| 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 | 34.3 | Very low | 32.7 | Very low | 243 Ų | 243 | 117 Ų | 117 | 100% | 1.197 | 84% | 0.842 | S | S | * | * | 0 | 90.4 | 0 | -76.2 | 157.8 | 178.6 | 0 | 0 | 107.4 | |||||
| 2 | S | 26.2 | Very low | 34 | Very low | 124 Ų | 124 | 117.1 Ų | 117.1 | 87% | 0.867 | 84% | 0.841 | S | S | * | * | trans | -83 | 120.6 | -177.8 | -69.6 | 0 | 0 | 0 | 0 | 109.8 | C4 | S2-C4 PolarHBondContact O-N 3.15Š| ||
| 3 | C | 27.7 | Very low | 34.8 | Very low | 131 Ų | 131 | 116.5 Ų | 116.5 | 89% | 0.885 | 84% | 0.835 | S | S | * | * | trans | -70.4 | 111.6 | 166.8 | -68.8 | 0 | 0 | 0 | 0 | 108.6 | G5 | C3-G5 PolarHBondContact O-N 3.26Š| ||
| 4 | C | 29.7 | Very low | 34.5 | Very low | 128 Ų | 128 | 116.9 Ų | 116.9 | 87% | 0.865 | 83% | 0.834 | S | S | * | * | trans | -57.1 | 121.5 | 172.5 | -119.8 | 0 | 0 | 0 | 0 | 109.4 | S2 C6 | S2-C4 PolarHBondContact O-N 3.15Å; C4-C6 PolarHBondContact O-N 3.02Å | ||
| 5 | G | 34 | Very low | 35.1 | Very low | 73 Ų | 73 | 117.7 Ų | 117.7 | 75% | 0.753 | 84% | 0.837 | S | S | * | * | trans | -61.7 | 127.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | C3 | C3-G5 PolarHBondContact O-N 3.26Š| ||
| 6 | C | 32.2 | Very low | 35.6 | Very low | 126 Ų | 126 | 122.3 Ų | 122.3 | 85% | 0.851 | 84% | 0.836 | S | S | * | * | trans | -111.9 | 68.6 | 158 | -77.9 | 0 | 0 | 0 | 0 | 108.6 | C4 G8 | C4-C6 PolarHBondContact O-N 3.02Å; C6-G8 PolarHBondContact O-N 3.23Å; C6-G8 VanDerWaalsContact O-N 3.14Å | ||
| 7 | C | 40.8 | Very low | 35.8 | Very low | 137 Ų | 137 | 121.5 Ų | 121.5 | 93% | 0.926 | 83% | 0.829 | S | S | * | * | trans | -73.7 | 79.7 | 147.5 | -79.2 | 0 | 0 | 0 | 0 | 107.1 | G9 | C7-G9 PolarHBondContact O-N 2.98Š| ||
| 8 | G | 31.7 | Very low | 36.2 | Very low | 69 Ų | 69 | 121.3 Ų | 121.3 | 71% | 0.711 | 82% | 0.822 | S | S | * | * | trans | -92.4 | 86.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | C6 C10 | C6-G8 PolarHBondContact O-N 3.23Å; C6-G8 VanDerWaalsContact O-N 3.14Å; G8-C10 PolarHBondContact O-N 3.43Å | ||
| 9 | G | 32.3 | Very low | 36.1 | Very low | 71 Ų | 71 | 120.8 Ų | 120.8 | 73% | 0.732 | 82% | 0.819 | S | S | * | * | trans | -51.4 | 138.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | C7 G11 | C7-G9 PolarHBondContact O-N 2.98Å; G9-G11 PolarHBondContact O-N 3.39Å | ||
| 10 | C | 40.2 | Very low | 35.9 | Very low | 121 Ų | 121 | 119.8 Ų | 119.8 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -61.4 | 85.9 | 172.1 | -76.3 | 0 | 0 | 0 | 0 | 109.9 | G8 | G8-C10 PolarHBondContact O-N 3.43Š| ||
| 11 | G | 30.6 | Very low | 36.4 | Very low | 64 Ų | 64 | 120.2 Ų | 120.2 | 66% | 0.66 | 82% | 0.815 | S | S | * | * | trans | -109.3 | 119.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | G9 S13 | G9-G11 PolarHBondContact O-N 3.39Å; G11-S13 PolarHBondContact O-N 3.27Å | ||
| 12 | S | 48.8 | Very low | 36.3 | Very low | 118 Ų | 118 | 114.7 Ų | 114.7 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -37.9 | 124.2 | 172 | 33.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 13 | S | 44.3 | Very low | 37.1 | Very low | 110 Ų | 110 | 114 Ų | 114 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | 144.5 | 150.9 | 139.4 | 57 | 0 | 0 | 0 | 0 | 111.2 | G11 | G11-S13 PolarHBondContact O-N 3.27Š| ||
| 14 | C | 29.9 | Very low | 37.7 | Very low | 121 Ų | 121 | 113 Ų | 113 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | 79.1 | 98.4 | 176.4 | -60.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 15 | C | 43.7 | Very low | 38.2 | Very low | 130 Ų | 130 | 111 Ų | 111 | 88% | 0.878 | 76% | 0.763 | S | S | * | * | trans | -51.3 | 142.9 | 160.5 | -69.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 16 | K | 42.9 | Very low | 38.6 | Very low | 190 Ų | 190 | 112.6 Ų | 112.6 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | trans | 75 | 126 | 177.3 | -76.3 | 179.7 | 171.9 | 162.2 | 0 | 114.9 | ||||
| 17 | P | 39.9 | Very low | 39.6 | Very low | 109 Ų | 109 | 109.1 Ų | 109.1 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | -135.1 | 157.5 | 77 | 32.5 | -15.8 | 0 | 0 | 0 | 115.1 | C19 | P17-C19 VanDerWaalsContact C-N 3.3Å; P17-C19 PolarHBondContact O-N 3.09Å | |||
| 18 | V | 41.6 | Very low | 40.4 | Very low | 118 Ų | 118 | 107.6 Ų | 107.6 | 72% | 0.715 | 73% | 0.73 | S | S | * | * | trans | -61.4 | 95.3 | 154.2 | 176.4 | 0 | 0 | 0 | 0 | 106.5 | C20 | V18-C20 VanDerWaalsContact CG1-SG 3.54Å; V18-C20 PolarHBondContact O-N 2.76Å; V18-C20 VanDerWaalsContact O-N 3.15Å | ||
| 19 | C | 35.8 | Very low | 41.8 | Very low | 113 Ų | 113 | 108.4 Ų | 108.4 | 76% | 0.764 | 73% | 0.725 | S | S | * | * | trans | -83.5 | 80.7 | 162.7 | -82.7 | 0 | 0 | 0 | 0 | 107.9 | P17 C21 | P17-C19 VanDerWaalsContact C-N 3.3Å; P17-C19 PolarHBondContact O-N 3.09Å; C19-C21 PolarHBondContact O-N 3.28Å | ||
| 20 | C | 31.7 | Very low | 43.2 | Very low | 99 Ų | 99 | 106.7 Ų | 106.7 | 67% | 0.669 | 70% | 0.701 | S | S | * | * | trans | -53.8 | 118.7 | 152.2 | -76.9 | 0 | 0 | 0 | 0 | 108.1 | V18 | V18-C20 VanDerWaalsContact CG1-SG 3.54Å; V18-C20 PolarHBondContact O-N 2.76Å; V18-C20 VanDerWaalsContact O-N 3.15Å | ||
| 21 | C | 46.7 | Very low | 44.3 | Very low | 130 Ų | 130 | 103.1 Ų | 103.1 | 88% | 0.878 | 69% | 0.685 | S | S | * | * | trans | 19.8 | 105 | 142 | -56.4 | 0 | 0 | 0 | 0 | 117.1 | C19 | C19-C21 PolarHBondContact O-N 3.28Š| ||
| 22 | V | 32.3 | Very low | 45.7 | Very low | 127 Ų | 127 | 102 Ų | 102 | 77% | 0.77 | 67% | 0.673 | S | S | * | * | trans | -123.7 | 131 | 141.5 | -176 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 23 | P | 43 | Very low | 46.2 | Very low | 110 Ų | 110 | 99 Ų | 99 | 71% | 0.714 | 65% | 0.652 | S | S | * | * | trans | -78.6 | 137.7 | -171.1 | 33.2 | -32.6 | 0 | 0 | 0 | 109.8 | ||||
| 24 | V | 40.5 | Very low | 46.8 | Very low | 109 Ų | 109 | 102.7 Ų | 102.7 | 66% | 0.661 | 65% | 0.654 | S | S | * | * | trans | 68.9 | 67 | 165.2 | -131.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 25 | C | 39.8 | Very low | 48.2 | Very low | 87 Ų | 87 | 99 Ų | 99 | 59% | 0.588 | 64% | 0.636 | S | S | * | * | trans | -81.7 | 113.9 | 150.1 | -72.8 | 0 | 0 | 0 | 0 | 108.7 | C27 | C25-C27 PolarHBondContact O-N 2.72Š| ||
| 26 | S | 42.8 | Very low | 49 | Very low | 106 Ų | 106 | 95.1 Ų | 95.1 | 74% | 0.741 | 62% | 0.618 | S | S | * | * | trans | -68.5 | 65.1 | 169.7 | -53.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 27 | C | 52.8 | Low | 50.2 | Low | 53 Ų | 53 | 87.1 Ų | 87.1 | 36% | 0.358 | 59% | 0.586 | S | S | . | * | trans | -79 | 136.7 | 173.3 | -68.9 | 0 | 0 | 0 | 0 | 109.4 | C25 S29 C43 G44 | C25-C27 PolarHBondContact O-N 2.72Å; C27-S29 PolarHBondContact O-N 2.94Å; C27-S29 VanDerWaalsContact O-N 3.17Å; C27-C43 WeakPolarHBondContact O-CA 3.18Å; C27-C43 WeakPolarHBondContact O-CB 3.28Å; C27-G44 PolarHBondContact O-N 3.47Å | ||
| 28 | S | 58 | Low | 51.5 | Low | 104 Ų | 104 | 87.1 Ų | 87.1 | 73% | 0.727 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -60.1 | -24.9 | 172.1 | -53.9 | 0 | 0 | 0 | 0 | 111.9 | G44 S45 | S28-G44 CarbonylContact O-C 3.42Å; S28-G44 WeakPolarHBondContact O-CA 3.43Å; S28-G44 PolarHBondContact O-N 2.73Å; S28-S45 PolarHBondContact O-N 3.43Å; S28-S45 VanDerWaalsContact O-N 3.15Å |
| 29 | S | 60.3 | Low | 52.7 | Low | 86 Ų | 86 | 85.9 Ų | 85.9 | 60% | 0.601 | 59% | 0.585 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -153 | 136.1 | 175.2 | -58.9 | 0 | 0 | 0 | 0 | 113.1 | C27 S45 | C27-S29 PolarHBondContact O-N 2.94Å; C27-S29 VanDerWaalsContact O-N 3.17Å; S29-S45 CarbonylContact C-O 3.42Å; S29-S45 WeakPolarHBondContact CA-O 3.21Å |
| 30 | C | 62.3 | Low | 54.2 | Low | 35 Ų | 35 | 81.3 Ų | 81.3 | 24% | 0.236 | 55% | 0.554 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.6 | 103.3 | 171.9 | -68.5 | 0 | 0 | 0 | 0 | 109.4 | C40 C43 S45 C46 G47 | C30-C40 HydrophobicContact CB-CB 4.46Å; C30-C43 HydrophobicContact CB-CB 4.41Å; C30-S45 PolarHBondContact N-O 3.04Å; C30-C46 CarbonylContact O-C 3.43Å; C30-C46 WeakPolarHBondContact O-CA 2.9Å; C30-G47 PolarHBondContact O-N 3.39Å |
| 31 | G | 62.5 | Low | 55.9 | Low | 47 Ų | 47 | 78.2 Ų | 78.2 | 49% | 0.485 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.1 | 171.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | G47 | G31-G47 CarbonylContact C-O 3.42Å; G31-G47 WeakPolarHBondContact CA-O 3.39Å |
| 32 | G | 60.8 | Low | 56.8 | Low | 39 Ų | 39 | 73.6 Ų | 73.6 | 40% | 0.402 | 51% | 0.513 | S | S | . | . | trans | 97 | 9.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | G47 | G32-G47 PolarHBondContact N-O 2.79Å; G32-G47 VanDerWaalsContact N-O 3.13Å | ||
| 33 | C | 58.5 | Low | 58.4 | Low | 57 Ų | 57 | 67.8 Ų | 67.8 | 39% | 0.385 | 48% | 0.479 | S | S | . | . | trans | -68.5 | 139.3 | -178.4 | -58.2 | 0 | 0 | 0 | 0 | 112.7 | G35 C37 K50 | C33-G35 VanDerWaalsContact C-N 3.26Å; C33-G35 CarbonylContact C-O 3.46Å; C33-G35 WeakPolarHBondContact CB-O 3.2Å; C33-G35 VanDerWaalsContact O-O 3.08Å; C33-C37 VanDerWaalsContact SG-SG 3.64Å; C33-K50 PolarHBondContact O-N 3.39Å; C33-K50 VanDerWaalsContact O-N 3.09Å | ||
| 34 | K | 57.3 | Low | 59.6 | Low | 187 Ų | 187 | 64.5 Ų | 64.5 | 81% | 0.813 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -63.1 | -36 | 167.8 | -83.9 | -175.9 | 179.3 | 176.9 | 0 | 110.8 | ||
| 35 | G | 59.5 | Low | 61.1 | Low | 43 Ų | 43 | 61.8 Ų | 61.8 | 44% | 0.443 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -86.3 | 170.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | C33 | C33-G35 VanDerWaalsContact C-N 3.26Å; C33-G35 CarbonylContact C-O 3.46Å; C33-G35 WeakPolarHBondContact CB-O 3.2Å; C33-G35 VanDerWaalsContact O-O 3.08Å |
| 36 | G | 60.9 | Low | 62.5 | Low | 48 Ų | 48 | 57.9 Ų | 57.9 | 50% | 0.495 | 42% | 0.424 | S | S | . | . | trans | -73.6 | 162 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | G52 | G36-G52 CarbonylContact C-O 3.39Å; G36-G52 WeakPolarHBondContact CA-O 3.06Å | ||
| 37 | C | 66.6 | Low | 63.8 | Low | 23 Ų | 23 | 53.6 Ų | 53.6 | 16% | 0.155 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 130.9 | 172 | -66 | 0 | 0 | 0 | 0 | 109.9 | C33 C49 G52 C53 G54 | C33-C37 VanDerWaalsContact SG-SG 3.64Å; C37-C49 PolarHBondContact SG-SG 3.32Å; C37-G52 PolarHBondContact N-O 2.74Å; C37-C53 CarbonylContact O-C 3.43Å; C37-C53 WeakPolarHBondContact O-CA 3.44Å; C37-G54 PolarHBondContact O-N 2.92Å |
| 38 | S | 67.3 | Low | 64.6 | Low | 108 Ų | 108 | 53.2 Ų | 53.2 | 76% | 0.755 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.4 | -40.2 | -179.1 | -50.2 | 0 | 0 | 0 | 0 | 112.8 | G54 S55 | S38-G54 WeakPolarHBondContact O-CA 3.12Å; S38-S55 PolarHBondContact O-N 2.75Å |
| 39 | S | 67.8 | Low | 64.9 | Low | 92 Ų | 92 | 48.3 Ų | 48.3 | 64% | 0.643 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 142.7 | 178.3 | -170.5 | 0 | 0 | 0 | 0 | 112 | S55 | S39-S55 CarbonylContact C-O 3.45Å; S39-S55 WeakPolarHBondContact CA-O 3.15Å |
| 40 | C | 67.2 | Low | 65.3 | Low | 17 Ų | 17 | 50.2 Ų | 50.2 | 12% | 0.115 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 135.1 | 175.7 | -62.7 | 0 | 0 | 0 | 0 | 110.4 | C30 C46 S55 C56 G57 | C30-C40 HydrophobicContact CB-CB 4.46Å; C40-C46 HydrophobicContact CB-CB 4.29Å; C40-C46 WeakPolarHBondContact CB-SG 3.23Å; C40-C46 VanDerWaalsContact SG-SG 3.62Å; C40-S55 PolarHBondContact N-O 3.02Å; C40-C56 CarbonylContact O-C 3.51Å; C40-C56 WeakPolarHBondContact O-CA 3.04Å; C40-G57 PolarHBondContact O-N 2.74Å |
| 41 | G | 66.9 | Low | 65.4 | Low | 34 Ų | 34 | 50.9 Ų | 50.9 | 35% | 0.351 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 162.4 | 173 | 0 | 0 | 0 | 0 | 0 | 115.4 | G57 | G41-G57 CarbonylContact C-O 3.47Å; G41-G57 WeakPolarHBondContact CA-O 3.41Å |
| 42 | G | 65.8 | Low | 65.8 | Low | 33 Ų | 33 | 49 Ų | 49 | 34% | 0.34 | 36% | 0.358 | S | S | . | . | S | Bend | trans | 72.8 | 24.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | G57 G58 | G42-G57 PolarHBondContact N-O 2.76Å; G42-G58 WeakPolarHBondContact CA-O 3.33Å; G42-G58 PolarHBondContact N-O 2.73Å |
| 43 | C | 66.6 | Low | 66.2 | Low | 6 Ų | 6 | 47.5 Ų | 47.5 | 4% | 0.041 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -117.8 | 154.6 | -175.2 | 55.3 | 0 | 0 | 0 | 0 | 112.7 | C27 C30 S45 C59 G60 | C27-C43 WeakPolarHBondContact O-CA 3.18Å; C27-C43 WeakPolarHBondContact O-CB 3.28Å; C30-C43 HydrophobicContact CB-CB 4.41Å; C43-S45 VanDerWaalsContact C-N 3.3Å; C43-S45 PolarHBondContact O-N 3.41Å; C43-C59 WeakPolarHBondContact O-CA 3.42Å; C43-C59 WeakPolarHBondContact O-CB 3.23Å; C43-G60 PolarHBondContact O-N 2.81Å; C43-G60 VanDerWaalsContact O-N 3.12Å |
| 44 | G | 67.3 | Low | 66.8 | Low | 40 Ų | 40 | 46.2 Ų | 46.2 | 41% | 0.412 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -59.9 | -39.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | C27 S28 G60 S61 | C27-G44 PolarHBondContact O-N 3.47Å; S28-G44 CarbonylContact O-C 3.42Å; S28-G44 WeakPolarHBondContact O-CA 3.43Å; S28-G44 PolarHBondContact O-N 2.73Å; G44-G60 CarbonylContact O-C 3.47Å; G44-G60 WeakPolarHBondContact O-CA 2.92Å; G44-G60 PolarHBondContact O-N 3.09Å; G44-S61 PolarHBondContact O-N 3.13Å; G44-S61 VanDerWaalsContact O-N 3.14Å |
| 45 | S | 71.4 | Confident | 67.6 | Low | 52 Ų | 52 | 40 Ų | 40 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 138.7 | 176 | -71.9 | 0 | 0 | 0 | 0 | 112.5 | S28 S29 C30 C43 S61 | S28-S45 PolarHBondContact O-N 3.43Å; S28-S45 VanDerWaalsContact O-N 3.15Å; S29-S45 CarbonylContact C-O 3.42Å; S29-S45 WeakPolarHBondContact CA-O 3.21Å; C30-S45 PolarHBondContact N-O 3.04Å; C43-S45 VanDerWaalsContact C-N 3.3Å; C43-S45 PolarHBondContact O-N 3.41Å; S45-S61 CarbonylContact C-O 3.42Å; S45-S61 VanDerWaalsContact CA-O 3.25Å; S45-S61 WeakPolarHBondContact CA-O 3.21Å |
| 46 | C | 70.4 | Confident | 68.2 | Low | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.034 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 120.9 | 177.4 | 177.4 | 0 | 0 | 0 | 0 | 111.7 | C30 C40 C56 S61 C62 G63 | C30-C46 CarbonylContact O-C 3.43Å; C30-C46 WeakPolarHBondContact O-CA 2.9Å; C40-C46 HydrophobicContact CB-CB 4.29Å; C40-C46 WeakPolarHBondContact CB-SG 3.23Å; C40-C46 VanDerWaalsContact SG-SG 3.62Å; C46-C56 PolarHBondContact SG-SG 2.74Å; C46-S61 PolarHBondContact N-O 2.87Å; C46-C62 HydrophobicContact CB-CB 4.09Å; C46-C62 CarbonylContact O-C 3.47Å; C46-C62 WeakPolarHBondContact O-CA 3.23Å; C46-G63 PolarHBondContact O-N 3.14Å |
| 47 | G | 70 | Confident | 68.8 | Low | 16 Ų | 16 | 37.3 Ų | 37.3 | 17% | 0.165 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.1 | -172.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | C30 G31 G32 C49 G63 | C30-G47 PolarHBondContact O-N 3.39Å; G31-G47 CarbonylContact C-O 3.42Å; G31-G47 WeakPolarHBondContact CA-O 3.39Å; G32-G47 PolarHBondContact N-O 2.79Å; G32-G47 VanDerWaalsContact N-O 3.13Å; G47-C49 PolarHBondContact O-N 3.03Å; G47-G63 CarbonylContact C-O 3.49Å; G47-G63 WeakPolarHBondContact CA-O 3.24Å |
| 48 | G | 68.4 | Low | 69 | Low | 45 Ų | 45 | 38.5 Ų | 38.5 | 46% | 0.464 | 31% | 0.305 | S | S | . | . | trans | 78.9 | 12.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | G63 | G48-G63 PolarHBondContact N-O 3.49Å; G48-G63 VanDerWaalsContact N-O 3.09Å | ||
| 49 | C | 66.1 | Low | 69.3 | Low | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | trans | -75.8 | 139.7 | 179.9 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | C37 G47 C65 K66 | C37-C49 PolarHBondContact SG-SG 3.32Å; G47-C49 PolarHBondContact O-N 3.03Å; C49-C65 WeakPolarHBondContact O-CA 3.42Å; C49-K66 PolarHBondContact O-N 2.76Å | ||
| 50 | K | 68.2 | Low | 69.5 | Low | 127 Ų | 127 | 31.1 Ų | 31.1 | 55% | 0.552 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -66.7 | -40.1 | 174.2 | -81.8 | -173.2 | -180 | -178.9 | 0 | 111.2 | C33 K66 G67 | C33-K50 PolarHBondContact O-N 3.39Å; C33-K50 VanDerWaalsContact O-N 3.09Å; K50-K66 WeakPolarHBondContact O-CB 3.09Å; K50-G67 PolarHBondContact O-N 2.85Å |
| 51 | G | 64.7 | Low | 70 | Confident | 49 Ų | 49 | 32.7 Ų | 32.7 | 51% | 0.505 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -84.8 | -11.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 52 | G | 69.2 | Low | 70.4 | Confident | 7 Ų | 7 | 31.3 Ų | 31.3 | 7% | 0.072 | 26% | 0.256 | C | S | . | . | trans | 103.3 | 170.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114 | G36 C37 G68 | G36-G52 CarbonylContact C-O 3.39Å; G36-G52 WeakPolarHBondContact CA-O 3.06Å; C37-G52 PolarHBondContact N-O 2.74Å; G52-G68 CarbonylContact C-O 3.55Å; G52-G68 WeakPolarHBondContact CA-O 3.37Å | ||
| 53 | C | 69.9 | Low | 70.8 | Confident | 7 Ų | 7 | 30.5 Ų | 30.5 | 5% | 0.047 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 135.4 | 170.7 | -71.2 | 0 | 0 | 0 | 0 | 109.8 | C37 G68 C69 G70 | C37-C53 CarbonylContact O-C 3.43Å; C37-C53 WeakPolarHBondContact O-CA 3.44Å; C53-G68 PolarHBondContact N-O 2.76Å; C53-C69 CarbonylContact O-C 3.37Å; C53-C69 VanDerWaalsContact O-CA 3.23Å; C53-C69 WeakPolarHBondContact O-CA 3.14Å; C53-G70 PolarHBondContact O-N 2.91Å |
| 54 | G | 70.8 | Confident | 71.1 | Confident | 31 Ų | 31 | 32.4 Ų | 32.4 | 32% | 0.32 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | -69.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | C37 S38 G70 S71 | C37-G54 PolarHBondContact O-N 2.92Å; S38-G54 WeakPolarHBondContact O-CA 3.12Å; G54-G70 CarbonylContact O-C 3.33Å; G54-G70 WeakPolarHBondContact O-CA 3.12Å; G54-G70 PolarHBondContact O-N 3.28Å; G54-S71 PolarHBondContact O-N 3.15Å |
| 55 | S | 74.9 | Confident | 71.3 | Confident | 55 Ų | 55 | 30.6 Ų | 30.6 | 39% | 0.385 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 132.2 | -179.8 | -63.6 | 0 | 0 | 0 | 0 | 112.2 | S38 S39 C40 S71 | S38-S55 PolarHBondContact O-N 2.75Å; S39-S55 CarbonylContact C-O 3.45Å; S39-S55 WeakPolarHBondContact CA-O 3.15Å; C40-S55 PolarHBondContact N-O 3.02Å; S55-S71 CarbonylContact C-O 3.37Å; S55-S71 VanDerWaalsContact CA-O 3.28Å; S55-S71 WeakPolarHBondContact CA-O 3.49Å |
| 56 | C | 72.1 | Confident | 71.4 | Confident | 6 Ų | 6 | 33.8 Ų | 33.8 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 127.9 | 177.8 | -60.3 | 0 | 0 | 0 | 0 | 110.2 | C40 C46 C62 S71 C72 G73 | C40-C56 CarbonylContact O-C 3.51Å; C40-C56 WeakPolarHBondContact O-CA 3.04Å; C46-C56 PolarHBondContact SG-SG 2.74Å; C56-C62 HydrophobicContact CB-CB 3.97Å; C56-S71 PolarHBondContact N-O 2.81Å; C56-C72 CarbonylContact O-C 3.43Å; C56-C72 VanDerWaalsContact O-CA 3.24Å; C56-C72 WeakPolarHBondContact O-CA 3.39Å; C56-G73 PolarHBondContact O-N 2.89Å |
| 57 | G | 73 | Confident | 71.4 | Confident | 29 Ų | 29 | 35.8 Ų | 35.8 | 30% | 0.299 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 136.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | C40 G41 G42 C59 G73 | C40-G57 PolarHBondContact O-N 2.74Å; G41-G57 CarbonylContact C-O 3.47Å; G41-G57 WeakPolarHBondContact CA-O 3.41Å; G42-G57 PolarHBondContact N-O 2.76Å; G57-C59 PolarHBondContact O-N 3.45Å; G57-G73 CarbonylContact C-O 3.45Å; G57-G73 VanDerWaalsContact CA-O 3.23Å; G57-G73 WeakPolarHBondContact CA-O 3.03Å |
| 58 | G | 71.6 | Confident | 71.6 | Confident | 48 Ų | 48 | 35.3 Ų | 35.3 | 50% | 0.495 | 27% | 0.273 | S | S | . | . | S | Bend | trans | 62.9 | 43.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | G42 G73 G74 | G42-G58 WeakPolarHBondContact CA-O 3.33Å; G42-G58 PolarHBondContact N-O 2.73Å; G58-G73 PolarHBondContact N-O 2.07Å; G58-G74 WeakPolarHBondContact CA-O 3.21Å |
| 59 | C | 72.6 | Confident | 71.9 | Confident | 4 Ų | 4 | 33.5 Ų | 33.5 | 3% | 0.027 | 25% | 0.254 | C | S | . | . | trans | -118 | 147.4 | -171.9 | 70 | 0 | 0 | 0 | 0 | 112.4 | C43 G57 S61 C62 C75 G76 | C43-C59 WeakPolarHBondContact O-CA 3.42Å; C43-C59 WeakPolarHBondContact O-CB 3.23Å; G57-C59 PolarHBondContact O-N 3.45Å; C59-S61 VanDerWaalsContact C-N 3.31Å; C59-S61 PolarHBondContact O-N 3.46Å; C59-C62 WeakPolarHBondContact SG-CB 3.24Å; C59-C62 VanDerWaalsContact SG-SG 3.6Å; C59-C75 HydrophobicContact CB-CB 4.33Å; C59-C75 WeakPolarHBondContact CB-SG 3.16Å; C59-C75 PolarHBondContact N-SG 3.12Å; C59-C75 CarbonylContact O-C 3.47Å; C59-C75 WeakPolarHBondContact O-CA 3.39Å; C59-C75 WeakPolarHBondContact O-CB 3.4Å; C59-C75 WeakPolarHBondContact SG-CB 3.25Å; C59-C75 CovalentContact SG-SG 2.07Å; C59-C75 PolarHBondContact SG-SG 2.8Å; C59-G76 PolarHBondContact O-N 3.17Å | ||
| 60 | G | 73.3 | Confident | 72.3 | Confident | 41 Ų | 41 | 35 Ų | 35 | 42% | 0.423 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -60 | -44.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | C43 G44 G76 S77 | C43-G60 PolarHBondContact O-N 2.81Å; C43-G60 VanDerWaalsContact O-N 3.12Å; G44-G60 CarbonylContact O-C 3.47Å; G44-G60 WeakPolarHBondContact O-CA 2.92Å; G44-G60 PolarHBondContact O-N 3.09Å; G60-G76 CarbonylContact O-C 3.44Å; G60-G76 VanDerWaalsContact O-CA 3.3Å; G60-G76 WeakPolarHBondContact O-CA 3.48Å; G60-G76 PolarHBondContact O-N 3.49Å; G60-S77 PolarHBondContact O-N 3.21Å; G60-S77 VanDerWaalsContact O-N 3.1Å |
| 61 | S | 77.1 | Confident | 72.9 | Confident | 51 Ų | 51 | 31.5 Ų | 31.5 | 36% | 0.357 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 139.6 | 174.3 | -71.3 | 0 | 0 | 0 | 0 | 111.7 | G44 S45 C46 C59 S77 | G44-S61 PolarHBondContact O-N 3.13Å; G44-S61 VanDerWaalsContact O-N 3.14Å; S45-S61 CarbonylContact C-O 3.42Å; S45-S61 VanDerWaalsContact CA-O 3.25Å; S45-S61 WeakPolarHBondContact CA-O 3.21Å; C46-S61 PolarHBondContact N-O 2.87Å; C59-S61 VanDerWaalsContact C-N 3.31Å; C59-S61 PolarHBondContact O-N 3.46Å; S61-S77 CarbonylContact C-O 3.48Å; S61-S77 VanDerWaalsContact CA-O 3.23Å; S61-S77 WeakPolarHBondContact CA-O 3.22Å |
| 62 | C | 74.8 | Confident | 73.4 | Confident | 5 Ų | 5 | 29.5 Ų | 29.5 | 3% | 0.034 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 136.2 | 167.4 | 53.2 | 0 | 0 | 0 | 0 | 113.9 | C46 C56 C59 C75 S77 C78 G79 | C46-C62 HydrophobicContact CB-CB 4.09Å; C46-C62 CarbonylContact O-C 3.47Å; C46-C62 WeakPolarHBondContact O-CA 3.23Å; C56-C62 HydrophobicContact CB-CB 3.97Å; C59-C62 WeakPolarHBondContact SG-CB 3.24Å; C59-C62 VanDerWaalsContact SG-SG 3.6Å; C62-C75 VanDerWaalsContact SG-SG 3.61Å; C62-S77 PolarHBondContact N-O 2.99Å; C62-C78 CarbonylContact O-C 3.43Å; C62-C78 WeakPolarHBondContact O-CA 3.29Å; C62-C78 WeakPolarHBondContact SG-CB 3.19Å; C62-G79 PolarHBondContact O-N 2.8Å |
| 63 | G | 74.1 | Confident | 73.8 | Confident | 15 Ų | 15 | 30.5 Ų | 30.5 | 16% | 0.155 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.8 | -169.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | C46 G47 G48 C65 G79 | C46-G63 PolarHBondContact O-N 3.14Å; G47-G63 CarbonylContact C-O 3.49Å; G47-G63 WeakPolarHBondContact CA-O 3.24Å; G48-G63 PolarHBondContact N-O 3.49Å; G48-G63 VanDerWaalsContact N-O 3.09Å; G63-C65 VanDerWaalsContact C-N 3.29Å; G63-C65 PolarHBondContact O-N 2.75Å; G63-G79 CarbonylContact C-O 3.41Å; G63-G79 WeakPolarHBondContact CA-O 3.19Å |
| 64 | G | 73 | Confident | 74.1 | Confident | 47 Ų | 47 | 32.4 Ų | 32.4 | 49% | 0.485 | 27% | 0.27 | S | S | . | . | trans | 73.9 | 12.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | G79 | G64-G79 PolarHBondContact N-O 2.91Å; G64-G79 VanDerWaalsContact N-O 3.09Å | ||
| 65 | C | 70.8 | Confident | 74.4 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.007 | 26% | 0.256 | C | S | . | . | trans | -77 | 140.7 | 179 | -63.6 | 0 | 0 | 0 | 0 | 111.7 | C49 G63 G68 C81 K82 | C49-C65 WeakPolarHBondContact O-CA 3.42Å; G63-C65 VanDerWaalsContact C-N 3.29Å; G63-C65 PolarHBondContact O-N 2.75Å; C65-G68 WeakPolarHBondContact CB-O 3.27Å; C65-C81 WeakPolarHBondContact O-CA 3.23Å; C65-K82 PolarHBondContact O-N 3.26Å | ||
| 66 | K | 73.9 | Confident | 74.5 | Confident | 120 Ų | 120 | 30.3 Ų | 30.3 | 52% | 0.522 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -68.2 | -44.7 | 172.6 | -79.4 | -170 | -178.5 | -176.8 | 0 | 110.8 | C49 K50 G68 K82 G83 | C49-K66 PolarHBondContact O-N 2.76Å; K50-K66 WeakPolarHBondContact O-CB 3.09Å; K66-G68 PolarHBondContact O-N 3.5Å; K66-K82 HydrophobicContact CG-CD 4.42Å; K66-K82 WeakPolarHBondContact O-CB 3.21Å; K66-G83 PolarHBondContact O-N 3Å |
| 67 | G | 70.9 | Confident | 75 | Confident | 46 Ų | 46 | 32.6 Ų | 32.6 | 47% | 0.474 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -76.7 | -12.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116 | K50 | K50-G67 PolarHBondContact O-N 2.85Š|
| 68 | G | 74 | Confident | 75.2 | Confident | 7 Ų | 7 | 31.5 Ų | 31.5 | 7% | 0.072 | 26% | 0.261 | C | S | . | . | trans | 103.2 | 173.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | G52 C53 C65 K66 G84 | G52-G68 CarbonylContact C-O 3.55Å; G52-G68 WeakPolarHBondContact CA-O 3.37Å; C53-G68 PolarHBondContact N-O 2.76Å; C65-G68 WeakPolarHBondContact CB-O 3.27Å; K66-G68 PolarHBondContact O-N 3.5Å; G68-G84 CarbonylContact C-O 3.43Å; G68-G84 WeakPolarHBondContact CA-O 3.22Å | ||
| 69 | C | 74.4 | Confident | 75.4 | Confident | 7 Ų | 7 | 29.9 Ų | 29.9 | 5% | 0.047 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 134.6 | 168.6 | -69.3 | 0 | 0 | 0 | 0 | 109.4 | C53 C81 G84 C85 G86 | C53-C69 CarbonylContact O-C 3.37Å; C53-C69 VanDerWaalsContact O-CA 3.23Å; C53-C69 WeakPolarHBondContact O-CA 3.14Å; C69-C81 PolarHBondContact SG-SG 3.22Å; C69-G84 PolarHBondContact N-O 2.85Å; C69-C85 CarbonylContact O-C 3.39Å; C69-C85 VanDerWaalsContact O-CA 3.23Å; C69-C85 WeakPolarHBondContact O-CA 3.46Å; C69-G86 PolarHBondContact O-N 2.93Å |
| 70 | G | 74.6 | Confident | 75.6 | Confident | 32 Ų | 32 | 31.9 Ų | 31.9 | 33% | 0.33 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | -63.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | C53 G54 G86 S87 | C53-G70 PolarHBondContact O-N 2.91Å; G54-G70 CarbonylContact O-C 3.33Å; G54-G70 WeakPolarHBondContact O-CA 3.12Å; G54-G70 PolarHBondContact O-N 3.28Å; G70-G86 CarbonylContact O-C 3.48Å; G70-G86 WeakPolarHBondContact O-CA 3.35Å; G70-G86 PolarHBondContact O-N 2.93Å; G70-S87 PolarHBondContact O-N 3.26Å |
| 71 | S | 81.1 | Confident | 75.6 | Confident | 54 Ų | 54 | 30 Ų | 30 | 38% | 0.378 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 129.5 | -179.1 | -62.2 | 0 | 0 | 0 | 0 | 111 | G54 S55 C56 S87 | G54-S71 PolarHBondContact O-N 3.15Å; S55-S71 CarbonylContact C-O 3.37Å; S55-S71 VanDerWaalsContact CA-O 3.28Å; S55-S71 WeakPolarHBondContact CA-O 3.49Å; C56-S71 PolarHBondContact N-O 2.81Å; S71-S87 CarbonylContact C-O 3.46Å; S71-S87 VanDerWaalsContact CA-O 3.25Å; S71-S87 WeakPolarHBondContact CA-O 3.34Å |
| 72 | C | 75.4 | Confident | 75.7 | Confident | 6 Ų | 6 | 33.1 Ų | 33.1 | 4% | 0.041 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 128.2 | 176.7 | -60.7 | 0 | 0 | 0 | 0 | 109.4 | C56 C78 S87 C88 G89 | C56-C72 CarbonylContact O-C 3.43Å; C56-C72 VanDerWaalsContact O-CA 3.24Å; C56-C72 WeakPolarHBondContact O-CA 3.39Å; C72-C78 HydrophobicContact CB-CB 3.94Å; C72-S87 PolarHBondContact N-O 2.75Å; C72-C88 CarbonylContact O-C 3.43Å; C72-C88 VanDerWaalsContact O-CA 3.24Å; C72-C88 WeakPolarHBondContact O-CA 3.16Å; C72-G89 PolarHBondContact O-N 3.49Å |
| 73 | G | 78.7 | Confident | 75.7 | Confident | 29 Ų | 29 | 35.1 Ų | 35.1 | 30% | 0.299 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 133.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | C56 G57 G58 C75 G89 | C56-G73 PolarHBondContact O-N 2.89Å; G57-G73 CarbonylContact C-O 3.45Å; G57-G73 VanDerWaalsContact CA-O 3.23Å; G57-G73 WeakPolarHBondContact CA-O 3.03Å; G58-G73 PolarHBondContact N-O 2.07Å; G73-C75 PolarHBondContact O-N 3.27Å; G73-C75 VanDerWaalsContact O-N 3.15Å; G73-G89 CarbonylContact C-O 3.41Å; G73-G89 VanDerWaalsContact CA-O 3.22Å; G73-G89 WeakPolarHBondContact CA-O 2.97Å |
| 74 | G | 75.5 | Confident | 75.8 | Confident | 47 Ų | 47 | 34.7 Ų | 34.7 | 49% | 0.485 | 27% | 0.27 | S | S | . | . | S | Bend | trans | 62.2 | 27.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G58 G89 G90 | G58-G74 WeakPolarHBondContact CA-O 3.21Å; G74-G89 PolarHBondContact N-O 3.45Å; G74-G90 WeakPolarHBondContact CA-O 3.02Å |
| 75 | C | 76.3 | Confident | 76 | Confident | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.014 | 25% | 0.249 | C | C | . | . | trans | -97.8 | 146.2 | 178.5 | -64.8 | 0 | 0 | 0 | 0 | 112.3 | C59 C62 G73 S77 C91 G92 | C59-C75 HydrophobicContact CB-CB 4.33Å; C59-C75 WeakPolarHBondContact CB-SG 3.16Å; C59-C75 PolarHBondContact N-SG 3.12Å; C59-C75 CarbonylContact O-C 3.47Å; C59-C75 WeakPolarHBondContact O-CA 3.39Å; C59-C75 WeakPolarHBondContact O-CB 3.4Å; C59-C75 WeakPolarHBondContact SG-CB 3.25Å; C59-C75 CovalentContact SG-SG 2.07Å; C59-C75 PolarHBondContact SG-SG 2.8Å; C62-C75 VanDerWaalsContact SG-SG 3.61Å; G73-C75 PolarHBondContact O-N 3.27Å; G73-C75 VanDerWaalsContact O-N 3.15Å; C75-S77 VanDerWaalsContact C-N 3.32Å; C75-S77 PolarHBondContact O-N 3.37Å; C75-C91 CarbonylContact O-C 3.54Å; C75-C91 WeakPolarHBondContact O-CA 2.92Å; C75-C91 VanDerWaalsContact O-CB 3.3Å; C75-C91 WeakPolarHBondContact O-CB 2.98Å; C75-G92 PolarHBondContact O-N 3.15Å | ||
| 76 | G | 78.1 | Confident | 76.3 | Confident | 40 Ų | 40 | 34.3 Ų | 34.3 | 41% | 0.412 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -57.6 | -45.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | C59 G60 G92 S93 | C59-G76 PolarHBondContact O-N 3.17Å; G60-G76 CarbonylContact O-C 3.44Å; G60-G76 VanDerWaalsContact O-CA 3.3Å; G60-G76 WeakPolarHBondContact O-CA 3.48Å; G60-G76 PolarHBondContact O-N 3.49Å; G76-G92 CarbonylContact O-C 3.46Å; G76-G92 VanDerWaalsContact O-CA 3.22Å; G76-G92 WeakPolarHBondContact O-CA 3.22Å; G76-G92 PolarHBondContact O-N 3.29Å; G76-S93 PolarHBondContact O-N 2.85Å |
| 77 | S | 81.7 | Confident | 76.8 | Confident | 53 Ų | 53 | 31.1 Ų | 31.1 | 37% | 0.371 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 141.3 | 172.4 | -71.5 | 0 | 0 | 0 | 0 | 111.7 | G60 S61 C62 C75 S93 | G60-S77 PolarHBondContact O-N 3.21Å; G60-S77 VanDerWaalsContact O-N 3.1Å; S61-S77 CarbonylContact C-O 3.48Å; S61-S77 VanDerWaalsContact CA-O 3.23Å; S61-S77 WeakPolarHBondContact CA-O 3.22Å; C62-S77 PolarHBondContact N-O 2.99Å; C75-S77 VanDerWaalsContact C-N 3.32Å; C75-S77 PolarHBondContact O-N 3.37Å; S77-S93 CarbonylContact C-O 3.43Å; S77-S93 VanDerWaalsContact CA-O 3.28Å; S77-S93 WeakPolarHBondContact CA-O 3.21Å |
| 78 | C | 77.4 | Confident | 77.1 | Confident | 7 Ų | 7 | 29.1 Ų | 29.1 | 5% | 0.047 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 133.3 | 171.9 | 68.7 | 0 | 0 | 0 | 0 | 113.3 | C62 C72 C88 C91 S93 C94 G95 | C62-C78 CarbonylContact O-C 3.43Å; C62-C78 WeakPolarHBondContact O-CA 3.29Å; C62-C78 WeakPolarHBondContact SG-CB 3.19Å; C72-C78 HydrophobicContact CB-CB 3.94Å; C78-C88 PolarHBondContact SG-SG 3.49Å; C78-C91 PolarHBondContact SG-SG 3.09Å; C78-S93 PolarHBondContact N-O 3.43Å; C78-C94 CarbonylContact O-C 3.59Å; C78-C94 WeakPolarHBondContact O-CA 3.08Å; C78-C94 WeakPolarHBondContact SG-CB 3.4Å; C78-G95 PolarHBondContact O-N 3.26Å |
| 79 | G | 76.3 | Confident | 77.5 | Confident | 14 Ų | 14 | 30.2 Ų | 30.2 | 14% | 0.144 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.1 | -167 | -175.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | C62 G63 G64 C81 G95 | C62-G79 PolarHBondContact O-N 2.8Å; G63-G79 CarbonylContact C-O 3.41Å; G63-G79 WeakPolarHBondContact CA-O 3.19Å; G64-G79 PolarHBondContact N-O 2.91Å; G64-G79 VanDerWaalsContact N-O 3.09Å; G79-C81 VanDerWaalsContact C-N 3.27Å; G79-C81 PolarHBondContact O-N 3.19Å; G79-G95 CarbonylContact C-O 3.49Å; G79-G95 WeakPolarHBondContact CA-O 3.1Å |
| 80 | G | 75.7 | Confident | 77.7 | Confident | 46 Ų | 46 | 32.1 Ų | 32.1 | 47% | 0.474 | 27% | 0.268 | S | S | . | . | trans | 71.7 | 14.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | G95 | G80-G95 PolarHBondContact N-O 2.72Š| ||
| 81 | C | 74.9 | Confident | 77.9 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | trans | -80.1 | 142.5 | 179.8 | -63.6 | 0 | 0 | 0 | 0 | 111.9 | C65 C69 G79 G84 C97 K98 | C65-C81 WeakPolarHBondContact O-CA 3.23Å; C69-C81 PolarHBondContact SG-SG 3.22Å; G79-C81 VanDerWaalsContact C-N 3.27Å; G79-C81 PolarHBondContact O-N 3.19Å; C81-G84 WeakPolarHBondContact CB-O 3.23Å; C81-C97 CarbonylContact O-C 3.43Å; C81-C97 WeakPolarHBondContact O-CA 3.45Å; C81-K98 PolarHBondContact O-N 2.89Å | ||
| 82 | K | 77.8 | Confident | 77.9 | Confident | 117 Ų | 117 | 30 Ų | 30 | 51% | 0.509 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -69 | -46.4 | 172.4 | -76.2 | -167.9 | -178.3 | -175.9 | 0 | 110.8 | C65 K66 G84 K98 G99 | C65-K82 PolarHBondContact O-N 3.26Å; K66-K82 HydrophobicContact CG-CD 4.42Å; K66-K82 WeakPolarHBondContact O-CB 3.21Å; K82-G84 VanDerWaalsContact C-N 3.31Å; K82-G84 PolarHBondContact O-N 2.76Å; K82-K98 HydrophobicContact CG-CD 4.38Å; K82-K98 WeakPolarHBondContact O-CB 3.07Å; K82-G99 PolarHBondContact O-N 2.88Å |
| 83 | G | 74.5 | Confident | 78.3 | Confident | 47 Ų | 47 | 32.2 Ų | 32.2 | 49% | 0.485 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -73.2 | -14.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | K66 | K66-G83 PolarHBondContact O-N 3Š|
| 84 | G | 77.2 | Confident | 78.4 | Confident | 6 Ų | 6 | 31.1 Ų | 31.1 | 6% | 0.062 | 26% | 0.258 | C | S | . | . | trans | 105.1 | 174.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | G68 C69 C81 K82 G100 | G68-G84 CarbonylContact C-O 3.43Å; G68-G84 WeakPolarHBondContact CA-O 3.22Å; C69-G84 PolarHBondContact N-O 2.85Å; C81-G84 WeakPolarHBondContact CB-O 3.23Å; K82-G84 VanDerWaalsContact C-N 3.31Å; K82-G84 PolarHBondContact O-N 2.76Å; G84-G100 CarbonylContact C-O 3.53Å; G84-G100 WeakPolarHBondContact CA-O 3.37Å | ||
| 85 | C | 77 | Confident | 78.5 | Confident | 6 Ų | 6 | 29.6 Ų | 29.6 | 4% | 0.041 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 132.4 | 166.8 | -70.5 | 0 | 0 | 0 | 0 | 109.2 | C69 C97 G100 C101 G102 | C69-C85 CarbonylContact O-C 3.39Å; C69-C85 VanDerWaalsContact O-CA 3.23Å; C69-C85 WeakPolarHBondContact O-CA 3.46Å; C85-C97 PolarHBondContact SG-SG 2.84Å; C85-G100 PolarHBondContact N-O 3.48Å; C85-C101 CarbonylContact O-C 3.44Å; C85-C101 VanDerWaalsContact O-CA 3.23Å; C85-C101 WeakPolarHBondContact O-CA 3.3Å; C85-G102 PolarHBondContact O-N 2.78Å |
| 86 | G | 77.6 | Confident | 78.7 | Confident | 33 Ų | 33 | 31.7 Ų | 31.7 | 34% | 0.34 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | -63.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | C69 G70 G102 S103 | C69-G86 PolarHBondContact O-N 2.93Å; G70-G86 CarbonylContact O-C 3.48Å; G70-G86 WeakPolarHBondContact O-CA 3.35Å; G70-G86 PolarHBondContact O-N 2.93Å; G86-G102 CarbonylContact O-C 3.59Å; G86-G102 WeakPolarHBondContact O-CA 3.3Å; G86-G102 PolarHBondContact O-N 3.05Å; G86-S103 PolarHBondContact O-N 2.96Å |
| 87 | S | 83.7 | Confident | 78.7 | Confident | 53 Ų | 53 | 29.8 Ų | 29.8 | 37% | 0.371 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 136.4 | 179.9 | -61 | 0 | 0 | 0 | 0 | 111.4 | G70 S71 C72 S103 | G70-S87 PolarHBondContact O-N 3.26Å; S71-S87 CarbonylContact C-O 3.46Å; S71-S87 VanDerWaalsContact CA-O 3.25Å; S71-S87 WeakPolarHBondContact CA-O 3.34Å; C72-S87 PolarHBondContact N-O 2.75Å; S87-S103 CarbonylContact C-O 3.43Å; S87-S103 VanDerWaalsContact CA-O 3.23Å; S87-S103 WeakPolarHBondContact CA-O 3.35Å |
| 88 | C | 77.9 | Confident | 78.6 | Confident | 4 Ų | 4 | 32.8 Ų | 32.8 | 3% | 0.027 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 122 | 177.2 | -60.5 | 0 | 0 | 0 | 0 | 109.1 | C72 C78 C94 S103 C104 G105 | C72-C88 CarbonylContact O-C 3.43Å; C72-C88 VanDerWaalsContact O-CA 3.24Å; C72-C88 WeakPolarHBondContact O-CA 3.16Å; C78-C88 PolarHBondContact SG-SG 3.49Å; C88-C94 HydrophobicContact CB-CB 3.96Å; C88-S103 PolarHBondContact N-O 2.79Å; C88-C104 CarbonylContact O-C 3.44Å; C88-C104 VanDerWaalsContact O-CA 3.26Å; C88-C104 WeakPolarHBondContact O-CA 3.12Å; C88-G105 PolarHBondContact O-N 3.1Å |
| 89 | G | 81.1 | Confident | 78.5 | Confident | 30 Ų | 30 | 34.7 Ų | 34.7 | 31% | 0.309 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 131.8 | -175 | 0 | 0 | 0 | 0 | 0 | 112.4 | C72 G73 G74 C91 G105 | C72-G89 PolarHBondContact O-N 3.49Å; G73-G89 CarbonylContact C-O 3.41Å; G73-G89 VanDerWaalsContact CA-O 3.22Å; G73-G89 WeakPolarHBondContact CA-O 2.97Å; G74-G89 PolarHBondContact N-O 3.45Å; G89-C91 PolarHBondContact O-N 2.83Å; G89-G105 CarbonylContact C-O 3.46Å; G89-G105 WeakPolarHBondContact CA-O 3.26Å |
| 90 | G | 78.5 | Confident | 78.7 | Confident | 47 Ų | 47 | 34.3 Ų | 34.3 | 49% | 0.485 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 63.2 | 29.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114 | G74 G105 G106 | G74-G90 WeakPolarHBondContact CA-O 3.02Å; G90-G105 PolarHBondContact N-O 3.31Å; G90-G106 WeakPolarHBondContact CA-O 3.25Å |
| 91 | C | 79.9 | Confident | 78.8 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.014 | 25% | 0.246 | C | C | . | . | trans | -91.4 | 144.7 | 179.7 | -68.1 | 0 | 0 | 0 | 0 | 111.8 | C75 C78 G89 S93 C94 C107 G108 | C75-C91 CarbonylContact O-C 3.54Å; C75-C91 WeakPolarHBondContact O-CA 2.92Å; C75-C91 VanDerWaalsContact O-CB 3.3Å; C75-C91 WeakPolarHBondContact O-CB 2.98Å; C78-C91 PolarHBondContact SG-SG 3.09Å; G89-C91 PolarHBondContact O-N 2.83Å; C91-S93 VanDerWaalsContact C-N 3.31Å; C91-S93 PolarHBondContact O-N 3Å; C91-C94 HydrophobicContact CB-CB 4.45Å; C91-C107 CarbonylContact O-C 3.43Å; C91-C107 WeakPolarHBondContact O-CA 3.22Å; C91-C107 WeakPolarHBondContact O-CB 3.11Å; C91-G108 PolarHBondContact O-N 3.25Å | ||
| 92 | G | 81.3 | Confident | 79.1 | Confident | 39 Ų | 39 | 33.2 Ų | 33.2 | 40% | 0.402 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -58.6 | -46.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | C75 G76 G108 S109 | C75-G92 PolarHBondContact O-N 3.15Å; G76-G92 CarbonylContact O-C 3.46Å; G76-G92 VanDerWaalsContact O-CA 3.22Å; G76-G92 WeakPolarHBondContact O-CA 3.22Å; G76-G92 PolarHBondContact O-N 3.29Å; G92-G108 CarbonylContact O-C 3.5Å; G92-G108 VanDerWaalsContact O-CA 3.27Å; G92-G108 WeakPolarHBondContact O-CA 3.04Å; G92-G108 PolarHBondContact O-N 3.4Å; G92-S109 PolarHBondContact O-N 3Å |
| 93 | S | 84.4 | Confident | 79.4 | Confident | 54 Ų | 54 | 30.3 Ų | 30.3 | 38% | 0.378 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 141.8 | 172.9 | -71.9 | 0 | 0 | 0 | 0 | 111.8 | G76 S77 C78 C91 S109 | G76-S93 PolarHBondContact O-N 2.85Å; S77-S93 CarbonylContact C-O 3.43Å; S77-S93 VanDerWaalsContact CA-O 3.28Å; S77-S93 WeakPolarHBondContact CA-O 3.21Å; C78-S93 PolarHBondContact N-O 3.43Å; C91-S93 VanDerWaalsContact C-N 3.31Å; C91-S93 PolarHBondContact O-N 3Å; S93-S109 CarbonylContact C-O 3.47Å; S93-S109 VanDerWaalsContact CA-O 3.31Å; S93-S109 WeakPolarHBondContact CA-O 3.46Å |
| 94 | C | 79.9 | Confident | 79.6 | Confident | 5 Ų | 5 | 28.3 Ų | 28.3 | 3% | 0.034 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 130.6 | 173.8 | 65.5 | 0 | 0 | 0 | 0 | 113.1 | C78 C88 C91 C104 C107 S109 C110 G111 | C78-C94 CarbonylContact O-C 3.59Å; C78-C94 WeakPolarHBondContact O-CA 3.08Å; C78-C94 WeakPolarHBondContact SG-CB 3.4Å; C88-C94 HydrophobicContact CB-CB 3.96Å; C91-C94 HydrophobicContact CB-CB 4.45Å; C94-C104 PolarHBondContact SG-SG 3.38Å; C94-C107 PolarHBondContact SG-SG 3.41Å; C94-S109 PolarHBondContact N-O 2.72Å; C94-C110 CarbonylContact O-C 3.42Å; C94-C110 WeakPolarHBondContact O-CA 3.14Å; C94-C110 VanDerWaalsContact SG-CA 3.6Å; C94-C110 WeakPolarHBondContact SG-CB 3.3Å; C94-G111 PolarHBondContact O-N 2.79Å |
| 95 | G | 78.3 | Confident | 79.9 | Confident | 15 Ų | 15 | 29.4 Ų | 29.4 | 16% | 0.155 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.7 | -168.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | C78 G79 G80 C97 G111 | C78-G95 PolarHBondContact O-N 3.26Å; G79-G95 CarbonylContact C-O 3.49Å; G79-G95 WeakPolarHBondContact CA-O 3.1Å; G80-G95 PolarHBondContact N-O 2.72Å; G95-C97 VanDerWaalsContact C-N 3.26Å; G95-C97 PolarHBondContact O-N 3.48Å; G95-G111 CarbonylContact C-O 3.5Å; G95-G111 WeakPolarHBondContact CA-O 3.15Å |
| 96 | G | 78.7 | Confident | 80.1 | Confident | 46 Ų | 46 | 31.4 Ų | 31.4 | 47% | 0.474 | 26% | 0.261 | S | S | . | . | trans | 71.3 | 14.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | G111 | G96-G111 PolarHBondContact N-O 3.48Š| ||
| 97 | C | 78.1 | Confident | 80.3 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.007 | 25% | 0.246 | C | C | . | . | trans | -79.7 | 142.1 | 179.9 | -65 | 0 | 0 | 0 | 0 | 111.9 | C81 C85 G95 G100 C113 K114 | C81-C97 CarbonylContact O-C 3.43Å; C81-C97 WeakPolarHBondContact O-CA 3.45Å; C85-C97 PolarHBondContact SG-SG 2.84Å; G95-C97 VanDerWaalsContact C-N 3.26Å; G95-C97 PolarHBondContact O-N 3.48Å; C97-G100 WeakPolarHBondContact CB-O 3.39Å; C97-C113 PolarHBondContact N-SG 2.97Å; C97-C113 CarbonylContact O-C 3.54Å; C97-C113 WeakPolarHBondContact O-CA 3.29Å; C97-K114 PolarHBondContact O-N 3.17Å | ||
| 98 | K | 80 | Confident | 80.2 | Confident | 116 Ų | 116 | 29.4 Ų | 29.4 | 50% | 0.504 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -69.7 | -46.4 | 172.6 | -73.8 | -167.8 | -178.4 | -175.6 | 0 | 110.9 | C81 K82 G100 K114 G115 | C81-K98 PolarHBondContact O-N 2.89Å; K82-K98 HydrophobicContact CG-CD 4.38Å; K82-K98 WeakPolarHBondContact O-CB 3.07Å; K98-G100 VanDerWaalsContact C-N 3.29Å; K98-G100 PolarHBondContact O-N 2.74Å; K98-K114 HydrophobicContact CG-CD 4.38Å; K98-K114 WeakPolarHBondContact O-CB 3.23Å; K98-G115 PolarHBondContact O-N 3.48Å |
| 99 | G | 76.7 | Confident | 80.6 | Confident | 47 Ų | 47 | 31.7 Ų | 31.7 | 49% | 0.485 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -72.4 | -12.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | K82 | K82-G99 PolarHBondContact O-N 2.88Š|
| 100 | G | 78.7 | Confident | 80.5 | Confident | 6 Ų | 6 | 30.6 Ų | 30.6 | 6% | 0.062 | 25% | 0.252 | C | S | . | . | trans | 103.3 | 175.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | G84 C85 C97 K98 G116 | G84-G100 CarbonylContact C-O 3.53Å; G84-G100 WeakPolarHBondContact CA-O 3.37Å; C85-G100 PolarHBondContact N-O 3.48Å; C97-G100 WeakPolarHBondContact CB-O 3.39Å; K98-G100 VanDerWaalsContact C-N 3.29Å; K98-G100 PolarHBondContact O-N 2.74Å; G100-G116 CarbonylContact C-O 3.42Å; G100-G116 WeakPolarHBondContact CA-O 3.25Å | ||
| 101 | C | 79.2 | Confident | 80.6 | Confident | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.02 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 134.8 | 166.3 | -68.3 | 0 | 0 | 0 | 0 | 109.1 | C85 C113 G116 C117 S118 | C85-C101 CarbonylContact O-C 3.44Å; C85-C101 VanDerWaalsContact O-CA 3.23Å; C85-C101 WeakPolarHBondContact O-CA 3.3Å; C101-C113 PolarHBondContact SG-SG 3.4Å; C101-G116 PolarHBondContact N-O 2.79Å; C101-C117 CarbonylContact O-C 3.48Å; C101-C117 WeakPolarHBondContact O-CA 3.07Å; C101-S118 PolarHBondContact O-N 3.25Å |
| 102 | G | 80 | Confident | 80.6 | Confident | 20 Ų | 20 | 31.2 Ų | 31.2 | 21% | 0.206 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | -74 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | C85 G86 S118 S119 | C85-G102 PolarHBondContact O-N 2.78Å; G86-G102 CarbonylContact O-C 3.59Å; G86-G102 WeakPolarHBondContact O-CA 3.3Å; G86-G102 PolarHBondContact O-N 3.05Å; G102-S118 CarbonylContact O-C 3.58Å; G102-S118 WeakPolarHBondContact O-CA 3.06Å; G102-S118 WeakPolarHBondContact O-CB 3.33Å; G102-S118 PolarHBondContact O-N 2.76Å; G102-S119 PolarHBondContact O-N 3.48Å |
| 103 | S | 84.8 | Confident | 80.5 | Confident | 57 Ų | 57 | 29.4 Ų | 29.4 | 40% | 0.399 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 120 | -174.8 | -64.7 | 0 | 0 | 0 | 0 | 111.8 | G86 S87 C88 S119 | G86-S103 PolarHBondContact O-N 2.96Å; S87-S103 CarbonylContact C-O 3.43Å; S87-S103 VanDerWaalsContact CA-O 3.23Å; S87-S103 WeakPolarHBondContact CA-O 3.35Å; C88-S103 PolarHBondContact N-O 2.79Å; S103-S119 CarbonylContact C-O 3.43Å; S103-S119 WeakPolarHBondContact CA-O 3.21Å |
| 104 | C | 79.5 | Confident | 80.3 | Confident | 4 Ų | 4 | 32.4 Ų | 32.4 | 3% | 0.027 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 124.6 | 175.9 | -66.5 | 0 | 0 | 0 | 0 | 109.8 | C88 C94 C110 S119 C120 G121 | C88-C104 CarbonylContact O-C 3.44Å; C88-C104 VanDerWaalsContact O-CA 3.26Å; C88-C104 WeakPolarHBondContact O-CA 3.12Å; C94-C104 PolarHBondContact SG-SG 3.38Å; C104-C110 HydrophobicContact CB-CB 3.85Å; C104-S119 PolarHBondContact N-O 3.46Å; C104-C120 CarbonylContact O-C 3.5Å; C104-C120 WeakPolarHBondContact O-CA 3.2Å; C104-G121 PolarHBondContact O-N 3.06Å |
| 105 | G | 82.5 | Confident | 80.3 | Confident | 30 Ų | 30 | 34.4 Ų | 34.4 | 31% | 0.309 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 130.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | C88 G89 G90 C107 G121 | C88-G105 PolarHBondContact O-N 3.1Å; G89-G105 CarbonylContact C-O 3.46Å; G89-G105 WeakPolarHBondContact CA-O 3.26Å; G90-G105 PolarHBondContact N-O 3.31Å; G105-C107 PolarHBondContact O-N 2.92Å; G105-C107 PolarHBondContact O-SG 3.14Å; G105-G121 CarbonylContact C-O 3.53Å; G105-G121 VanDerWaalsContact CA-O 3.22Å; G105-G121 WeakPolarHBondContact CA-O 2.95Å |
| 106 | G | 80.9 | Confident | 80.4 | Confident | 47 Ų | 47 | 34 Ų | 34 | 49% | 0.485 | 26% | 0.263 | S | S | . | . | S | Bend | trans | 63.4 | 25.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | G90 G121 G122 | G90-G106 WeakPolarHBondContact CA-O 3.25Å; G106-G121 PolarHBondContact N-O 3.03Å; G106-G122 WeakPolarHBondContact CA-O 2.99Å |
| 107 | C | 81.4 | Confident | 80.5 | Confident | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.02 | 24% | 0.242 | C | C | . | . | trans | -89.5 | 144.7 | -179.3 | -60.9 | 0 | 0 | 0 | 0 | 111.3 | C91 C94 G105 S109 C110 C123 G124 | C91-C107 CarbonylContact O-C 3.43Å; C91-C107 WeakPolarHBondContact O-CA 3.22Å; C91-C107 WeakPolarHBondContact O-CB 3.11Å; C94-C107 PolarHBondContact SG-SG 3.41Å; G105-C107 PolarHBondContact O-N 2.92Å; G105-C107 PolarHBondContact O-SG 3.14Å; C107-S109 VanDerWaalsContact C-N 3.33Å; C107-S109 PolarHBondContact O-N 3.39Å; C107-C110 HydrophobicContact CB-CB 4.44Å; C107-C123 CarbonylContact O-C 3.46Å; C107-C123 WeakPolarHBondContact O-CA 3.18Å; C107-C123 WeakPolarHBondContact O-CB 3.37Å; C107-G124 PolarHBondContact O-N 3.41Å | ||
| 108 | G | 82.7 | Confident | 80.8 | Confident | 41 Ų | 41 | 35.8 Ų | 35.8 | 42% | 0.423 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -58.3 | -47.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | C91 G92 G124 S125 | C91-G108 PolarHBondContact O-N 3.25Å; G92-G108 CarbonylContact O-C 3.5Å; G92-G108 VanDerWaalsContact O-CA 3.27Å; G92-G108 WeakPolarHBondContact O-CA 3.04Å; G92-G108 PolarHBondContact O-N 3.4Å; G108-G124 CarbonylContact O-C 3.53Å; G108-G124 VanDerWaalsContact O-CA 3.3Å; G108-G124 WeakPolarHBondContact O-CA 3.38Å; G108-G124 PolarHBondContact O-N 3.47Å; G108-S125 PolarHBondContact O-N 2.8Å |
| 109 | S | 85.4 | Confident | 81.1 | Confident | 53 Ų | 53 | 32.6 Ų | 32.6 | 37% | 0.371 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 139 | 172.9 | -71.1 | 0 | 0 | 0 | 0 | 112 | G92 S93 C94 C107 S125 | G92-S109 PolarHBondContact O-N 3Å; S93-S109 CarbonylContact C-O 3.47Å; S93-S109 VanDerWaalsContact CA-O 3.31Å; S93-S109 WeakPolarHBondContact CA-O 3.46Å; C94-S109 PolarHBondContact N-O 2.72Å; C107-S109 VanDerWaalsContact C-N 3.33Å; C107-S109 PolarHBondContact O-N 3.39Å; S109-S125 CarbonylContact C-O 3.53Å; S109-S125 VanDerWaalsContact CA-O 3.3Å; S109-S125 WeakPolarHBondContact CA-O 3.09Å |
| 110 | C | 80.9 | Confident | 81.3 | Confident | 6 Ų | 6 | 30.4 Ų | 30.4 | 4% | 0.041 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 128.1 | 175 | 70 | 0 | 0 | 0 | 0 | 113.6 | C94 C104 C107 C120 C123 S125 C126 G127 | C94-C110 CarbonylContact O-C 3.42Å; C94-C110 WeakPolarHBondContact O-CA 3.14Å; C94-C110 VanDerWaalsContact SG-CA 3.6Å; C94-C110 WeakPolarHBondContact SG-CB 3.3Å; C104-C110 HydrophobicContact CB-CB 3.85Å; C107-C110 HydrophobicContact CB-CB 4.44Å; C110-C120 PolarHBondContact SG-SG 2.86Å; C110-C123 PolarHBondContact SG-SG 2.95Å; C110-S125 PolarHBondContact N-O 2.72Å; C110-C126 CarbonylContact O-C 3.43Å; C110-C126 WeakPolarHBondContact O-CA 3.38Å; C110-C126 WeakPolarHBondContact SG-CB 3.34Å; C110-G127 PolarHBondContact O-N 2.9Å |
| 111 | G | 78.9 | Confident | 81.5 | Confident | 15 Ų | 15 | 31.4 Ų | 31.4 | 16% | 0.155 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.7 | -167 | -175.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | C94 G95 G96 C113 G127 | C94-G111 PolarHBondContact O-N 2.79Å; G95-G111 CarbonylContact C-O 3.5Å; G95-G111 WeakPolarHBondContact CA-O 3.15Å; G96-G111 PolarHBondContact N-O 3.48Å; G111-C113 VanDerWaalsContact C-N 3.26Å; G111-C113 PolarHBondContact O-N 2.77Å; G111-G127 CarbonylContact C-O 3.5Å; G111-G127 WeakPolarHBondContact CA-O 3.04Å |
| 112 | G | 79.6 | Confident | 81.6 | Confident | 47 Ų | 47 | 33.6 Ų | 33.6 | 49% | 0.485 | 27% | 0.272 | S | S | . | . | trans | 71.5 | 14.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | G127 | G112-G127 PolarHBondContact N-O 3.44Š| ||
| 113 | C | 79.6 | Confident | 81.8 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.007 | 26% | 0.262 | C | S | . | . | trans | -80.7 | 143.5 | -179.8 | -64.4 | 0 | 0 | 0 | 0 | 111.9 | C97 C101 G111 C129 K130 | C97-C113 PolarHBondContact N-SG 2.97Å; C97-C113 CarbonylContact O-C 3.54Å; C97-C113 WeakPolarHBondContact O-CA 3.29Å; C101-C113 PolarHBondContact SG-SG 3.4Å; G111-C113 VanDerWaalsContact C-N 3.26Å; G111-C113 PolarHBondContact O-N 2.77Å; C113-C129 CarbonylContact O-C 3.45Å; C113-C129 WeakPolarHBondContact O-CA 3.33Å; C113-K130 PolarHBondContact O-N 2.9Å | ||
| 114 | K | 81.5 | Confident | 81.8 | Confident | 117 Ų | 117 | 31.9 Ų | 31.9 | 51% | 0.509 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -69.4 | -46.9 | 172.9 | -73.7 | -167.9 | -178.9 | -174.2 | 0 | 110.9 | C97 K98 G116 K130 G131 | C97-K114 PolarHBondContact O-N 3.17Å; K98-K114 HydrophobicContact CG-CD 4.38Å; K98-K114 WeakPolarHBondContact O-CB 3.23Å; K114-G116 VanDerWaalsContact C-N 3.29Å; K114-G116 PolarHBondContact O-N 2.92Å; K114-K130 HydrophobicContact CG-CD 4.4Å; K114-G131 PolarHBondContact O-N 3.02Å |
| 115 | G | 78.6 | Confident | 82.1 | Confident | 47 Ų | 47 | 34.3 Ų | 34.3 | 49% | 0.485 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -71.3 | -15.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | K98 | K98-G115 PolarHBondContact O-N 3.48Š|
| 116 | G | 81.3 | Confident | 82 | Confident | 6 Ų | 6 | 33.2 Ų | 33.2 | 6% | 0.062 | 27% | 0.267 | C | S | . | . | trans | 101.7 | 177.4 | -174 | 0 | 0 | 0 | 0 | 0 | 113.6 | G100 C101 K114 G132 | G100-G116 CarbonylContact C-O 3.42Å; G100-G116 WeakPolarHBondContact CA-O 3.25Å; C101-G116 PolarHBondContact N-O 2.79Å; K114-G116 VanDerWaalsContact C-N 3.29Å; K114-G116 PolarHBondContact O-N 2.92Å; G116-G132 CarbonylContact C-O 3.58Å; G116-G132 WeakPolarHBondContact CA-O 3.23Å | ||
| 117 | C | 81 | Confident | 81.9 | Confident | 4 Ų | 4 | 31.6 Ų | 31.6 | 3% | 0.027 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 127.9 | 168 | -65.1 | 0 | 0 | 0 | 0 | 109.2 | C101 G132 C133 G134 | C101-C117 CarbonylContact O-C 3.48Å; C101-C117 WeakPolarHBondContact O-CA 3.07Å; C117-G132 PolarHBondContact N-O 2.83Å; C117-C133 CarbonylContact O-C 3.49Å; C117-C133 VanDerWaalsContact O-CA 3.25Å; C117-C133 WeakPolarHBondContact O-CA 3.28Å; C117-G134 PolarHBondContact O-N 2.79Å |
| 118 | S | 83.6 | Confident | 81.9 | Confident | 82 Ų | 82 | 33.6 Ų | 33.6 | 57% | 0.573 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.8 | -41.8 | -178.8 | -49.8 | 0 | 0 | 0 | 0 | 111.8 | C101 G102 G134 S135 | C101-S118 PolarHBondContact O-N 3.25Å; G102-S118 CarbonylContact O-C 3.58Å; G102-S118 WeakPolarHBondContact O-CA 3.06Å; G102-S118 WeakPolarHBondContact O-CB 3.33Å; G102-S118 PolarHBondContact O-N 2.76Å; S118-G134 CarbonylContact O-C 3.36Å; S118-G134 VanDerWaalsContact O-CA 3.29Å; S118-G134 WeakPolarHBondContact O-CA 3.21Å; S118-S135 PolarHBondContact O-N 2.76Å |
| 119 | S | 85.6 | Confident | 81.8 | Confident | 48 Ų | 48 | 31.7 Ų | 31.7 | 34% | 0.336 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 137.7 | 178.3 | -171.5 | 0 | 0 | 0 | 0 | 112 | G102 S103 C104 S135 | G102-S119 PolarHBondContact O-N 3.48Å; S103-S119 CarbonylContact C-O 3.43Å; S103-S119 WeakPolarHBondContact CA-O 3.21Å; C104-S119 PolarHBondContact N-O 3.46Å; S119-S135 CarbonylContact C-O 3.45Å; S119-S135 VanDerWaalsContact CA-O 3.22Å; S119-S135 WeakPolarHBondContact CA-O 3.21Å |
| 120 | C | 80.9 | Confident | 81.6 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.007 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 114.6 | 175.9 | -64.9 | 0 | 0 | 0 | 0 | 110.1 | C104 C110 C126 S135 C136 G137 | C104-C120 CarbonylContact O-C 3.5Å; C104-C120 WeakPolarHBondContact O-CA 3.2Å; C110-C120 PolarHBondContact SG-SG 2.86Å; C120-C126 HydrophobicContact CB-CB 3.92Å; C120-S135 PolarHBondContact N-O 2.86Å; C120-C136 CarbonylContact O-C 3.47Å; C120-C136 WeakPolarHBondContact O-CA 3.05Å; C120-G137 PolarHBondContact O-N 3.25Å |
| 121 | G | 84 | Confident | 81.5 | Confident | 28 Ų | 28 | 36.6 Ų | 36.6 | 29% | 0.289 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 137.7 | 180 | 0 | 0 | 0 | 0 | 0 | 112.5 | C104 G105 G106 C123 G137 | C104-G121 PolarHBondContact O-N 3.06Å; G105-G121 CarbonylContact C-O 3.53Å; G105-G121 VanDerWaalsContact CA-O 3.22Å; G105-G121 WeakPolarHBondContact CA-O 2.95Å; G106-G121 PolarHBondContact N-O 3.03Å; G121-C123 PolarHBondContact O-N 3.16Å; G121-C123 PolarHBondContact O-SG 2.8Å; G121-G137 CarbonylContact C-O 3.5Å; G121-G137 WeakPolarHBondContact CA-O 3.22Å |
| 122 | G | 82.1 | Confident | 81.6 | Confident | 48 Ų | 48 | 36.1 Ų | 36.1 | 50% | 0.495 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 60 | 22.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | G106 G137 G138 | G106-G122 WeakPolarHBondContact CA-O 2.99Å; G122-G137 PolarHBondContact N-O 2.78Å; G122-G138 WeakPolarHBondContact CA-O 3.01Å |
| 123 | C | 83.2 | Confident | 81.7 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | trans | -87 | 142.5 | -178.2 | -60.8 | 0 | 0 | 0 | 0 | 111.2 | C107 C110 G121 S125 C126 C139 G140 | C107-C123 CarbonylContact O-C 3.46Å; C107-C123 WeakPolarHBondContact O-CA 3.18Å; C107-C123 WeakPolarHBondContact O-CB 3.37Å; C110-C123 PolarHBondContact SG-SG 2.95Å; G121-C123 PolarHBondContact O-N 3.16Å; G121-C123 PolarHBondContact O-SG 2.8Å; C123-S125 VanDerWaalsContact C-N 3.32Å; C123-S125 PolarHBondContact O-N 3.17Å; C123-C126 HydrophobicContact CB-CB 4.45Å; C123-C139 CarbonylContact O-C 3.4Å; C123-C139 WeakPolarHBondContact O-CA 3.09Å; C123-C139 WeakPolarHBondContact O-CB 3.37Å; C123-G140 PolarHBondContact O-N 2.8Å | ||
| 124 | G | 83.8 | Confident | 81.8 | Confident | 40 Ų | 40 | 35.6 Ų | 35.6 | 41% | 0.412 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -58.3 | -45.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | C107 G108 G140 S141 | C107-G124 PolarHBondContact O-N 3.41Å; G108-G124 CarbonylContact O-C 3.53Å; G108-G124 VanDerWaalsContact O-CA 3.3Å; G108-G124 WeakPolarHBondContact O-CA 3.38Å; G108-G124 PolarHBondContact O-N 3.47Å; G124-G140 CarbonylContact O-C 3.55Å; G124-G140 VanDerWaalsContact O-CA 3.29Å; G124-G140 WeakPolarHBondContact O-CA 3.24Å; G124-G140 PolarHBondContact O-N 2.93Å; G124-S141 PolarHBondContact O-N 3.37Å; G124-S141 VanDerWaalsContact O-N 3.07Å |
| 125 | S | 86.1 | Confident | 82 | Confident | 56 Ų | 56 | 32.7 Ų | 32.7 | 39% | 0.392 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 136.9 | 172.3 | -71.8 | 0 | 0 | 0 | 0 | 111.8 | G108 S109 C110 C123 S141 | G108-S125 PolarHBondContact O-N 2.8Å; S109-S125 CarbonylContact C-O 3.53Å; S109-S125 VanDerWaalsContact CA-O 3.3Å; S109-S125 WeakPolarHBondContact CA-O 3.09Å; C110-S125 PolarHBondContact N-O 2.72Å; C123-S125 VanDerWaalsContact C-N 3.32Å; C123-S125 PolarHBondContact O-N 3.17Å; S125-S141 CarbonylContact C-O 3.41Å; S125-S141 VanDerWaalsContact CA-O 3.29Å; S125-S141 WeakPolarHBondContact CA-O 3.06Å |
| 126 | C | 81.3 | Confident | 82.1 | Confident | 6 Ų | 6 | 30.7 Ų | 30.7 | 4% | 0.041 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 131.2 | 175.4 | 72.3 | 0 | 0 | 0 | 0 | 113.8 | C110 C120 C123 C136 C139 S141 C142 G143 | C110-C126 CarbonylContact O-C 3.43Å; C110-C126 WeakPolarHBondContact O-CA 3.38Å; C110-C126 WeakPolarHBondContact SG-CB 3.34Å; C120-C126 HydrophobicContact CB-CB 3.92Å; C123-C126 HydrophobicContact CB-CB 4.45Å; C126-C136 PolarHBondContact SG-SG 3.09Å; C126-C139 PolarHBondContact SG-SG 3.35Å; C126-S141 PolarHBondContact N-O 3.39Å; C126-C142 CarbonylContact O-C 3.51Å; C126-C142 WeakPolarHBondContact O-CA 3.07Å; C126-C142 WeakPolarHBondContact SG-CB 3.49Å; C126-G143 PolarHBondContact O-N 2.79Å |
| 127 | G | 79 | Confident | 82.3 | Confident | 14 Ų | 14 | 31.9 Ų | 31.9 | 14% | 0.144 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.8 | -165.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | C110 G111 G112 C129 G143 | C110-G127 PolarHBondContact O-N 2.9Å; G111-G127 CarbonylContact C-O 3.5Å; G111-G127 WeakPolarHBondContact CA-O 3.04Å; G112-G127 PolarHBondContact N-O 3.44Å; G127-C129 PolarHBondContact O-N 3.32Å; G127-G143 CarbonylContact C-O 3.54Å; G127-G143 WeakPolarHBondContact CA-O 3.06Å |
| 128 | G | 80.6 | Confident | 82.4 | Confident | 45 Ų | 45 | 33.9 Ų | 33.9 | 46% | 0.464 | 28% | 0.275 | S | S | . | . | trans | 69.9 | 14.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115 | G143 | G128-G143 PolarHBondContact N-O 3.05Š| ||
| 129 | C | 80.3 | Confident | 82.3 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.007 | 25% | 0.248 | C | C | . | . | trans | -80.3 | 143.4 | -179.2 | -65.5 | 0 | 0 | 0 | 0 | 111.9 | C113 G127 C145 K146 | C113-C129 CarbonylContact O-C 3.45Å; C113-C129 WeakPolarHBondContact O-CA 3.33Å; G127-C129 PolarHBondContact O-N 3.32Å; C129-C145 PolarHBondContact N-SG 2.77Å; C129-C145 CarbonylContact O-C 3.6Å; C129-C145 VanDerWaalsContact O-CA 3.31Å; C129-C145 WeakPolarHBondContact O-CA 3.31Å; C129-K146 PolarHBondContact O-N 3.48Å | ||
| 130 | K | 82 | Confident | 82.3 | Confident | 115 Ų | 115 | 29.6 Ų | 29.6 | 50% | 0.5 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -70 | -46.8 | 172.4 | -73.2 | -167.8 | -179 | -174.7 | 0 | 111 | C113 K114 G132 K146 G147 | C113-K130 PolarHBondContact O-N 2.9Å; K114-K130 HydrophobicContact CG-CD 4.4Å; K130-G132 VanDerWaalsContact C-N 3.29Å; K130-G132 PolarHBondContact O-N 3.25Å; K130-K146 HydrophobicContact CG-CD 4.4Å; K130-K146 WeakPolarHBondContact O-CB 3.15Å; K130-G147 PolarHBondContact O-N 3.43Å |
| 131 | G | 79.1 | Confident | 82.5 | Confident | 46 Ų | 46 | 32.1 Ų | 32.1 | 47% | 0.474 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -72.1 | -13.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | K114 | K114-G131 PolarHBondContact O-N 3.02Š|
| 132 | G | 80.8 | Confident | 82.4 | Confident | 6 Ų | 6 | 31 Ų | 31 | 6% | 0.062 | 26% | 0.257 | C | S | . | . | trans | 103.5 | 175.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G116 C117 K130 G148 | G116-G132 CarbonylContact C-O 3.58Å; G116-G132 WeakPolarHBondContact CA-O 3.23Å; C117-G132 PolarHBondContact N-O 2.83Å; K130-G132 VanDerWaalsContact C-N 3.29Å; K130-G132 PolarHBondContact O-N 3.25Å; G132-G148 CarbonylContact C-O 3.48Å; G132-G148 WeakPolarHBondContact CA-O 3.2Å | ||
| 133 | C | 81.3 | Confident | 82.3 | Confident | 5 Ų | 5 | 29.4 Ų | 29.4 | 3% | 0.034 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 131 | 166.3 | -68.3 | 0 | 0 | 0 | 0 | 108.9 | C117 C145 G148 C149 G150 | C117-C133 CarbonylContact O-C 3.49Å; C117-C133 VanDerWaalsContact O-CA 3.25Å; C117-C133 WeakPolarHBondContact O-CA 3.28Å; C133-C145 PolarHBondContact SG-SG 2.72Å; C133-G148 PolarHBondContact N-O 3.45Å; C133-C149 CarbonylContact O-C 3.42Å; C133-C149 VanDerWaalsContact O-CA 3.23Å; C133-C149 WeakPolarHBondContact O-CA 3.27Å; C133-G150 PolarHBondContact O-N 3.27Å |
| 134 | G | 81.1 | Confident | 82.2 | Confident | 31 Ų | 31 | 31.6 Ų | 31.6 | 32% | 0.32 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | -73.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | C117 S118 G150 S151 | C117-G134 PolarHBondContact O-N 2.79Å; S118-G134 CarbonylContact O-C 3.36Å; S118-G134 VanDerWaalsContact O-CA 3.29Å; S118-G134 WeakPolarHBondContact O-CA 3.21Å; G134-G150 CarbonylContact O-C 3.56Å; G134-G150 WeakPolarHBondContact O-CA 3.43Å; G134-G150 PolarHBondContact O-N 3.14Å; G134-S151 PolarHBondContact O-N 2.8Å |
| 135 | S | 86.5 | Confident | 82.1 | Confident | 57 Ų | 57 | 29.7 Ų | 29.7 | 40% | 0.399 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 128.4 | -179.7 | -63.8 | 0 | 0 | 0 | 0 | 111.5 | S118 S119 C120 S151 | S118-S135 PolarHBondContact O-N 2.76Å; S119-S135 CarbonylContact C-O 3.45Å; S119-S135 VanDerWaalsContact CA-O 3.22Å; S119-S135 WeakPolarHBondContact CA-O 3.21Å; C120-S135 PolarHBondContact N-O 2.86Å; S135-S151 CarbonylContact C-O 3.46Å; S135-S151 VanDerWaalsContact CA-O 3.3Å; S135-S151 WeakPolarHBondContact CA-O 3.37Å |
| 136 | C | 81.6 | Confident | 81.9 | Confident | 4 Ų | 4 | 32.6 Ų | 32.6 | 3% | 0.027 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 126 | 174.8 | -60.3 | 0 | 0 | 0 | 0 | 109.6 | C120 C126 C142 S151 C152 G153 | C120-C136 CarbonylContact O-C 3.47Å; C120-C136 WeakPolarHBondContact O-CA 3.05Å; C126-C136 PolarHBondContact SG-SG 3.09Å; C136-C142 HydrophobicContact CB-CB 4.01Å; C136-S151 PolarHBondContact N-O 2.79Å; C136-C152 CarbonylContact O-C 3.48Å; C136-C152 WeakPolarHBondContact O-CA 3.22Å; C136-G153 PolarHBondContact O-N 3.14Å |
| 137 | G | 84.4 | Confident | 81.8 | Confident | 31 Ų | 31 | 34.6 Ų | 34.6 | 32% | 0.32 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 129.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112 | C120 G121 G122 C139 G153 | C120-G137 PolarHBondContact O-N 3.25Å; G121-G137 CarbonylContact C-O 3.5Å; G121-G137 WeakPolarHBondContact CA-O 3.22Å; G122-G137 PolarHBondContact N-O 2.78Å; G137-C139 PolarHBondContact O-N 3.17Å; G137-C139 VanDerWaalsContact O-N 3.17Å; G137-G153 CarbonylContact C-O 3.49Å; G137-G153 WeakPolarHBondContact CA-O 3.37Å |
| 138 | G | 82.4 | Confident | 81.9 | Confident | 46 Ų | 46 | 34.2 Ų | 34.2 | 47% | 0.474 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 62.7 | 25.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G122 G153 G154 | G122-G138 WeakPolarHBondContact CA-O 3.01Å; G138-G153 PolarHBondContact N-O 2.81Å; G138-G154 WeakPolarHBondContact CA-O 3.15Å |
| 139 | C | 83.4 | Confident | 81.9 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.014 | 25% | 0.246 | C | C | . | . | trans | -85.8 | 142.4 | 179.4 | -65.5 | 0 | 0 | 0 | 0 | 111.1 | C123 C126 G137 S141 C142 C155 G156 | C123-C139 CarbonylContact O-C 3.4Å; C123-C139 WeakPolarHBondContact O-CA 3.09Å; C123-C139 WeakPolarHBondContact O-CB 3.37Å; C126-C139 PolarHBondContact SG-SG 3.35Å; G137-C139 PolarHBondContact O-N 3.17Å; G137-C139 VanDerWaalsContact O-N 3.17Å; C139-S141 VanDerWaalsContact C-N 3.32Å; C139-S141 PolarHBondContact O-N 2.77Å; C139-C142 HydrophobicContact CB-CB 4.35Å; C139-C155 CarbonylContact O-C 3.52Å; C139-C155 WeakPolarHBondContact O-CA 3.03Å; C139-C155 WeakPolarHBondContact O-CB 2.98Å; C139-G156 PolarHBondContact O-N 3.02Å | ||
| 140 | G | 84.4 | Confident | 81.9 | Confident | 39 Ų | 39 | 33.9 Ų | 33.9 | 40% | 0.402 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -58.6 | -47 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | C123 G124 G156 S157 | C123-G140 PolarHBondContact O-N 2.8Å; G124-G140 CarbonylContact O-C 3.55Å; G124-G140 VanDerWaalsContact O-CA 3.29Å; G124-G140 WeakPolarHBondContact O-CA 3.24Å; G124-G140 PolarHBondContact O-N 2.93Å; G140-G156 CarbonylContact O-C 3.46Å; G140-G156 VanDerWaalsContact O-CA 3.28Å; G140-G156 WeakPolarHBondContact O-CA 2.98Å; G140-G156 PolarHBondContact O-N 3Å; G140-S157 PolarHBondContact O-N 2.92Å |
| 141 | S | 86.2 | Confident | 82.1 | Confident | 53 Ų | 53 | 31 Ų | 31 | 37% | 0.371 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 139.2 | 172.5 | -72.2 | 0 | 0 | 0 | 0 | 111.5 | G124 S125 C126 C139 S157 | G124-S141 PolarHBondContact O-N 3.37Å; G124-S141 VanDerWaalsContact O-N 3.07Å; S125-S141 CarbonylContact C-O 3.41Å; S125-S141 VanDerWaalsContact CA-O 3.29Å; S125-S141 WeakPolarHBondContact CA-O 3.06Å; C126-S141 PolarHBondContact N-O 3.39Å; C139-S141 VanDerWaalsContact C-N 3.32Å; C139-S141 PolarHBondContact O-N 2.77Å; S141-S157 CarbonylContact C-O 3.57Å; S141-S157 WeakPolarHBondContact CA-O 3.48Å |
| 142 | C | 81.9 | Confident | 82.1 | Confident | 6 Ų | 6 | 29 Ų | 29 | 4% | 0.041 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 131 | 175.2 | 65.6 | 0 | 0 | 0 | 0 | 113.1 | C126 C136 C139 C152 S157 C158 G159 | C126-C142 CarbonylContact O-C 3.51Å; C126-C142 WeakPolarHBondContact O-CA 3.07Å; C126-C142 WeakPolarHBondContact SG-CB 3.49Å; C136-C142 HydrophobicContact CB-CB 4.01Å; C139-C142 HydrophobicContact CB-CB 4.35Å; C142-C152 VanDerWaalsContact SG-SG 3.63Å; C142-S157 PolarHBondContact N-O 2.95Å; C142-C158 CarbonylContact O-C 3.46Å; C142-C158 WeakPolarHBondContact O-CA 3.15Å; C142-C158 VanDerWaalsContact SG-CA 3.59Å; C142-C158 WeakPolarHBondContact SG-CB 3.23Å; C142-G159 PolarHBondContact O-N 2.89Å |
| 143 | G | 79.2 | Confident | 82.3 | Confident | 14 Ų | 14 | 30.2 Ų | 30.2 | 14% | 0.144 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.8 | -166.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | C126 G127 G128 C145 G159 | C126-G143 PolarHBondContact O-N 2.79Å; G127-G143 CarbonylContact C-O 3.54Å; G127-G143 WeakPolarHBondContact CA-O 3.06Å; G128-G143 PolarHBondContact N-O 3.05Å; G143-C145 PolarHBondContact O-N 2.93Å; G143-G159 CarbonylContact C-O 3.39Å; G143-G159 WeakPolarHBondContact CA-O 3.38Å |
| 144 | G | 81 | Confident | 82.3 | Confident | 46 Ų | 46 | 32.2 Ų | 32.2 | 47% | 0.474 | 27% | 0.269 | S | S | . | . | trans | 70.2 | 15 | 174 | 0 | 0 | 0 | 0 | 0 | 115 | G159 | G144-G159 PolarHBondContact N-O 2.96Š| ||
| 145 | C | 80.8 | Confident | 82.4 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | trans | -81.3 | 143 | -179.3 | -65.5 | 0 | 0 | 0 | 0 | 111.9 | C129 C133 G143 G148 C161 K162 | C129-C145 PolarHBondContact N-SG 2.77Å; C129-C145 CarbonylContact O-C 3.6Å; C129-C145 VanDerWaalsContact O-CA 3.31Å; C129-C145 WeakPolarHBondContact O-CA 3.31Å; C133-C145 PolarHBondContact SG-SG 2.72Å; G143-C145 PolarHBondContact O-N 2.93Å; C145-G148 WeakPolarHBondContact CB-O 3.31Å; C145-C161 PolarHBondContact N-SG 3.37Å; C145-C161 CarbonylContact O-C 3.57Å; C145-C161 WeakPolarHBondContact O-CA 3.29Å; C145-K162 PolarHBondContact O-N 2.88Å | ||
| 146 | K | 81.9 | Confident | 82.2 | Confident | 116 Ų | 116 | 29.8 Ų | 29.8 | 50% | 0.504 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -69.5 | -46.8 | 172.3 | -72.7 | -167.8 | -179.6 | -174.3 | 0 | 110.9 | C129 K130 G148 K162 G163 | C129-K146 PolarHBondContact O-N 3.48Å; K130-K146 HydrophobicContact CG-CD 4.4Å; K130-K146 WeakPolarHBondContact O-CB 3.15Å; K146-G148 VanDerWaalsContact C-N 3.27Å; K146-G148 PolarHBondContact O-N 3.45Å; K146-K162 HydrophobicContact CG-CD 4.42Å; K146-G163 PolarHBondContact O-N 3.05Å |
| 147 | G | 79.3 | Confident | 82.4 | Confident | 48 Ų | 48 | 32.1 Ų | 32.1 | 50% | 0.495 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -72.4 | -11.5 | -179 | 0 | 0 | 0 | 0 | 0 | 115.6 | K130 | K130-G147 PolarHBondContact O-N 3.43Š|
| 148 | G | 80.7 | Confident | 82.2 | Confident | 6 Ų | 6 | 30.9 Ų | 30.9 | 6% | 0.062 | 26% | 0.256 | C | S | . | . | trans | 101.4 | 176 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G132 C133 C145 K146 G164 | G132-G148 CarbonylContact C-O 3.48Å; G132-G148 WeakPolarHBondContact CA-O 3.2Å; C133-G148 PolarHBondContact N-O 3.45Å; C145-G148 WeakPolarHBondContact CB-O 3.31Å; K146-G148 VanDerWaalsContact C-N 3.27Å; K146-G148 PolarHBondContact O-N 3.45Å; G148-G164 CarbonylContact C-O 3.47Å; G148-G164 WeakPolarHBondContact CA-O 3.21Å | ||
| 149 | C | 81.2 | Confident | 82 | Confident | 5 Ų | 5 | 29.4 Ų | 29.4 | 3% | 0.034 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 131.1 | 166.5 | -68.9 | 0 | 0 | 0 | 0 | 108.9 | C133 C161 G164 C165 G166 | C133-C149 CarbonylContact O-C 3.42Å; C133-C149 VanDerWaalsContact O-CA 3.23Å; C133-C149 WeakPolarHBondContact O-CA 3.27Å; C149-C161 PolarHBondContact SG-SG 3.21Å; C149-G164 PolarHBondContact N-O 3.48Å; C149-C165 CarbonylContact O-C 3.45Å; C149-C165 VanDerWaalsContact O-CA 3.24Å; C149-C165 WeakPolarHBondContact O-CA 3.33Å; C149-G166 PolarHBondContact O-N 2.78Å |
| 150 | G | 80.4 | Confident | 81.9 | Confident | 34 Ų | 34 | 31.6 Ų | 31.6 | 35% | 0.351 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | -66.9 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | C133 G134 G166 S167 | C133-G150 PolarHBondContact O-N 3.27Å; G134-G150 CarbonylContact O-C 3.56Å; G134-G150 WeakPolarHBondContact O-CA 3.43Å; G134-G150 PolarHBondContact O-N 3.14Å; G150-G166 CarbonylContact O-C 3.45Å; G150-G166 WeakPolarHBondContact O-CA 3.28Å; G150-G166 PolarHBondContact O-N 2.79Å; G150-S167 PolarHBondContact O-N 3.36Å |
| 151 | S | 85.8 | Confident | 81.6 | Confident | 54 Ų | 54 | 29.8 Ų | 29.8 | 38% | 0.378 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 131.9 | 178.9 | -62.3 | 0 | 0 | 0 | 0 | 110.6 | G134 S135 C136 S167 | G134-S151 PolarHBondContact O-N 2.8Å; S135-S151 CarbonylContact C-O 3.46Å; S135-S151 VanDerWaalsContact CA-O 3.3Å; S135-S151 WeakPolarHBondContact CA-O 3.37Å; C136-S151 PolarHBondContact N-O 2.79Å; S151-S167 CarbonylContact C-O 3.55Å; S151-S167 VanDerWaalsContact CA-O 3.29Å; S151-S167 WeakPolarHBondContact CA-O 3.21Å |
| 152 | C | 80.5 | Confident | 81.4 | Confident | 5 Ų | 5 | 32.8 Ų | 32.8 | 3% | 0.034 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 126.3 | 175.7 | -60.9 | 0 | 0 | 0 | 0 | 108.9 | C136 C142 C158 S167 C168 G169 | C136-C152 CarbonylContact O-C 3.48Å; C136-C152 WeakPolarHBondContact O-CA 3.22Å; C142-C152 VanDerWaalsContact SG-SG 3.63Å; C152-C158 HydrophobicContact CB-CB 3.92Å; C152-S167 PolarHBondContact N-O 3.18Å; C152-C168 CarbonylContact O-C 3.46Å; C152-C168 WeakPolarHBondContact O-CA 3.08Å; C152-G169 PolarHBondContact O-N 2.74Å |
| 153 | G | 83.4 | Confident | 81.2 | Confident | 31 Ų | 31 | 34.7 Ų | 34.7 | 32% | 0.32 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 127.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | C136 G137 G138 C155 G169 | C136-G153 PolarHBondContact O-N 3.14Å; G137-G153 CarbonylContact C-O 3.49Å; G137-G153 WeakPolarHBondContact CA-O 3.37Å; G138-G153 PolarHBondContact N-O 2.81Å; G153-C155 PolarHBondContact O-N 2.75Å; G153-C155 VanDerWaalsContact O-N 3.16Å; G153-G169 CarbonylContact C-O 3.51Å; G153-G169 WeakPolarHBondContact CA-O 3.05Å |
| 154 | G | 81.5 | Confident | 81.1 | Confident | 47 Ų | 47 | 34.3 Ų | 34.3 | 49% | 0.485 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 63 | 24.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G138 G169 G170 | G138-G154 WeakPolarHBondContact CA-O 3.15Å; G154-G169 PolarHBondContact N-O 2.76Å; G154-G170 WeakPolarHBondContact CA-O 3.07Å |
| 155 | C | 82.8 | Confident | 81.1 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.007 | 25% | 0.247 | C | C | . | . | trans | -85.4 | 142.4 | 179.9 | -62.2 | 0 | 0 | 0 | 0 | 110.9 | C139 G153 S157 C158 C171 G172 | C139-C155 CarbonylContact O-C 3.52Å; C139-C155 WeakPolarHBondContact O-CA 3.03Å; C139-C155 WeakPolarHBondContact O-CB 2.98Å; G153-C155 PolarHBondContact O-N 2.75Å; G153-C155 VanDerWaalsContact O-N 3.16Å; C155-S157 VanDerWaalsContact C-N 3.32Å; C155-S157 PolarHBondContact O-N 3.48Å; C155-C158 HydrophobicContact CB-CB 4.43Å; C155-C171 CarbonylContact O-C 3.52Å; C155-C171 WeakPolarHBondContact O-CA 3.33Å; C155-C171 WeakPolarHBondContact O-CB 3.3Å; C155-G172 PolarHBondContact O-N 2.87Å | ||
| 156 | G | 83.8 | Confident | 81 | Confident | 37 Ų | 37 | 33.8 Ų | 33.8 | 38% | 0.381 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -58.5 | -46.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | C139 G140 G172 S173 | C139-G156 PolarHBondContact O-N 3.02Å; G140-G156 CarbonylContact O-C 3.46Å; G140-G156 VanDerWaalsContact O-CA 3.28Å; G140-G156 WeakPolarHBondContact O-CA 2.98Å; G140-G156 PolarHBondContact O-N 3Å; G156-G172 CarbonylContact O-C 3.47Å; G156-G172 VanDerWaalsContact O-CA 3.27Å; G156-G172 WeakPolarHBondContact O-CA 3.29Å; G156-G172 PolarHBondContact O-N 2.73Å; G156-S173 PolarHBondContact O-N 2.89Å |
| 157 | S | 85.5 | Confident | 81.1 | Confident | 53 Ų | 53 | 31 Ų | 31 | 37% | 0.371 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 138.9 | 172.7 | -71.3 | 0 | 0 | 0 | 0 | 111.9 | G140 S141 C142 C155 S173 | G140-S157 PolarHBondContact O-N 2.92Å; S141-S157 CarbonylContact C-O 3.57Å; S141-S157 WeakPolarHBondContact CA-O 3.48Å; C142-S157 PolarHBondContact N-O 2.95Å; C155-S157 VanDerWaalsContact C-N 3.32Å; C155-S157 PolarHBondContact O-N 3.48Å; S157-S173 CarbonylContact C-O 3.56Å; S157-S173 VanDerWaalsContact CA-O 3.28Å; S157-S173 WeakPolarHBondContact CA-O 3.3Å |
| 158 | C | 80.3 | Confident | 81.1 | Confident | 4 Ų | 4 | 28.8 Ų | 28.8 | 3% | 0.027 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 122.9 | 175.9 | 69.8 | 0 | 0 | 0 | 0 | 114 | C142 C152 C155 S173 C174 G175 | C142-C158 CarbonylContact O-C 3.46Å; C142-C158 WeakPolarHBondContact O-CA 3.15Å; C142-C158 VanDerWaalsContact SG-CA 3.59Å; C142-C158 WeakPolarHBondContact SG-CB 3.23Å; C152-C158 HydrophobicContact CB-CB 3.92Å; C155-C158 HydrophobicContact CB-CB 4.43Å; C158-S173 PolarHBondContact N-O 2.93Å; C158-C174 CarbonylContact O-C 3.47Å; C158-C174 WeakPolarHBondContact O-CA 3.21Å; C158-C174 WeakPolarHBondContact SG-CB 3.35Å; C158-G175 PolarHBondContact O-N 2.86Å |
| 159 | G | 78 | Confident | 81.1 | Confident | 15 Ų | 15 | 30 Ų | 30 | 16% | 0.155 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.6 | -166.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | C142 G143 G144 C161 G175 | C142-G159 PolarHBondContact O-N 2.89Å; G143-G159 CarbonylContact C-O 3.39Å; G143-G159 WeakPolarHBondContact CA-O 3.38Å; G144-G159 PolarHBondContact N-O 2.96Å; G159-C161 VanDerWaalsContact C-N 3.26Å; G159-C161 PolarHBondContact O-N 3.42Å; G159-G175 CarbonylContact C-O 3.43Å; G159-G175 WeakPolarHBondContact CA-O 3.42Å |
| 160 | G | 80.3 | Confident | 81.1 | Confident | 48 Ų | 48 | 31.9 Ų | 31.9 | 50% | 0.495 | 27% | 0.266 | S | S | . | . | trans | 70.9 | 16.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | G175 | G160-G175 PolarHBondContact N-O 2.8Š| ||
| 161 | C | 80.2 | Confident | 81.1 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.007 | 25% | 0.25 | C | S | . | . | trans | -83.3 | 143.8 | -178.4 | -65.9 | 0 | 0 | 0 | 0 | 112.1 | C145 C149 G159 C177 K178 | C145-C161 PolarHBondContact N-SG 3.37Å; C145-C161 CarbonylContact O-C 3.57Å; C145-C161 WeakPolarHBondContact O-CA 3.29Å; C149-C161 PolarHBondContact SG-SG 3.21Å; G159-C161 VanDerWaalsContact C-N 3.26Å; G159-C161 PolarHBondContact O-N 3.42Å; C161-C177 PolarHBondContact N-SG 3.36Å; C161-C177 CarbonylContact O-C 3.55Å; C161-C177 VanDerWaalsContact O-CA 3.29Å; C161-C177 WeakPolarHBondContact O-CA 3.07Å; C161-K178 PolarHBondContact O-N 2.94Å | ||
| 162 | K | 80.9 | Confident | 80.9 | Confident | 117 Ų | 117 | 29.7 Ų | 29.7 | 51% | 0.509 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -70.1 | -46.3 | 172.1 | -72.4 | -167.9 | -179.6 | -174 | 0 | 111 | C145 K146 G164 K178 G179 | C145-K162 PolarHBondContact O-N 2.88Å; K146-K162 HydrophobicContact CG-CD 4.42Å; K162-G164 VanDerWaalsContact C-N 3.28Å; K162-G164 PolarHBondContact O-N 3.43Å; K162-K178 HydrophobicContact CG-CD 4.43Å; K162-K178 WeakPolarHBondContact O-CB 3.2Å; K162-G179 PolarHBondContact O-N 2.92Å |
| 163 | G | 77.8 | Confident | 81.1 | Confident | 46 Ų | 46 | 32 Ų | 32 | 47% | 0.474 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -72.9 | -10.6 | -178 | 0 | 0 | 0 | 0 | 0 | 115.8 | K146 | K146-G163 PolarHBondContact O-N 3.05Š|
| 164 | G | 78 | Confident | 80.9 | Confident | 6 Ų | 6 | 30.8 Ų | 30.8 | 6% | 0.062 | 26% | 0.255 | C | S | . | . | trans | 102.1 | 173.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G148 C149 K162 G180 | G148-G164 CarbonylContact C-O 3.47Å; G148-G164 WeakPolarHBondContact CA-O 3.21Å; C149-G164 PolarHBondContact N-O 3.48Å; K162-G164 VanDerWaalsContact C-N 3.28Å; K162-G164 PolarHBondContact O-N 3.43Å; G164-G180 CarbonylContact C-O 3.42Å; G164-G180 WeakPolarHBondContact CA-O 3.08Å | ||
| 165 | C | 79.6 | Confident | 80.6 | Confident | 4 Ų | 4 | 29.2 Ų | 29.2 | 3% | 0.027 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 130.6 | 165.3 | -70.6 | 0 | 0 | 0 | 0 | 108.8 | C149 C177 G180 C181 G182 | C149-C165 CarbonylContact O-C 3.45Å; C149-C165 VanDerWaalsContact O-CA 3.24Å; C149-C165 WeakPolarHBondContact O-CA 3.33Å; C165-C177 PolarHBondContact SG-SG 2.95Å; C165-G180 PolarHBondContact N-O 2.81Å; C165-C181 CarbonylContact O-C 3.49Å; C165-C181 WeakPolarHBondContact O-CA 3.33Å; C165-G182 PolarHBondContact O-N 2.79Å |
| 166 | G | 79.1 | Confident | 80.4 | Confident | 31 Ų | 31 | 31.3 Ų | 31.3 | 32% | 0.32 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | -75.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | C149 G150 G182 S183 | C149-G166 PolarHBondContact O-N 2.78Å; G150-G166 CarbonylContact O-C 3.45Å; G150-G166 WeakPolarHBondContact O-CA 3.28Å; G150-G166 PolarHBondContact O-N 2.79Å; G166-G182 CarbonylContact O-C 3.42Å; G166-G182 WeakPolarHBondContact O-CA 3.36Å; G166-G182 PolarHBondContact O-N 3.07Å; G166-G182 VanDerWaalsContact O-N 3.09Å; G166-S183 PolarHBondContact O-N 2.83Å |
| 167 | S | 84.6 | Confident | 80.1 | Confident | 57 Ų | 57 | 29.6 Ų | 29.6 | 40% | 0.399 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 136.5 | 178 | -60.4 | 0 | 0 | 0 | 0 | 110.8 | G150 S151 C152 S183 | G150-S167 PolarHBondContact O-N 3.36Å; S151-S167 CarbonylContact C-O 3.55Å; S151-S167 VanDerWaalsContact CA-O 3.29Å; S151-S167 WeakPolarHBondContact CA-O 3.21Å; C152-S167 PolarHBondContact N-O 3.18Å; S167-S183 CarbonylContact C-O 3.45Å; S167-S183 VanDerWaalsContact CA-O 3.29Å; S167-S183 WeakPolarHBondContact CA-O 3.26Å |
| 168 | C | 78.5 | Confident | 79.8 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.014 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 112.6 | 177.5 | -63.3 | 0 | 0 | 0 | 0 | 108.7 | C152 C174 S183 C184 G185 C187 | C152-C168 CarbonylContact O-C 3.46Å; C152-C168 WeakPolarHBondContact O-CA 3.08Å; C168-C174 HydrophobicContact CB-CB 4.04Å; C168-S183 PolarHBondContact N-O 3.44Å; C168-C184 CarbonylContact O-C 3.46Å; C168-C184 WeakPolarHBondContact O-CA 3.29Å; C168-G185 PolarHBondContact O-N 2.79Å; C168-C187 PolarHBondContact O-SG 3.06Å |
| 169 | G | 81.9 | Confident | 79.5 | Confident | 31 Ų | 31 | 34.7 Ų | 34.7 | 32% | 0.32 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 130.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | C152 G153 G154 C171 G185 | C152-G169 PolarHBondContact O-N 2.74Å; G153-G169 CarbonylContact C-O 3.51Å; G153-G169 WeakPolarHBondContact CA-O 3.05Å; G154-G169 PolarHBondContact N-O 2.76Å; G169-C171 PolarHBondContact O-N 3.25Å; G169-C171 VanDerWaalsContact O-N 3.14Å; G169-G185 CarbonylContact C-O 3.41Å; G169-G185 WeakPolarHBondContact CA-O 3.24Å |
| 170 | G | 79.6 | Confident | 79.4 | Confident | 45 Ų | 45 | 34.3 Ų | 34.3 | 46% | 0.464 | 27% | 0.267 | S | S | . | . | S | Bend | trans | 63 | 23.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | G154 G185 G186 | G154-G170 WeakPolarHBondContact CA-O 3.07Å; G170-G185 PolarHBondContact N-O 2.79Å; G170-G186 WeakPolarHBondContact CA-O 3.38Å |
| 171 | C | 81.6 | Confident | 79.1 | Confident | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.014 | 24% | 0.244 | C | C | . | . | trans | -84.5 | 141.5 | -180 | -62.3 | 0 | 0 | 0 | 0 | 111 | C155 G169 S173 C174 C187 G188 | C155-C171 CarbonylContact O-C 3.52Å; C155-C171 WeakPolarHBondContact O-CA 3.33Å; C155-C171 WeakPolarHBondContact O-CB 3.3Å; G169-C171 PolarHBondContact O-N 3.25Å; G169-C171 VanDerWaalsContact O-N 3.14Å; C171-S173 VanDerWaalsContact C-N 3.32Å; C171-S173 PolarHBondContact O-N 3.02Å; C171-C174 HydrophobicContact CB-CB 4.46Å; C171-C187 CarbonylContact O-C 3.49Å; C171-C187 WeakPolarHBondContact O-CA 3.39Å; C171-C187 WeakPolarHBondContact O-CB 3.37Å; C171-G188 PolarHBondContact O-N 3.46Å | ||
| 172 | G | 82.1 | Confident | 78.9 | Confident | 40 Ų | 40 | 32.9 Ų | 32.9 | 41% | 0.412 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -58.6 | -45.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | C155 G156 G188 S189 | C155-G172 PolarHBondContact O-N 2.87Å; G156-G172 CarbonylContact O-C 3.47Å; G156-G172 VanDerWaalsContact O-CA 3.27Å; G156-G172 WeakPolarHBondContact O-CA 3.29Å; G156-G172 PolarHBondContact O-N 2.73Å; G172-G188 CarbonylContact O-C 3.54Å; G172-G188 VanDerWaalsContact O-CA 3.28Å; G172-G188 WeakPolarHBondContact O-CA 3.06Å; G172-G188 PolarHBondContact O-N 3.27Å; G172-S189 PolarHBondContact O-N 3.02Å |
| 173 | S | 83.9 | Confident | 78.8 | Confident | 53 Ų | 53 | 30.2 Ų | 30.2 | 37% | 0.371 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 138.5 | 173.1 | -72.4 | 0 | 0 | 0 | 0 | 111.7 | G156 S157 C158 C171 S189 | G156-S173 PolarHBondContact O-N 2.89Å; S157-S173 CarbonylContact C-O 3.56Å; S157-S173 VanDerWaalsContact CA-O 3.28Å; S157-S173 WeakPolarHBondContact CA-O 3.3Å; C158-S173 PolarHBondContact N-O 2.93Å; C171-S173 VanDerWaalsContact C-N 3.32Å; C171-S173 PolarHBondContact O-N 3.02Å; S173-S189 CarbonylContact C-O 3.58Å; S173-S189 VanDerWaalsContact CA-O 3.31Å; S173-S189 WeakPolarHBondContact CA-O 3.06Å |
| 174 | C | 78.1 | Confident | 78.7 | Confident | 7 Ų | 7 | 28.2 Ų | 28.2 | 5% | 0.047 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 132.6 | 176.4 | 65.8 | 0 | 0 | 0 | 0 | 113.3 | C158 C168 C171 S189 C190 G191 | C158-C174 CarbonylContact O-C 3.47Å; C158-C174 WeakPolarHBondContact O-CA 3.21Å; C158-C174 WeakPolarHBondContact SG-CB 3.35Å; C168-C174 HydrophobicContact CB-CB 4.04Å; C171-C174 HydrophobicContact CB-CB 4.46Å; C174-S189 PolarHBondContact N-O 3.23Å; C174-C190 CarbonylContact O-C 3.57Å; C174-C190 WeakPolarHBondContact O-CA 3.36Å; C174-C190 WeakPolarHBondContact SG-CB 3.12Å; C174-G191 PolarHBondContact O-N 2.93Å |
| 175 | G | 76.5 | Confident | 78.7 | Confident | 14 Ų | 14 | 29.4 Ų | 29.4 | 14% | 0.144 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.5 | -168 | -176.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | C158 G159 G160 C177 G191 | C158-G175 PolarHBondContact O-N 2.86Å; G159-G175 CarbonylContact C-O 3.43Å; G159-G175 WeakPolarHBondContact CA-O 3.42Å; G160-G175 PolarHBondContact N-O 2.8Å; G175-C177 VanDerWaalsContact C-N 3.27Å; G175-C177 PolarHBondContact O-N 2.95Å; G175-G191 CarbonylContact C-O 3.58Å; G175-G191 WeakPolarHBondContact CA-O 3.07Å |
| 176 | G | 77.9 | Confident | 78.5 | Confident | 45 Ų | 45 | 31.4 Ų | 31.4 | 46% | 0.464 | 26% | 0.26 | S | S | . | . | trans | 71.8 | 16.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | G191 G192 | G176-G191 PolarHBondContact N-O 3.44Å; G176-G192 WeakPolarHBondContact CA-O 3.31Å | ||
| 177 | C | 77.9 | Confident | 78.5 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.007 | 25% | 0.245 | C | C | . | . | trans | -85.5 | 141.8 | -177.6 | -65.4 | 0 | 0 | 0 | 0 | 112.2 | C161 C165 G175 G180 C193 K194 | C161-C177 PolarHBondContact N-SG 3.36Å; C161-C177 CarbonylContact O-C 3.55Å; C161-C177 VanDerWaalsContact O-CA 3.29Å; C161-C177 WeakPolarHBondContact O-CA 3.07Å; C165-C177 PolarHBondContact SG-SG 2.95Å; G175-C177 VanDerWaalsContact C-N 3.27Å; G175-C177 PolarHBondContact O-N 2.95Å; C177-G180 WeakPolarHBondContact CB-O 3.5Å; C177-C193 PolarHBondContact N-SG 2.89Å; C177-C193 CarbonylContact O-C 3.5Å; C177-C193 VanDerWaalsContact O-CA 3.3Å; C177-C193 WeakPolarHBondContact O-CA 3.31Å; C177-K194 PolarHBondContact O-N 2.95Å | ||
| 178 | K | 79.2 | Confident | 78.2 | Confident | 118 Ų | 118 | 29 Ų | 29 | 51% | 0.513 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -69.5 | -45.2 | 172.6 | -73 | -168.2 | -179.9 | -173.3 | 0 | 111.1 | C161 K162 G180 K194 G195 | C161-K178 PolarHBondContact O-N 2.94Å; K162-K178 HydrophobicContact CG-CD 4.43Å; K162-K178 WeakPolarHBondContact O-CB 3.2Å; K178-G180 VanDerWaalsContact C-N 3.28Å; K178-G180 PolarHBondContact O-N 2.85Å; K178-K194 HydrophobicContact CG-CD 4.43Å; K178-K194 WeakPolarHBondContact O-CB 3.22Å; K178-G195 PolarHBondContact O-N 2.79Å |
| 179 | G | 74.8 | Confident | 78.3 | Confident | 46 Ų | 46 | 31.4 Ų | 31.4 | 47% | 0.474 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -73.8 | -7.5 | -178 | 0 | 0 | 0 | 0 | 0 | 116 | K162 | K162-G179 PolarHBondContact O-N 2.92Š|
| 180 | G | 74.3 | Confident | 78 | Confident | 6 Ų | 6 | 30.2 Ų | 30.2 | 6% | 0.062 | 25% | 0.248 | C | C | . | . | trans | 99.4 | 173.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | G164 C165 C177 K178 G196 | G164-G180 CarbonylContact C-O 3.42Å; G164-G180 WeakPolarHBondContact CA-O 3.08Å; C165-G180 PolarHBondContact N-O 2.81Å; C177-G180 WeakPolarHBondContact CB-O 3.5Å; K178-G180 VanDerWaalsContact C-N 3.28Å; K178-G180 PolarHBondContact O-N 2.85Å; G180-G196 CarbonylContact C-O 3.57Å; G180-G196 WeakPolarHBondContact CA-O 3.08Å | ||
| 181 | C | 75.3 | Confident | 77.8 | Confident | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.014 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 135 | 165.5 | -72 | 0 | 0 | 0 | 0 | 108.9 | C165 C193 G196 C197 C198 | C165-C181 CarbonylContact O-C 3.49Å; C165-C181 WeakPolarHBondContact O-CA 3.33Å; C181-C193 PolarHBondContact SG-SG 3.14Å; C181-G196 PolarHBondContact N-O 3.32Å; C181-C197 CarbonylContact O-C 3.42Å; C181-C197 WeakPolarHBondContact O-CA 3.37Å; C181-C198 PolarHBondContact O-N 2.87Å |
| 182 | G | 74.5 | Confident | 77.5 | Confident | 18 Ų | 18 | 31 Ų | 31 | 19% | 0.186 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | -87.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | C165 G166 C198 S199 | C165-G182 PolarHBondContact O-N 2.79Å; G166-G182 CarbonylContact O-C 3.42Å; G166-G182 WeakPolarHBondContact O-CA 3.36Å; G166-G182 PolarHBondContact O-N 3.07Å; G166-G182 VanDerWaalsContact O-N 3.09Å; G182-C198 CarbonylContact O-C 3.48Å; G182-C198 VanDerWaalsContact O-CA 3.31Å; G182-C198 WeakPolarHBondContact O-CA 3.14Å; G182-C198 WeakPolarHBondContact O-CB 3.28Å; G182-C198 PolarHBondContact O-N 2.9Å; G182-S199 PolarHBondContact O-N 3.34Å |
| 183 | S | 80.6 | Confident | 77.1 | Confident | 61 Ų | 61 | 29.1 Ų | 29.1 | 43% | 0.427 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 116 | -175.7 | -62.4 | 0 | 0 | 0 | 0 | 111.4 | G166 S167 C168 S199 | G166-S183 PolarHBondContact O-N 2.83Å; S167-S183 CarbonylContact C-O 3.45Å; S167-S183 VanDerWaalsContact CA-O 3.29Å; S167-S183 WeakPolarHBondContact CA-O 3.26Å; C168-S183 PolarHBondContact N-O 3.44Å; S183-S199 CarbonylContact C-O 3.42Å; S183-S199 WeakPolarHBondContact CA-O 3.25Å |
| 184 | C | 74.7 | Confident | 76.7 | Confident | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.02 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 118.5 | 174.4 | -61.7 | 0 | 0 | 0 | 0 | 109.8 | C168 C190 S199 C200 G201 | C168-C184 CarbonylContact O-C 3.46Å; C168-C184 WeakPolarHBondContact O-CA 3.29Å; C184-C190 HydrophobicContact CB-CB 4.05Å; C184-S199 PolarHBondContact N-O 3.06Å; C184-C200 CarbonylContact O-C 3.48Å; C184-C200 VanDerWaalsContact O-CA 3.23Å; C184-C200 WeakPolarHBondContact O-CA 3.17Å; C184-G201 PolarHBondContact O-N 3.38Å |
| 185 | G | 77.7 | Confident | 76.2 | Confident | 31 Ų | 31 | 34.2 Ų | 34.2 | 32% | 0.32 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 127.3 | -179 | 0 | 0 | 0 | 0 | 0 | 111.7 | C168 G169 G170 C187 G201 | C168-G185 PolarHBondContact O-N 2.79Å; G169-G185 CarbonylContact C-O 3.41Å; G169-G185 WeakPolarHBondContact CA-O 3.24Å; G170-G185 PolarHBondContact N-O 2.79Å; G185-C187 PolarHBondContact O-N 3.37Å; G185-G201 CarbonylContact C-O 3.5Å; G185-G201 VanDerWaalsContact CA-O 3.23Å; G185-G201 WeakPolarHBondContact CA-O 3.24Å |
| 186 | G | 75.7 | Confident | 75.9 | Confident | 46 Ų | 46 | 33.8 Ų | 33.8 | 47% | 0.474 | 26% | 0.26 | S | S | . | . | S | Bend | trans | 63.5 | 24.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | G170 G201 G202 | G170-G186 WeakPolarHBondContact CA-O 3.38Å; G186-G201 PolarHBondContact N-O 2.89Å; G186-G202 WeakPolarHBondContact CA-O 3.23Å |
| 187 | C | 78.6 | Confident | 75.5 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.007 | 24% | 0.239 | C | C | . | . | trans | -83.6 | 141.8 | 179.1 | -63 | 0 | 0 | 0 | 0 | 111.1 | C168 C171 G185 S189 C203 G204 | C168-C187 PolarHBondContact O-SG 3.06Å; C171-C187 CarbonylContact O-C 3.49Å; C171-C187 WeakPolarHBondContact O-CA 3.39Å; C171-C187 WeakPolarHBondContact O-CB 3.37Å; G185-C187 PolarHBondContact O-N 3.37Å; C187-S189 VanDerWaalsContact C-N 3.34Å; C187-S189 PolarHBondContact O-N 3.43Å; C187-C203 CarbonylContact O-C 3.47Å; C187-C203 WeakPolarHBondContact O-CA 3.28Å; C187-C203 WeakPolarHBondContact O-CB 3.27Å; C187-G204 PolarHBondContact O-N 3.47Å | ||
| 188 | G | 79.6 | Confident | 74.6 | Confident | 37 Ų | 37 | 35.1 Ų | 35.1 | 38% | 0.381 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -59 | -46.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | C171 G172 G204 S205 | C171-G188 PolarHBondContact O-N 3.46Å; G172-G188 CarbonylContact O-C 3.54Å; G172-G188 VanDerWaalsContact O-CA 3.28Å; G172-G188 WeakPolarHBondContact O-CA 3.06Å; G172-G188 PolarHBondContact O-N 3.27Å; G188-G204 CarbonylContact O-C 3.57Å; G188-G204 VanDerWaalsContact O-CA 3.26Å; G188-G204 WeakPolarHBondContact O-CA 3.3Å; G188-G204 PolarHBondContact O-N 3.49Å; G188-S205 PolarHBondContact O-N 3.32Å |
| 189 | S | 80.8 | Confident | 74.3 | Confident | 53 Ų | 53 | 31.9 Ų | 31.9 | 37% | 0.371 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 141 | 173 | -71.8 | 0 | 0 | 0 | 0 | 111.8 | G172 S173 C174 C187 S205 | G172-S189 PolarHBondContact O-N 3.02Å; S173-S189 CarbonylContact C-O 3.58Å; S173-S189 VanDerWaalsContact CA-O 3.31Å; S173-S189 WeakPolarHBondContact CA-O 3.06Å; C174-S189 PolarHBondContact N-O 3.23Å; C187-S189 VanDerWaalsContact C-N 3.34Å; C187-S189 PolarHBondContact O-N 3.43Å; S189-S205 CarbonylContact C-O 3.45Å; S189-S205 VanDerWaalsContact CA-O 3.32Å; S189-S205 WeakPolarHBondContact CA-O 3.21Å |
| 190 | C | 75.6 | Confident | 74.1 | Confident | 6 Ų | 6 | 29.7 Ų | 29.7 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 129.3 | 176.7 | 64.3 | 0 | 0 | 0 | 0 | 112.8 | C174 C184 S205 C206 G207 | C174-C190 CarbonylContact O-C 3.57Å; C174-C190 WeakPolarHBondContact O-CA 3.36Å; C174-C190 WeakPolarHBondContact SG-CB 3.12Å; C184-C190 HydrophobicContact CB-CB 4.05Å; C190-S205 PolarHBondContact N-O 2.85Å; C190-C206 CarbonylContact O-C 3.42Å; C190-C206 WeakPolarHBondContact O-CA 3.28Å; C190-C206 VanDerWaalsContact SG-CA 3.56Å; C190-C206 WeakPolarHBondContact SG-CB 3.33Å; C190-G207 PolarHBondContact O-N 2.95Å |
| 191 | G | 73.8 | Confident | 74 | Confident | 17 Ų | 17 | 30.9 Ų | 30.9 | 18% | 0.175 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.6 | -170.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | C174 G175 G176 C193 G207 | C174-G191 PolarHBondContact O-N 2.93Å; G175-G191 CarbonylContact C-O 3.58Å; G175-G191 WeakPolarHBondContact CA-O 3.07Å; G176-G191 PolarHBondContact N-O 3.44Å; G191-C193 VanDerWaalsContact C-N 3.29Å; G191-C193 PolarHBondContact O-N 3.43Å; G191-G207 CarbonylContact C-O 3.54Å; G191-G207 WeakPolarHBondContact CA-O 3.35Å |
| 192 | G | 75.4 | Confident | 73.9 | Confident | 46 Ų | 46 | 33 Ų | 33 | 47% | 0.474 | 27% | 0.266 | S | S | . | . | trans | 71.6 | 17.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | G176 G207 G208 | G176-G192 WeakPolarHBondContact CA-O 3.31Å; G192-G207 PolarHBondContact N-O 2.88Å; G192-G208 WeakPolarHBondContact CA-O 3.41Å | ||
| 193 | C | 73.8 | Confident | 73.8 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.007 | 26% | 0.257 | C | S | . | . | trans | -86.2 | 139.7 | -178.2 | -66.4 | 0 | 0 | 0 | 0 | 112.1 | C177 C181 G191 C209 K210 | C177-C193 PolarHBondContact N-SG 2.89Å; C177-C193 CarbonylContact O-C 3.5Å; C177-C193 VanDerWaalsContact O-CA 3.3Å; C177-C193 WeakPolarHBondContact O-CA 3.31Å; C181-C193 PolarHBondContact SG-SG 3.14Å; G191-C193 VanDerWaalsContact C-N 3.29Å; G191-C193 PolarHBondContact O-N 3.43Å; C193-C209 CarbonylContact O-C 3.46Å; C193-C209 VanDerWaalsContact O-CA 3.3Å; C193-C209 WeakPolarHBondContact O-CA 3.24Å; C193-K210 PolarHBondContact O-N 2.95Å | ||
| 194 | K | 75.2 | Confident | 73.5 | Confident | 119 Ų | 119 | 31.1 Ų | 31.1 | 52% | 0.517 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -69.9 | -42.6 | 172.7 | -73.1 | -168.3 | 179.8 | -173.1 | 0 | 111.2 | C177 K178 G196 K210 G211 | C177-K194 PolarHBondContact O-N 2.95Å; K178-K194 HydrophobicContact CG-CD 4.43Å; K178-K194 WeakPolarHBondContact O-CB 3.22Å; K194-G196 VanDerWaalsContact C-N 3.32Å; K194-G196 PolarHBondContact O-N 2.79Å; K194-K210 HydrophobicContact CG-CD 4.45Å; K194-K210 WeakPolarHBondContact O-CB 3.21Å; K194-G211 PolarHBondContact O-N 3.05Å; K194-G211 VanDerWaalsContact O-N 3.1Å |
| 195 | G | 69.3 | Low | 73.6 | Confident | 47 Ų | 47 | 33.5 Ų | 33.5 | 49% | 0.485 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -75.6 | -5.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | K178 | K178-G195 PolarHBondContact O-N 2.79Š|
| 196 | G | 68.9 | Low | 73.4 | Confident | 5 Ų | 5 | 32.4 Ų | 32.4 | 5% | 0.052 | 26% | 0.26 | C | S | . | . | trans | 93.4 | 176.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | G180 C181 K194 G212 | G180-G196 CarbonylContact C-O 3.57Å; G180-G196 WeakPolarHBondContact CA-O 3.08Å; C181-G196 PolarHBondContact N-O 3.32Å; K194-G196 VanDerWaalsContact C-N 3.32Å; K194-G196 PolarHBondContact O-N 2.79Å; G196-G212 CarbonylContact C-O 3.45Å; G196-G212 WeakPolarHBondContact CA-O 3.17Å | ||
| 197 | C | 70.5 | Confident | 73.2 | Confident | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.014 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 127.4 | 170.9 | -65.8 | 0 | 0 | 0 | 0 | 110.3 | C181 C209 G212 C213 S214 | C181-C197 CarbonylContact O-C 3.42Å; C181-C197 WeakPolarHBondContact O-CA 3.37Å; C197-C209 PolarHBondContact SG-SG 2.93Å; C197-G212 PolarHBondContact N-O 3.35Å; C197-C213 CarbonylContact O-C 3.5Å; C197-C213 WeakPolarHBondContact O-CA 3.1Å; C197-S214 PolarHBondContact O-N 2.93Å |
| 198 | C | 58.9 | Low | 72.9 | Confident | 73 Ų | 73 | 33 Ų | 33 | 49% | 0.493 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | -35.8 | -174.7 | -55.5 | 0 | 0 | 0 | 0 | 113.4 | C181 G182 S214 S215 | C181-C198 PolarHBondContact O-N 2.87Å; G182-C198 CarbonylContact O-C 3.48Å; G182-C198 VanDerWaalsContact O-CA 3.31Å; G182-C198 WeakPolarHBondContact O-CA 3.14Å; G182-C198 WeakPolarHBondContact O-CB 3.28Å; G182-C198 PolarHBondContact O-N 2.9Å; C198-S214 WeakPolarHBondContact O-CB 3.3Å; C198-S215 PolarHBondContact O-N 2.93Å |
| 199 | S | 73.6 | Confident | 72.4 | Confident | 49 Ų | 49 | 31.3 Ų | 31.3 | 34% | 0.343 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 120.3 | 178.5 | -151.8 | 0 | 0 | 0 | 0 | 111.9 | G182 S183 C184 S215 | G182-S199 PolarHBondContact O-N 3.34Å; S183-S199 CarbonylContact C-O 3.42Å; S183-S199 WeakPolarHBondContact CA-O 3.25Å; C184-S199 PolarHBondContact N-O 3.06Å; S199-S215 CarbonylContact C-O 3.45Å; S199-S215 WeakPolarHBondContact CA-O 3.48Å |
| 200 | C | 70.1 | Confident | 71.9 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.007 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 108.8 | 178.9 | -65.5 | 0 | 0 | 0 | 0 | 110 | C184 C206 S215 C216 G217 C219 | C184-C200 CarbonylContact O-C 3.48Å; C184-C200 VanDerWaalsContact O-CA 3.23Å; C184-C200 WeakPolarHBondContact O-CA 3.17Å; C200-C206 HydrophobicContact CB-CB 4.07Å; C200-S215 PolarHBondContact N-O 3.39Å; C200-C216 CarbonylContact O-C 3.46Å; C200-C216 VanDerWaalsContact O-CA 3.24Å; C200-C216 WeakPolarHBondContact O-CA 2.99Å; C200-G217 PolarHBondContact O-N 2.98Å; C200-C219 PolarHBondContact O-SG 2.97Å |
| 201 | G | 71.7 | Confident | 71.6 | Confident | 31 Ų | 31 | 36.2 Ų | 36.2 | 32% | 0.32 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 128.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | C184 G185 G186 C203 G217 | C184-G201 PolarHBondContact O-N 3.38Å; G185-G201 CarbonylContact C-O 3.5Å; G185-G201 VanDerWaalsContact CA-O 3.23Å; G185-G201 WeakPolarHBondContact CA-O 3.24Å; G186-G201 PolarHBondContact N-O 2.89Å; G201-C203 PolarHBondContact O-N 3.4Å; G201-C203 VanDerWaalsContact O-N 3.14Å; G201-G217 CarbonylContact C-O 3.54Å; G201-G217 VanDerWaalsContact CA-O 3.24Å; G201-G217 WeakPolarHBondContact CA-O 3.29Å |
| 202 | G | 72.2 | Confident | 71.2 | Confident | 46 Ų | 46 | 35.7 Ų | 35.7 | 47% | 0.474 | 27% | 0.27 | S | S | . | . | S | Bend | trans | 64.6 | 20.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | G186 G217 G218 | G186-G202 WeakPolarHBondContact CA-O 3.23Å; G202-G217 PolarHBondContact N-O 2.9Å; G202-G218 WeakPolarHBondContact CA-O 3.44Å |
| 203 | C | 73.7 | Confident | 70.9 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | trans | -80.2 | 141.4 | 179.2 | -61.2 | 0 | 0 | 0 | 0 | 111.7 | C187 G201 S205 C219 G220 | C187-C203 CarbonylContact O-C 3.47Å; C187-C203 WeakPolarHBondContact O-CA 3.28Å; C187-C203 WeakPolarHBondContact O-CB 3.27Å; G201-C203 PolarHBondContact O-N 3.4Å; G201-C203 VanDerWaalsContact O-N 3.14Å; C203-S205 PolarHBondContact O-N 3.04Å; C203-C219 CarbonylContact O-C 3.42Å; C203-C219 WeakPolarHBondContact O-CA 3.34Å; C203-C219 WeakPolarHBondContact O-CB 3.26Å; C203-G220 PolarHBondContact O-N 3.36Å | ||
| 204 | G | 74.4 | Confident | 70.6 | Confident | 38 Ų | 38 | 36.7 Ų | 36.7 | 39% | 0.392 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -59.7 | -46.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | C187 G188 G220 S221 | C187-G204 PolarHBondContact O-N 3.47Å; G188-G204 CarbonylContact O-C 3.57Å; G188-G204 VanDerWaalsContact O-CA 3.26Å; G188-G204 WeakPolarHBondContact O-CA 3.3Å; G188-G204 PolarHBondContact O-N 3.49Å; G204-G220 CarbonylContact O-C 3.5Å; G204-G220 VanDerWaalsContact O-CA 3.25Å; G204-G220 WeakPolarHBondContact O-CA 3.12Å; G204-G220 PolarHBondContact O-N 2.9Å; G204-S221 PolarHBondContact O-N 2.91Å |
| 205 | S | 76.5 | Confident | 70.4 | Confident | 54 Ų | 54 | 33.1 Ų | 33.1 | 38% | 0.378 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 139.1 | 172.9 | -69.9 | 0 | 0 | 0 | 0 | 111.9 | G188 S189 C190 C203 S221 | G188-S205 PolarHBondContact O-N 3.32Å; S189-S205 CarbonylContact C-O 3.45Å; S189-S205 VanDerWaalsContact CA-O 3.32Å; S189-S205 WeakPolarHBondContact CA-O 3.21Å; C190-S205 PolarHBondContact N-O 2.85Å; C203-S205 PolarHBondContact O-N 3.04Å; S205-S221 CarbonylContact C-O 3.4Å; S205-S221 VanDerWaalsContact CA-O 3.27Å; S205-S221 WeakPolarHBondContact CA-O 3.45Å |
| 206 | C | 72.6 | Confident | 70.3 | Confident | 7 Ų | 7 | 30.9 Ų | 30.9 | 5% | 0.047 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 132 | 175.5 | 72 | 0 | 0 | 0 | 0 | 112.8 | C190 C200 C219 S221 C222 G223 | C190-C206 CarbonylContact O-C 3.42Å; C190-C206 WeakPolarHBondContact O-CA 3.28Å; C190-C206 VanDerWaalsContact SG-CA 3.56Å; C190-C206 WeakPolarHBondContact SG-CB 3.33Å; C200-C206 HydrophobicContact CB-CB 4.07Å; C206-C219 VanDerWaalsContact SG-SG 3.68Å; C206-S221 PolarHBondContact N-O 3.08Å; C206-C222 CarbonylContact O-C 3.53Å; C206-C222 WeakPolarHBondContact O-CA 3.13Å; C206-C222 VanDerWaalsContact SG-CA 3.6Å; C206-C222 WeakPolarHBondContact SG-CB 3.1Å; C206-G223 PolarHBondContact O-N 2.8Å |
| 207 | G | 71.1 | Confident | 70.3 | Confident | 16 Ų | 16 | 32 Ų | 32 | 17% | 0.165 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.3 | -173.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | C190 G191 G192 C209 G223 | C190-G207 PolarHBondContact O-N 2.95Å; G191-G207 CarbonylContact C-O 3.54Å; G191-G207 WeakPolarHBondContact CA-O 3.35Å; G192-G207 PolarHBondContact N-O 2.88Å; G207-C209 VanDerWaalsContact C-N 3.3Å; G207-C209 PolarHBondContact O-N 2.99Å; G207-G223 CarbonylContact C-O 3.46Å; G207-G223 WeakPolarHBondContact CA-O 2.9Å |
| 208 | G | 72.4 | Confident | 70.2 | Confident | 45 Ų | 45 | 34 Ų | 34 | 46% | 0.464 | 27% | 0.27 | S | S | . | . | trans | 72.5 | 17.2 | 172 | 0 | 0 | 0 | 0 | 0 | 115.3 | G192 G223 G224 | G192-G208 WeakPolarHBondContact CA-O 3.41Å; G208-G223 PolarHBondContact N-O 3.03Å; G208-G224 WeakPolarHBondContact CA-O 3.28Å | ||
| 209 | C | 70.2 | Confident | 70.8 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.007 | 25% | 0.247 | C | C | . | . | trans | -87.2 | 138.5 | -178.2 | -66.4 | 0 | 0 | 0 | 0 | 112 | C193 C197 G207 C225 K226 | C193-C209 CarbonylContact O-C 3.46Å; C193-C209 VanDerWaalsContact O-CA 3.3Å; C193-C209 WeakPolarHBondContact O-CA 3.24Å; C197-C209 PolarHBondContact SG-SG 2.93Å; G207-C209 VanDerWaalsContact C-N 3.3Å; G207-C209 PolarHBondContact O-N 2.99Å; C209-C225 CarbonylContact O-C 3.47Å; C209-C225 VanDerWaalsContact O-CA 3.3Å; C209-C225 WeakPolarHBondContact O-CA 3.46Å; C209-K226 PolarHBondContact O-N 2.78Å | ||
| 210 | K | 71.1 | Confident | 70.6 | Confident | 115 Ų | 115 | 30 Ų | 30 | 50% | 0.5 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -70 | -43.1 | 173.2 | -74.2 | -167.3 | 179.3 | -171.4 | 0 | 111.4 | C193 K194 G212 K226 G227 | C193-K210 PolarHBondContact O-N 2.95Å; K194-K210 HydrophobicContact CG-CD 4.45Å; K194-K210 WeakPolarHBondContact O-CB 3.21Å; K210-G212 VanDerWaalsContact C-N 3.31Å; K210-G212 PolarHBondContact O-N 2.92Å; K210-K226 HydrophobicContact CG-CD 4.46Å; K210-G227 PolarHBondContact O-N 3.39Å; K210-G227 VanDerWaalsContact O-N 3.11Å |
| 211 | G | 67.3 | Low | 70.7 | Confident | 47 Ų | 47 | 32.3 Ų | 32.3 | 49% | 0.485 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -76.6 | -2.2 | -177 | 0 | 0 | 0 | 0 | 0 | 116.6 | K194 | K194-G211 PolarHBondContact O-N 3.05Å; K194-G211 VanDerWaalsContact O-N 3.1Å |
| 212 | G | 66.8 | Low | 70.6 | Confident | 5 Ų | 5 | 31.1 Ų | 31.1 | 5% | 0.052 | 25% | 0.251 | C | S | . | . | trans | 85.9 | 176.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114 | G196 C197 K210 G228 | G196-G212 CarbonylContact C-O 3.45Å; G196-G212 WeakPolarHBondContact CA-O 3.17Å; C197-G212 PolarHBondContact N-O 3.35Å; K210-G212 VanDerWaalsContact C-N 3.31Å; K210-G212 PolarHBondContact O-N 2.92Å; G212-G228 CarbonylContact C-O 3.48Å; G212-G228 WeakPolarHBondContact CA-O 2.97Å | ||
| 213 | C | 68.4 | Low | 70.4 | Confident | 4 Ų | 4 | 29.8 Ų | 29.8 | 3% | 0.027 | 24% | 0.237 | C | C | . | . | B | Isolated β-bridge | trans | -119.7 | 127.6 | 172.8 | -66.5 | 0 | 0 | 0 | 0 | 110.7 | C197 G228 C229 C230 | C197-C213 CarbonylContact O-C 3.5Å; C197-C213 WeakPolarHBondContact O-CA 3.1Å; C213-G228 PolarHBondContact N-O 2.97Å; C213-C229 CarbonylContact O-C 3.49Å; C213-C229 WeakPolarHBondContact O-CA 3.14Å; C213-C230 PolarHBondContact O-N 2.8Å |
| 214 | S | 67.9 | Low | 70.2 | Confident | 64 Ų | 64 | 31.8 Ų | 31.8 | 45% | 0.448 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -81.1 | -29.8 | -176.8 | -36.1 | 0 | 0 | 0 | 0 | 113.4 | C197 C198 C230 S231 | C197-S214 PolarHBondContact O-N 2.93Å; C198-S214 WeakPolarHBondContact O-CB 3.3Å; S214-C230 VanDerWaalsContact O-CB 3.3Å; S214-C230 WeakPolarHBondContact O-CB 3.27Å; S214-S231 PolarHBondContact O-N 3.27Å |
| 215 | S | 70.1 | Confident | 69.8 | Low | 44 Ų | 44 | 30 Ų | 30 | 31% | 0.308 | 24% | 0.24 | S | C | . | . | trans | -153.3 | 137.1 | 172.5 | -172.4 | 0 | 0 | 0 | 0 | 110.8 | C198 S199 C200 S231 | C198-S215 PolarHBondContact O-N 2.93Å; S199-S215 CarbonylContact C-O 3.45Å; S199-S215 WeakPolarHBondContact CA-O 3.48Å; C200-S215 PolarHBondContact N-O 3.39Å; S215-S231 CarbonylContact C-O 3.49Å; S215-S231 WeakPolarHBondContact CA-O 3.48Å | ||
| 216 | C | 68.3 | Low | 69.3 | Low | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.007 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 112.5 | 175.8 | -67.8 | 0 | 0 | 0 | 0 | 108.4 | C200 C222 S231 C232 G233 | C200-C216 CarbonylContact O-C 3.46Å; C200-C216 VanDerWaalsContact O-CA 3.24Å; C200-C216 WeakPolarHBondContact O-CA 2.99Å; C216-C222 HydrophobicContact CB-CB 4.46Å; C216-S231 PolarHBondContact N-O 3.34Å; C216-C232 CarbonylContact O-C 3.47Å; C216-C232 VanDerWaalsContact O-CA 3.24Å; C216-C232 WeakPolarHBondContact O-CA 3.25Å; C216-G233 PolarHBondContact O-N 3.3Å |
| 217 | G | 68.2 | Low | 68.9 | Low | 28 Ų | 28 | 35.3 Ų | 35.3 | 29% | 0.289 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 130.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | C200 G201 G202 C219 G233 | C200-G217 PolarHBondContact O-N 2.98Å; G201-G217 CarbonylContact C-O 3.54Å; G201-G217 VanDerWaalsContact CA-O 3.24Å; G201-G217 WeakPolarHBondContact CA-O 3.29Å; G202-G217 PolarHBondContact N-O 2.9Å; G217-C219 PolarHBondContact O-N 3.48Å; G217-C219 VanDerWaalsContact O-N 3.14Å; G217-G233 CarbonylContact C-O 3.44Å; G217-G233 VanDerWaalsContact CA-O 3.25Å; G217-G233 WeakPolarHBondContact CA-O 3.21Å |
| 218 | G | 69.1 | Low | 68.4 | Low | 44 Ų | 44 | 34.7 Ų | 34.7 | 45% | 0.454 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 63.4 | 23.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | G202 G233 G234 | G202-G218 WeakPolarHBondContact CA-O 3.44Å; G218-G233 PolarHBondContact N-O 2.86Å; G218-G234 WeakPolarHBondContact CA-O 3.17Å |
| 219 | C | 70.7 | Confident | 68.1 | Low | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.014 | 24% | 0.24 | C | C | . | . | trans | -81.2 | 140.4 | 178.5 | -58.2 | 0 | 0 | 0 | 0 | 111.8 | C200 C203 C206 G217 S221 C235 G236 | C200-C219 PolarHBondContact O-SG 2.97Å; C203-C219 CarbonylContact O-C 3.42Å; C203-C219 WeakPolarHBondContact O-CA 3.34Å; C203-C219 WeakPolarHBondContact O-CB 3.26Å; C206-C219 VanDerWaalsContact SG-SG 3.68Å; G217-C219 PolarHBondContact O-N 3.48Å; G217-C219 VanDerWaalsContact O-N 3.14Å; C219-S221 VanDerWaalsContact C-N 3.35Å; C219-S221 PolarHBondContact O-N 3.31Å; C219-C235 CarbonylContact O-C 3.45Å; C219-C235 WeakPolarHBondContact O-CA 3.26Å; C219-C235 WeakPolarHBondContact O-CB 3.33Å; C219-G236 PolarHBondContact O-N 2.97Å | ||
| 220 | G | 69.7 | Low | 67.3 | Low | 37 Ų | 37 | 35.8 Ų | 35.8 | 38% | 0.381 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -60.5 | -44 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | C203 G204 G236 S237 | C203-G220 PolarHBondContact O-N 3.36Å; G204-G220 CarbonylContact O-C 3.5Å; G204-G220 VanDerWaalsContact O-CA 3.25Å; G204-G220 WeakPolarHBondContact O-CA 3.12Å; G204-G220 PolarHBondContact O-N 2.9Å; G220-G236 CarbonylContact O-C 3.42Å; G220-G236 VanDerWaalsContact O-CA 3.27Å; G220-G236 WeakPolarHBondContact O-CA 3.41Å; G220-G236 PolarHBondContact O-N 3.49Å; G220-S237 PolarHBondContact O-N 3.39Å; G220-S237 VanDerWaalsContact O-N 3.08Å |
| 221 | S | 72.9 | Confident | 66.9 | Low | 49 Ų | 49 | 32.6 Ų | 32.6 | 34% | 0.343 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 137.4 | 173.4 | -69.8 | 0 | 0 | 0 | 0 | 111.7 | G204 S205 C206 C219 S237 | G204-S221 PolarHBondContact O-N 2.91Å; S205-S221 CarbonylContact C-O 3.4Å; S205-S221 VanDerWaalsContact CA-O 3.27Å; S205-S221 WeakPolarHBondContact CA-O 3.45Å; C206-S221 PolarHBondContact N-O 3.08Å; C219-S221 VanDerWaalsContact C-N 3.35Å; C219-S221 PolarHBondContact O-N 3.31Å; S221-S237 CarbonylContact C-O 3.43Å; S221-S237 VanDerWaalsContact CA-O 3.31Å; S221-S237 WeakPolarHBondContact CA-O 3.11Å |
| 222 | C | 69.1 | Low | 66.8 | Low | 6 Ų | 6 | 30.4 Ų | 30.4 | 4% | 0.041 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 129.6 | 178 | 62.9 | 0 | 0 | 0 | 0 | 112.6 | C206 C216 S237 C238 G239 | C206-C222 CarbonylContact O-C 3.53Å; C206-C222 WeakPolarHBondContact O-CA 3.13Å; C206-C222 VanDerWaalsContact SG-CA 3.6Å; C206-C222 WeakPolarHBondContact SG-CB 3.1Å; C216-C222 HydrophobicContact CB-CB 4.46Å; C222-S237 PolarHBondContact N-O 2.98Å; C222-C238 CarbonylContact O-C 3.5Å; C222-C238 VanDerWaalsContact O-CA 3.27Å; C222-C238 WeakPolarHBondContact O-CA 3.07Å; C222-C238 WeakPolarHBondContact SG-CB 3.13Å; C222-C238 PolarHBondContact SG-SG 3.47Å; C222-G239 PolarHBondContact O-N 3.44Å |
| 223 | G | 67.8 | Low | 66.6 | Low | 17 Ų | 17 | 31.7 Ų | 31.7 | 18% | 0.175 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.9 | -177.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | C206 G207 G208 C225 G239 | C206-G223 PolarHBondContact O-N 2.8Å; G207-G223 CarbonylContact C-O 3.46Å; G207-G223 WeakPolarHBondContact CA-O 2.9Å; G208-G223 PolarHBondContact N-O 3.03Å; G223-C225 VanDerWaalsContact C-N 3.31Å; G223-C225 PolarHBondContact O-N 3.31Å; G223-G239 CarbonylContact C-O 3.54Å; G223-G239 WeakPolarHBondContact CA-O 2.95Å |
| 224 | G | 69.1 | Low | 66.3 | Low | 43 Ų | 43 | 33.6 Ų | 33.6 | 44% | 0.443 | 26% | 0.264 | S | S | . | . | trans | 72.7 | 16.5 | 172 | 0 | 0 | 0 | 0 | 0 | 115.6 | G208 G239 G240 | G208-G224 WeakPolarHBondContact CA-O 3.28Å; G224-G239 PolarHBondContact N-O 3.11Å; G224-G239 VanDerWaalsContact N-O 3.13Å; G224-G240 WeakPolarHBondContact CA-O 3.5Å | ||
| 225 | C | 67 | Low | 66.3 | Low | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.014 | 24% | 0.244 | C | C | . | . | trans | -84.3 | 131.9 | 179.4 | -68.6 | 0 | 0 | 0 | 0 | 111.6 | C209 G223 C241 K242 | C209-C225 CarbonylContact O-C 3.47Å; C209-C225 VanDerWaalsContact O-CA 3.3Å; C209-C225 WeakPolarHBondContact O-CA 3.46Å; G223-C225 VanDerWaalsContact C-N 3.31Å; G223-C225 PolarHBondContact O-N 3.31Å; C225-C241 WeakPolarHBondContact O-CA 3.09Å; C225-K242 PolarHBondContact O-N 2.93Å | ||
| 226 | K | 66.6 | Low | 65.9 | Low | 127 Ų | 127 | 30.3 Ų | 30.3 | 55% | 0.552 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -39.3 | 174.3 | -74.1 | -166.7 | 178.6 | -171 | 0 | 111.7 | C209 K210 G228 G243 | C209-K226 PolarHBondContact O-N 2.78Å; K210-K226 HydrophobicContact CG-CD 4.46Å; K226-G228 PolarHBondContact O-N 3.01Å; K226-G243 PolarHBondContact O-N 3.06Å |
| 227 | G | 63.2 | Low | 65.9 | Low | 45 Ų | 45 | 32.6 Ų | 32.6 | 46% | 0.464 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | K210 | K210-G227 PolarHBondContact O-N 3.39Å; K210-G227 VanDerWaalsContact O-N 3.11Å |
| 228 | G | 61.3 | Low | 65.6 | Low | 2 Ų | 2 | 31.7 Ų | 31.7 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | trans | 84.3 | 177.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | G212 C213 K226 G244 | G212-G228 CarbonylContact C-O 3.48Å; G212-G228 WeakPolarHBondContact CA-O 2.97Å; C213-G228 PolarHBondContact N-O 2.97Å; K226-G228 PolarHBondContact O-N 3.01Å; G228-G244 CarbonylContact C-O 3.44Å; G228-G244 WeakPolarHBondContact CA-O 3.47Å | ||
| 229 | C | 64.8 | Low | 65.3 | Low | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.014 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -123.7 | 122.4 | 175.7 | -62.5 | 0 | 0 | 0 | 0 | 111 | C213 G244 C245 S246 | C213-C229 CarbonylContact O-C 3.49Å; C213-C229 WeakPolarHBondContact O-CA 3.14Å; C229-G244 PolarHBondContact N-O 3.35Å; C229-C245 CarbonylContact O-C 3.56Å; C229-C245 WeakPolarHBondContact O-CA 3.3Å; C229-S246 PolarHBondContact O-N 2.97Å |
| 230 | C | 54.5 | Low | 65 | Low | 68 Ų | 68 | 32.3 Ų | 32.3 | 46% | 0.459 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -78.9 | -25.7 | -173 | -56.2 | 0 | 0 | 0 | 0 | 114.2 | C213 S214 S246 S247 | C213-C230 PolarHBondContact O-N 2.8Å; S214-C230 VanDerWaalsContact O-CB 3.3Å; S214-C230 WeakPolarHBondContact O-CB 3.27Å; C230-S246 VanDerWaalsContact O-CB 3.26Å; C230-S246 WeakPolarHBondContact O-CB 3.1Å; C230-S247 PolarHBondContact O-N 3.37Å |
| 231 | S | 63.2 | Low | 64.6 | Low | 48 Ų | 48 | 30.6 Ų | 30.6 | 34% | 0.336 | 24% | 0.241 | S | C | . | . | trans | -156.7 | 120.3 | 175.3 | -148.8 | 0 | 0 | 0 | 0 | 111.2 | S214 S215 C216 S247 | S214-S231 PolarHBondContact O-N 3.27Å; S215-S231 CarbonylContact C-O 3.49Å; S215-S231 WeakPolarHBondContact CA-O 3.48Å; C216-S231 PolarHBondContact N-O 3.34Å; S231-S247 CarbonylContact C-O 3.42Å; S231-S247 WeakPolarHBondContact CA-O 3.27Å | ||
| 232 | C | 63.9 | Low | 64 | Low | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.007 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 109.6 | 178.2 | -67.4 | 0 | 0 | 0 | 0 | 109.4 | C216 S247 C248 G249 | C216-C232 CarbonylContact O-C 3.47Å; C216-C232 VanDerWaalsContact O-CA 3.24Å; C216-C232 WeakPolarHBondContact O-CA 3.25Å; C232-S247 PolarHBondContact N-O 3.31Å; C232-C248 CarbonylContact O-C 3.47Å; C232-C248 VanDerWaalsContact O-CA 3.28Å; C232-C248 WeakPolarHBondContact O-CA 2.88Å; C232-G249 PolarHBondContact O-N 3.32Å |
| 233 | G | 62.1 | Low | 63.4 | Low | 32 Ų | 32 | 36.6 Ų | 36.6 | 33% | 0.33 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 126.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | C216 G217 G218 C235 G249 | C216-G233 PolarHBondContact O-N 3.3Å; G217-G233 CarbonylContact C-O 3.44Å; G217-G233 VanDerWaalsContact CA-O 3.25Å; G217-G233 WeakPolarHBondContact CA-O 3.21Å; G218-G233 PolarHBondContact N-O 2.86Å; G233-C235 VanDerWaalsContact C-N 3.3Å; G233-C235 PolarHBondContact O-N 3.3Å; G233-G249 CarbonylContact C-O 3.48Å; G233-G249 VanDerWaalsContact CA-O 3.26Å; G233-G249 WeakPolarHBondContact CA-O 3.27Å |
| 234 | G | 63.7 | Low | 62.9 | Low | 44 Ų | 44 | 35.9 Ų | 35.9 | 45% | 0.454 | 27% | 0.267 | S | S | . | . | S | Bend | trans | 66.5 | 27.2 | 173 | 0 | 0 | 0 | 0 | 0 | 114.5 | G218 G249 G250 | G218-G234 WeakPolarHBondContact CA-O 3.17Å; G234-G249 PolarHBondContact N-O 3.39Å; G234-G250 WeakPolarHBondContact CA-O 3.32Å |
| 235 | C | 66.3 | Low | 62.4 | Low | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.014 | 25% | 0.246 | C | C | . | . | trans | -83.7 | 140.4 | 178.6 | -64.4 | 0 | 0 | 0 | 0 | 111.7 | C219 G233 C251 G252 | C219-C235 CarbonylContact O-C 3.45Å; C219-C235 WeakPolarHBondContact O-CA 3.26Å; C219-C235 WeakPolarHBondContact O-CB 3.33Å; G233-C235 VanDerWaalsContact C-N 3.3Å; G233-C235 PolarHBondContact O-N 3.3Å; C235-C251 CarbonylContact O-C 3.41Å; C235-C251 WeakPolarHBondContact O-CA 2.88Å; C235-G252 PolarHBondContact O-N 3.44Å | ||
| 236 | G | 63.6 | Low | 61.9 | Low | 36 Ų | 36 | 36.6 Ų | 36.6 | 37% | 0.371 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -61.2 | -47.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | C219 G220 G252 T253 | C219-G236 PolarHBondContact O-N 2.97Å; G220-G236 CarbonylContact O-C 3.42Å; G220-G236 VanDerWaalsContact O-CA 3.27Å; G220-G236 WeakPolarHBondContact O-CA 3.41Å; G220-G236 PolarHBondContact O-N 3.49Å; G236-G252 CarbonylContact O-C 3.51Å; G236-G252 VanDerWaalsContact O-CA 3.26Å; G236-G252 WeakPolarHBondContact O-CA 3.46Å; G236-G252 PolarHBondContact O-N 3.33Å; G236-T253 PolarHBondContact O-N 2.94Å |
| 237 | S | 66.5 | Low | 61.4 | Low | 49 Ų | 49 | 32.5 Ų | 32.5 | 34% | 0.343 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 137.6 | 176.4 | -57.8 | 0 | 0 | 0 | 0 | 111.9 | G220 S221 C222 T253 | G220-S237 PolarHBondContact O-N 3.39Å; G220-S237 VanDerWaalsContact O-N 3.08Å; S221-S237 CarbonylContact C-O 3.43Å; S221-S237 VanDerWaalsContact CA-O 3.31Å; S221-S237 WeakPolarHBondContact CA-O 3.11Å; C222-S237 PolarHBondContact N-O 2.98Å; S237-T253 CarbonylContact C-O 3.44Å; S237-T253 WeakPolarHBondContact CA-O 3.36Å; S237-T253 WeakPolarHBondContact CA-OG1 3.26Å; S237-T253 VanDerWaalsContact CB-OG1 3.26Å; S237-T253 WeakPolarHBondContact CB-OG1 3.44Å; S237-T253 PolarHBondContact OG-OG1 3Å |
| 238 | C | 63.1 | Low | 61.1 | Low | 9 Ų | 9 | 30.5 Ų | 30.5 | 6% | 0.061 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 129.8 | 178.1 | -173.8 | 0 | 0 | 0 | 0 | 112.3 | C222 T253 C254 G255 | C222-C238 CarbonylContact O-C 3.5Å; C222-C238 VanDerWaalsContact O-CA 3.27Å; C222-C238 WeakPolarHBondContact O-CA 3.07Å; C222-C238 WeakPolarHBondContact SG-CB 3.13Å; C222-C238 PolarHBondContact SG-SG 3.47Å; C238-T253 PolarHBondContact N-O 2.83Å; C238-C254 CarbonylContact O-C 3.57Å; C238-C254 VanDerWaalsContact O-CA 3.26Å; C238-C254 WeakPolarHBondContact O-CA 3.42Å; C238-G255 PolarHBondContact O-N 3.34Å |
| 239 | G | 62.9 | Low | 60.9 | Low | 18 Ų | 18 | 31.9 Ų | 31.9 | 19% | 0.186 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.8 | 175.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 119 | C222 G223 G224 C241 G255 | C222-G239 PolarHBondContact O-N 3.44Å; G223-G239 CarbonylContact C-O 3.54Å; G223-G239 WeakPolarHBondContact CA-O 2.95Å; G224-G239 PolarHBondContact N-O 3.11Å; G224-G239 VanDerWaalsContact N-O 3.13Å; G239-C241 VanDerWaalsContact C-N 3.34Å; G239-C241 PolarHBondContact O-N 3.1Å; G239-G255 WeakPolarHBondContact CA-O 3.31Å |
| 240 | G | 63.5 | Low | 60.5 | Low | 41 Ų | 41 | 34 Ų | 34 | 42% | 0.423 | 27% | 0.267 | S | S | . | . | trans | 73 | 16.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116 | G224 G255 G256 | G224-G240 WeakPolarHBondContact CA-O 3.5Å; G240-G255 PolarHBondContact N-O 3.27Å; G240-G256 WeakPolarHBondContact CA-O 3.48Å; G240-G256 PolarHBondContact N-O 3.37Å | ||
| 241 | C | 61.6 | Low | 60.8 | Low | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.007 | 25% | 0.246 | C | C | . | . | trans | -85.7 | 128.6 | 178.2 | -67.6 | 0 | 0 | 0 | 0 | 111.4 | C225 G239 C257 K258 | C225-C241 WeakPolarHBondContact O-CA 3.09Å; G239-C241 VanDerWaalsContact C-N 3.34Å; G239-C241 PolarHBondContact O-N 3.1Å; C241-C257 WeakPolarHBondContact O-CA 3.3Å; C241-K258 PolarHBondContact O-N 2.92Å | ||
| 242 | K | 60.1 | Low | 60.5 | Low | 133 Ų | 133 | 30.2 Ų | 30.2 | 58% | 0.578 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -30 | 176.3 | -76.4 | -168.8 | 176.6 | -170.6 | 0 | 112.7 | C225 | C225-K242 PolarHBondContact O-N 2.93Š|
| 243 | G | 57.7 | Low | 60.3 | Low | 48 Ų | 48 | 33.2 Ų | 33.2 | 50% | 0.495 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 3.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | K226 | K226-G243 PolarHBondContact O-N 3.06Š|
| 244 | G | 55.5 | Low | 60 | Low | 3 Ų | 3 | 32.7 Ų | 32.7 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | trans | 76.5 | 178.9 | -175 | 0 | 0 | 0 | 0 | 0 | 114 | G228 C229 G259 | G228-G244 CarbonylContact C-O 3.44Å; G228-G244 WeakPolarHBondContact CA-O 3.47Å; C229-G244 PolarHBondContact N-O 3.35Å; G244-G259 WeakPolarHBondContact CA-O 3.42Å | ||
| 245 | C | 58.5 | Low | 59.7 | Low | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.007 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -126.5 | 121.1 | 176.3 | -62 | 0 | 0 | 0 | 0 | 112.1 | C229 S247 C248 C261 | C229-C245 CarbonylContact O-C 3.56Å; C229-C245 WeakPolarHBondContact O-CA 3.3Å; C245-S247 PolarHBondContact O-N 3.04Å; C245-C248 VanDerWaalsContact CB-SG 3.58Å; C245-C261 WeakPolarHBondContact O-CA 3.24Å; C245-C261 WeakPolarHBondContact O-CB 3.47Å; C245-C261 PolarHBondContact O-SG 2.89Å |
| 246 | S | 56.9 | Low | 59.1 | Low | 59 Ų | 59 | 34.1 Ų | 34.1 | 41% | 0.413 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -72.1 | -30.4 | -171.7 | -40 | 0 | 0 | 0 | 0 | 113.9 | C229 C230 S262 S263 | C229-S246 PolarHBondContact O-N 2.97Å; C230-S246 VanDerWaalsContact O-CB 3.26Å; C230-S246 WeakPolarHBondContact O-CB 3.1Å; S246-S262 WeakPolarHBondContact O-CB 3.33Å; S246-S262 PolarHBondContact O-N 3.07Å; S246-S263 PolarHBondContact O-N 3.34Å |
| 247 | S | 56.5 | Low | 58.6 | Low | 41 Ų | 41 | 33.3 Ų | 33.3 | 29% | 0.287 | 26% | 0.26 | S | S | . | . | trans | -147.5 | 129.6 | 174.2 | -172.5 | 0 | 0 | 0 | 0 | 110.9 | C230 S231 C232 C245 S263 | C230-S247 PolarHBondContact O-N 3.37Å; S231-S247 CarbonylContact C-O 3.42Å; S231-S247 WeakPolarHBondContact CA-O 3.27Å; C232-S247 PolarHBondContact N-O 3.31Å; C245-S247 PolarHBondContact O-N 3.04Å; S247-S263 CarbonylContact C-O 3.51Å; S247-S263 WeakPolarHBondContact CA-O 3.41Å | ||
| 248 | C | 58 | Low | 57.9 | Low | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.02 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 112.8 | 174.5 | -71.3 | 0 | 0 | 0 | 0 | 110 | C232 C245 S263 C264 G265 | C232-C248 CarbonylContact O-C 3.47Å; C232-C248 VanDerWaalsContact O-CA 3.28Å; C232-C248 WeakPolarHBondContact O-CA 2.88Å; C245-C248 VanDerWaalsContact CB-SG 3.58Å; C248-S263 PolarHBondContact N-O 3.48Å; C248-C264 WeakPolarHBondContact O-CA 3.21Å; C248-G265 PolarHBondContact O-N 2.89Å |
| 249 | G | 55.9 | Low | 57.2 | Low | 31 Ų | 31 | 40.4 Ų | 40.4 | 32% | 0.32 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 124.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | C232 G233 G234 C251 G265 | C232-G249 PolarHBondContact O-N 3.32Å; G233-G249 CarbonylContact C-O 3.48Å; G233-G249 VanDerWaalsContact CA-O 3.26Å; G233-G249 WeakPolarHBondContact CA-O 3.27Å; G234-G249 PolarHBondContact N-O 3.39Å; G249-C251 VanDerWaalsContact C-N 3.35Å; G249-C251 PolarHBondContact O-N 3.04Å; G249-G265 CarbonylContact C-O 3.44Å; G249-G265 VanDerWaalsContact CA-O 3.28Å; G249-G265 WeakPolarHBondContact CA-O 3.33Å |
| 250 | G | 57 | Low | 56.2 | Low | 45 Ų | 45 | 42.9 Ų | 42.9 | 46% | 0.464 | 31% | 0.305 | S | S | . | . | S | Bend | trans | 67.7 | 28.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | G234 G265 G266 | G234-G250 WeakPolarHBondContact CA-O 3.32Å; G250-G265 PolarHBondContact N-O 3.24Å; G250-G266 WeakPolarHBondContact CA-O 3.38Å |
| 251 | C | 59.8 | Low | 55.5 | Low | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.014 | 29% | 0.292 | C | S | . | . | trans | -83.4 | 139.9 | 176.6 | -64.4 | 0 | 0 | 0 | 0 | 111.7 | C235 G249 C254 C267 G268 | C235-C251 CarbonylContact O-C 3.41Å; C235-C251 WeakPolarHBondContact O-CA 2.88Å; G249-C251 VanDerWaalsContact C-N 3.35Å; G249-C251 PolarHBondContact O-N 3.04Å; C251-C254 WeakPolarHBondContact CB-SG 3.37Å; C251-C267 VanDerWaalsContact O-CA 3.24Å; C251-C267 WeakPolarHBondContact O-CA 3.43Å; C251-G268 PolarHBondContact O-N 3.02Å | ||
| 252 | G | 57.5 | Low | 54.8 | Low | 36 Ų | 36 | 46.3 Ų | 46.3 | 37% | 0.371 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -63 | -56.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | C235 G236 G268 S269 | C235-G252 PolarHBondContact O-N 3.44Å; G236-G252 CarbonylContact O-C 3.51Å; G236-G252 VanDerWaalsContact O-CA 3.26Å; G236-G252 WeakPolarHBondContact O-CA 3.46Å; G236-G252 PolarHBondContact O-N 3.33Å; G252-G268 CarbonylContact O-C 3.55Å; G252-G268 WeakPolarHBondContact O-CA 3.37Å; G252-G268 PolarHBondContact O-N 3.04Å; G252-S269 PolarHBondContact O-N 2.9Å |
| 253 | T | 59.1 | Low | 54.3 | Low | 64 Ų | 64 | 42.5 Ų | 42.5 | 39% | 0.393 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 144 | 174.7 | 63.5 | 0 | 0 | 0 | 0 | 112.4 | G236 S237 C238 S269 | G236-T253 PolarHBondContact O-N 2.94Å; S237-T253 CarbonylContact C-O 3.44Å; S237-T253 WeakPolarHBondContact CA-O 3.36Å; S237-T253 WeakPolarHBondContact CA-OG1 3.26Å; S237-T253 VanDerWaalsContact CB-OG1 3.26Å; S237-T253 WeakPolarHBondContact CB-OG1 3.44Å; S237-T253 PolarHBondContact OG-OG1 3Å; C238-T253 PolarHBondContact N-O 2.83Å; T253-S269 WeakPolarHBondContact CA-O 3.39Å |
| 254 | C | 57.1 | Low | 53.9 | Low | 21 Ų | 21 | 41 Ų | 41 | 14% | 0.142 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 129.4 | 175.7 | -73.8 | 0 | 0 | 0 | 0 | 111.6 | C238 C251 S269 C270 G271 | C238-C254 CarbonylContact O-C 3.57Å; C238-C254 VanDerWaalsContact O-CA 3.26Å; C238-C254 WeakPolarHBondContact O-CA 3.42Å; C251-C254 WeakPolarHBondContact CB-SG 3.37Å; C254-S269 PolarHBondContact N-O 3.37Å; C254-C270 WeakPolarHBondContact O-CA 3.26Å; C254-G271 PolarHBondContact O-N 2.82Å |
| 255 | G | 56.4 | Low | 53.6 | Low | 26 Ų | 26 | 42.3 Ų | 42.3 | 27% | 0.268 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.6 | 164.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 117 | C238 G239 G240 C257 G271 | C238-G255 PolarHBondContact O-N 3.34Å; G239-G255 WeakPolarHBondContact CA-O 3.31Å; G240-G255 PolarHBondContact N-O 3.27Å; G255-C257 PolarHBondContact O-N 2.99Å; G255-G271 WeakPolarHBondContact CA-O 3.26Å |
| 256 | G | 54.6 | Low | 53.1 | Low | 50 Ų | 50 | 45 Ų | 45 | 52% | 0.515 | 34% | 0.336 | S | S | . | . | trans | 77.7 | 17.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | G240 | G240-G256 WeakPolarHBondContact CA-O 3.48Å; G240-G256 PolarHBondContact N-O 3.37Å | ||
| 257 | C | 53.1 | Low | 52.8 | Low | 18 Ų | 18 | 42.6 Ų | 42.6 | 12% | 0.122 | 32% | 0.318 | C | S | . | . | trans | -84.7 | 134.6 | 172.8 | -66.2 | 0 | 0 | 0 | 0 | 110.8 | C241 G255 G259 | C241-C257 WeakPolarHBondContact O-CA 3.3Å; G255-C257 PolarHBondContact O-N 2.99Å; C257-G259 VanDerWaalsContact C-N 3.34Å | ||
| 258 | K | 50.8 | Low | 52.4 | Low | 182 Ų | 182 | 42.6 Ų | 42.6 | 79% | 0.791 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -83.2 | -4 | 176.5 | -84.2 | -166 | 174.9 | -164.5 | 0 | 114.2 | C241 | C241-K258 PolarHBondContact O-N 2.92Š|
| 259 | G | 48.1 | Very low | 52 | Low | 26 Ų | 26 | 45.1 Ų | 45.1 | 27% | 0.268 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -126.2 | 154.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | G244 C257 | G244-G259 WeakPolarHBondContact CA-O 3.42Å; C257-G259 VanDerWaalsContact C-N 3.34Å |
| 260 | C | 41.6 | Very low | 51.7 | Low | 70 Ų | 70 | 44.8 Ų | 44.8 | 47% | 0.473 | 34% | 0.335 | S | S | . | . | trans | -64.4 | 147.3 | -173.9 | -58.4 | 0 | 0 | 0 | 0 | 113.3 | S275 | C260-S275 PolarHBondContact SG-O 3.32Å; C260-S275 VanDerWaalsContact SG-O 3.42Å | ||
| 261 | C | 50.2 | Low | 51.4 | Low | 24 Ų | 24 | 44.4 Ų | 44.4 | 16% | 0.162 | 33% | 0.331 | C | S | . | . | trans | -93.6 | 127.2 | 164.9 | -61.2 | 0 | 0 | 0 | 0 | 111.4 | C245 C264 | C245-C261 WeakPolarHBondContact O-CA 3.24Å; C245-C261 WeakPolarHBondContact O-CB 3.47Å; C245-C261 PolarHBondContact O-SG 2.89Å; C261-C264 WeakPolarHBondContact CB-SG 3.33Å | ||
| 262 | S | 46.4 | Very low | 50.7 | Low | 90 Ų | 90 | 46.3 Ų | 46.3 | 63% | 0.629 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -82.9 | -20 | -176.6 | -47.3 | 0 | 0 | 0 | 0 | 113.6 | S246 | S246-S262 WeakPolarHBondContact O-CB 3.33Å; S246-S262 PolarHBondContact O-N 3.07Å |
| 263 | S | 48.8 | Very low | 49.9 | Very low | 52 Ų | 52 | 46.1 Ų | 46.1 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | trans | -153.1 | 117.9 | 173.3 | -169.3 | 0 | 0 | 0 | 0 | 110.2 | S246 S247 C248 | S246-S263 PolarHBondContact O-N 3.34Å; S247-S263 CarbonylContact C-O 3.51Å; S247-S263 WeakPolarHBondContact CA-O 3.41Å; C248-S263 PolarHBondContact N-O 3.48Å | ||
| 264 | C | 50.1 | Low | 48.8 | Very low | 16 Ų | 16 | 45.8 Ų | 45.8 | 11% | 0.108 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 128.7 | 172.3 | -72.9 | 0 | 0 | 0 | 0 | 109.2 | C248 C261 G281 | C248-C264 WeakPolarHBondContact O-CA 3.21Å; C261-C264 WeakPolarHBondContact CB-SG 3.33Å; C264-G281 WeakPolarHBondContact O-CA 3.39Å; C264-G281 PolarHBondContact O-N 3.45Å |
| 265 | G | 48.4 | Very low | 48 | Very low | 31 Ų | 31 | 47.9 Ų | 47.9 | 32% | 0.32 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 128.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | C248 G249 G250 | C248-G265 PolarHBondContact O-N 2.89Å; G249-G265 CarbonylContact C-O 3.44Å; G249-G265 VanDerWaalsContact CA-O 3.28Å; G249-G265 WeakPolarHBondContact CA-O 3.33Å; G250-G265 PolarHBondContact N-O 3.24Å |
| 266 | G | 48.8 | Very low | 47.2 | Very low | 59 Ų | 59 | 47.7 Ų | 47.7 | 61% | 0.608 | 36% | 0.362 | S | S | * | . | S | Bend | trans | 73.9 | 29.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | G250 | G250-G266 WeakPolarHBondContact CA-O 3.38Š|
| 267 | C | 51 | Low | 46.5 | Very low | 7 Ų | 7 | 47.5 Ų | 47.5 | 5% | 0.047 | 36% | 0.36 | C | S | . | . | trans | -81.1 | 133.2 | 173.7 | -63.1 | 0 | 0 | 0 | 0 | 111.5 | C251 | C251-C267 VanDerWaalsContact O-CA 3.24Å; C251-C267 WeakPolarHBondContact O-CA 3.43Å | ||
| 268 | G | 47.5 | Very low | 46 | Very low | 42 Ų | 42 | 48.3 Ų | 48.3 | 43% | 0.433 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -70.1 | -39 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | C251 G252 | C251-G268 PolarHBondContact O-N 3.02Å; G252-G268 CarbonylContact O-C 3.55Å; G252-G268 WeakPolarHBondContact O-CA 3.37Å; G252-G268 PolarHBondContact O-N 3.04Å |
| 269 | S | 50.3 | Low | 45.6 | Very low | 55 Ų | 55 | 40.2 Ų | 40.2 | 39% | 0.385 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 130.5 | 175.2 | -68.2 | 0 | 0 | 0 | 0 | 112.2 | G252 T253 C254 | G252-S269 PolarHBondContact O-N 2.9Å; T253-S269 WeakPolarHBondContact CA-O 3.39Å; C254-S269 PolarHBondContact N-O 3.37Å |
| 270 | C | 50.2 | Low | 45 | Very low | 25 Ų | 25 | 47.8 Ų | 47.8 | 17% | 0.169 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 123.1 | 179.5 | -70.3 | 0 | 0 | 0 | 0 | 110.6 | C254 S285 G287 | C254-C270 WeakPolarHBondContact O-CA 3.26Å; C270-S285 PolarHBondContact N-O 3.13Å; C270-G287 PolarHBondContact O-N 3.22Å; C270-G287 VanDerWaalsContact O-N 3.07Å |
| 271 | G | 48.8 | Very low | 45.2 | Very low | 36 Ų | 36 | 45.6 Ų | 45.6 | 37% | 0.371 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 132.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | C254 G255 | C254-G271 PolarHBondContact O-N 2.82Å; G255-G271 WeakPolarHBondContact CA-O 3.26Å |
| 272 | G | 46.6 | Very low | 44.7 | Very low | 43 Ų | 43 | 46.3 Ų | 46.3 | 44% | 0.443 | 36% | 0.364 | S | S | . | . | trans | 49.5 | 73.4 | 157.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | G287 G288 | G272-G287 PolarHBondContact N-O 3.42Å; G272-G288 WeakPolarHBondContact CA-O 2.92Å | ||
| 273 | C | 39.2 | Very low | 44.6 | Very low | 32 Ų | 32 | 43 Ų | 43 | 22% | 0.216 | 34% | 0.341 | C | S | . | . | trans | -95.9 | 130.2 | 168.2 | -65.1 | 0 | 0 | 0 | 0 | 110.3 | S275 C276 | C273-S275 VanDerWaalsContact C-N 3.26Å; C273-S275 PolarHBondContact O-N 2.95Å; C273-C276 WeakPolarHBondContact CB-SG 3.17Å | ||
| 274 | G | 36.9 | Very low | 44.2 | Very low | 56 Ų | 56 | 42.5 Ų | 42.5 | 58% | 0.577 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -68.5 | -21.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 275 | S | 39.6 | Very low | 43.8 | Very low | 65 Ų | 65 | 44.4 Ų | 44.4 | 46% | 0.455 | 36% | 0.357 | S | S | . | . | trans | -164.6 | 115.5 | 169.8 | -74.1 | 0 | 0 | 0 | 0 | 108.4 | C260 C273 | C260-S275 PolarHBondContact SG-O 3.32Å; C260-S275 VanDerWaalsContact SG-O 3.42Å; C273-S275 VanDerWaalsContact C-N 3.26Å; C273-S275 PolarHBondContact O-N 2.95Å | ||
| 276 | C | 41.1 | Very low | 43.7 | Very low | 23 Ų | 23 | 44 Ų | 44 | 16% | 0.155 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 107 | 170.2 | -83.4 | 0 | 0 | 0 | 0 | 107.9 | C273 G293 | C273-C276 WeakPolarHBondContact CB-SG 3.17Å; C276-G293 PolarHBondContact O-N 3.36Å |
| 277 | G | 39.5 | Very low | 43.4 | Very low | 45 Ų | 45 | 43 Ų | 43 | 46% | 0.464 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 110.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 278 | G | 41.4 | Very low | 43.1 | Very low | 35 Ų | 35 | 44.2 Ų | 44.2 | 36% | 0.361 | 35% | 0.353 | S | S | . | . | trans | 94.1 | 42.1 | 162.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | K280 | G278-K280 PolarHBondContact O-N 2.99Š| ||
| 279 | C | 42.5 | Very low | 42.8 | Very low | 13 Ų | 13 | 43.5 Ų | 43.5 | 9% | 0.088 | 34% | 0.34 | C | S | . | . | trans | -68 | 117.3 | 165.1 | -64.7 | 0 | 0 | 0 | 0 | 110.5 | K296 | C279-K296 PolarHBondContact O-N 3.49Š| ||
| 280 | K | 37.1 | Very low | 42.2 | Very low | 185 Ų | 185 | 43.3 Ų | 43.3 | 80% | 0.804 | 35% | 0.348 | S | S | * | . | trans | -86.1 | -13.3 | 171.3 | -80.6 | -174.3 | 176.3 | -179.9 | 0 | 113.7 | G278 | G278-K280 PolarHBondContact O-N 2.99Š| ||
| 281 | G | 44.2 | Very low | 41.7 | Very low | 23 Ų | 23 | 45.9 Ų | 45.9 | 24% | 0.237 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -116.7 | 150.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | C264 | C264-G281 WeakPolarHBondContact O-CA 3.39Å; C264-G281 PolarHBondContact O-N 3.45Å |
| 282 | G | 40.8 | Very low | 41.4 | Very low | 40 Ų | 40 | 47.7 Ų | 47.7 | 41% | 0.412 | 37% | 0.372 | S | S | . | . | trans | -72 | 152.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | G298 | G282-G298 WeakPolarHBondContact CA-O 3.36Š| ||
| 283 | C | 42.8 | Very low | 41.1 | Very low | 21 Ų | 21 | 47.9 Ų | 47.9 | 14% | 0.142 | 37% | 0.374 | C | S | . | . | B | Isolated β-bridge | trans | -113.3 | 137.5 | 177.2 | -70.7 | 0 | 0 | 0 | 0 | 110.6 | C286 G300 | C283-C286 WeakPolarHBondContact CB-SG 3.44Å; C283-G300 PolarHBondContact O-N 3Å |
| 284 | G | 40.8 | Very low | 41.2 | Very low | 41 Ų | 41 | 48.9 Ų | 48.9 | 42% | 0.423 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -64.9 | -54.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | G300 S301 | G284-G300 WeakPolarHBondContact O-CA 3.44Å; G284-G300 PolarHBondContact O-N 3.44Å; G284-S301 PolarHBondContact O-N 3.05Å |
| 285 | S | 42.9 | Very low | 41.4 | Very low | 56 Ų | 56 | 49 Ų | 49 | 39% | 0.392 | 38% | 0.381 | S | S | . | . | trans | -139.1 | 127.8 | 177.6 | -66.5 | 0 | 0 | 0 | 0 | 110.7 | C270 | C270-S285 PolarHBondContact N-O 3.13Š| ||
| 286 | C | 46.1 | Very low | 41.3 | Very low | 23 Ų | 23 | 55.5 Ų | 55.5 | 16% | 0.155 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 118.9 | 179.7 | -77.7 | 0 | 0 | 0 | 0 | 110.7 | C283 S301 G303 | C283-C286 WeakPolarHBondContact CB-SG 3.44Å; C286-S301 PolarHBondContact N-O 3.07Å; C286-G303 PolarHBondContact O-N 3.12Å |
| 287 | G | 43 | Very low | 41.4 | Very low | 37 Ų | 37 | 55.4 Ų | 55.4 | 38% | 0.381 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 124.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112 | C270 G272 | C270-G287 PolarHBondContact O-N 3.22Å; C270-G287 VanDerWaalsContact O-N 3.07Å; G272-G287 PolarHBondContact N-O 3.42Å |
| 288 | G | 44.6 | Very low | 41.5 | Very low | 33 Ų | 33 | 55.5 Ų | 55.5 | 34% | 0.34 | 41% | 0.405 | S | S | . | . | trans | 44.2 | 95.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | G272 G303 G304 | G272-G288 WeakPolarHBondContact CA-O 2.92Å; G288-G303 PolarHBondContact N-O 3.3Å; G288-G303 VanDerWaalsContact N-O 3.09Å; G288-G304 WeakPolarHBondContact CA-O 3.32Å | ||
| 289 | C | 40 | Very low | 41.6 | Very low | 26 Ų | 26 | 55 Ų | 55 | 18% | 0.176 | 40% | 0.395 | C | S | . | . | trans | -102.4 | 133.7 | 169.8 | -63.4 | 0 | 0 | 0 | 0 | 110.4 | C292 | C289-C292 WeakPolarHBondContact CB-SG 3.44Š| ||
| 290 | G | 37.9 | Very low | 41.5 | Very low | 52 Ų | 52 | 56.2 Ų | 56.2 | 54% | 0.536 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -80.2 | -22 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 291 | S | 39.9 | Very low | 41.8 | Very low | 78 Ų | 78 | 50 Ų | 50 | 55% | 0.545 | 39% | 0.391 | S | S | . | . | trans | -162.1 | 113.8 | 171.2 | -75.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 292 | C | 42.4 | Very low | 41.9 | Very low | 74 Ų | 74 | 50.2 Ų | 50.2 | 50% | 0.5 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 110.3 | 177.7 | -98.5 | 0 | 0 | 0 | 0 | 109.7 | C289 | C289-C292 WeakPolarHBondContact CB-SG 3.44Å |
| 293 | G | 39.6 | Very low | 41.9 | Very low | 47 Ų | 47 | 50.2 Ų | 50.2 | 49% | 0.485 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 101.1 | 168 | 0 | 0 | 0 | 0 | 0 | 110 | C276 | C276-G293 PolarHBondContact O-N 3.36Å |
| 294 | G | 41.9 | Very low | 41.9 | Very low | 54 Ų | 54 | 52 Ų | 52 | 56% | 0.557 | 41% | 0.41 | S | S | * | . | trans | 49.8 | 81.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 295 | C | 41.9 | Very low | 42 | Very low | 58 Ų | 58 | 52.9 Ų | 52.9 | 39% | 0.392 | 41% | 0.409 | S | S | . | . | trans | -75.8 | 127.2 | 159.9 | -65.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 296 | K | 36.9 | Very low | 41.8 | Very low | 201 Ų | 201 | 61 Ų | 61 | 87% | 0.874 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -86.1 | -8.9 | 173.3 | -85.1 | -171.3 | 174.5 | -174.1 | 0 | 113.3 | C279 | C279-K296 PolarHBondContact O-N 3.49Š|
| 297 | G | 43.1 | Very low | 41.6 | Very low | 21 Ų | 21 | 61.7 Ų | 61.7 | 22% | 0.216 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -116.9 | 136.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 298 | G | 41.4 | Very low | 41.2 | Very low | 47 Ų | 47 | 63.6 Ų | 63.6 | 49% | 0.485 | 47% | 0.468 | S | S | . | . | trans | -64.9 | 161.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | G282 | G282-G298 WeakPolarHBondContact CA-O 3.36Š| ||
| 299 | C | 43.7 | Very low | 41 | Very low | 24 Ų | 24 | 65.5 Ų | 65.5 | 16% | 0.162 | 48% | 0.475 | C | S | . | . | B | Isolated β-bridge | trans | -111.4 | 133 | 177 | -70.2 | 0 | 0 | 0 | 0 | 110.4 | ||
| 300 | G | 41.2 | Very low | 40.9 | Very low | 40 Ų | 40 | 69.9 Ų | 69.9 | 41% | 0.412 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -71.5 | -36.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | C283 G284 | C283-G300 PolarHBondContact O-N 3Å; G284-G300 WeakPolarHBondContact O-CA 3.44Å; G284-G300 PolarHBondContact O-N 3.44Å |
| 301 | S | 42.1 | Very low | 41 | Very low | 55 Ų | 55 | 72.6 Ų | 72.6 | 39% | 0.385 | 52% | 0.517 | S | S | . | . | trans | -153.5 | 130.6 | 174.3 | -76.5 | 0 | 0 | 0 | 0 | 111.2 | G284 C286 | G284-S301 PolarHBondContact O-N 3.05Å; C286-S301 PolarHBondContact N-O 3.07Å | ||
| 302 | C | 45.9 | Very low | 41.2 | Very low | 26 Ų | 26 | 72.7 Ų | 72.7 | 18% | 0.176 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 124.2 | 179.1 | -76.4 | 0 | 0 | 0 | 0 | 110.6 | ||
| 303 | G | 41.2 | Very low | 41.1 | Very low | 40 Ų | 40 | 73.4 Ų | 73.4 | 41% | 0.412 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 121.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | C286 G288 | C286-G303 PolarHBondContact O-N 3.12Å; G288-G303 PolarHBondContact N-O 3.3Å; G288-G303 VanDerWaalsContact N-O 3.09Å |
| 304 | G | 44.1 | Very low | 41.4 | Very low | 59 Ų | 59 | 73.4 Ų | 73.4 | 61% | 0.608 | 54% | 0.537 | S | S | * | . | trans | 60.9 | 84.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | G288 | G288-G304 WeakPolarHBondContact CA-O 3.32Š| ||
| 305 | C | 43.1 | Very low | 41.5 | Very low | 60 Ų | 60 | 73.1 Ų | 73.1 | 41% | 0.405 | 53% | 0.526 | S | S | . | . | trans | -92.8 | 122.3 | 165.3 | -63 | 0 | 0 | 0 | 0 | 109.7 | G307 C309 | C305-G307 VanDerWaalsContact C-N 3.34Å; C305-C309 VanDerWaalsContact SG-SG 3.69Å | ||
| 306 | K | 38 | Very low | 41.5 | Very low | 227 Ų | 227 | 73.5 Ų | 73.5 | 99% | 0.987 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -86.5 | -1 | 173.3 | -96.6 | -174.4 | 175.5 | -176.9 | 0 | 113.7 | ||
| 307 | G | 41.2 | Very low | 41.6 | Very low | 36 Ų | 36 | 67.5 Ų | 67.5 | 37% | 0.371 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -130.4 | 132.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | C305 C309 | C305-G307 VanDerWaalsContact C-N 3.34Å; G307-C309 PolarHBondContact O-N 3.21Å |
| 308 | G | 35.2 | Very low | 41.5 | Very low | 78 Ų | 78 | 71.1 Ų | 71.1 | 80% | 0.804 | 54% | 0.543 | S | S | * | . | trans | -52.8 | 132.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S310 | G308-S310 PolarHBondContact O-N 3.35Š| ||
| 309 | C | 39.5 | Very low | 41.3 | Very low | 72 Ų | 72 | 71.3 Ų | 71.3 | 49% | 0.486 | 55% | 0.546 | S | S | . | . | trans | -80.2 | 100.8 | 171.1 | -65.5 | 0 | 0 | 0 | 0 | 109.7 | C305 G307 S311 | C305-C309 VanDerWaalsContact SG-SG 3.69Å; G307-C309 PolarHBondContact O-N 3.21Å; C309-S311 VanDerWaalsContact C-N 3.34Å | ||
| 310 | S | 39 | Very low | 40.8 | Very low | 119 Ų | 119 | 75.7 Ų | 75.7 | 83% | 0.832 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -85.9 | 2.1 | 177.8 | -49.1 | 0 | 0 | 0 | 0 | 114.5 | G308 | G308-S310 PolarHBondContact O-N 3.35Š|
| 311 | S | 40.2 | Very low | 40.8 | Very low | 108 Ų | 108 | 79.7 Ų | 79.7 | 76% | 0.755 | 60% | 0.596 | S | S | * | * | trans | -166.6 | 83.4 | 173.4 | -92.1 | 0 | 0 | 0 | 0 | 111.1 | C309 | C309-S311 VanDerWaalsContact C-N 3.34Š| ||
| 312 | C | 44.1 | Very low | 40.4 | Very low | 80 Ų | 80 | 85.9 Ų | 85.9 | 54% | 0.541 | 62% | 0.619 | S | S | . | * | trans | -106.5 | 86.2 | 163.8 | -81.8 | 0 | 0 | 0 | 0 | 108.9 | G314 | C312-G314 VanDerWaalsContact C-N 3.29Å; C312-G314 PolarHBondContact O-N 3.36Å; C312-G314 VanDerWaalsContact O-N 3.12Å | ||
| 313 | G | 40.3 | Very low | 39.9 | Very low | 90 Ų | 90 | 90 Ų | 90 | 93% | 0.928 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -81.1 | 70 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 314 | G | 44.6 | Very low | 39.6 | Very low | 47 Ų | 47 | 93.5 Ų | 93.5 | 49% | 0.485 | 67% | 0.666 | S | S | . | * | trans | 126.4 | 74.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | C312 | C312-G314 VanDerWaalsContact C-N 3.29Å; C312-G314 PolarHBondContact O-N 3.36Å; C312-G314 VanDerWaalsContact O-N 3.12Å | ||
| 315 | C | 44.7 | Very low | 39.3 | Very low | 48 Ų | 48 | 96.7 Ų | 96.7 | 32% | 0.324 | 68% | 0.677 | S | S | . | * | B | Isolated β-bridge | trans | -105.9 | 129.1 | 164.4 | -73 | 0 | 0 | 0 | 0 | 109.5 | ||
| 316 | G | 41.5 | Very low | 39 | Very low | 66 Ų | 66 | 100.5 Ų | 100.5 | 68% | 0.68 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -75.2 | -29.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 317 | S | 39.6 | Very low | 38.4 | Very low | 75 Ų | 75 | 98.8 Ų | 98.8 | 52% | 0.524 | 70% | 0.696 | S | S | . | * | trans | -153.7 | 119.7 | 176.2 | -60.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 318 | C | 39.9 | Very low | 37.8 | Very low | 96 Ų | 96 | 102.7 Ų | 102.7 | 65% | 0.649 | 71% | 0.714 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.3 | 110.6 | 177.1 | -154 | 0 | 0 | 0 | 0 | 109.2 | C320 | C318-C320 PolarHBondContact O-N 3.07Å; C318-C320 VanDerWaalsContact O-N 3.11Å |
| 319 | G | 37.4 | Very low | 37.5 | Very low | 52 Ų | 52 | 105 Ų | 105 | 54% | 0.536 | 72% | 0.717 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.1 | 96.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 320 | C | 34.8 | Very low | 37 | Very low | 115 Ų | 115 | 107.2 Ų | 107.2 | 78% | 0.777 | 73% | 0.732 | S | S | * | * | trans | 32 | 104.8 | 160.4 | -56.2 | 0 | 0 | 0 | 0 | 117.8 | C318 Q322 | C318-C320 PolarHBondContact O-N 3.07Å; C318-C320 VanDerWaalsContact O-N 3.11Å; C320-Q322 PolarHBondContact O-N 3.02Å; C320-Q322 VanDerWaalsContact O-N 3.13Å | ||
| 321 | C | 40.2 | Very low | 36.7 | Very low | 125 Ų | 125 | 107.9 Ų | 107.9 | 85% | 0.845 | 74% | 0.735 | S | S | * | * | trans | -61.3 | 108.4 | 157 | -68.2 | 0 | 0 | 0 | 0 | 109.2 | S323 | C321-S323 PolarHBondContact O-N 3.04Š| ||
| 322 | Q | 33.3 | Very low | 36.4 | Very low | 185 Ų | 185 | 111.4 Ų | 111.4 | 86% | 0.864 | 74% | 0.74 | S | S | * | * | trans | -69.6 | 100 | 166.9 | -79.2 | -167 | -34.6 | 0 | 0 | 109.5 | C320 S324 | C320-Q322 PolarHBondContact O-N 3.02Å; C320-Q322 VanDerWaalsContact O-N 3.13Å; Q322-S324 PolarHBondContact O-N 3.09Å | ||
| 323 | S | 35.1 | Very low | 35.6 | Very low | 112 Ų | 112 | 112.9 Ų | 112.9 | 78% | 0.783 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 41 | 78.6 | 138 | -41.2 | 0 | 0 | 0 | 0 | 117.8 | C321 | C321-S323 PolarHBondContact O-N 3.04Š|
| 324 | S | 35.8 | Very low | 35.3 | Very low | 113 Ų | 113 | 114 Ų | 114 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -177.3 | 129.7 | 135.2 | 24.9 | 0 | 0 | 0 | 0 | 110.4 | Q322 | Q322-S324 PolarHBondContact O-N 3.09Š|
| 325 | C | 37.3 | Very low | 35 | Very low | 127 Ų | 127 | 117.6 Ų | 117.6 | 86% | 0.858 | 76% | 0.761 | S | S | * | * | trans | 84.1 | 52.9 | -179.1 | -56.8 | 0 | 0 | 0 | 0 | 117.5 | K327 | C325-K327 VanDerWaalsContact C-N 3.25Å; C325-K327 PolarHBondContact O-N 3.11Å | ||
| 326 | C | 36.5 | Very low | 34.4 | Very low | 140 Ų | 140 | 121.7 Ų | 121.7 | 95% | 0.946 | 79% | 0.788 | S | S | * | * | trans | -73.8 | 88.2 | 140.6 | -73.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 327 | K | 26.2 | Very low | 33.7 | Very low | 190 Ų | 190 | 127.8 Ų | 127.8 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | -101.5 | 115.8 | 155.9 | -141.9 | 173 | -174.8 | 175.2 | 0 | 105.3 | C325 C329 | C325-K327 VanDerWaalsContact C-N 3.25Å; C325-K327 PolarHBondContact O-N 3.11Å; K327-C329 PolarHBondContact O-N 3.46Å | ||
| 328 | P | 29.3 | Very low | 33.5 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | trans | -72.5 | 101.8 | -170.7 | 28.3 | -31.3 | 0 | 0 | 0 | 109 | C330 | P328-C330 PolarHBondContact O-N 3.13Š| ||
| 329 | C | 27.7 | Very low | 32.9 | Very low | 127 Ų | 127 | 131.2 Ų | 131.2 | 86% | 0.858 | 82% | 0.817 | S | S | * | * | trans | -76.9 | 105.8 | 160.7 | -78.7 | 0 | 0 | 0 | 0 | 106.8 | K327 C331 | K327-C329 PolarHBondContact O-N 3.46Å; C329-C331 PolarHBondContact O-N 2.88Å | ||
| 330 | C | 29 | Very low | 32.7 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 80% | 0.797 | 83% | 0.828 | S | S | * | * | trans | -45.6 | 131.1 | -179.4 | -71.7 | 0 | 0 | 0 | 0 | 111.9 | P328 Q332 | P328-C330 PolarHBondContact O-N 3.13Å; C330-Q332 PolarHBondContact O-N 3.1Å; C330-Q332 VanDerWaalsContact O-N 3.1Å | ||
| 331 | C | 33.9 | Very low | 32.7 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 91% | 0.905 | 83% | 0.83 | S | S | * | * | trans | -50.8 | 111.8 | 164.6 | -60.1 | 0 | 0 | 0 | 0 | 109.7 | C329 | C329-C331 PolarHBondContact O-N 2.88Š| ||
| 332 | Q | 32.3 | Very low | 32.5 | Very low | 182 Ų | 182 | 136.9 Ų | 136.9 | 85% | 0.85 | 83% | 0.829 | S | S | * | * | trans | -104.4 | 137.4 | 152.7 | -89.4 | -156.4 | -41.9 | 0 | 0 | 108.8 | C330 | C330-Q332 PolarHBondContact O-N 3.1Å; C330-Q332 VanDerWaalsContact O-N 3.1Å | ||
| 333 | S | 28 | Very low | 32.5 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | S | Bend | trans | 100.9 | 82.1 | 173.7 | -39.3 | 0 | 0 | 0 | 0 | 114.9 | ||
| 334 | S | 33.4 | Very low | 32.9 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | 40.9 | 116.9 | 120 | -42.2 | 0 | 0 | 0 | 0 | 119 | |||||
| 335 | C | 39 | Very low | 33.3 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 83% | 0.831 | 82% | 0.824 | S | S | * | * | trans | 72.3 | 85 | 149.1 | -61.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 336 | C | 32 | Very low | 33.4 | Very low | 133 Ų | 133 | 133.7 Ų | 133.7 | 90% | 0.899 | 83% | 0.825 | S | S | * | * | trans | -153.1 | 129 | 130.9 | -92.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 337 | K | 27.7 | Very low | 33.1 | Very low | 195 Ų | 195 | 136.4 Ų | 136.4 | 85% | 0.848 | 82% | 0.821 | S | S | * | * | trans | -47.3 | 139.7 | 177.8 | -100.4 | 166.9 | 167 | 169.7 | 0 | 112.5 | C339 | K337-C339 PolarHBondContact O-N 3.43Š| ||
| 338 | P | 33.7 | Very low | 33.3 | Very low | 118 Ų | 118 | 133 Ų | 133 | 77% | 0.766 | 82% | 0.819 | S | S | * | * | trans | -76.5 | 108.7 | 171.2 | 30.4 | -28.8 | 0 | 0 | 0 | 109.5 | C340 | P338-C340 PolarHBondContact O-N 3.26Š| ||
| 339 | C | 29 | Very low | 33.4 | Very low | 125 Ų | 125 | 133.1 Ų | 133.1 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | trans | -75.8 | 105.1 | 153.1 | -81.2 | 0 | 0 | 0 | 0 | 106.9 | K337 C341 | K337-C339 PolarHBondContact O-N 3.43Å; C339-C341 PolarHBondContact O-N 3.02Å | ||
| 340 | C | 31.6 | Very low | 33.7 | Very low | 114 Ų | 114 | 132.7 Ų | 132.7 | 77% | 0.77 | 82% | 0.818 | S | S | * | * | trans | -56.8 | 108.2 | 173.7 | -70 | 0 | 0 | 0 | 0 | 110.5 | P338 Q342 | P338-C340 PolarHBondContact O-N 3.26Å; C340-Q342 VanDerWaalsContact C-N 3.33Å; C340-Q342 PolarHBondContact O-N 3.5Å | ||
| 341 | C | 35.3 | Very low | 34 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -68.8 | 96.3 | 155.8 | -73.8 | 0 | 0 | 0 | 0 | 107.8 | C339 S343 | C339-C341 PolarHBondContact O-N 3.02Å; C341-S343 VanDerWaalsContact C-N 3.31Å; C341-S343 PolarHBondContact O-N 2.98Å | ||
| 342 | Q | 37 | Very low | 34 | Very low | 176 Ų | 176 | 135.2 Ų | 135.2 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | trans | -64.2 | 94.1 | 159.6 | -84.6 | -165.7 | -46.1 | 0 | 0 | 108.4 | C340 | C340-Q342 VanDerWaalsContact C-N 3.33Å; C340-Q342 PolarHBondContact O-N 3.5Å | ||
| 343 | S | 33 | Very low | 34 | Very low | 107 Ų | 107 | 132.2 Ų | 132.2 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | trans | -96.8 | 95.3 | 164.1 | -61.3 | 0 | 0 | 0 | 0 | 108.3 | C341 C345 | C341-S343 VanDerWaalsContact C-N 3.31Å; C341-S343 PolarHBondContact O-N 2.98Å; S343-C345 VanDerWaalsContact C-N 3.32Å; S343-C345 PolarHBondContact O-N 3.17Å | ||
| 344 | S | 42.8 | Very low | 34.6 | Very low | 111 Ų | 111 | 131.9 Ų | 131.9 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | trans | -56.2 | 78.8 | 173.7 | -42.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 345 | C | 44.7 | Very low | 34.6 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -157.3 | 54.5 | 174.5 | -105.2 | 0 | 0 | 0 | 0 | 113.5 | S343 | S343-C345 VanDerWaalsContact C-N 3.32Å; S343-C345 PolarHBondContact O-N 3.17Å | ||
| 346 | C | 38.9 | Very low | 34.5 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 89% | 0.892 | 84% | 0.841 | S | S | * | * | trans | -148.3 | 91.5 | 151.8 | -81.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 347 | K | 30.2 | Very low | 34.6 | Very low | 198 Ų | 198 | 136.5 Ų | 136.5 | 86% | 0.861 | 84% | 0.838 | S | S | * | * | trans | -123.2 | 105.5 | 162.7 | -157.6 | 177.1 | -171.2 | 177.2 | 0 | 107.7 | ||||
| 348 | P | 31.6 | Very low | 35 | Very low | 119 Ų | 119 | 133.4 Ų | 133.4 | 77% | 0.773 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 135.7 | 146.3 | 2.5 | 16.5 | 0 | 0 | 0 | 108.4 | ||
| 349 | C | 30.7 | Very low | 35.1 | Very low | 120 Ų | 120 | 134.2 Ų | 134.2 | 81% | 0.811 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 152.2 | 175.6 | -75.2 | 0 | 0 | 0 | 0 | 112.7 | ||
| 350 | C | 34.4 | Very low | 35.4 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 80% | 0.797 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 147.5 | -174.4 | -49.6 | 0 | 0 | 0 | 0 | 116.9 | ||
| 351 | C | 34.5 | Very low | 35.7 | Very low | 137 Ų | 137 | 136.1 Ų | 136.1 | 93% | 0.926 | 85% | 0.846 | S | S | * | * | -147.4 | 127.3 | 125 | -91.1 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 352 | Q | 33.8 | Very low | 35.7 | Very low | 167 Ų | 167 | 137.1 Ų | 137.1 | 78% | 0.78 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 161.9 | -168.3 | -67.6 | 167.1 | -110.8 | 0 | 0 | 115.2 | ||
| 353 | P | 33 | Very low | 35.6 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 78% | 0.779 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 123.1 | 138.2 | 31.7 | -22 | 0 | 0 | 0 | 110.2 | ||
| 354 | S | 39.4 | Very low | 35.8 | Very low | 103 Ų | 103 | 136.4 Ų | 136.4 | 72% | 0.72 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 121.1 | 166.3 | -43.9 | 0 | 0 | 0 | 0 | 108.5 | ||
| 355 | C | 34.7 | Very low | 35.2 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 80% | 0.804 | 86% | 0.864 | S | S | * | * | trans | -134.8 | 111.9 | 160.7 | -65.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 356 | C | 36.6 | Very low | 34.3 | Very low | 210 Ų | 210 | 140.3 Ų | 140.3 | 100% | 1.419 | 87% | 0.869 | S | S | * | * | trans | -124.8 | 0 | 134 | -80.2 | 0 | 0 | 0 | 0 | 105.7 |
Retrieved 356 of 356 residues in 397.3 ms
(Link to these results)