41.7 | Very low | 43.6 | Very low | 116 Ų | 116 | 164.3 Ų | 164.3 | 75% | 0.753 | 83% | 0.829 | S | S | * | * | trans | -106.5 | 131.8 | 153.4 | 25.5 | -11.6 | 0 | 0 | 0 | 112.1 | ||||
| 115 | D | 38.5 | Very low | 43.5 | Very low | 134 Ų | 134 | 165.1 Ų | 165.1 | 72% | 0.717 | 83% | 0.83 | S | S | * | * | trans | -65.8 | 151.4 | 174 | -173.5 | -87.6 | 0 | 0 | 0 | 113.1 | T117 | D115-T117 PolarHBondContact O-N 3.34Š| ||
| 116 | P | 48.2 | Very low | 43.7 | Very low | 118 Ų | 118 | 165.8 Ų | 165.8 | 77% | 0.766 | 83% | 0.83 | S | S | * | * | trans | -97 | 78.1 | -170.8 | 38.3 | -32.9 | 0 | 0 | 0 | 113.1 | ||||
| 117 | T | 45.6 | Very low | 43.6 | Very low | 117 Ų | 117 | 167.3 Ų | 167.3 | 72% | 0.718 | 82% | 0.819 | S | S | * | * | trans | -150.4 | 88.5 | 168.7 | 49.1 | 0 | 0 | 0 | 0 | 114.4 | D115 | D115-T117 PolarHBondContact O-N 3.34Š| ||
| 118 | R | 40.2 | Very low | 43.9 | Very low | 239 Ų | 239 | 165.9 Ų | 165.9 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | trans | -175 | 108.9 | 146.5 | -117.4 | 167.7 | 151 | -175.6 | -6 | 113.4 | ||||
| 119 | N | 43.5 | Very low | 44.1 | Very low | 161 Ų | 161 | 169.1 Ų | 169.1 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | trans | -88.9 | 143.6 | 146.8 | -86.9 | -40.6 | 0 | 0 | 0 | 107.5 | ||||
| 120 | P | 45 | Very low | 44.8 | Very low | 108 Ų | 108 | 174 Ų | 174 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | -148.4 | 138.7 | 97.8 | 34.5 | -15.8 | 0 | 0 | 0 | 115.9 | |||||
| 121 | S | 47.2 | Very low | 45.7 | Very low | 105 Ų | 105 | 175.5 Ų | 175.5 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | trans | 32.5 | 115.9 | 139.7 | 67.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 122 | R | 48.7 | Very low | 46.3 | Very low | 259 Ų | 259 | 175.8 Ų | 175.8 | 98% | 0.977 | 82% | 0.821 | S | S | * | * | trans | -145.3 | 97.7 | 142.2 | -106.4 | 167.8 | -167.6 | -171.9 | 3.6 | 111.3 | ||||
| 123 | K | 48.7 | Very low | 46.9 | Very low | 208 Ų | 208 | 175.4 Ų | 175.4 | 90% | 0.904 | 82% | 0.818 | S | S | * | * | trans | -76.9 | 112.1 | 170.4 | -161.6 | 178.4 | -164.6 | 174.4 | 0 | 107.9 | ||||
| 124 | R | 53.1 | Low | 47 | Very low | 255 Ų | 255 | 176.8 Ų | 176.8 | 96% | 0.962 | 82% | 0.818 | S | S | * | * | trans | -139.5 | 116.8 | 157.5 | -91.6 | -171.2 | 171.9 | -179.3 | -2.8 | 111.6 | ||||
| 125 | K | 48.7 | Very low | 47.1 | Very low | 197 Ų | 197 | 177.3 Ų | 177.3 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | trans | -73.9 | 131.9 | 174.7 | 174.3 | -173.6 | -176.5 | -178 | 0 | 110.1 | ||||
| 126 | K | 46.5 | Very low | 47.6 | Very low | 209 Ų | 209 | 182.5 Ų | 182.5 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | trans | -159.8 | 143.4 | 144.4 | -154.6 | 161.1 | -179.6 | 176.2 | 0 | 112.7 | ||||
| 127 | E | 43.3 | Very low | 47.6 | Very low | 135 Ų | 135 | 185.7 Ų | 185.7 | 63% | 0.631 | 83% | 0.826 | S | S | * | * | trans | -81.4 | 160.4 | -163.2 | -72.2 | 175.8 | 89.8 | 0 | 0 | 116.9 | ||||
| 128 | K | 48 | Very low | 47.5 | Very low | 162 Ų | 162 | 184.6 Ų | 184.6 | 70% | 0.704 | 82% | 0.823 | S | S | * | * | trans | 82.5 | 127.3 | 132.1 | -92.4 | 171.7 | -178.5 | 141.4 | 0 | 123 | ||||
| 129 | K | 46.6 | Very low | 47.8 | Very low | 189 Ų | 189 | 177.7 Ų | 177.7 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | 69.9 | 136.4 | 144.4 | -80.2 | -176.1 | 169.8 | -179.7 | 0 | 116.1 | ||||
| 130 | K | 52.5 | Low | 47.7 | Very low | 194 Ų | 194 | 176.9 Ų | 176.9 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | -151.2 | 139.4 | 50.7 | -70.6 | 174.4 | 178.1 | 179 | 0 | 112.7 | |||||
| 131 | K | 55.4 | Low | 47.4 | Very low | 214 Ų | 214 | 177.2 Ų | 177.2 | 93% | 0.93 | 81% | 0.812 | S | S | * | * | trans | -65.8 | 125.4 | 159.3 | -68.5 | 177.3 | 175.7 | -179 | 0 | 108.2 | ||||
| 132 | K | 48.7 | Very low | 47.5 | Very low | 207 Ų | 207 | 179.7 Ų | 179.7 | 90% | 0.9 | 82% | 0.817 | S | S | * | * | trans | -95 | 115.8 | 165.1 | -84.1 | -173.2 | 175.8 | -178.1 | 0 | 108.9 | ||||
| 133 | H | 47.9 | Very low | 47.2 | Very low | 151 Ų | 151 | 172.7 Ų | 172.7 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | trans | -60.4 | 127 | 162.4 | -171.4 | -103.4 | 0 | 0 | 0 | 107.7 | D135 | H133-D135 IonicContact CE1-OD1 3.28Å; H133-D135 PolarHBondContact CE1-OD1 3.17Å; H133-D135 VanDerWaalsContact CE1-OD1 3.28Å; H133-D135 IonicContact ND1-OD1 2.88Å; H133-D135 PolarHBondContact ND1-OD1 3.2Å | ||
| 134 | R | 48.3 | Very low | 46.8 | Very low | 235 Ų | 235 | 168 Ų | 168 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | trans | -98.8 | 108.8 | 165.1 | -172.4 | 175.6 | -178.5 | 177.3 | 0 | 105.8 | R136 | R134-R136 PolarHBondContact O-N 3.36Š| ||
| 135 | D | 44.2 | Very low | 46.5 | Very low | 127 Ų | 127 | 162.8 Ų | 162.8 | 68% | 0.679 | 79% | 0.792 | S | S | * | * | trans | -54.5 | 119.6 | -179.5 | -61 | -66.9 | 0 | 0 | 0 | 110.4 | H133 K137 | H133-D135 IonicContact CE1-OD1 3.28Å; H133-D135 PolarHBondContact CE1-OD1 3.17Å; H133-D135 VanDerWaalsContact CE1-OD1 3.28Å; H133-D135 IonicContact ND1-OD1 2.88Å; H133-D135 PolarHBondContact ND1-OD1 3.2Å; D135-K137 PolarHBondContact O-N 3.23Å | ||
| 136 | R | 49.6 | Very low | 46.1 | Very low | 243 Ų | 243 | 158.7 Ų | 158.7 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | trans | -72.7 | 102.7 | 163.8 | -76.7 | 179.1 | 174.5 | 174.6 | -2.9 | 106.5 | R134 S138 | R134-R136 PolarHBondContact O-N 3.36Å; R136-S138 PolarHBondContact O-N 3.28Å; R136-S138 VanDerWaalsContact O-N 3.17Å | ||
| 137 | K | 47 | Very low | 46.3 | Very low | 185 Ų | 185 | 157.3 Ų | 157.3 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -66.9 | 107.6 | 161.6 | -174.8 | 76.6 | 179.5 | -163 | 0 | 106.9 | D135 | D135-K137 PolarHBondContact O-N 3.23Š| ||
| 138 | S | 45.3 | Very low | 46.3 | Very low | 94 Ų | 94 | 156.7 Ų | 156.7 | 66% | 0.657 | 80% | 0.796 | S | S | * | * | trans | -63.3 | 125.8 | 157.1 | 46.7 | 0 | 0 | 0 | 0 | 107.9 | R136 | R136-S138 PolarHBondContact O-N 3.28Å; R136-S138 VanDerWaalsContact O-N 3.17Å | ||
| 139 | S | 45.4 | Very low | 46.3 | Very low | 93 Ų | 93 | 156 Ų | 156 | 65% | 0.65 | 80% | 0.8 | S | S | * | * | trans | -133.1 | 94.9 | 161.5 | 54.7 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 140 | D | 40.9 | Very low | 46.2 | Very low | 144 Ų | 144 | 153.5 Ų | 153.5 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | -49.3 | 130.6 | 151.5 | -61 | -82.8 | 0 | 0 | 0 | 108.4 | ||||
| 141 | S | 40.4 | Very low | 45.6 | Very low | 116 Ų | 116 | 147.4 Ų | 147.4 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -137.2 | 83.2 | 169.8 | -73.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 142 | D | 48.6 | Very low | 45.2 | Very low | 156 Ų | 156 | 146.8 Ų | 146.8 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | -71.6 | 153 | 151.9 | -92 | -69.2 | 0 | 0 | 0 | 110.2 | ||||
| 143 | S | 41.1 | Very low | 45.2 | Very low | 113 Ų | 113 | 148 Ų | 148 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | 112.7 | 100.5 | 152.8 | -151.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 144 | S | 41.6 | Very low | 44.9 | Very low | 109 Ų | 109 | 145.7 Ų | 145.7 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | 55.1 | 119.4 | 127.2 | -98.9 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 145 | D | 46.8 | Very low | 44.9 | Very low | 146 Ų | 146 | 144.8 Ų | 144.8 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | 36 | 113.1 | 112.7 | -126.7 | -60.5 | 0 | 0 | 0 | 119.4 | |||||
| 146 | S | 40.4 | Very low | 45.1 | Very low | 111 Ų | 111 | 147.9 Ų | 147.9 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | 164.2 | 133.8 | 124 | -80.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 147 | E | 49.7 | Very low | 45.1 | Very low | 179 Ų | 179 | 141.6 Ų | 141.6 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | trans | -52.8 | 147.6 | 165.8 | -55 | -90.9 | 106.6 | 0 | 0 | 112.6 | ||||
| 148 | S | 44 | Very low | 45 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | 164.3 | 141.1 | 117.8 | 44.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 149 | D | 48.6 | Very low | 45 | Very low | 146 Ų | 146 | 142.1 Ų | 142.1 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | trans | -55.1 | 141.1 | 173.9 | -157.9 | -79.5 | 0 | 0 | 0 | 113 | ||||
| 150 | T | 42.9 | Very low | 45 | Very low | 137 Ų | 137 | 143.8 Ų | 143.8 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | trans | 169.2 | 127.5 | 130.8 | 42.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 151 | G | 40 | Very low | 45.4 | Very low | 66 Ų | 66 | 141.5 Ų | 141.5 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | 108.7 | 101.8 | 130 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 152 | K | 47.8 | Very low | 45.5 | Very low | 201 Ų | 201 | 146.7 Ų | 146.7 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | 83.1 | 103.1 | 132.2 | -58.9 | 177.5 | -175 | 175.7 | 0 | 120.6 | ||||
| 153 | R | 48.8 | Very low | 45.5 | Very low | 232 Ų | 232 | 143.8 Ų | 143.8 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | 52.6 | 111.5 | 125.8 | -71.6 | 179.7 | 162.9 | -172.6 | -3.2 | 119.4 | |||||
| 154 | A | 42.1 | Very low | 45.8 | Very low | 104 Ų | 104 | 143.1 Ų | 143.1 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | -144.9 | 124 | 125 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 155 | R | 48.3 | Very low | 46.3 | Very low | 215 Ų | 215 | 147.8 Ų | 147.8 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | -70 | 132.2 | 176.9 | -69.9 | 170.4 | 168.9 | -178 | -4.9 | 108.9 | ||||
| 156 | H | 48.3 | Very low | 46.5 | Very low | 193 Ų | 193 | 151.1 Ų | 151.1 | 89% | 0.894 | 81% | 0.813 | S | S | * | * | trans | -119.6 | 129.7 | 143.6 | -110.5 | -83.6 | 0 | 0 | 0 | 109.7 | ||||
| 157 | T | 48.2 | Very low | 47.1 | Very low | 110 Ų | 110 | 155.5 Ų | 155.5 | 68% | 0.675 | 82% | 0.818 | S | S | * | * | trans | -80.9 | 124.8 | -165.9 | 46.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 158 | S | 46 | Very low | 47 | Very low | 104 Ų | 104 | 156.8 Ų | 156.8 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | trans | 43.7 | 140 | 135 | 60.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 159 | K | 45.9 | Very low | 47.4 | Very low | 187 Ų | 187 | 160.5 Ų | 160.5 | 81% | 0.813 | 82% | 0.822 | S | S | * | * | trans | 111.2 | 119.1 | 139.3 | -153.4 | 154.5 | -173.5 | -176.1 | 0 | 111.9 | ||||
| 160 | D | 44.4 | Very low | 47.6 | Very low | 127 Ų | 127 | 163.1 Ų | 163.1 | 68% | 0.679 | 83% | 0.826 | S | S | * | * | cis | -150.3 | -178.9 | 35.5 | -138.7 | -67 | 0 | 0 | 0 | 113.3 | ||||
| 161 | S | 48.8 | Very low | 48.1 | Very low | 96 Ų | 96 | 165.6 Ų | 165.6 | 67% | 0.671 | 83% | 0.825 | S | S | * | * | trans | -96 | 129.6 | -139.2 | -40.9 | 0 | 0 | 0 | 0 | 114.8 | A163 | S161-A163 PolarHBondContact O-N 2.88Š| ||
| 162 | K | 44.2 | Very low | 48.8 | Very low | 225 Ų | 225 | 171.7 Ų | 171.7 | 98% | 0.978 | 83% | 0.833 | S | S | * | * | trans | -84.5 | 94.1 | 155 | -97.5 | -174.6 | 178.2 | 174.8 | 0 | 109.7 | ||||
| 163 | A | 47.1 | Very low | 48.9 | Very low | 96 Ų | 96 | 170.2 Ų | 170.2 | 79% | 0.793 | 83% | 0.829 | S | S | * | * | trans | -83.7 | 117.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | S161 | S161-A163 PolarHBondContact O-N 2.88Š| ||
| 164 | A | 47.4 | Very low | 49.2 | Very low | 98 Ų | 98 | 168.2 Ų | 168.2 | 81% | 0.81 | 83% | 0.827 | S | S | * | * | trans | -171.7 | 95.6 | 139.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 165 | K | 52.1 | Low | 49.8 | Very low | 207 Ų | 207 | 171.9 Ų | 171.9 | 90% | 0.9 | 82% | 0.823 | S | S | * | * | trans | -57 | 131.2 | 160.1 | -70.9 | 173 | 173.6 | 171 | 0 | 109.6 | ||||
| 166 | K | 51 | Low | 50.2 | Low | 216 Ų | 216 | 170.8 Ų | 170.8 | 94% | 0.939 | 82% | 0.824 | S | S | * | * | trans | -142.1 | 108.9 | 134.5 | -84.1 | -165.9 | 177.7 | 172.1 | 0 | 110.4 | ||||
| 167 | K | 53.9 | Low | 50.1 | Low | 203 Ų | 203 | 169.2 Ų | 169.2 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | trans | -89.2 | 159.2 | 165.6 | -81.2 | -170.9 | 174.7 | -178.8 | 0 | 110 | ||||
| 168 | K | 47.2 | Very low | 50.3 | Low | 206 Ų | 206 | 173.9 Ų | 173.9 | 90% | 0.896 | 83% | 0.828 | S | S | * | * | trans | 80.4 | 130.2 | 167.3 | -73.7 | 178.3 | 168.7 | 176 | 0 | 114.5 | ||||
| 169 | K | 51.6 | Low | 50.3 | Low | 202 Ų | 202 | 180.7 Ų | 180.7 | 88% | 0.878 | 85% | 0.848 | S | S | * | * | cis | -154.9 | 134.3 | 47 | -147.6 | 173.6 | -175.5 | 177.1 | 0 | 111.1 | ||||
| 170 | K | 53.4 | Low | 50.5 | Low | 200 Ų | 200 | 180.4 Ų | 180.4 | 87% | 0.87 | 85% | 0.85 | S | S | * | * | trans | -69.3 | 135 | 164.2 | -70.2 | -173.9 | 175.8 | -177 | 0 | 109 | ||||
| 171 | K | 53.1 | Low | 50.9 | Low | 189 Ų | 189 | 183.2 Ų | 183.2 | 82% | 0.822 | 86% | 0.859 | S | S | * | * | trans | -127 | 108.4 | 155.5 | -114 | -173.5 | 177.7 | -174.1 | 0 | 108.4 | ||||
| 172 | K | 54.9 | Low | 51 | Low | 194 Ų | 194 | 188 Ų | 188 | 84% | 0.843 | 87% | 0.869 | S | S | * | * | trans | -71 | 135.9 | 163.9 | -72.2 | 178.3 | 171.9 | -178.3 | 0 | 107.5 | ||||
| 173 | H | 49.2 | Very low | 51.4 | Low | 171 Ų | 171 | 185.8 Ų | 185.8 | 79% | 0.792 | 86% | 0.863 | S | S | * | * | trans | -125.4 | 129.7 | 149.8 | -88.2 | -81.7 | 0 | 0 | 0 | 109.6 | ||||
| 174 | K | 56.5 | Low | 51.6 | Low | 190 Ų | 190 | 191.4 Ų | 191.4 | 83% | 0.826 | 87% | 0.867 | S | S | * | * | trans | -82.8 | 134.1 | -173.7 | 176 | 177.5 | 176.4 | 176.6 | 0 | 108.6 | ||||
| 175 | K | 55.4 | Low | 51.9 | Low | 180 Ų | 180 | 197.7 Ų | 197.7 | 78% | 0.783 | 87% | 0.871 | S | S | * | * | trans | -48.4 | 139 | 165 | -108.1 | -178.7 | 173 | -177.1 | 0 | 111.4 | ||||
| 176 | K | 56.3 | Low | 51.9 | Low | 193 Ų | 193 | 197 Ų | 197 | 84% | 0.839 | 87% | 0.869 | S | S | * | * | trans | -145.4 | 129.4 | 139.7 | -78.4 | -158.5 | 175.2 | -173.5 | 0 | 110 | ||||
| 177 | H | 45.7 | Very low | 52 | Low | 159 Ų | 159 | 195.5 Ų | 195.5 | 74% | 0.736 | 86% | 0.863 | S | S | * | * | trans | -66 | 153.3 | 168 | -100.3 | -105.5 | 0 | 0 | 0 | 111 | ||||
| 178 | K | 52.5 | Low | 51.8 | Low | 209 Ų | 209 | 194.9 Ų | 194.9 | 91% | 0.909 | 86% | 0.862 | S | S | * | * | trans | -145.9 | 104.5 | 143.1 | -169.7 | 177.1 | -179.4 | -176.1 | 0 | 107.4 | ||||
| 179 | E | 46.1 | Very low | 52.2 | Low | 246 Ų | 246 | 193.9 Ų | 193.9 | 100% | 1.15 | 86% | 0.859 | S | S | * | * | trans | -115.5 | 0 | 149.7 | -163.5 | 178.2 | 163.8 | 0 | 0 | 105 |
Retrieved 179 of 179 residues in 590.8 ms
(Link to these results)