| 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 | 38.8 | Very low | 37.6 | Very low | 233 Ų | 233 | 150.6 Ų | 150.6 | 100% | 1.148 | 81% | 0.805 | S | S | * | * | 0 | 104.5 | 0 | -157.8 | 178.9 | -155.4 | 0 | 0 | 106.5 | |||||
| 2 | F | 28.4 | Very low | 37.9 | Very low | 210 Ų | 210 | 148.8 Ų | 148.8 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | trans | -178.3 | 93.1 | 152.1 | -90.4 | -62.4 | 0 | 0 | 0 | 106.2 | ||||
| 3 | T | 32.6 | Very low | 38 | Very low | 138 Ų | 138 | 147.6 Ų | 147.6 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | trans | -66.2 | 123.3 | 172.1 | 38.4 | 0 | 0 | 0 | 0 | 109.6 | N5 | T3-N5 PolarHBondContact O-N 3.46Š| ||
| 4 | V | 36.6 | Very low | 38.3 | Very low | 137 Ų | 137 | 142.6 Ų | 142.6 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | trans | -71.1 | 117.9 | 170.7 | 178 | 0 | 0 | 0 | 0 | 108.2 | M6 | V4-M6 PolarHBondContact O-N 2.88Š| ||
| 5 | N | 34.7 | Very low | 38.4 | Very low | 139 Ų | 139 | 139.7 Ų | 139.7 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | -79.1 | 102.8 | -176.3 | -165 | -3.8 | 0 | 0 | 0 | 110.2 | T3 A7 | T3-N5 PolarHBondContact O-N 3.46Å; N5-A7 PolarHBondContact O-N 2.99Å; N5-A7 WeakPolarHBondContact OD1-CB 3.4Å | ||
| 6 | M | 43.1 | Very low | 38.5 | Very low | 183 Ų | 183 | 139.5 Ų | 139.5 | 90% | 0.901 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 54.2 | 171.8 | -73.6 | -164.6 | 76.6 | 0 | 0 | 112.3 | V4 | V4-M6 PolarHBondContact O-N 2.88Š|
| 7 | A | 39.8 | Very low | 38.8 | Very low | 66 Ų | 66 | 136 Ų | 136 | 55% | 0.545 | 74% | 0.738 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -121.2 | 3.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | N5 | N5-A7 PolarHBondContact O-N 2.99Å; N5-A7 WeakPolarHBondContact OD1-CB 3.4Å |
| 8 | G | 40.8 | Very low | 38.7 | Very low | 55 Ų | 55 | 135.7 Ų | 135.7 | 57% | 0.567 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -101.6 | -16 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 9 | L | 38.3 | Very low | 38.8 | Very low | 164 Ų | 164 | 135.3 Ų | 135.3 | 86% | 0.859 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -100.2 | -6.5 | -175.4 | -97.7 | 105.3 | 0 | 0 | 0 | 115.2 | ||
| 10 | Q | 40.5 | Very low | 38.7 | Very low | 161 Ų | 161 | 133.6 Ų | 133.6 | 75% | 0.752 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | -0.3 | -173.7 | -144.9 | 161.6 | -2.4 | 0 | 0 | 114.4 | ||
| 11 | K | 39.5 | Very low | 38.9 | Very low | 171 Ų | 171 | 138.4 Ų | 138.4 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | -12.5 | 175.4 | -71.8 | -171.9 | 177.2 | -177.7 | 0 | 114.8 | ||
| 12 | I | 41.3 | Very low | 38.9 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 66% | 0.662 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -89.1 | -26.7 | 176.7 | -65 | 175 | 0 | 0 | 0 | 111.5 | ||
| 13 | L | 39.1 | Very low | 39.6 | Very low | 133 Ų | 133 | 130.3 Ų | 130.3 | 70% | 0.696 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -78 | -20.3 | 177.1 | -137.2 | 80.1 | 0 | 0 | 0 | 113.7 | ||
| 14 | V | 42.9 | Very low | 40 | Very low | 78 Ų | 78 | 126.5 Ų | 126.5 | 47% | 0.473 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -88.2 | -25.2 | -178 | 178.2 | 0 | 0 | 0 | 0 | 111.9 | L18 | V14-L18 HydrophobicContact CG1-CD1 3.6Å; V14-L18 HydrophobicContact CG1-CG 4.3Å; V14-L18 WeakPolarHBondContact O-CB 3.32Å; V14-L18 WeakPolarHBondContact O-CD1 3.27Å; V14-L18 WeakPolarHBondContact O-CG 3.45Å; V14-L18 PolarHBondContact O-N 2.96Å |
| 15 | V | 40.3 | Very low | 40.7 | Very low | 98 Ų | 98 | 125.2 Ų | 125.2 | 59% | 0.594 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -80.5 | -29.6 | 175.6 | -179.7 | 0 | 0 | 0 | 0 | 111.9 | C17 | V15-C17 VanDerWaalsContact C-N 3.34Å |
| 16 | L | 38.8 | Very low | 42.4 | Very low | 137 Ų | 137 | 126 Ų | 126 | 72% | 0.717 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -75.4 | -20.6 | 173.1 | -119.4 | 83.2 | 0 | 0 | 0 | 113.8 | T20 | L16-T20 PolarHBondContact O-OG1 2.96Å |
| 17 | C | 43.4 | Very low | 44.4 | Very low | 80 Ų | 80 | 118.2 Ų | 118.2 | 54% | 0.541 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -97.3 | -6 | 176.7 | -83.1 | 0 | 0 | 0 | 0 | 114.6 | V15 | V15-C17 VanDerWaalsContact C-N 3.34Š|
| 18 | L | 37.8 | Very low | 46.8 | Very low | 131 Ų | 131 | 118.2 Ų | 118.2 | 69% | 0.686 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -102.2 | 0.1 | 179.9 | -74.5 | 173.7 | 0 | 0 | 0 | 114.6 | V14 | V14-L18 HydrophobicContact CG1-CD1 3.6Å; V14-L18 HydrophobicContact CG1-CG 4.3Å; V14-L18 WeakPolarHBondContact O-CB 3.32Å; V14-L18 WeakPolarHBondContact O-CD1 3.27Å; V14-L18 WeakPolarHBondContact O-CG 3.45Å; V14-L18 PolarHBondContact O-N 2.96Å |
| 19 | V | 40.6 | Very low | 49 | Very low | 128 Ų | 128 | 123.5 Ų | 123.5 | 78% | 0.776 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -104.5 | -6.7 | 167.9 | -168.6 | 0 | 0 | 0 | 0 | 112 | ||
| 20 | T | 37.3 | Very low | 51.5 | Low | 101 Ų | 101 | 123.5 Ų | 123.5 | 62% | 0.62 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -101 | 21.3 | -178.7 | 42.3 | 0 | 0 | 0 | 0 | 114.1 | L16 | L16-T20 PolarHBondContact O-OG1 2.96Š|
| 21 | R | 41.9 | Very low | 53.9 | Low | 234 Ų | 234 | 118.4 Ų | 118.4 | 88% | 0.883 | 62% | 0.62 | S | S | * | * | trans | -131.2 | 66.6 | 174 | -76.2 | -173.1 | 173.3 | -179 | -1.3 | 111.7 | ||||
| 22 | A | 38.7 | Very low | 56.3 | Low | 89 Ų | 89 | 112.2 Ų | 112.2 | 74% | 0.736 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -131.5 | 128.2 | 149.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | S24 | A22-S24 PolarHBondContact O-N 3.25Š|
| 23 | I | 43.3 | Very low | 58.6 | Low | 185 Ų | 185 | 109.8 Ų | 109.8 | 95% | 0.949 | 58% | 0.583 | S | S | * | * | trans | -70.2 | 100.1 | -167.7 | -63.3 | 159.8 | 0 | 0 | 0 | 110 | ||||
| 24 | S | 40.4 | Very low | 61 | Low | 58 Ų | 58 | 105.3 Ų | 105.3 | 41% | 0.406 | 57% | 0.565 | S | S | . | * | trans | -154.9 | 103.6 | 150.8 | 60.9 | 0 | 0 | 0 | 0 | 107.3 | A22 D26 | A22-S24 PolarHBondContact O-N 3.25Å; S24-D26 PolarHBondContact O-N 3.45Å | ||
| 25 | Q | 53 | Low | 63.3 | Low | 110 Ų | 110 | 101.6 Ų | 101.6 | 51% | 0.514 | 54% | 0.542 | S | S | . | . | trans | -18.9 | 106.9 | 165.9 | -73.1 | 161.8 | -17.9 | 0 | 0 | 113.2 | M27 R51 | Q25-M27 PolarHBondContact O-N 2.8Å; Q25-R51 PolarHBondContact O-NH1 2.95Å | ||
| 26 | D | 70.1 | Confident | 65.6 | Low | 154 Ų | 154 | 99.8 Ų | 99.8 | 82% | 0.824 | 53% | 0.529 | S | S | * | . | trans | -55.8 | 101.2 | 178.4 | -71.6 | -37.5 | 0 | 0 | 0 | 108.8 | S24 | S24-D26 PolarHBondContact O-N 3.45Š| ||
| 27 | M | 83.8 | Confident | 68.1 | Low | 20 Ų | 20 | 101.6 Ų | 101.6 | 10% | 0.099 | 53% | 0.534 | C | S | . | . | trans | -67 | 127.9 | 170.4 | 176.3 | -178.6 | -79.1 | 0 | 0 | 106.6 | Q25 Y29 E31 L32 Q35 P50 R51 | Q25-M27 PolarHBondContact O-N 2.8Å; M27-Y29 PolarHBondContact O-N 3.12Å; M27-E31 HydrophobicContact CG-CB 3.57Å; M27-E31 HydrophobicContact SD-CB 4.12Å; M27-L32 HydrophobicContact CG-CB 4.21Å; M27-L32 WeakPolarHBondContact SD-CA 3.24Å; M27-L32 HydrophobicContact SD-CB 3.9Å; M27-L32 HydrophobicContact SD-CD1 4.15Å; M27-L32 PolarHBondContact SD-N 3.26Å; M27-L32 VanDerWaalsContact SD-N 3.42Å; M27-Q35 HydrophobicContact CE-CG 4.47Å; M27-Q35 HydrophobicContact SD-CB 4.33Å; M27-P50 HydrophobicContact CB-CG 4.28Å; M27-P50 HydrophobicContact CE-CB 4.02Å; M27-P50 HydrophobicContact CE-CG 4.01Å; M27-P50 HydrophobicContact SD-CB 3.78Å; M27-P50 HydrophobicContact SD-CG 3.85Å; M27-R51 HydrophobicContact CE-CB 4.4Å; M27-R51 HydrophobicContact CE-CG 3.31Å | ||
| 28 | P | 90.7 | Very high | 70.5 | Confident | 67 Ų | 67 | 100 Ų | 100 | 44% | 0.435 | 53% | 0.526 | S | S | . | . | trans | -50.5 | 142.1 | 173.4 | -24.9 | 32.2 | 0 | 0 | 0 | 111 | E30 E31 L32 | P28-E30 PolarHBondContact O-N 3.36Å; P28-E30 VanDerWaalsContact O-N 3.16Å; P28-E31 HydrophobicContact CB-CB 4.46Å; P28-E31 HydrophobicContact CB-CG 4.09Å; P28-E31 WeakPolarHBondContact CD-OE2 3.5Å; P28-E31 HydrophobicContact CG-CG 4.12Å; P28-E31 WeakPolarHBondContact O-CB 3.45Å; P28-E31 PolarHBondContact O-N 3.37Å; P28-L32 PolarHBondContact O-N 2.74Å | ||
| 29 | Y | 87.4 | Confident | 73.3 | Confident | 165 Ų | 165 | 95.3 Ų | 95.3 | 65% | 0.647 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -55.9 | -37.2 | -174.8 | -179.5 | -106.4 | 0 | 0 | 0 | 113 | M27 L32 L33 | M27-Y29 PolarHBondContact O-N 3.12Å; Y29-L32 WeakPolarHBondContact O-CB 3.42Å; Y29-L32 PolarHBondContact O-N 2.9Å; Y29-L33 HydrophobicContact CD1-CD1 3.93Å; Y29-L33 HydrophobicContact CD1-CG 4.38Å; Y29-L33 HydrophobicContact CE1-CD1 3.32Å; Y29-L33 HydrophobicContact CE1-CG 3.97Å; Y29-L33 HydrophobicContact CE2-CD1 4.46Å; Y29-L33 HydrophobicContact CE2-CD2 4.4Å; Y29-L33 HydrophobicContact CE2-CG 4.28Å; Y29-L33 WeakPolarHBondContact O-CG 3.28Å; Y29-L33 PolarHBondContact O-N 2.8Å |
| 30 | E | 89.6 | Confident | 76 | Confident | 165 Ų | 165 | 90 Ų | 90 | 77% | 0.771 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64.4 | -42.5 | 175.8 | -64.5 | -179.5 | 179.3 | 0 | 0 | 112.4 | P28 L32 L33 A34 | P28-E30 PolarHBondContact O-N 3.36Å; P28-E30 VanDerWaalsContact O-N 3.16Å; E30-L32 VanDerWaalsContact C-N 3.33Å; E30-L33 PolarHBondContact O-N 2.81Å; E30-A34 WeakPolarHBondContact O-CB 3.44Å; E30-A34 PolarHBondContact O-N 2.03Å |
| 31 | E | 91.6 | Very high | 78.8 | Confident | 53 Ų | 53 | 97.1 Ų | 97.1 | 25% | 0.248 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -64.9 | -40.3 | 175 | -62.3 | -172.7 | -178.8 | 0 | 0 | 110.9 | M27 P28 A34 Q35 Y69 | M27-E31 HydrophobicContact CG-CB 3.57Å; M27-E31 HydrophobicContact SD-CB 4.12Å; P28-E31 HydrophobicContact CB-CB 4.46Å; P28-E31 HydrophobicContact CB-CG 4.09Å; P28-E31 WeakPolarHBondContact CD-OE2 3.5Å; P28-E31 HydrophobicContact CG-CG 4.12Å; P28-E31 WeakPolarHBondContact O-CB 3.45Å; P28-E31 PolarHBondContact O-N 3.37Å; E31-A34 PolarHBondContact O-N 3.26Å; E31-Q35 WeakPolarHBondContact O-CB 3.47Å; E31-Q35 PolarHBondContact O-N 3Å; E31-Y69 HydrophobicContact CB-CD1 4.25Å; E31-Y69 HydrophobicContact CB-CD2 3.95Å; E31-Y69 HydrophobicContact CB-CE1 4.25Å; E31-Y69 HydrophobicContact CB-CE2 3.97Å; E31-Y69 HydrophobicContact CB-CG 4.11Å; E31-Y69 VanDerWaalsContact CD-CE1 3.43Å; E31-Y69 HydrophobicContact CG-CD1 3.99Å; E31-Y69 HydrophobicContact CG-CD2 4.32Å; E31-Y69 HydrophobicContact CG-CE1 3.6Å; E31-Y69 HydrophobicContact CG-CE2 3.97Å; E31-Y69 HydrophobicContact CG-CG 4.34Å |
| 32 | L | 90.2 | Very high | 81.4 | Confident | 41 Ų | 41 | 90 Ų | 90 | 22% | 0.215 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -60.1 | -48.1 | 176.5 | 177.4 | 64.3 | 0 | 0 | 0 | 111.5 | M27 P28 Y29 E30 Q35 I36 P50 | M27-L32 HydrophobicContact CG-CB 4.21Å; M27-L32 WeakPolarHBondContact SD-CA 3.24Å; M27-L32 HydrophobicContact SD-CB 3.9Å; M27-L32 HydrophobicContact SD-CD1 4.15Å; M27-L32 PolarHBondContact SD-N 3.26Å; M27-L32 VanDerWaalsContact SD-N 3.42Å; P28-L32 PolarHBondContact O-N 2.74Å; Y29-L32 WeakPolarHBondContact O-CB 3.42Å; Y29-L32 PolarHBondContact O-N 2.9Å; E30-L32 VanDerWaalsContact C-N 3.33Å; L32-Q35 PolarHBondContact O-N 3.36Å; L32-I36 HydrophobicContact CD1-CD1 3.8Å; L32-I36 HydrophobicContact CD1-CG1 4.31Å; L32-I36 HydrophobicContact CG-CD1 3.91Å; L32-I36 VanDerWaalsContact O-CG1 3.28Å; L32-I36 WeakPolarHBondContact O-CG1 3.32Å; L32-I36 PolarHBondContact O-N 2.95Å; L32-P50 HydrophobicContact CD1-CB 3.32Å; L32-P50 HydrophobicContact CD1-CG 3.81Å |
| 33 | L | 89.3 | Confident | 84.2 | Confident | 79 Ų | 79 | 86.5 Ų | 86.5 | 41% | 0.414 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.7 | -46 | 176.8 | -73.1 | -178.6 | 0 | 0 | 0 | 111.6 | Y29 E30 Q35 I36 Q37 | Y29-L33 HydrophobicContact CD1-CD1 3.93Å; Y29-L33 HydrophobicContact CD1-CG 4.38Å; Y29-L33 HydrophobicContact CE1-CD1 3.32Å; Y29-L33 HydrophobicContact CE1-CG 3.97Å; Y29-L33 HydrophobicContact CE2-CD1 4.46Å; Y29-L33 HydrophobicContact CE2-CD2 4.4Å; Y29-L33 HydrophobicContact CE2-CG 4.28Å; Y29-L33 WeakPolarHBondContact O-CG 3.28Å; Y29-L33 PolarHBondContact O-N 2.8Å; E30-L33 PolarHBondContact O-N 2.81Å; L33-Q35 VanDerWaalsContact C-N 3.3Å; L33-Q35 PolarHBondContact O-N 2.87Å; L33-I36 PolarHBondContact O-N 3.36Å; L33-Q37 VanDerWaalsContact O-CB 3.27Å; L33-Q37 WeakPolarHBondContact O-CB 3.35Å; L33-Q37 PolarHBondContact O-N 3.32Å |
| 34 | A | 90.3 | Very high | 86.7 | Confident | 38 Ų | 38 | 82.1 Ų | 82.1 | 31% | 0.314 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.1 | -41.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E30 E31 A38 Y69 | E30-A34 WeakPolarHBondContact O-CB 3.44Å; E30-A34 PolarHBondContact O-N 2.03Å; E31-A34 PolarHBondContact O-N 3.26Å; A34-A38 WeakPolarHBondContact O-CB 3.12Å; A34-A38 PolarHBondContact O-N 3.48Å; A34-Y69 HydrophobicContact CB-CE2 4.13Å |
| 35 | Q | 90.9 | Very high | 89.4 | Confident | 1 Ų | 1 | 80.1 Ų | 80.1 | 1% | 0.005 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.9 | -46 | 178.6 | -176.6 | 71.5 | 14 | 0 | 0 | 112 | M27 E31 L32 L33 C39 P50 P67 T70 | M27-Q35 HydrophobicContact CE-CG 4.47Å; M27-Q35 HydrophobicContact SD-CB 4.33Å; E31-Q35 WeakPolarHBondContact O-CB 3.47Å; E31-Q35 PolarHBondContact O-N 3Å; L32-Q35 PolarHBondContact O-N 3.36Å; L33-Q35 VanDerWaalsContact C-N 3.3Å; L33-Q35 PolarHBondContact O-N 2.87Å; Q35-C39 PolarHBondContact O-N 3.34Å; Q35-P50 WeakPolarHBondContact CG-O 3.34Å; Q35-P50 PolarHBondContact NE2-O 2.96Å; Q35-P50 VanDerWaalsContact NE2-O 3.14Å; Q35-P67 VanDerWaalsContact CD-CB 3.43Å; Q35-P67 HydrophobicContact CG-CB 4.46Å; Q35-T70 PolarHBondContact NE2-OG1 2.9Å |
| 36 | I | 88.5 | Confident | 91.3 | Very high | 60 Ų | 60 | 75.9 Ų | 75.9 | 31% | 0.308 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66 | -44.3 | 177.9 | -67.1 | 165.7 | 0 | 0 | 0 | 110.4 | L32 L33 A38 C39 Q47 | L32-I36 HydrophobicContact CD1-CD1 3.8Å; L32-I36 HydrophobicContact CD1-CG1 4.31Å; L32-I36 HydrophobicContact CG-CD1 3.91Å; L32-I36 VanDerWaalsContact O-CG1 3.28Å; L32-I36 WeakPolarHBondContact O-CG1 3.32Å; L32-I36 PolarHBondContact O-N 2.95Å; L33-I36 PolarHBondContact O-N 3.36Å; I36-A38 PolarHBondContact O-N 2.96Å; I36-C39 VanDerWaalsContact O-CB 3.24Å; I36-C39 WeakPolarHBondContact O-CB 3.01Å; I36-C39 PolarHBondContact O-N 3.4Å; I36-Q47 HydrophobicContact CD1-CG 3.95Å |
| 37 | Q | 91.8 | Very high | 92.3 | Very high | 175 Ų | 175 | 75.5 Ų | 75.5 | 82% | 0.818 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -69 | -32.9 | -177.9 | -171.4 | 175.5 | 4.6 | 0 | 0 | 112.7 | L33 C39 | L33-Q37 VanDerWaalsContact O-CB 3.27Å; L33-Q37 WeakPolarHBondContact O-CB 3.35Å; L33-Q37 PolarHBondContact O-N 3.32Å; Q37-C39 VanDerWaalsContact C-N 3.28Å |
| 38 | A | 94.3 | Very high | 92.6 | Very high | 46 Ų | 46 | 81 Ų | 81 | 38% | 0.38 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -1.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | A34 I36 P67 | A34-A38 WeakPolarHBondContact O-CB 3.12Å; A34-A38 PolarHBondContact O-N 3.48Å; I36-A38 PolarHBondContact O-N 2.96Å; A38-P67 HydrophobicContact CB-CB 4.06Å; A38-P67 HydrophobicContact CB-CG 4.15Å |
| 39 | C | 95.9 | Very high | 92.7 | Very high | 33 Ų | 33 | 81.1 Ų | 81.1 | 22% | 0.223 | 40% | 0.397 | C | S | . | . | trans | -60.3 | 127.5 | -176.8 | -168.2 | 0 | 0 | 0 | 0 | 111.6 | Q35 I36 Q37 C45 | Q35-C39 PolarHBondContact O-N 3.34Å; I36-C39 VanDerWaalsContact O-CB 3.24Å; I36-C39 WeakPolarHBondContact O-CB 3.01Å; I36-C39 PolarHBondContact O-N 3.4Å; Q37-C39 VanDerWaalsContact C-N 3.28Å; C39-C45 HydrophobicContact CB-CB 3.78Å; C39-C45 WeakPolarHBondContact CB-SG 2.94Å; C39-C45 WeakPolarHBondContact SG-CB 3.44Å; C39-C45 CovalentContact SG-SG 2.03Å; C39-C45 PolarHBondContact SG-SG 3.11Å | ||
| 40 | P | 96.3 | Very high | 92.9 | Very high | 15 Ų | 15 | 74.2 Ų | 74.2 | 10% | 0.097 | 37% | 0.373 | C | S | . | . | trans | -60.1 | 141.9 | 175 | -22.1 | 32 | 0 | 0 | 0 | 111.6 | E42 C43 P64 K65 | P40-E42 HydrophobicContact CB-CG 4.1Å; P40-E42 PolarHBondContact O-N 3Å; P40-C43 HydrophobicContact CB-CB 4.01Å; P40-C43 HydrophobicContact CG-CB 4.27Å; P40-C43 PolarHBondContact O-N 3.43Å; P40-P64 HydrophobicContact CB-CB 3.86Å; P40-P64 HydrophobicContact CB-CG 4.18Å; P40-P64 HydrophobicContact CG-CB 3.94Å; P40-P64 HydrophobicContact CG-CG 4.04Å; P40-K65 WeakPolarHBondContact CG-O 3.02Å | ||
| 41 | R | 96.1 | Very high | 93.2 | Very high | 252 Ų | 252 | 67.8 Ų | 67.8 | 95% | 0.951 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -31.3 | -176.4 | -70 | -178 | 175 | 164.5 | -1.1 | 112.8 | C43 | R41-C43 VanDerWaalsContact C-N 3.29Š|
| 42 | E | 96.6 | Very high | 93.5 | Very high | 83 Ų | 83 | 65.2 Ų | 65.2 | 39% | 0.388 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -15.4 | 177.1 | 56.1 | -95.5 | -120.3 | 0 | 0 | 113.5 | P40 K58 L60 P64 | P40-E42 HydrophobicContact CB-CG 4.1Å; P40-E42 PolarHBondContact O-N 3Å; E42-K58 WeakPolarHBondContact O-CD 3.1Å; E42-K58 VanDerWaalsContact O-CE 3.32Å; E42-K58 WeakPolarHBondContact O-CE 3.11Å; E42-K58 WeakPolarHBondContact O-CG 3.24Å; E42-L60 HydrophobicContact CB-CD2 3.92Å; E42-L60 HydrophobicContact CG-CD1 4.48Å; E42-L60 HydrophobicContact CG-CD2 3.79Å; E42-P64 HydrophobicContact CG-CB 4.38Å; E42-P64 HydrophobicContact CG-CG 4.48Å; E42-P64 WeakPolarHBondContact OE1-CB 3.27Å |
| 43 | C | 97.8 | Very high | 93.8 | Very high | 16 Ų | 16 | 63.3 Ų | 63.3 | 11% | 0.108 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -108.9 | 170.7 | -174.1 | -56.3 | 0 | 0 | 0 | 0 | 112.1 | P40 R41 V53 Y54 C55 | P40-C43 HydrophobicContact CB-CB 4.01Å; P40-C43 HydrophobicContact CG-CB 4.27Å; P40-C43 PolarHBondContact O-N 3.43Å; R41-C43 VanDerWaalsContact C-N 3.29Å; C43-V53 HydrophobicContact CB-CG1 4.15Å; C43-Y54 CarbonylContact C-O 3.44Å; C43-Y54 VanDerWaalsContact CA-O 3.27Å; C43-Y54 WeakPolarHBondContact CA-O 3.17Å; C43-Y54 WeakPolarHBondContact CB-O 3.3Å; C43-C55 HydrophobicContact CB-CB 4.11Å; C43-C55 WeakPolarHBondContact CB-SG 3.05Å; C43-C55 WeakPolarHBondContact SG-CB 3.06Å; C43-C55 CovalentContact SG-SG 2.02Å; C43-C55 PolarHBondContact SG-SG 2.84Å |
| 44 | N | 97.4 | Very high | 94.3 | Very high | 93 Ų | 93 | 62.9 Ų | 62.9 | 50% | 0.497 | 31% | 0.313 | S | S | . | . | B | Isolated β-bridge | trans | -119.6 | 129.8 | 174.3 | 179.6 | 24.7 | 0 | 0 | 0 | 110.1 | Y54 | N44-Y54 PolarHBondContact N-O 3.02Å; N44-Y54 PolarHBondContact O-N 3.19Å |
| 45 | C | 96.2 | Very high | 94.7 | Very high | 16 Ų | 16 | 61.1 Ų | 61.1 | 11% | 0.108 | 30% | 0.298 | C | S | . | . | trans | -122.6 | 93.7 | 178.3 | -53.7 | 0 | 0 | 0 | 0 | 108.9 | C39 | C39-C45 HydrophobicContact CB-CB 3.78Å; C39-C45 WeakPolarHBondContact CB-SG 2.94Å; C39-C45 WeakPolarHBondContact SG-CB 3.44Å; C39-C45 CovalentContact SG-SG 2.03Å; C39-C45 PolarHBondContact SG-SG 3.11Å | ||
| 46 | P | 93 | Very high | 95.1 | Very high | 22 Ų | 22 | 62.8 Ų | 62.8 | 14% | 0.143 | 31% | 0.307 | C | S | . | . | trans | -72.9 | 132.9 | -172.1 | 27.6 | -33.7 | 0 | 0 | 0 | 112.4 | N48 F49 P50 Y54 | P46-N48 VanDerWaalsContact C-N 3.31Å; P46-N48 WeakPolarHBondContact CB-OD1 3.23Å; P46-N48 PolarHBondContact O-N 3.41Å; P46-F49 HydrophobicContact CG-CB 4.18Å; P46-F49 CarbonylContact O-C 3.57Å; P46-F49 PolarHBondContact O-N 2.92Å; P46-P50 WeakPolarHBondContact O-CA 3.38Å; P46-Y54 HydrophobicContact CG-CD2 4.09Å; P46-Y54 HydrophobicContact CG-CE2 3.7Å | ||
| 47 | Q | 89.9 | Confident | 95.5 | Very high | 146 Ų | 146 | 64.5 Ų | 64.5 | 68% | 0.682 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -33 | -178.3 | -65.4 | -176.4 | -12.1 | 0 | 0 | 113.4 | I36 F49 | I36-Q47 HydrophobicContact CD1-CG 3.95Å; Q47-F49 PolarHBondContact O-N 2.8Å |
| 48 | N | 90.4 | Very high | 95.8 | Very high | 135 Ų | 135 | 62 Ų | 62 | 72% | 0.722 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -9.6 | 176.7 | 66.3 | -45.8 | 0 | 0 | 0 | 113.1 | P46 | P46-N48 VanDerWaalsContact C-N 3.31Å; P46-N48 WeakPolarHBondContact CB-OD1 3.23Å; P46-N48 PolarHBondContact O-N 3.41Å |
| 49 | F | 93 | Very high | 96 | Very high | 69 Ų | 69 | 61.7 Ų | 61.7 | 30% | 0.303 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -145 | 65.8 | 175.1 | -160.7 | -118.5 | 0 | 0 | 0 | 110.7 | P46 Q47 R51 A52 Y72 | P46-F49 HydrophobicContact CG-CB 4.18Å; P46-F49 CarbonylContact O-C 3.57Å; P46-F49 PolarHBondContact O-N 2.92Å; Q47-F49 PolarHBondContact O-N 2.8Å; F49-R51 PolarHBondContact O-N 2.94Å; F49-R51 VanDerWaalsContact O-N 3.14Å; F49-A52 HydrophobicContact CD1-CB 3.31Å; F49-A52 HydrophobicContact CE1-CB 3.64Å; F49-A52 HydrophobicContact CG-CB 4.42Å; F49-A52 PolarHBondContact O-N 2.02Å; F49-Y72 AromaticContact CE1-CD2 3.78Å; F49-Y72 HydrophobicContact CE1-CD2 3.78Å; F49-Y72 HydrophobicContact CE1-CE2 4.14Å; F49-Y72 HydrophobicContact CE1-CG 4.42Å; F49-Y72 AromaticContact CZ-CD2 3.85Å; F49-Y72 HydrophobicContact CZ-CD2 3.85Å; F49-Y72 AromaticContact CZ-CE2 3.71Å; F49-Y72 HydrophobicContact CZ-CE2 3.71Å |
| 50 | P | 92.6 | Very high | 96.1 | Very high | 20 Ų | 20 | 61 Ų | 61 | 13% | 0.13 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -20.3 | -161 | 28.4 | -36.6 | 0 | 0 | 0 | 113.8 | M27 L32 Q35 P46 A52 | M27-P50 HydrophobicContact CB-CG 4.28Å; M27-P50 HydrophobicContact CE-CB 4.02Å; M27-P50 HydrophobicContact CE-CG 4.01Å; M27-P50 HydrophobicContact SD-CB 3.78Å; M27-P50 HydrophobicContact SD-CG 3.85Å; L32-P50 HydrophobicContact CD1-CB 3.32Å; L32-P50 HydrophobicContact CD1-CG 3.81Å; Q35-P50 WeakPolarHBondContact CG-O 3.34Å; Q35-P50 PolarHBondContact NE2-O 2.96Å; Q35-P50 VanDerWaalsContact NE2-O 3.14Å; P46-P50 WeakPolarHBondContact O-CA 3.38Å; P50-A52 PolarHBondContact O-N 3.41Å |
| 51 | R | 95.7 | Very high | 96.1 | Very high | 30 Ų | 30 | 67.6 Ų | 67.6 | 11% | 0.113 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -1.9 | 175.8 | -63.5 | -161.2 | 175.5 | 86.3 | 3.5 | 114.1 | Q25 M27 F49 W71 Y72 | Q25-R51 PolarHBondContact O-NH1 2.95Å; M27-R51 HydrophobicContact CE-CB 4.4Å; M27-R51 HydrophobicContact CE-CG 3.31Å; F49-R51 PolarHBondContact O-N 2.94Å; F49-R51 VanDerWaalsContact O-N 3.14Å; R51-W71 HydrophobicContact CB-CB 4.02Å; R51-W71 HydrophobicContact CB-CD2 4.5Å; R51-W71 HydrophobicContact CB-CG 4.06Å; R51-W71 VanDerWaalsContact CD-CG 3.48Å; R51-W71 HydrophobicContact CG-CD2 4.41Å; R51-W71 HydrophobicContact CG-CG 4.29Å; R51-W71 PolarHBondContact O-N 3.3Å; R51-Y72 HydrophobicContact CB-CD2 4.45Å; R51-Y72 PolarHBondContact O-N 2.92Å; R51-Y72 VanDerWaalsContact O-N 3.07Å |
| 52 | A | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 141.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | F49 P50 Y54 Y72 Y74 | F49-A52 HydrophobicContact CD1-CB 3.31Å; F49-A52 HydrophobicContact CE1-CB 3.64Å; F49-A52 HydrophobicContact CG-CB 4.42Å; F49-A52 PolarHBondContact O-N 2.02Å; P50-A52 PolarHBondContact O-N 3.41Å; A52-Y54 HydrophobicContact CB-CD2 4.25Å; A52-Y54 HydrophobicContact CB-CE2 3.51Å; A52-Y72 WeakPolarHBondContact CA-O 3.38Å; A52-Y74 HydrophobicContact CB-CE2 4.25Å |
| 53 | V | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 116.6 | 174.7 | 178.7 | 0 | 0 | 0 | 0 | 108.2 | C43 P67 T70 Y72 L73 Y74 | C43-V53 HydrophobicContact CB-CG1 4.15Å; V53-P67 HydrophobicContact CG2-CG 4.17Å; V53-T70 HydrophobicContact CB-CG2 4.01Å; V53-T70 HydrophobicContact CG2-CG2 3.6Å; V53-T70 WeakPolarHBondContact CG2-OG1 3.32Å; V53-Y72 PolarHBondContact N-O 2.98Å; V53-L73 HydrophobicContact CB-CD1 4.06Å; V53-L73 HydrophobicContact CG1-CD1 4.1Å; V53-Y74 PolarHBondContact O-N 3.02Å |
| 54 | Y | 98.6 | Very high | 96 | Very high | 71 Ų | 71 | 55.5 Ų | 55.5 | 28% | 0.278 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 106.7 | -177.7 | -63 | -91.7 | 0 | 0 | 0 | 110.3 | C43 N44 P46 A52 Y74 | C43-Y54 CarbonylContact C-O 3.44Å; C43-Y54 VanDerWaalsContact CA-O 3.27Å; C43-Y54 WeakPolarHBondContact CA-O 3.17Å; C43-Y54 WeakPolarHBondContact CB-O 3.3Å; N44-Y54 PolarHBondContact N-O 3.02Å; N44-Y54 PolarHBondContact O-N 3.19Å; P46-Y54 HydrophobicContact CG-CD2 4.09Å; P46-Y54 HydrophobicContact CG-CE2 3.7Å; A52-Y54 HydrophobicContact CB-CD2 4.25Å; A52-Y54 HydrophobicContact CB-CE2 3.51Å; Y54-Y74 AromaticContact CD1-CD2 3.53Å; Y54-Y74 HydrophobicContact CD1-CD2 3.53Å; Y54-Y74 HydrophobicContact CD1-CE2 4.08Å; Y54-Y74 AromaticContact CD1-CG 3.86Å; Y54-Y74 HydrophobicContact CD1-CG 3.86Å; Y54-Y74 HydrophobicContact CE1-CD1 4.5Å; Y54-Y74 AromaticContact CE1-CD2 3.48Å; Y54-Y74 HydrophobicContact CE1-CD2 3.48Å; Y54-Y74 VanDerWaalsContact CE1-CD2 3.48Å; Y54-Y74 AromaticContact CE1-CE2 3.51Å; Y54-Y74 HydrophobicContact CE1-CE2 3.51Å; Y54-Y74 HydrophobicContact CE1-CG 4Å; Y54-Y74 HydrophobicContact CE2-CE2 4.47Å; Y54-Y74 HydrophobicContact CG-CD2 4.13Å; Y54-Y74 AromaticContact CZ-CE2 3.75Å |
| 55 | C | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.302 | C | S | . | . | trans | -120.2 | 13.5 | 179.6 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | C43 L60 Y74 L75 N78 | C43-C55 HydrophobicContact CB-CB 4.11Å; C43-C55 WeakPolarHBondContact CB-SG 3.05Å; C43-C55 WeakPolarHBondContact SG-CB 3.06Å; C43-C55 CovalentContact SG-SG 2.02Å; C43-C55 PolarHBondContact SG-SG 2.84Å; C55-L60 HydrophobicContact CB-CD1 3.79Å; C55-Y74 CarbonylContact C-O 3.06Å; C55-Y74 VanDerWaalsContact CA-O 3.3Å; C55-Y74 WeakPolarHBondContact CA-O 3.37Å; C55-Y74 WeakPolarHBondContact CB-O 3.4Å; C55-Y74 PolarHBondContact N-O 3.42Å; C55-L75 HydrophobicContact CB-CD2 3.45Å; C55-L75 VanDerWaalsContact CB-CD2 3.45Å; C55-L75 HydrophobicContact CB-CG 4.27Å; C55-N78 PolarHBondContact O-ND2 3.39Å | ||
| 56 | D | 98.7 | Very high | 95.8 | Very high | 37 Ų | 37 | 59.5 Ų | 59.5 | 20% | 0.198 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 149.6 | -175.9 | 59.3 | -74.1 | 0 | 0 | 0 | 113.1 | K58 Y74 Q76 | D56-K58 VanDerWaalsContact C-N 3.32Å; D56-K58 WeakPolarHBondContact O-CG 3.33Å; D56-K58 PolarHBondContact O-N 2.6Å; D56-Y74 PolarHBondContact N-O 3.34Å; D56-Q76 VanDerWaalsContact CA-O 3.23Å; D56-Q76 WeakPolarHBondContact CA-O 3.41Å; D56-Q76 VanDerWaalsContact CB-CD 3.41Å; D56-Q76 HydrophobicContact CB-CG 3.87Å; D56-Q76 VanDerWaalsContact CB-NE2 3.27Å; D56-Q76 WeakPolarHBondContact CB-O 3.34Å |
| 57 | N | 98.5 | Very high | 95.9 | Very high | 96 Ų | 96 | 58.5 Ų | 58.5 | 51% | 0.513 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 34.6 | 177.8 | -50.8 | -78.6 | 0 | 0 | 0 | 114.5 | Q76 N77 | N57-Q76 PolarHBondContact N-O 3.02Å; N57-Q76 VanDerWaalsContact N-O 3.11Å; N57-N77 WeakPolarHBondContact CA-O 3.41Å; N57-N77 WeakPolarHBondContact OD1-CB 3.28Å; N57-N77 PolarHBondContact OD1-ND2 2.71Å |
| 58 | K | 98.1 | Very high | 96 | Very high | 121 Ų | 121 | 53.9 Ų | 53.9 | 53% | 0.526 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -108.9 | -2.4 | -177.2 | -60.9 | -61.7 | -176.1 | 175.5 | 0 | 113.9 | E42 D56 L60 N78 | E42-K58 WeakPolarHBondContact O-CD 3.1Å; E42-K58 VanDerWaalsContact O-CE 3.32Å; E42-K58 WeakPolarHBondContact O-CE 3.11Å; E42-K58 WeakPolarHBondContact O-CG 3.24Å; D56-K58 VanDerWaalsContact C-N 3.32Å; D56-K58 WeakPolarHBondContact O-CG 3.33Å; D56-K58 PolarHBondContact O-N 2.6Å; K58-L60 VanDerWaalsContact C-N 3.27Å; K58-L60 HydrophobicContact CB-CD1 4.41Å; K58-L60 HydrophobicContact CB-CD2 3.82Å; K58-L60 HydrophobicContact CB-CG 3.81Å; K58-L60 PolarHBondContact O-N 3.05Å; K58-N78 WeakPolarHBondContact CA-OD1 3.37Å; K58-N78 PolarHBondContact N-OD1 3.28Å |
| 59 | G | 98.2 | Very high | 96.1 | Very high | 40 Ų | 40 | 51.3 Ų | 51.3 | 41% | 0.412 | 26% | 0.256 | S | S | . | . | trans | 68 | 25.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | N78 | G59-N78 PolarHBondContact N-OD1 3.28Š| ||
| 60 | L | 98.2 | Very high | 96.3 | Very high | 18 Ų | 18 | 48 Ų | 48 | 9% | 0.094 | 24% | 0.241 | C | C | . | . | trans | -63.4 | 137 | -178.3 | -55 | -179.1 | 0 | 0 | 0 | 110.8 | E42 C55 K58 P64 L75 N78 L79 I80 | E42-L60 HydrophobicContact CB-CD2 3.92Å; E42-L60 HydrophobicContact CG-CD1 4.48Å; E42-L60 HydrophobicContact CG-CD2 3.79Å; C55-L60 HydrophobicContact CB-CD1 3.79Å; K58-L60 VanDerWaalsContact C-N 3.27Å; K58-L60 HydrophobicContact CB-CD1 4.41Å; K58-L60 HydrophobicContact CB-CD2 3.82Å; K58-L60 HydrophobicContact CB-CG 3.81Å; K58-L60 PolarHBondContact O-N 3.05Å; L60-P64 HydrophobicContact CD1-CG 4.34Å; L60-L75 HydrophobicContact CD1-CD2 4.05Å; L60-N78 HydrophobicContact CB-CB 4.16Å; L60-N78 PolarHBondContact N-OD1 2.81Å; L60-L79 CarbonylContact O-C 3.51Å; L60-L79 VanDerWaalsContact O-CA 3.24Å; L60-L79 WeakPolarHBondContact O-CA 3.43Å; L60-L79 PolarHBondContact O-N 2.9Å; L60-I80 HydrophobicContact CB-CG1 4.23Å; L60-I80 PolarHBondContact O-N 3.42Å; L60-I80 VanDerWaalsContact O-N 3.12Å | ||
| 61 | K | 96.8 | Very high | 96.5 | Very high | 154 Ų | 154 | 48.3 Ų | 48.3 | 67% | 0.67 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -97 | -15.4 | 175.6 | -62.5 | -174.8 | -179.8 | -177.1 | 0 | 113.3 | L79 | K61-L79 HydrophobicContact CG-CB 4.43Š|
| 62 | S | 96.1 | Very high | 96.6 | Very high | 70 Ų | 70 | 49.8 Ų | 49.8 | 49% | 0.49 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -144.4 | 156.7 | -179.8 | 55.7 | 0 | 0 | 0 | 0 | 109.8 | ||
| 63 | I | 96.6 | Very high | 96.7 | Very high | 16 Ų | 16 | 49.8 Ų | 49.8 | 8% | 0.082 | 25% | 0.246 | C | C | . | . | trans | -68.4 | 124.3 | 171.4 | -60.2 | 179.7 | 0 | 0 | 0 | 108.2 | I66 L75 I80 M83 A87 L88 L99 | I63-I66 HydrophobicContact CG2-CD1 4.13Å; I63-I66 HydrophobicContact CG2-CG1 4.05Å; I63-L75 HydrophobicContact CD1-CD1 4.38Å; I63-L75 HydrophobicContact CG1-CD1 4.12Å; I63-L75 HydrophobicContact CG2-CD1 4.1Å; I63-I80 HydrophobicContact CG1-CD1 4.19Å; I63-I80 HydrophobicContact CG1-CG2 4.05Å; I63-M83 HydrophobicContact CD1-CB 4.5Å; I63-M83 HydrophobicContact CD1-CE 4.27Å; I63-M83 HydrophobicContact CD1-CG 3.89Å; I63-A87 HydrophobicContact CB-CB 4.11Å; I63-A87 HydrophobicContact CD1-CB 4.25Å; I63-A87 HydrophobicContact CG2-CB 4.27Å; I63-L88 HydrophobicContact CG2-CD2 3.99Å; I63-L99 HydrophobicContact CD1-CD2 4.24Å | ||
| 64 | P | 95.4 | Very high | 96.7 | Very high | 11 Ų | 11 | 52 Ų | 52 | 7% | 0.071 | 25% | 0.254 | C | S | . | . | trans | -73.8 | 169.9 | 176.7 | 30.8 | -33.3 | 0 | 0 | 0 | 111.1 | P40 E42 L60 I66 | P40-P64 HydrophobicContact CB-CB 3.86Å; P40-P64 HydrophobicContact CB-CG 4.18Å; P40-P64 HydrophobicContact CG-CB 3.94Å; P40-P64 HydrophobicContact CG-CG 4.04Å; E42-P64 HydrophobicContact CG-CB 4.38Å; E42-P64 HydrophobicContact CG-CG 4.48Å; E42-P64 WeakPolarHBondContact OE1-CB 3.27Å; L60-P64 HydrophobicContact CD1-CG 4.34Å; P64-I66 HydrophobicContact CG-CD1 4.02Å; P64-I66 WeakPolarHBondContact O-CD1 3.21Å; P64-I66 WeakPolarHBondContact O-CG1 3.36Å; P64-I66 PolarHBondContact O-N 3.34Å | ||
| 65 | K | 93.9 | Very high | 96.7 | Very high | 187 Ų | 187 | 48.6 Ų | 48.6 | 81% | 0.813 | 24% | 0.241 | S | C | * | . | trans | -64.9 | 108.7 | 177.1 | -70.2 | -173.5 | 177.5 | -176.2 | 0 | 110.6 | P40 | P40-K65 WeakPolarHBondContact CG-O 3.02Š| ||
| 66 | I | 95.3 | Very high | 96.7 | Very high | 7 Ų | 7 | 50 Ų | 50 | 4% | 0.036 | 25% | 0.248 | C | C | . | . | trans | -81.5 | 132.9 | -175 | -52.8 | -52.7 | 0 | 0 | 0 | 110.9 | I63 P64 T70 L73 L88 A91 | I63-I66 HydrophobicContact CG2-CD1 4.13Å; I63-I66 HydrophobicContact CG2-CG1 4.05Å; P64-I66 HydrophobicContact CG-CD1 4.02Å; P64-I66 WeakPolarHBondContact O-CD1 3.21Å; P64-I66 WeakPolarHBondContact O-CG1 3.36Å; P64-I66 PolarHBondContact O-N 3.34Å; I66-T70 HydrophobicContact CG2-CG2 4Å; I66-L73 HydrophobicContact CD1-CD1 3.66Å; I66-L73 HydrophobicContact CD1-CD2 4.06Å; I66-L73 HydrophobicContact CG1-CD1 4.31Å; I66-L73 HydrophobicContact CG1-CD2 3.89Å; I66-L73 HydrophobicContact CG2-CD1 4.35Å; I66-L73 HydrophobicContact CG2-CD2 4.35Å; I66-L88 HydrophobicContact CG1-CD2 3.85Å; I66-A91 HydrophobicContact CB-CB 3.92Å; I66-A91 HydrophobicContact CG2-CB 3.63Å | ||
| 67 | P | 94.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | trans | -56.5 | 144.7 | 173.7 | -26.6 | 34.1 | 0 | 0 | 0 | 113.2 | Q35 A38 V53 Y69 T70 | Q35-P67 VanDerWaalsContact CD-CB 3.43Å; Q35-P67 HydrophobicContact CG-CB 4.46Å; A38-P67 HydrophobicContact CB-CB 4.06Å; A38-P67 HydrophobicContact CB-CG 4.15Å; V53-P67 HydrophobicContact CG2-CG 4.17Å; P67-Y69 PolarHBondContact O-N 3.06Å; P67-T70 WeakPolarHBondContact O-CB 3.34Å; P67-T70 PolarHBondContact O-N 3.14Å; P67-T70 PolarHBondContact O-OG1 3.43Å | ||
| 68 | P | 91.3 | Very high | 96.8 | Very high | 49 Ų | 49 | 46.8 Ų | 46.8 | 32% | 0.318 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -27 | -167.9 | 25.5 | -34.2 | 0 | 0 | 0 | 115.2 | T70 N90 | P68-T70 VanDerWaalsContact C-N 3.32Å; P68-N90 WeakPolarHBondContact CA-O 3.35Å |
| 69 | Y | 94.1 | Very high | 96.8 | Very high | 80 Ų | 80 | 44.9 Ų | 44.9 | 31% | 0.314 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 12.2 | -178.1 | -55.4 | -76.7 | 0 | 0 | 0 | 113.2 | E31 A34 P67 W71 | E31-Y69 HydrophobicContact CB-CD1 4.25Å; E31-Y69 HydrophobicContact CB-CD2 3.95Å; E31-Y69 HydrophobicContact CB-CE1 4.25Å; E31-Y69 HydrophobicContact CB-CE2 3.97Å; E31-Y69 HydrophobicContact CB-CG 4.11Å; E31-Y69 VanDerWaalsContact CD-CE1 3.43Å; E31-Y69 HydrophobicContact CG-CD1 3.99Å; E31-Y69 HydrophobicContact CG-CD2 4.32Å; E31-Y69 HydrophobicContact CG-CE1 3.6Å; E31-Y69 HydrophobicContact CG-CE2 3.97Å; E31-Y69 HydrophobicContact CG-CG 4.34Å; A34-Y69 HydrophobicContact CB-CE2 4.13Å; P67-Y69 PolarHBondContact O-N 3.06Å; Y69-W71 PolarHBondContact O-N 2.95Å |
| 70 | T | 95.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -67.8 | 128.8 | 178.1 | -54.1 | 0 | 0 | 0 | 0 | 111 | Q35 V53 I66 P67 P68 L73 Q93 L94 | Q35-T70 PolarHBondContact NE2-OG1 2.9Å; V53-T70 HydrophobicContact CB-CG2 4.01Å; V53-T70 HydrophobicContact CG2-CG2 3.6Å; V53-T70 WeakPolarHBondContact CG2-OG1 3.32Å; I66-T70 HydrophobicContact CG2-CG2 4Å; P67-T70 WeakPolarHBondContact O-CB 3.34Å; P67-T70 PolarHBondContact O-N 3.14Å; P67-T70 PolarHBondContact O-OG1 3.43Å; P68-T70 VanDerWaalsContact C-N 3.32Å; T70-L73 HydrophobicContact CG2-CB 4.34Å; T70-Q93 CarbonylContact O-C 3.37Å; T70-L94 HydrophobicContact CG2-CD2 3.81Å; T70-L94 PolarHBondContact O-N 2.81Å | ||
| 71 | W | 97.3 | Very high | 96.7 | Very high | 26 Ų | 26 | 46.3 Ų | 46.3 | 10% | 0.098 | 22% | 0.221 | C | C | . | . | trans | -106.8 | -34.6 | 172.3 | -69.5 | 12.7 | 0 | 0 | 0 | 112.3 | R51 Y69 Q93 R95 W96 | R51-W71 HydrophobicContact CB-CB 4.02Å; R51-W71 HydrophobicContact CB-CD2 4.5Å; R51-W71 HydrophobicContact CB-CG 4.06Å; R51-W71 VanDerWaalsContact CD-CG 3.48Å; R51-W71 HydrophobicContact CG-CD2 4.41Å; R51-W71 HydrophobicContact CG-CG 4.29Å; R51-W71 PolarHBondContact O-N 3.3Å; Y69-W71 PolarHBondContact O-N 2.95Å; W71-Q93 VanDerWaalsContact CD1-O 3.24Å; W71-R95 HydrophobicContact CB-CG 4.44Å; W71-R95 HydrophobicContact CD2-CG 4.5Å; W71-R95 VanDerWaalsContact CE3-CD 3.47Å; W71-R95 VanDerWaalsContact CE3-NE 3.27Å; W71-R95 HydrophobicContact CG-CG 4.47Å; W71-R95 VanDerWaalsContact CZ3-NE 3.26Å; W71-R95 PolarHBondContact O-N 3.33Å; W71-W96 PolarHBondContact O-N 3.16Å | ||
| 72 | Y | 98.4 | Very high | 96.6 | Very high | 61 Ų | 61 | 41.4 Ų | 41.4 | 24% | 0.239 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 113.5 | -175.9 | -51.6 | -84 | 0 | 0 | 0 | 109.5 | F49 R51 A52 V53 W96 | F49-Y72 AromaticContact CE1-CD2 3.78Å; F49-Y72 HydrophobicContact CE1-CD2 3.78Å; F49-Y72 HydrophobicContact CE1-CE2 4.14Å; F49-Y72 HydrophobicContact CE1-CG 4.42Å; F49-Y72 AromaticContact CZ-CD2 3.85Å; F49-Y72 HydrophobicContact CZ-CD2 3.85Å; F49-Y72 AromaticContact CZ-CE2 3.71Å; F49-Y72 HydrophobicContact CZ-CE2 3.71Å; R51-Y72 HydrophobicContact CB-CD2 4.45Å; R51-Y72 PolarHBondContact O-N 2.92Å; R51-Y72 VanDerWaalsContact O-N 3.07Å; A52-Y72 WeakPolarHBondContact CA-O 3.38Å; V53-Y72 PolarHBondContact N-O 2.98Å; Y72-W96 HydrophobicContact CD1-CB 3.67Å; Y72-W96 HydrophobicContact CD1-CG 4.24Å; Y72-W96 HydrophobicContact CE1-CB 4.31Å |
| 73 | L | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 119.4 | -178.8 | 179.6 | 59.1 | 0 | 0 | 0 | 110.5 | V53 I66 T70 L75 L88 L94 W96 N98 | V53-L73 HydrophobicContact CB-CD1 4.06Å; V53-L73 HydrophobicContact CG1-CD1 4.1Å; I66-L73 HydrophobicContact CD1-CD1 3.66Å; I66-L73 HydrophobicContact CD1-CD2 4.06Å; I66-L73 HydrophobicContact CG1-CD1 4.31Å; I66-L73 HydrophobicContact CG1-CD2 3.89Å; I66-L73 HydrophobicContact CG2-CD1 4.35Å; I66-L73 HydrophobicContact CG2-CD2 4.35Å; T70-L73 HydrophobicContact CG2-CB 4.34Å; L73-L75 HydrophobicContact CD1-CD1 4.09Å; L73-L75 HydrophobicContact CD1-CG 4.05Å; L73-L75 HydrophobicContact CD2-CD1 3.61Å; L73-L75 HydrophobicContact CD2-CG 4.44Å; L73-L75 HydrophobicContact CG-CD1 3.7Å; L73-L75 HydrophobicContact CG-CG 3.99Å; L73-L88 HydrophobicContact CD2-CD2 3.73Å; L73-L94 HydrophobicContact CB-CD2 3.72Å; L73-L94 HydrophobicContact CD2-CD1 4.38Å; L73-L94 HydrophobicContact CD2-CD2 4.41Å; L73-W96 PolarHBondContact N-O 2.92Å; L73-N98 PolarHBondContact O-N 3.32Å |
| 74 | Y | 98.8 | Very high | 96.3 | Very high | 47 Ų | 47 | 39.9 Ų | 39.9 | 18% | 0.184 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 109.5 | 179.9 | -58.3 | -89.5 | 0 | 0 | 0 | 109.6 | A52 V53 Y54 C55 D56 N98 | A52-Y74 HydrophobicContact CB-CE2 4.25Å; V53-Y74 PolarHBondContact O-N 3.02Å; Y54-Y74 AromaticContact CD1-CD2 3.53Å; Y54-Y74 HydrophobicContact CD1-CD2 3.53Å; Y54-Y74 HydrophobicContact CD1-CE2 4.08Å; Y54-Y74 AromaticContact CD1-CG 3.86Å; Y54-Y74 HydrophobicContact CD1-CG 3.86Å; Y54-Y74 HydrophobicContact CE1-CD1 4.5Å; Y54-Y74 AromaticContact CE1-CD2 3.48Å; Y54-Y74 HydrophobicContact CE1-CD2 3.48Å; Y54-Y74 VanDerWaalsContact CE1-CD2 3.48Å; Y54-Y74 AromaticContact CE1-CE2 3.51Å; Y54-Y74 HydrophobicContact CE1-CE2 3.51Å; Y54-Y74 HydrophobicContact CE1-CG 4Å; Y54-Y74 HydrophobicContact CE2-CE2 4.47Å; Y54-Y74 HydrophobicContact CG-CD2 4.13Å; Y54-Y74 AromaticContact CZ-CE2 3.75Å; C55-Y74 CarbonylContact C-O 3.06Å; C55-Y74 VanDerWaalsContact CA-O 3.3Å; C55-Y74 WeakPolarHBondContact CA-O 3.37Å; C55-Y74 WeakPolarHBondContact CB-O 3.4Å; C55-Y74 PolarHBondContact N-O 3.42Å; D56-Y74 PolarHBondContact N-O 3.34Å; Y74-N98 HydrophobicContact CD1-CB 4.5Å |
| 75 | L | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -125 | 12.3 | -178.7 | -75.2 | 163.3 | 0 | 0 | 0 | 111.8 | C55 L60 I63 L73 N78 I80 N98 L99 N102 | C55-L75 HydrophobicContact CB-CD2 3.45Å; C55-L75 VanDerWaalsContact CB-CD2 3.45Å; C55-L75 HydrophobicContact CB-CG 4.27Å; L60-L75 HydrophobicContact CD1-CD2 4.05Å; I63-L75 HydrophobicContact CD1-CD1 4.38Å; I63-L75 HydrophobicContact CG1-CD1 4.12Å; I63-L75 HydrophobicContact CG2-CD1 4.1Å; L73-L75 HydrophobicContact CD1-CD1 4.09Å; L73-L75 HydrophobicContact CD1-CG 4.05Å; L73-L75 HydrophobicContact CD2-CD1 3.61Å; L73-L75 HydrophobicContact CD2-CG 4.44Å; L73-L75 HydrophobicContact CG-CD1 3.7Å; L73-L75 HydrophobicContact CG-CG 3.99Å; L75-N78 PolarHBondContact O-ND2 3.09Å; L75-I80 HydrophobicContact CB-CD1 4.06Å; L75-I80 HydrophobicContact CD2-CD1 3.89Å; L75-I80 HydrophobicContact CG-CD1 4.39Å; L75-N98 CarbonylContact C-O 3.46Å; L75-N98 WeakPolarHBondContact CA-O 3.31Å; L75-N98 WeakPolarHBondContact CB-O 3.33Å; L75-N98 PolarHBondContact N-O 3.34Å; L75-L99 HydrophobicContact CB-CD2 3.75Å; L75-L99 HydrophobicContact CD1-CD2 3.7Å; L75-L99 HydrophobicContact CG-CD2 4.39Å; L75-N102 PolarHBondContact O-ND2 3.14Å | ||
| 76 | Q | 98.8 | Very high | 95.5 | Very high | 30 Ų | 30 | 41 Ų | 41 | 14% | 0.14 | 21% | 0.207 | C | C | . | . | trans | -65.8 | 157.7 | -176.6 | 68.7 | -80.9 | -0.2 | 0 | 0 | 113.4 | D56 N57 N78 N98 N100 | D56-Q76 VanDerWaalsContact CA-O 3.23Å; D56-Q76 WeakPolarHBondContact CA-O 3.41Å; D56-Q76 VanDerWaalsContact CB-CD 3.41Å; D56-Q76 HydrophobicContact CB-CG 3.87Å; D56-Q76 VanDerWaalsContact CB-NE2 3.27Å; D56-Q76 WeakPolarHBondContact CB-O 3.34Å; N57-Q76 PolarHBondContact N-O 3.02Å; N57-Q76 VanDerWaalsContact N-O 3.11Å; Q76-N78 PolarHBondContact O-ND2 3.39Å; Q76-N98 PolarHBondContact N-O 3.31Å; Q76-N98 PolarHBondContact OE1-ND2 3.1Å; Q76-N100 CarbonylContact C-O 3.48Å; Q76-N100 WeakPolarHBondContact CA-O 3.32Å; Q76-N100 HydrophobicContact CB-CB 4.15Å; Q76-N100 WeakPolarHBondContact CB-O 3.21Å | ||
| 77 | N | 98.8 | Very high | 95.1 | Very high | 58 Ų | 58 | 41.4 Ų | 41.4 | 31% | 0.31 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 56.9 | 49.8 | 178.4 | -54.6 | -39 | 0 | 0 | 0 | 112.7 | N57 N100 R101 | N57-N77 WeakPolarHBondContact CA-O 3.41Å; N57-N77 WeakPolarHBondContact OD1-CB 3.28Å; N57-N77 PolarHBondContact OD1-ND2 2.71Å; N77-N100 PolarHBondContact N-O 2.84Å; N77-R101 WeakPolarHBondContact CA-O 3.25Å; N77-R101 PolarHBondContact N-O 3.42Å; N77-R101 WeakPolarHBondContact OD1-CB 3.47Å; N77-R101 WeakPolarHBondContact OD1-CD 3.46Å |
| 78 | N | 98.8 | Very high | 94.9 | Very high | 6 Ų | 6 | 41.8 Ų | 41.8 | 3% | 0.032 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -123.6 | -169.2 | 174.7 | -78.3 | -59.6 | 0 | 0 | 0 | 110 | C55 K58 G59 L60 L75 Q76 I80 R101 N102 | C55-N78 PolarHBondContact O-ND2 3.39Å; K58-N78 WeakPolarHBondContact CA-OD1 3.37Å; K58-N78 PolarHBondContact N-OD1 3.28Å; G59-N78 PolarHBondContact N-OD1 3.28Å; L60-N78 HydrophobicContact CB-CB 4.16Å; L60-N78 PolarHBondContact N-OD1 2.81Å; L75-N78 PolarHBondContact O-ND2 3.09Å; Q76-N78 PolarHBondContact O-ND2 3.39Å; N78-I80 HydrophobicContact CB-CD1 4.18Å; N78-I80 HydrophobicContact CB-CG1 4.05Å; N78-R101 PolarHBondContact N-O 3.22Å; N78-N102 WeakPolarHBondContact CA-OD1 3.47Å; N78-N102 WeakPolarHBondContact CB-OD1 3.42Å; N78-N102 PolarHBondContact O-OD1 3.15Å |
| 79 | L | 98.6 | Very high | 94.5 | Very high | 82 Ų | 82 | 46 Ų | 46 | 43% | 0.429 | 23% | 0.229 | S | C | . | . | trans | -115.8 | 29.8 | 179.4 | -58.1 | 175.9 | 0 | 0 | 0 | 110.7 | L60 K61 E81 N102 | L60-L79 CarbonylContact O-C 3.51Å; L60-L79 VanDerWaalsContact O-CA 3.24Å; L60-L79 WeakPolarHBondContact O-CA 3.43Å; L60-L79 PolarHBondContact O-N 2.9Å; K61-L79 HydrophobicContact CG-CB 4.43Å; L79-E81 PolarHBondContact O-N 3.33Å; L79-N102 PolarHBondContact N-OD1 2.72Å | ||
| 80 | I | 98.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -69.6 | 126.2 | -175.4 | -60.5 | 167.7 | 0 | 0 | 0 | 108.9 | L60 I63 L75 N78 T82 L99 N102 K103 I104 | L60-I80 HydrophobicContact CB-CG1 4.23Å; L60-I80 PolarHBondContact O-N 3.42Å; L60-I80 VanDerWaalsContact O-N 3.12Å; I63-I80 HydrophobicContact CG1-CD1 4.19Å; I63-I80 HydrophobicContact CG1-CG2 4.05Å; L75-I80 HydrophobicContact CB-CD1 4.06Å; L75-I80 HydrophobicContact CD2-CD1 3.89Å; L75-I80 HydrophobicContact CG-CD1 4.39Å; N78-I80 HydrophobicContact CB-CD1 4.18Å; N78-I80 HydrophobicContact CB-CG1 4.05Å; I80-T82 WeakPolarHBondContact CG2-O 3.46Å; I80-L99 HydrophobicContact CD1-CD2 4.31Å; I80-N102 HydrophobicContact CB-CB 4.27Å; I80-N102 VanDerWaalsContact CB-OD1 3.28Å; I80-N102 WeakPolarHBondContact CB-OD1 3.08Å; I80-N102 WeakPolarHBondContact CG1-OD1 3.43Å; I80-N102 PolarHBondContact N-OD1 3.39Å; I80-K103 CarbonylContact O-C 3.44Å; I80-K103 WeakPolarHBondContact O-CA 3.22Å; I80-K103 PolarHBondContact O-N 2.94Å; I80-I104 HydrophobicContact CG2-CD1 4.42Å; I80-I104 HydrophobicContact CG2-CG1 4.22Å; I80-I104 WeakPolarHBondContact O-CG1 3.36Å; I80-I104 PolarHBondContact O-N 2.81Å | ||
| 81 | E | 96.7 | Very high | 93.9 | Very high | 88 Ų | 88 | 47.3 Ų | 47.3 | 41% | 0.411 | 24% | 0.242 | S | C | . | . | trans | -106.6 | -24.6 | 180 | -67.5 | -179.1 | -158.1 | 0 | 0 | 113.2 | L79 K103 K108 | L79-E81 PolarHBondContact O-N 3.33Å; E81-K103 HydrophobicContact CG-CB 3.9Å; E81-K108 HydrophobicContact CB-CD 4.21Å; E81-K108 VanDerWaalsContact O-CB 3.25Å; E81-K108 WeakPolarHBondContact O-CB 3.38Å; E81-K108 VanDerWaalsContact O-CD 3.31Å; E81-K108 WeakPolarHBondContact O-CD 3.44Å; E81-K108 IonicContact OE2-NZ 2.74Å; E81-K108 PolarHBondContact OE2-NZ 2.98Å | ||
| 82 | T | 95.1 | Very high | 93.6 | Very high | 50 Ų | 50 | 50.1 Ų | 50.1 | 31% | 0.307 | 26% | 0.262 | S | S | . | . | trans | -127.8 | 148.7 | -170.6 | 61 | 0 | 0 | 0 | 0 | 112.2 | I80 K108 | I80-T82 WeakPolarHBondContact CG2-O 3.46Å; T82-K108 HydrophobicContact CG2-CB 3.89Å; T82-K108 HydrophobicContact CG2-CD 3.65Å; T82-K108 HydrophobicContact CG2-CG 3.93Å | ||
| 83 | M | 94.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -127.2 | 75.4 | 168.1 | -64.9 | -174.4 | 65.1 | 0 | 0 | 108.6 | I63 L88 L99 I104 K108 G110 L114 M125 | I63-M83 HydrophobicContact CD1-CB 4.5Å; I63-M83 HydrophobicContact CD1-CE 4.27Å; I63-M83 HydrophobicContact CD1-CG 3.89Å; M83-L88 HydrophobicContact CE-CD1 3.99Å; M83-L99 HydrophobicContact CE-CD1 3.58Å; M83-L99 HydrophobicContact SD-CD1 3.6Å; M83-L99 VanDerWaalsContact SD-CD1 3.6Å; M83-I104 HydrophobicContact CG-CD1 4.06Å; M83-I104 HydrophobicContact CG-CG2 4.37Å; M83-I104 HydrophobicContact SD-CD1 3.94Å; M83-I104 HydrophobicContact SD-CG2 4.47Å; M83-K108 PolarHBondContact N-O 2.99Å; M83-G110 WeakPolarHBondContact O-CA 3.12Å; M83-G110 PolarHBondContact O-N 2.97Å; M83-L114 HydrophobicContact CE-CD2 3.98Å; M83-M125 HydrophobicContact SD-CE 3.58Å; M83-M125 VanDerWaalsContact SD-CE 3.58Å |
| 84 | P | 91.3 | Very high | 93.3 | Very high | 54 Ų | 54 | 50.2 Ų | 50.2 | 35% | 0.351 | 26% | 0.264 | S | S | . | . | trans | -66.2 | 159.1 | 179.7 | 30.2 | -35.6 | 0 | 0 | 0 | 111.2 | D86 A87 V113 | P84-D86 WeakPolarHBondContact CB-OD1 3.38Å; P84-D86 WeakPolarHBondContact CG-OD1 3.32Å; P84-D86 PolarHBondContact O-N 3.32Å; P84-D86 VanDerWaalsContact O-N 3.15Å; P84-A87 HydrophobicContact CG-CB 3.94Å; P84-A87 WeakPolarHBondContact O-CB 3.11Å; P84-A87 PolarHBondContact O-N 2.74Å; P84-V113 WeakPolarHBondContact O-CG2 3.2Å | ||
| 85 | L | 86.1 | Confident | 93.3 | Very high | 112 Ų | 112 | 52.2 Ų | 52.2 | 59% | 0.586 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -35.1 | -174.1 | -179.6 | 60 | 0 | 0 | 0 | 113.3 | E111 | L85-E111 WeakPolarHBondContact CD1-O 3.34Š|
| 86 | D | 86.2 | Confident | 93.3 | Very high | 111 Ų | 111 | 55.4 Ų | 55.4 | 59% | 0.594 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -13.8 | -178.4 | 64.5 | -26.3 | 0 | 0 | 0 | 113.8 | P84 L88 Q89 | P84-D86 WeakPolarHBondContact CB-OD1 3.38Å; P84-D86 WeakPolarHBondContact CG-OD1 3.32Å; P84-D86 PolarHBondContact O-N 3.32Å; P84-D86 VanDerWaalsContact O-N 3.15Å; D86-L88 PolarHBondContact O-N 2.89Å; D86-L88 VanDerWaalsContact O-N 3.1Å; D86-Q89 PolarHBondContact O-N 3.39Å |
| 87 | A | 87.3 | Confident | 93.2 | Very high | 15 Ų | 15 | 54 Ų | 54 | 12% | 0.124 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -34.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | I63 P84 | I63-A87 HydrophobicContact CB-CB 4.11Å; I63-A87 HydrophobicContact CD1-CB 4.25Å; I63-A87 HydrophobicContact CG2-CB 4.27Å; P84-A87 HydrophobicContact CG-CB 3.94Å; P84-A87 WeakPolarHBondContact O-CB 3.11Å; P84-A87 PolarHBondContact O-N 2.74Å |
| 88 | L | 89.1 | Confident | 93.2 | Very high | 9 Ų | 9 | 52.3 Ų | 52.3 | 5% | 0.047 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.7 | 10.8 | -174.2 | -61.2 | 172.8 | 0 | 0 | 0 | 112.5 | I63 I66 L73 M83 D86 N90 A91 L94 I97 M117 | I63-L88 HydrophobicContact CG2-CD2 3.99Å; I66-L88 HydrophobicContact CG1-CD2 3.85Å; L73-L88 HydrophobicContact CD2-CD2 3.73Å; M83-L88 HydrophobicContact CE-CD1 3.99Å; D86-L88 PolarHBondContact O-N 2.89Å; D86-L88 VanDerWaalsContact O-N 3.1Å; L88-N90 VanDerWaalsContact C-N 3.27Å; L88-N90 PolarHBondContact O-N 3.18Å; L88-A91 PolarHBondContact O-N 2.86Å; L88-A91 VanDerWaalsContact O-N 3.15Å; L88-L94 HydrophobicContact CD2-CD1 4.05Å; L88-I97 HydrophobicContact CD1-CD1 4.09Å; L88-M117 HydrophobicContact CB-CE 3.62Å; L88-M117 HydrophobicContact CD1-CE 3.3Å; L88-M117 HydrophobicContact CG-CE 4.08Å |
| 89 | Q | 84.3 | Confident | 93.2 | Very high | 137 Ų | 137 | 52 Ų | 52 | 64% | 0.64 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -59.8 | -35.7 | -173 | -173.6 | 178.4 | 13.9 | 0 | 0 | 113 | D86 T92 | D86-Q89 PolarHBondContact O-N 3.39Å; Q89-T92 WeakPolarHBondContact O-CG2 3.16Å |
| 90 | N | 86.3 | Confident | 93.3 | Very high | 105 Ų | 105 | 49.3 Ų | 49.3 | 56% | 0.561 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -79.6 | -28.4 | -179.5 | -69.2 | -12.6 | 0 | 0 | 0 | 113 | P68 L88 T92 | P68-N90 WeakPolarHBondContact CA-O 3.35Å; L88-N90 VanDerWaalsContact C-N 3.27Å; L88-N90 PolarHBondContact O-N 3.18Å; N90-T92 PolarHBondContact O-N 3.22Å |
| 91 | A | 91.6 | Very high | 93.3 | Very high | 2 Ų | 2 | 56.3 Ų | 56.3 | 2% | 0.017 | 28% | 0.279 | C | S | . | . | trans | -88.6 | 57 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I66 L88 Q93 L94 | I66-A91 HydrophobicContact CB-CB 3.92Å; I66-A91 HydrophobicContact CG2-CB 3.63Å; L88-A91 PolarHBondContact O-N 2.86Å; L88-A91 VanDerWaalsContact O-N 3.15Å; A91-Q93 PolarHBondContact O-N 2.95Å; A91-L94 HydrophobicContact CB-CD1 3.58Å; A91-L94 HydrophobicContact CB-CG 3.82Å; A91-L94 WeakPolarHBondContact O-CD1 3.33Å; A91-L94 WeakPolarHBondContact O-CG 3.38Å; A91-L94 PolarHBondContact O-N 3.15Å | ||
| 92 | T | 89.4 | Confident | 93.4 | Very high | 86 Ų | 86 | 52.2 Ų | 52.2 | 53% | 0.528 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -14.7 | -174 | 61.5 | 0 | 0 | 0 | 0 | 114.1 | Q89 N90 | Q89-T92 WeakPolarHBondContact O-CG2 3.16Å; N90-T92 PolarHBondContact O-N 3.22Å |
| 93 | Q | 93.7 | Very high | 93.5 | Very high | 61 Ų | 61 | 54.6 Ų | 54.6 | 29% | 0.285 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 6.8 | -179 | -61.1 | -59.2 | -55.1 | 0 | 0 | 113.7 | T70 W71 A91 R95 | T70-Q93 CarbonylContact O-C 3.37Å; W71-Q93 VanDerWaalsContact CD1-O 3.24Å; A91-Q93 PolarHBondContact O-N 2.95Å; Q93-R95 PolarHBondContact O-N 3.29Å |
| 94 | L | 97.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | trans | -58.5 | 130.1 | -179.9 | -76.3 | 168.2 | 0 | 0 | 0 | 111.5 | T70 L73 L88 A91 I97 H119 L120 | T70-L94 HydrophobicContact CG2-CD2 3.81Å; T70-L94 PolarHBondContact O-N 2.81Å; L73-L94 HydrophobicContact CB-CD2 3.72Å; L73-L94 HydrophobicContact CD2-CD1 4.38Å; L73-L94 HydrophobicContact CD2-CD2 4.41Å; L88-L94 HydrophobicContact CD2-CD1 4.05Å; A91-L94 HydrophobicContact CB-CD1 3.58Å; A91-L94 HydrophobicContact CB-CG 3.82Å; A91-L94 WeakPolarHBondContact O-CD1 3.33Å; A91-L94 WeakPolarHBondContact O-CG 3.38Å; A91-L94 PolarHBondContact O-N 3.15Å; L94-I97 HydrophobicContact CB-CD1 4.42Å; L94-I97 HydrophobicContact CB-CG1 4.39Å; L94-I97 HydrophobicContact CD1-CD1 3.86Å; L94-I97 HydrophobicContact CD1-CG1 4.06Å; L94-I97 HydrophobicContact CD2-CG1 4.28Å; L94-I97 HydrophobicContact CG-CG1 4.48Å; L94-H119 CarbonylContact O-C 3.54Å; L94-L120 HydrophobicContact CB-CD1 4.31Å; L94-L120 WeakPolarHBondContact O-CA 3.42Å; L94-L120 PolarHBondContact O-N 3.02Å; L94-L120 VanDerWaalsContact O-N 3.15Å | ||
| 95 | R | 98.2 | Very high | 94 | Very high | 89 Ų | 89 | 53.4 Ų | 53.4 | 34% | 0.336 | 26% | 0.258 | S | S | . | . | trans | -113.5 | -27.9 | 175.5 | -63.5 | 179.8 | -177.1 | -95.7 | -1.6 | 111.8 | W71 Q93 H119 A121 H122 | W71-R95 HydrophobicContact CB-CG 4.44Å; W71-R95 HydrophobicContact CD2-CG 4.5Å; W71-R95 VanDerWaalsContact CE3-CD 3.47Å; W71-R95 VanDerWaalsContact CE3-NE 3.27Å; W71-R95 HydrophobicContact CG-CG 4.47Å; W71-R95 VanDerWaalsContact CZ3-NE 3.26Å; W71-R95 PolarHBondContact O-N 3.33Å; Q93-R95 PolarHBondContact O-N 3.29Å; R95-H119 WeakPolarHBondContact CA-O 3.1Å; R95-H119 HydrophobicContact CG-CB 4.42Å; R95-A121 PolarHBondContact O-N 3.34Å; R95-H122 PolarHBondContact O-N 3.33Å | ||
| 96 | W | 98.6 | Very high | 94.6 | Very high | 67 Ų | 67 | 49.2 Ų | 49.2 | 25% | 0.254 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 126.1 | -176.5 | -170.1 | -60.5 | 0 | 0 | 0 | 110.3 | W71 Y72 L73 H122 Y124 | W71-W96 PolarHBondContact O-N 3.16Å; Y72-W96 HydrophobicContact CD1-CB 3.67Å; Y72-W96 HydrophobicContact CD1-CG 4.24Å; Y72-W96 HydrophobicContact CE1-CB 4.31Å; L73-W96 PolarHBondContact N-O 2.92Å; W96-H122 WeakPolarHBondContact CA-O 3.21Å; W96-H122 HydrophobicContact CD2-CB 3.84Å; W96-H122 HydrophobicContact CE3-CB 3.84Å; W96-H122 AromaticContact CE3-CD2 3.17Å; W96-H122 AromaticContact CE3-CG 3.69Å; W96-H122 HydrophobicContact CG-CB 4.17Å; W96-H122 HydrophobicContact CZ3-CB 4.35Å; W96-H122 AromaticContact CZ3-CD2 3.46Å; W96-H122 VanDerWaalsContact CZ3-CD2 3.46Å; W96-H122 WeakPolarHBondContact CZ3-CD2 3.34Å; W96-H122 AromaticContact CZ3-CG 3.9Å; W96-H122 AromaticContact CZ3-NE2 4Å; W96-Y124 HydrophobicContact CD2-CE2 4.44Å; W96-Y124 AromaticContact CE2-CE2 3.37Å; W96-Y124 AromaticContact CE2-CZ 3.84Å; W96-Y124 HydrophobicContact CH2-CE2 4.04Å; W96-Y124 AromaticContact CH2-CZ 3.97Å; W96-Y124 WeakPolarHBondContact CH2-OH 3.24Å; W96-Y124 HydrophobicContact CZ2-CD2 4.31Å; W96-Y124 AromaticContact CZ2-CE2 3.2Å; W96-Y124 HydrophobicContact CZ2-CE2 3.2Å; W96-Y124 AromaticContact CZ2-CZ 3.58Å; W96-Y124 WeakPolarHBondContact CZ2-OH 3.43Å; W96-Y124 AromaticContact NE1-CD2 3.79Å; W96-Y124 AromaticContact NE1-CE2 3.45Å |
| 97 | I | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 124.7 | 172.5 | -61.1 | 166.6 | 0 | 0 | 0 | 108.6 | L88 L94 L99 M117 L120 H122 L123 Y124 | L88-I97 HydrophobicContact CD1-CD1 4.09Å; L94-I97 HydrophobicContact CB-CD1 4.42Å; L94-I97 HydrophobicContact CB-CG1 4.39Å; L94-I97 HydrophobicContact CD1-CD1 3.86Å; L94-I97 HydrophobicContact CD1-CG1 4.06Å; L94-I97 HydrophobicContact CD2-CG1 4.28Å; L94-I97 HydrophobicContact CG-CG1 4.48Å; I97-L99 HydrophobicContact CG2-CD1 3.63Å; I97-L99 HydrophobicContact CG2-CG 3.74Å; I97-M117 HydrophobicContact CD1-CE 4.07Å; I97-M117 HydrophobicContact CD1-SD 3.77Å; I97-L120 HydrophobicContact CB-CD1 4.27Å; I97-L120 HydrophobicContact CD1-CD1 3.59Å; I97-L120 HydrophobicContact CD1-CD2 4.04Å; I97-L120 HydrophobicContact CD1-CG 4.5Å; I97-L120 HydrophobicContact CG1-CD1 3.62Å; I97-H122 PolarHBondContact N-O 3.29Å; I97-L123 HydrophobicContact CB-CD1 4.12Å; I97-L123 HydrophobicContact CG2-CD1 4.27Å; I97-Y124 PolarHBondContact O-N 3.4Å |
| 98 | N | 98.9 | Very high | 95.4 | Very high | 23 Ų | 23 | 53.1 Ų | 53.1 | 12% | 0.123 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 106.8 | 172.3 | -172.3 | -6 | 0 | 0 | 0 | 110.6 | L73 Y74 L75 Q76 N100 Y124 | L73-N98 PolarHBondContact O-N 3.32Å; Y74-N98 HydrophobicContact CD1-CB 4.5Å; L75-N98 CarbonylContact C-O 3.46Å; L75-N98 WeakPolarHBondContact CA-O 3.31Å; L75-N98 WeakPolarHBondContact CB-O 3.33Å; L75-N98 PolarHBondContact N-O 3.34Å; Q76-N98 PolarHBondContact N-O 3.31Å; Q76-N98 PolarHBondContact OE1-ND2 3.1Å; N98-N100 VanDerWaalsContact OD1-CB 3.24Å; N98-N100 WeakPolarHBondContact OD1-CB 3.28Å; N98-N100 PolarHBondContact OD1-N 3.02Å; N98-N100 VanDerWaalsContact OD1-N 3.09Å; N98-Y124 HydrophobicContact CB-CD2 4.33Å |
| 99 | L | 98.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -111.9 | 18.4 | 177.5 | -74.1 | 158.7 | 0 | 0 | 0 | 111.8 | I63 L75 I80 M83 I97 N102 I104 Y124 M125 N128 | I63-L99 HydrophobicContact CD1-CD2 4.24Å; L75-L99 HydrophobicContact CB-CD2 3.75Å; L75-L99 HydrophobicContact CD1-CD2 3.7Å; L75-L99 HydrophobicContact CG-CD2 4.39Å; I80-L99 HydrophobicContact CD1-CD2 4.31Å; M83-L99 HydrophobicContact CE-CD1 3.58Å; M83-L99 HydrophobicContact SD-CD1 3.6Å; M83-L99 VanDerWaalsContact SD-CD1 3.6Å; I97-L99 HydrophobicContact CG2-CD1 3.63Å; I97-L99 HydrophobicContact CG2-CG 3.74Å; L99-N102 PolarHBondContact O-ND2 2.79Å; L99-I104 HydrophobicContact CB-CD1 4.13Å; L99-I104 HydrophobicContact CD1-CD1 4.27Å; L99-I104 HydrophobicContact CD2-CD1 4.06Å; L99-I104 HydrophobicContact CG-CD1 4.4Å; L99-Y124 WeakPolarHBondContact CA-O 3.35Å; L99-Y124 WeakPolarHBondContact CB-O 3.38Å; L99-Y124 PolarHBondContact N-O 3.23Å; L99-M125 HydrophobicContact CB-CG 4.3Å; L99-M125 HydrophobicContact CD1-CE 4.37Å; L99-M125 HydrophobicContact CD1-CG 4.42Å; L99-N128 PolarHBondContact O-ND2 3.15Å | ||
| 100 | N | 98.9 | Very high | 96.1 | Very high | 25 Ų | 25 | 48.4 Ų | 48.4 | 13% | 0.134 | 24% | 0.239 | C | C | . | . | trans | -58.7 | 147.6 | -175.9 | -71.1 | -1 | 0 | 0 | 0 | 112.1 | Q76 N77 N98 N102 Y124 M125 D126 | Q76-N100 CarbonylContact C-O 3.48Å; Q76-N100 WeakPolarHBondContact CA-O 3.32Å; Q76-N100 HydrophobicContact CB-CB 4.15Å; Q76-N100 WeakPolarHBondContact CB-O 3.21Å; N77-N100 PolarHBondContact N-O 2.84Å; N98-N100 VanDerWaalsContact OD1-CB 3.24Å; N98-N100 WeakPolarHBondContact OD1-CB 3.28Å; N98-N100 PolarHBondContact OD1-N 3.02Å; N98-N100 VanDerWaalsContact OD1-N 3.09Å; N100-N102 PolarHBondContact O-ND2 3.31Å; N100-Y124 WeakPolarHBondContact OD1-CB 3.44Å; N100-Y124 PolarHBondContact OD1-O 3.05Å; N100-M125 PolarHBondContact OD1-N 3.44Å; N100-D126 CarbonylContact C-O 3.53Å; N100-D126 WeakPolarHBondContact CA-O 3.3Å; N100-D126 HydrophobicContact CB-CB 4.35Å; N100-D126 PolarHBondContact ND2-OD2 2.84Å; N100-D126 WeakPolarHBondContact OD1-CB 3.49Å; N100-D126 PolarHBondContact OD1-N 3.39Å; N100-D126 PolarHBondContact OD1-OD2 3.23Å | ||
| 101 | R | 98.9 | Very high | 96.3 | Very high | 148 Ų | 148 | 51.9 Ų | 51.9 | 56% | 0.558 | 25% | 0.251 | S | S | * | . | S | Bend | trans | 56.4 | 56.6 | 175.1 | -61.3 | 171.5 | 174.5 | -164.2 | 4 | 112 | N77 N78 D126 D127 | N77-R101 WeakPolarHBondContact CA-O 3.25Å; N77-R101 PolarHBondContact N-O 3.42Å; N77-R101 WeakPolarHBondContact OD1-CB 3.47Å; N77-R101 WeakPolarHBondContact OD1-CD 3.46Å; N78-R101 PolarHBondContact N-O 3.22Å; R101-D126 PolarHBondContact N-O 3Å; R101-D127 VanDerWaalsContact CA-O 3.28Å; R101-D127 WeakPolarHBondContact CA-O 3.24Å; R101-D127 HydrophobicContact CB-CB 4.23Å; R101-D127 HydrophobicContact CG-CB 3.5Å; R101-D127 VanDerWaalsContact CG-CB 3.5Å; R101-D127 IonicContact NE-OD2 3.63Å |
| 102 | N | 98.8 | Very high | 96 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -120.4 | -160.4 | 171.6 | -85.8 | -73.8 | 0 | 0 | 0 | 109.5 | L75 N78 L79 I80 L99 N100 I104 D127 N128 | L75-N102 PolarHBondContact O-ND2 3.14Å; N78-N102 WeakPolarHBondContact CA-OD1 3.47Å; N78-N102 WeakPolarHBondContact CB-OD1 3.42Å; N78-N102 PolarHBondContact O-OD1 3.15Å; L79-N102 PolarHBondContact N-OD1 2.72Å; I80-N102 HydrophobicContact CB-CB 4.27Å; I80-N102 VanDerWaalsContact CB-OD1 3.28Å; I80-N102 WeakPolarHBondContact CB-OD1 3.08Å; I80-N102 WeakPolarHBondContact CG1-OD1 3.43Å; I80-N102 PolarHBondContact N-OD1 3.39Å; L99-N102 PolarHBondContact O-ND2 2.79Å; N100-N102 PolarHBondContact O-ND2 3.31Å; N102-I104 HydrophobicContact CB-CD1 4.31Å; N102-I104 HydrophobicContact CB-CG1 4.18Å; N102-D127 PolarHBondContact N-O 2.87Å; N102-N128 WeakPolarHBondContact CA-OD1 3.3Å; N102-N128 WeakPolarHBondContact CB-OD1 3.23Å |
| 103 | K | 98.6 | Very high | 96.1 | Very high | 100 Ų | 100 | 49.7 Ų | 49.7 | 44% | 0.435 | 24% | 0.244 | S | C | . | . | trans | -126.2 | 27.5 | -178.9 | -56.6 | -62.9 | 168.9 | -160.1 | 0 | 111.7 | I80 E81 T105 N128 L129 | I80-K103 CarbonylContact O-C 3.44Å; I80-K103 WeakPolarHBondContact O-CA 3.22Å; I80-K103 PolarHBondContact O-N 2.94Å; E81-K103 HydrophobicContact CG-CB 3.9Å; K103-T105 PolarHBondContact O-N 3.48Å; K103-N128 PolarHBondContact N-OD1 2.98Å; K103-L129 HydrophobicContact CB-CD1 4.2Å; K103-L129 HydrophobicContact CD-CD1 4.26Å | ||
| 104 | I | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -69.8 | 128.2 | -174.4 | -57.6 | 168.5 | 0 | 0 | 0 | 109.6 | I80 M83 L99 N102 V109 M125 N128 L129 L130 | I80-I104 HydrophobicContact CG2-CD1 4.42Å; I80-I104 HydrophobicContact CG2-CG1 4.22Å; I80-I104 WeakPolarHBondContact O-CG1 3.36Å; I80-I104 PolarHBondContact O-N 2.81Å; M83-I104 HydrophobicContact CG-CD1 4.06Å; M83-I104 HydrophobicContact CG-CG2 4.37Å; M83-I104 HydrophobicContact SD-CD1 3.94Å; M83-I104 HydrophobicContact SD-CG2 4.47Å; L99-I104 HydrophobicContact CB-CD1 4.13Å; L99-I104 HydrophobicContact CD1-CD1 4.27Å; L99-I104 HydrophobicContact CD2-CD1 4.06Å; L99-I104 HydrophobicContact CG-CD1 4.4Å; N102-I104 HydrophobicContact CB-CD1 4.31Å; N102-I104 HydrophobicContact CB-CG1 4.18Å; I104-V109 HydrophobicContact CG2-CG2 3.75Å; I104-M125 HydrophobicContact CD1-CE 3.95Å; I104-M125 HydrophobicContact CG2-CE 4.1Å; I104-N128 HydrophobicContact CB-CB 4.48Å; I104-N128 WeakPolarHBondContact CB-OD1 3.39Å; I104-N128 WeakPolarHBondContact CG1-OD1 3.34Å; I104-N128 PolarHBondContact N-OD1 3.07Å; I104-L129 CarbonylContact O-C 3.42Å; I104-L129 VanDerWaalsContact O-C 3.23Å; I104-L129 VanDerWaalsContact O-CA 3.3Å; I104-L129 WeakPolarHBondContact O-CA 3.21Å; I104-L129 WeakPolarHBondContact O-CB 3.44Å; I104-L129 PolarHBondContact O-N 3.21Å; I104-L130 HydrophobicContact CG2-CD2 4.05Å; I104-L130 PolarHBondContact O-N 2.83Å | ||
| 105 | T | 97.9 | Very high | 95.6 | Very high | 30 Ų | 30 | 48.4 Ų | 48.4 | 18% | 0.184 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -108.5 | 152.7 | 174.2 | 61 | 0 | 0 | 0 | 0 | 110.4 | K103 D107 K108 V109 L129 | K103-T105 PolarHBondContact O-N 3.48Å; T105-D107 VanDerWaalsContact C-N 3.3Å; T105-D107 WeakPolarHBondContact CB-OD1 3.06Å; T105-D107 PolarHBondContact O-N 3.47Å; T105-D107 PolarHBondContact OG1-OD1 2.81Å; T105-K108 PolarHBondContact O-N 3.24Å; T105-K108 WeakPolarHBondContact OG1-CD 3.49Å; T105-K108 WeakPolarHBondContact OG1-CG 3.48Å; T105-V109 PolarHBondContact O-N 2.86Å; T105-L129 HydrophobicContact CG2-CB 3.75Å; T105-L129 HydrophobicContact CG2-CD1 4.23Å |
| 106 | S | 97.1 | Very high | 94.9 | Very high | 24 Ų | 24 | 46.9 Ų | 46.9 | 17% | 0.168 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -63 | -32.8 | -173.7 | -65.2 | 0 | 0 | 0 | 0 | 114 | K108 V109 L130 S131 T132 | S106-K108 PolarHBondContact O-N 3.27Å; S106-V109 PolarHBondContact O-N 2.95Å; S106-L130 WeakPolarHBondContact OG-CA 3.36Å; S106-S131 PolarHBondContact OG-N 3.19Å; S106-S131 PolarHBondContact OG-OG 3.19Å; S106-T132 PolarHBondContact OG-N 3.32Å; S106-T132 VanDerWaalsContact OG-N 3.12Å; S106-T132 PolarHBondContact OG-O 3.05Å |
| 107 | D | 95.6 | Very high | 94.6 | Very high | 135 Ų | 135 | 44.5 Ų | 44.5 | 72% | 0.722 | 25% | 0.25 | S | S | * | . | G | 310 helix | trans | -69.3 | -19.3 | 175.8 | 61.3 | -53.7 | 0 | 0 | 0 | 113.4 | T105 | T105-D107 VanDerWaalsContact C-N 3.3Å; T105-D107 WeakPolarHBondContact CB-OD1 3.06Å; T105-D107 PolarHBondContact O-N 3.47Å; T105-D107 PolarHBondContact OG1-OD1 2.81Å |
| 108 | K | 95.4 | Very high | 94.3 | Very high | 73 Ų | 73 | 52.4 Ų | 52.4 | 32% | 0.317 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -100.9 | 4.9 | 179.8 | -71 | -178.8 | 172.1 | 179.7 | 0 | 113.1 | E81 T82 M83 T105 S106 | E81-K108 HydrophobicContact CB-CD 4.21Å; E81-K108 VanDerWaalsContact O-CB 3.25Å; E81-K108 WeakPolarHBondContact O-CB 3.38Å; E81-K108 VanDerWaalsContact O-CD 3.31Å; E81-K108 WeakPolarHBondContact O-CD 3.44Å; E81-K108 IonicContact OE2-NZ 2.74Å; E81-K108 PolarHBondContact OE2-NZ 2.98Å; T82-K108 HydrophobicContact CG2-CB 3.89Å; T82-K108 HydrophobicContact CG2-CD 3.65Å; T82-K108 HydrophobicContact CG2-CG 3.93Å; M83-K108 PolarHBondContact N-O 2.99Å; T105-K108 PolarHBondContact O-N 3.24Å; T105-K108 WeakPolarHBondContact OG1-CD 3.49Å; T105-K108 WeakPolarHBondContact OG1-CG 3.48Å; S106-K108 PolarHBondContact O-N 3.27Å |
| 109 | V | 95.7 | Very high | 94.2 | Very high | 25 Ų | 25 | 55 Ų | 55 | 15% | 0.152 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | -87.8 | 111.7 | 167.9 | -178.5 | 0 | 0 | 0 | 0 | 107.7 | I104 T105 S106 V113 L130 | I104-V109 HydrophobicContact CG2-CG2 3.75Å; T105-V109 PolarHBondContact O-N 2.86Å; S106-V109 PolarHBondContact O-N 2.95Å; V109-V113 HydrophobicContact CG1-CG1 3.79Å; V109-L130 HydrophobicContact CG2-CD2 4.09Å |
| 110 | G | 92.4 | Very high | 94.2 | Very high | 22 Ų | 22 | 55 Ų | 55 | 23% | 0.227 | 30% | 0.296 | C | S | . | . | trans | -59 | 136.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | M83 G112 V113 | M83-G110 WeakPolarHBondContact O-CA 3.12Å; M83-G110 PolarHBondContact O-N 2.97Å; G110-G112 PolarHBondContact O-N 2.89Å; G110-V113 WeakPolarHBondContact O-CB 3.49Å; G110-V113 WeakPolarHBondContact O-CG1 3.29Å; G110-V113 PolarHBondContact O-N 3.3Å; G110-V113 VanDerWaalsContact O-N 3.12Å | ||
| 111 | E | 89.3 | Confident | 94.2 | Very high | 178 Ų | 178 | 54.5 Ų | 54.5 | 83% | 0.832 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 127.2 | 179.1 | -171.9 | 177.6 | 178.1 | 0 | 0 | 110.6 | L85 V113 | L85-E111 WeakPolarHBondContact CD1-O 3.34Å; E111-V113 PolarHBondContact O-N 2.76Å |
| 112 | G | 86.2 | Confident | 94.2 | Very high | 30 Ų | 30 | 48.8 Ų | 48.8 | 31% | 0.309 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | -2.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | G110 L114 G115 | G110-G112 PolarHBondContact O-N 2.89Å; G112-L114 PolarHBondContact O-N 2.55Å; G112-L114 VanDerWaalsContact O-N 3.15Å; G112-G115 PolarHBondContact O-N 3.33Å |
| 113 | V | 91.9 | Very high | 94.2 | Very high | 12 Ų | 12 | 48.7 Ų | 48.7 | 7% | 0.073 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -36.4 | -177.8 | 71.9 | 0 | 0 | 0 | 0 | 112.6 | P84 V109 G110 E111 M117 | P84-V113 WeakPolarHBondContact O-CG2 3.2Å; V109-V113 HydrophobicContact CG1-CG1 3.79Å; G110-V113 WeakPolarHBondContact O-CB 3.49Å; G110-V113 WeakPolarHBondContact O-CG1 3.29Å; G110-V113 PolarHBondContact O-N 3.3Å; G110-V113 VanDerWaalsContact O-N 3.12Å; E111-V113 PolarHBondContact O-N 2.76Å; V113-M117 VanDerWaalsContact O-CE 3.3Å; V113-M117 WeakPolarHBondContact O-CE 3.1Å |
| 114 | L | 91.9 | Very high | 94.2 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -33.9 | 178.7 | -61.1 | 175.3 | 0 | 0 | 0 | 112.9 | M83 G112 G116 M117 L123 P134 L137 P138 | M83-L114 HydrophobicContact CE-CD2 3.98Å; G112-L114 PolarHBondContact O-N 2.55Å; G112-L114 VanDerWaalsContact O-N 3.15Å; L114-G116 PolarHBondContact O-N 3.22Å; L114-M117 HydrophobicContact CD2-CE 4.18Å; L114-M117 HydrophobicContact CD2-SD 4.11Å; L114-M117 WeakPolarHBondContact O-CB 3.28Å; L114-M117 PolarHBondContact O-N 3.32Å; L114-M117 VanDerWaalsContact O-N 3.13Å; L114-L123 HydrophobicContact CD1-CD2 3.83Å; L114-L123 HydrophobicContact CD2-CD2 4.14Å; L114-P134 HydrophobicContact CD1-CB 3.76Å; L114-P134 HydrophobicContact CD1-CG 4.4Å; L114-L137 HydrophobicContact CD1-CD2 4.41Å; L114-P138 HydrophobicContact CB-CG 4.48Å; L114-P138 WeakPolarHBondContact O-CB 3.49Å; L114-P138 WeakPolarHBondContact O-CD 3.46Å; L114-P138 VanDerWaalsContact O-CG 3.23Å; L114-P138 WeakPolarHBondContact O-CG 3.38Å |
| 115 | G | 87.4 | Confident | 94.2 | Very high | 31 Ų | 31 | 44.8 Ų | 44.8 | 32% | 0.32 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -26.7 | -173 | 0 | 0 | 0 | 0 | 0 | 114.7 | G112 M117 P136 | G112-G115 PolarHBondContact O-N 3.33Å; G115-M117 VanDerWaalsContact C-N 3.3Å; G115-M117 PolarHBondContact O-N 2.92Å; G115-P136 PolarHBondContact N-O 3.04Å |
| 116 | G | 84.6 | Confident | 94.3 | Very high | 58 Ų | 58 | 43.7 Ų | 43.7 | 60% | 0.598 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -9.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L114 K118 | L114-G116 PolarHBondContact O-N 3.22Å; G116-K118 PolarHBondContact O-N 3.17Å; G116-K118 VanDerWaalsContact O-N 3.08Å |
| 117 | M | 92.3 | Very high | 94.3 | Very high | 17 Ų | 17 | 44.6 Ų | 44.6 | 8% | 0.084 | 25% | 0.252 | C | S | . | . | trans | -84.4 | 85 | -171.1 | -59.6 | 176.8 | 176.6 | 0 | 0 | 112.4 | L88 I97 V113 L114 G115 H119 L120 P138 S140 | L88-M117 HydrophobicContact CB-CE 3.62Å; L88-M117 HydrophobicContact CD1-CE 3.3Å; L88-M117 HydrophobicContact CG-CE 4.08Å; I97-M117 HydrophobicContact CD1-CE 4.07Å; I97-M117 HydrophobicContact CD1-SD 3.77Å; V113-M117 VanDerWaalsContact O-CE 3.3Å; V113-M117 WeakPolarHBondContact O-CE 3.1Å; L114-M117 HydrophobicContact CD2-CE 4.18Å; L114-M117 HydrophobicContact CD2-SD 4.11Å; L114-M117 WeakPolarHBondContact O-CB 3.28Å; L114-M117 PolarHBondContact O-N 3.32Å; L114-M117 VanDerWaalsContact O-N 3.13Å; G115-M117 VanDerWaalsContact C-N 3.3Å; G115-M117 PolarHBondContact O-N 2.92Å; M117-H119 PolarHBondContact O-N 2.85Å; M117-H119 VanDerWaalsContact O-N 3.13Å; M117-L120 HydrophobicContact CB-CB 3.82Å; M117-L120 PolarHBondContact O-N 3.32Å; M117-L120 HydrophobicContact SD-CD2 3.77Å; M117-P138 HydrophobicContact CB-CB 4.1Å; M117-P138 HydrophobicContact CB-CG 4.22Å; M117-P138 WeakPolarHBondContact O-CB 3.36Å; M117-S140 PolarHBondContact O-OG 2.86Å | ||
| 118 | K | 92.5 | Very high | 94.5 | Very high | 166 Ų | 166 | 38.4 Ų | 38.4 | 72% | 0.722 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -14.2 | -173.1 | -60.1 | -178.3 | -177.8 | 178.7 | 0 | 116.1 | G116 S140 | G116-K118 PolarHBondContact O-N 3.17Å; G116-K118 VanDerWaalsContact O-N 3.08Å; K118-S140 VanDerWaalsContact O-CB 3.26Å; K118-S140 WeakPolarHBondContact O-CB 3.18Å; K118-S140 PolarHBondContact O-OG 3.17Å |
| 119 | H | 96.7 | Very high | 94.6 | Very high | 78 Ų | 78 | 37.2 Ų | 37.2 | 36% | 0.361 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118 | -1.2 | -175.9 | -60.6 | -57.2 | 0 | 0 | 0 | 113.5 | L94 R95 M117 A121 | L94-H119 CarbonylContact O-C 3.54Å; R95-H119 WeakPolarHBondContact CA-O 3.1Å; R95-H119 HydrophobicContact CG-CB 4.42Å; M117-H119 PolarHBondContact O-N 2.85Å; M117-H119 VanDerWaalsContact O-N 3.13Å; H119-A121 PolarHBondContact O-N 3.37Å |
| 120 | L | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -71.1 | 114.6 | -176.9 | -169.4 | 73.7 | 0 | 0 | 0 | 110 | L94 I97 M117 L123 P138 S140 L141 | L94-L120 HydrophobicContact CB-CD1 4.31Å; L94-L120 WeakPolarHBondContact O-CA 3.42Å; L94-L120 PolarHBondContact O-N 3.02Å; L94-L120 VanDerWaalsContact O-N 3.15Å; I97-L120 HydrophobicContact CB-CD1 4.27Å; I97-L120 HydrophobicContact CD1-CD1 3.59Å; I97-L120 HydrophobicContact CD1-CD2 4.04Å; I97-L120 HydrophobicContact CD1-CG 4.5Å; I97-L120 HydrophobicContact CG1-CD1 3.62Å; M117-L120 HydrophobicContact CB-CB 3.82Å; M117-L120 PolarHBondContact O-N 3.32Å; M117-L120 HydrophobicContact SD-CD2 3.77Å; L120-L123 HydrophobicContact CD2-CB 4.06Å; L120-L123 HydrophobicContact CD2-CD1 4.44Å; L120-P138 HydrophobicContact CB-CB 4.44Å; L120-P138 HydrophobicContact CB-CG 4.15Å; L120-P138 HydrophobicContact CD2-CG 3.76Å; L120-S140 PolarHBondContact N-OG 3.44Å; L120-S140 CarbonylContact O-C 3.13Å; L120-S140 WeakPolarHBondContact O-CB 3.1Å; L120-S140 PolarHBondContact O-OG 3.01Å; L120-L141 HydrophobicContact CD2-CD2 4.08Å; L120-L141 HydrophobicContact CG-CD2 4.11Å; L120-L141 WeakPolarHBondContact O-CA 3.45Å; L120-L141 PolarHBondContact O-N 2.87Å | ||
| 121 | A | 98.6 | Very high | 95.1 | Very high | 13 Ų | 13 | 37.8 Ų | 37.8 | 11% | 0.107 | 22% | 0.218 | C | C | . | . | trans | -100.1 | -33.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R95 H119 E142 H143 | R95-A121 PolarHBondContact O-N 3.34Å; H119-A121 PolarHBondContact O-N 3.37Å; A121-E142 HydrophobicContact CB-CB 4.42Å; A121-E142 HydrophobicContact CB-CG 4.26Å; A121-E142 WeakPolarHBondContact O-CA 3.37Å; A121-E142 PolarHBondContact O-N 2.92Å; A121-H143 PolarHBondContact O-N 2.84Å | ||
| 122 | H | 98.9 | Very high | 95.5 | Very high | 28 Ų | 28 | 31.1 Ų | 31.1 | 13% | 0.13 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 120.4 | -176.3 | -55 | -60 | 0 | 0 | 0 | 111.5 | R95 W96 I97 Y124 H143 | R95-H122 PolarHBondContact O-N 3.33Å; W96-H122 WeakPolarHBondContact CA-O 3.21Å; W96-H122 HydrophobicContact CD2-CB 3.84Å; W96-H122 HydrophobicContact CE3-CB 3.84Å; W96-H122 AromaticContact CE3-CD2 3.17Å; W96-H122 AromaticContact CE3-CG 3.69Å; W96-H122 HydrophobicContact CG-CB 4.17Å; W96-H122 HydrophobicContact CZ3-CB 4.35Å; W96-H122 AromaticContact CZ3-CD2 3.46Å; W96-H122 VanDerWaalsContact CZ3-CD2 3.46Å; W96-H122 WeakPolarHBondContact CZ3-CD2 3.34Å; W96-H122 AromaticContact CZ3-CG 3.9Å; W96-H122 AromaticContact CZ3-NE2 4Å; I97-H122 PolarHBondContact N-O 3.29Å; H122-Y124 HydrophobicContact CB-CE1 4Å; H122-H143 AromaticContact CE1-CE1 3.51Å; H122-H143 AromaticContact CE1-CG 3.63Å; H122-H143 AromaticContact CE1-ND1 3.22Å; H122-H143 PolarHBondContact CE1-ND1 2.85Å; H122-H143 WeakPolarHBondContact ND1-CB 3.5Å; H122-H143 AromaticContact ND1-CE1 3.83Å; H122-H143 AromaticContact ND1-CG 3.25Å; H122-H143 AromaticContact ND1-ND1 3.07Å; H122-H143 PolarHBondContact ND1-ND1 2.99Å |
| 123 | L | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 115.2 | 174.8 | 178.2 | 59.6 | 0 | 0 | 0 | 109.6 | I97 L114 L120 M125 L141 H143 L144 R145 | I97-L123 HydrophobicContact CB-CD1 4.12Å; I97-L123 HydrophobicContact CG2-CD1 4.27Å; L114-L123 HydrophobicContact CD1-CD2 3.83Å; L114-L123 HydrophobicContact CD2-CD2 4.14Å; L120-L123 HydrophobicContact CD2-CB 4.06Å; L120-L123 HydrophobicContact CD2-CD1 4.44Å; L123-M125 HydrophobicContact CD1-CG 3.91Å; L123-M125 HydrophobicContact CD1-SD 4.15Å; L123-M125 HydrophobicContact CD2-SD 4.12Å; L123-M125 HydrophobicContact CG-CG 4.06Å; L123-M125 HydrophobicContact CG-SD 4.21Å; L123-L141 HydrophobicContact CB-CD2 3.84Å; L123-H143 PolarHBondContact N-O 3.38Å; L123-H143 VanDerWaalsContact N-O 3.09Å; L123-L144 HydrophobicContact CB-CD1 4.2Å; L123-L144 HydrophobicContact CD2-CD1 4.02Å; L123-L144 HydrophobicContact CG-CD1 4.19Å; L123-R145 PolarHBondContact O-N 2.93Å |
| 124 | Y | 98.9 | Very high | 96.3 | Very high | 17 Ų | 17 | 29.6 Ų | 29.6 | 7% | 0.067 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 121.3 | 176.2 | -47.4 | -32.7 | 0 | 0 | 0 | 110 | W96 I97 N98 L99 N100 H122 H143 R145 | W96-Y124 HydrophobicContact CD2-CE2 4.44Å; W96-Y124 AromaticContact CE2-CE2 3.37Å; W96-Y124 AromaticContact CE2-CZ 3.84Å; W96-Y124 HydrophobicContact CH2-CE2 4.04Å; W96-Y124 AromaticContact CH2-CZ 3.97Å; W96-Y124 WeakPolarHBondContact CH2-OH 3.24Å; W96-Y124 HydrophobicContact CZ2-CD2 4.31Å; W96-Y124 AromaticContact CZ2-CE2 3.2Å; W96-Y124 HydrophobicContact CZ2-CE2 3.2Å; W96-Y124 AromaticContact CZ2-CZ 3.58Å; W96-Y124 WeakPolarHBondContact CZ2-OH 3.43Å; W96-Y124 AromaticContact NE1-CD2 3.79Å; W96-Y124 AromaticContact NE1-CE2 3.45Å; I97-Y124 PolarHBondContact O-N 3.4Å; N98-Y124 HydrophobicContact CB-CD2 4.33Å; L99-Y124 WeakPolarHBondContact CA-O 3.35Å; L99-Y124 WeakPolarHBondContact CB-O 3.38Å; L99-Y124 PolarHBondContact N-O 3.23Å; N100-Y124 WeakPolarHBondContact OD1-CB 3.44Å; N100-Y124 PolarHBondContact OD1-O 3.05Å; H122-Y124 HydrophobicContact CB-CE1 4Å; Y124-H143 HydrophobicContact CE1-CB 4.39Å; Y124-R145 HydrophobicContact CD1-CB 3.86Å; Y124-R145 HydrophobicContact CD1-CG 3.79Å; Y124-R145 HydrophobicContact CE1-CG 4.09Å |
| 125 | M | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -134.3 | 34.5 | 175.6 | -50.2 | -179.7 | 70.2 | 0 | 0 | 110.2 | M83 L99 N100 I104 L123 N128 L130 P134 R145 L146 N149 | M83-M125 HydrophobicContact SD-CE 3.58Å; M83-M125 VanDerWaalsContact SD-CE 3.58Å; L99-M125 HydrophobicContact CB-CG 4.3Å; L99-M125 HydrophobicContact CD1-CE 4.37Å; L99-M125 HydrophobicContact CD1-CG 4.42Å; N100-M125 PolarHBondContact OD1-N 3.44Å; I104-M125 HydrophobicContact CD1-CE 3.95Å; I104-M125 HydrophobicContact CG2-CE 4.1Å; L123-M125 HydrophobicContact CD1-CG 3.91Å; L123-M125 HydrophobicContact CD1-SD 4.15Å; L123-M125 HydrophobicContact CD2-SD 4.12Å; L123-M125 HydrophobicContact CG-CG 4.06Å; L123-M125 HydrophobicContact CG-SD 4.21Å; M125-N128 PolarHBondContact O-ND2 3.12Å; M125-L130 HydrophobicContact CB-CD1 4.19Å; M125-L130 HydrophobicContact CE-CD1 4.09Å; M125-L130 HydrophobicContact CE-CD2 4.4Å; M125-L130 HydrophobicContact SD-CD1 4.29Å; M125-P134 HydrophobicContact SD-CG 4.37Å; M125-R145 PolarHBondContact N-O 3.09Å; M125-L146 HydrophobicContact CB-CD2 3.91Å; M125-L146 HydrophobicContact CG-CD2 4.38Å; M125-L146 HydrophobicContact SD-CD2 4.39Å; M125-N149 PolarHBondContact O-ND2 3.39Å | ||
| 126 | D | 98.9 | Very high | 96.8 | Very high | 7 Ų | 7 | 34.3 Ų | 34.3 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | trans | -59.7 | 152.9 | 174.8 | -55 | -67.5 | 0 | 0 | 0 | 111 | N100 R101 N128 R145 S147 | N100-D126 CarbonylContact C-O 3.53Å; N100-D126 WeakPolarHBondContact CA-O 3.3Å; N100-D126 HydrophobicContact CB-CB 4.35Å; N100-D126 PolarHBondContact ND2-OD2 2.84Å; N100-D126 WeakPolarHBondContact OD1-CB 3.49Å; N100-D126 PolarHBondContact OD1-N 3.39Å; N100-D126 PolarHBondContact OD1-OD2 3.23Å; R101-D126 PolarHBondContact N-O 3Å; D126-N128 PolarHBondContact O-N 3.06Å; D126-N128 PolarHBondContact O-ND2 2.96Å; D126-R145 WeakPolarHBondContact OD1-CB 3.49Å; D126-R145 WeakPolarHBondContact OD2-CB 3.08Å; D126-S147 CarbonylContact C-O 3.45Å; D126-S147 WeakPolarHBondContact CA-O 3.33Å; D126-S147 VanDerWaalsContact CG-OG 3.29Å; D126-S147 VanDerWaalsContact OD1-CB 3.28Å; D126-S147 WeakPolarHBondContact OD1-CB 3.34Å; D126-S147 PolarHBondContact OD1-N 3.38Å; D126-S147 PolarHBondContact OD1-OG 3.18Å | ||
| 127 | D | 98.9 | Very high | 97.3 | Very high | 43 Ų | 43 | 32 Ų | 32 | 23% | 0.23 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 54.8 | 48 | 176.5 | -61 | -70.1 | 0 | 0 | 0 | 113.2 | R101 N102 S147 R148 | R101-D127 VanDerWaalsContact CA-O 3.28Å; R101-D127 WeakPolarHBondContact CA-O 3.24Å; R101-D127 HydrophobicContact CB-CB 4.23Å; R101-D127 HydrophobicContact CG-CB 3.5Å; R101-D127 VanDerWaalsContact CG-CB 3.5Å; R101-D127 IonicContact NE-OD2 3.63Å; N102-D127 PolarHBondContact N-O 2.87Å; D127-S147 PolarHBondContact N-O 2.83Å; D127-R148 WeakPolarHBondContact CA-O 3.27Å; D127-R148 VanDerWaalsContact CG-NE 3.29Å; D127-R148 WeakPolarHBondContact OD1-CB 3.16Å; D127-R148 WeakPolarHBondContact OD1-CD 3.35Å; D127-R148 IonicContact OD1-CZ 3.69Å; D127-R148 IonicContact OD1-NE 2.85Å; D127-R148 PolarHBondContact OD1-NE 3.08Å; D127-R148 IonicContact OD1-NH2 2.71Å; D127-R148 IonicContact OD2-CZ 2.95Å; D127-R148 IonicContact OD2-NE 3.9Å; D127-R148 PolarHBondContact OD2-NE 3.12Å; D127-R148 IonicContact OD2-NH2 3.66Å; D127-R148 PolarHBondContact OD2-NH2 2.88Å |
| 128 | N | 98.8 | Very high | 97.5 | Very high | 6 Ų | 6 | 31.3 Ų | 31.3 | 3% | 0.032 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -116.7 | -163.2 | 173.3 | -86.2 | -80.7 | 0 | 0 | 0 | 110.7 | L99 N102 K103 I104 M125 D126 L130 N149 | L99-N128 PolarHBondContact O-ND2 3.15Å; N102-N128 WeakPolarHBondContact CA-OD1 3.3Å; N102-N128 WeakPolarHBondContact CB-OD1 3.23Å; K103-N128 PolarHBondContact N-OD1 2.98Å; I104-N128 HydrophobicContact CB-CB 4.48Å; I104-N128 WeakPolarHBondContact CB-OD1 3.39Å; I104-N128 WeakPolarHBondContact CG1-OD1 3.34Å; I104-N128 PolarHBondContact N-OD1 3.07Å; M125-N128 PolarHBondContact O-ND2 3.12Å; D126-N128 PolarHBondContact O-N 3.06Å; D126-N128 PolarHBondContact O-ND2 2.96Å; N128-L130 HydrophobicContact CB-CG 4.43Å; N128-N149 VanDerWaalsContact CA-OD1 3.23Å; N128-N149 WeakPolarHBondContact CA-OD1 3.42Å; N128-N149 WeakPolarHBondContact CB-OD1 3.3Å; N128-N149 PolarHBondContact N-OD1 3.3Å; N128-N149 PolarHBondContact O-OD1 3.44Å |
| 129 | L | 98.7 | Very high | 97.6 | Very high | 47 Ų | 47 | 27.8 Ų | 27.8 | 25% | 0.246 | 16% | 0.164 | C | C | . | . | B | Isolated β-bridge | trans | -118.9 | 25.5 | -177.4 | -56.2 | 176.8 | 0 | 0 | 0 | 112 | K103 I104 T105 N149 | K103-L129 HydrophobicContact CB-CD1 4.2Å; K103-L129 HydrophobicContact CD-CD1 4.26Å; I104-L129 CarbonylContact O-C 3.42Å; I104-L129 VanDerWaalsContact O-C 3.23Å; I104-L129 VanDerWaalsContact O-CA 3.3Å; I104-L129 WeakPolarHBondContact O-CA 3.21Å; I104-L129 WeakPolarHBondContact O-CB 3.44Å; I104-L129 PolarHBondContact O-N 3.21Å; T105-L129 HydrophobicContact CG2-CB 3.75Å; T105-L129 HydrophobicContact CG2-CD1 4.23Å; L129-N149 PolarHBondContact N-OD1 3.27Å |
| 130 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -64.8 | 134.4 | 179.9 | -60.1 | 172.7 | 0 | 0 | 0 | 110.5 | I104 S106 V109 M125 N128 P134 L146 N149 R150 I151 | I104-L130 HydrophobicContact CG2-CD2 4.05Å; I104-L130 PolarHBondContact O-N 2.83Å; S106-L130 WeakPolarHBondContact OG-CA 3.36Å; V109-L130 HydrophobicContact CG2-CD2 4.09Å; M125-L130 HydrophobicContact CB-CD1 4.19Å; M125-L130 HydrophobicContact CE-CD1 4.09Å; M125-L130 HydrophobicContact CE-CD2 4.4Å; M125-L130 HydrophobicContact SD-CD1 4.29Å; N128-L130 HydrophobicContact CB-CG 4.43Å; L130-P134 HydrophobicContact CD1-CG 4.25Å; L130-L146 HydrophobicContact CD1-CD2 3.89Å; L130-N149 HydrophobicContact CB-CB 4.21Å; L130-N149 WeakPolarHBondContact CB-OD1 3.27Å; L130-N149 WeakPolarHBondContact CG-OD1 3.11Å; L130-N149 PolarHBondContact N-OD1 3Å; L130-R150 CarbonylContact O-C 3.11Å; L130-R150 WeakPolarHBondContact O-CA 3.37Å; L130-R150 WeakPolarHBondContact O-CB 3.5Å; L130-R150 PolarHBondContact O-N 3.36Å; L130-I151 HydrophobicContact CB-CD1 4.39Å; L130-I151 HydrophobicContact CB-CG1 4.07Å; L130-I151 PolarHBondContact O-N 2.95Å; L130-I151 VanDerWaalsContact O-N 3.08Å | ||
| 131 | S | 98.4 | Very high | 97.7 | Very high | 59 Ų | 59 | 24.6 Ų | 24.6 | 41% | 0.413 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -102.9 | -15.8 | 176.4 | 56.7 | 0 | 0 | 0 | 0 | 113.4 | S106 I151 S152 | S106-S131 PolarHBondContact OG-N 3.19Å; S106-S131 PolarHBondContact OG-OG 3.19Å; S131-I151 WeakPolarHBondContact O-CA 3.35Å; S131-S152 PolarHBondContact O-N 2.92Å |
| 132 | T | 98.4 | Very high | 97.7 | Very high | 39 Ų | 39 | 27.3 Ų | 27.3 | 24% | 0.239 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | -139.9 | 154.1 | 174.1 | 179.7 | 0 | 0 | 0 | 0 | 110.1 | S106 K153 P155 | S106-T132 PolarHBondContact OG-N 3.32Å; S106-T132 VanDerWaalsContact OG-N 3.12Å; S106-T132 PolarHBondContact OG-O 3.05Å; T132-K153 WeakPolarHBondContact CA-O 3.44Å; T132-K153 PolarHBondContact OG1-O 3.17Å; T132-P155 WeakPolarHBondContact OG1-CD 3.39Å; T132-P155 WeakPolarHBondContact OG1-CG 3.23Å |
| 133 | V | 98.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | trans | -57.7 | 130.3 | 166.6 | 177.3 | 0 | 0 | 0 | 0 | 108.8 | L137 L146 I151 K153 I154 V158 F159 L170 | V133-L137 HydrophobicContact CG1-CD1 4.15Å; V133-L146 HydrophobicContact CB-CD1 4.43Å; V133-L146 HydrophobicContact CG1-CD1 4.07Å; V133-L146 HydrophobicContact CG2-CD1 4.08Å; V133-I151 HydrophobicContact CG2-CD1 4.41Å; V133-I151 HydrophobicContact CG2-CG2 4.15Å; V133-K153 PolarHBondContact N-O 3.13Å; V133-I154 HydrophobicContact CG2-CB 4.4Å; V133-I154 HydrophobicContact CG2-CG1 3.98Å; V133-I154 HydrophobicContact CG2-CG2 4.37Å; V133-V158 HydrophobicContact CG1-CG1 4.23Å; V133-V158 HydrophobicContact CG1-CG2 4.11Å; V133-F159 HydrophobicContact CG1-CE1 4.22Å; V133-F159 HydrophobicContact CG1-CZ 4.33Å; V133-L170 HydrophobicContact CG2-CD2 4.11Å | ||
| 134 | P | 96.4 | Very high | 97.7 | Very high | 8 Ų | 8 | 28.1 Ų | 28.1 | 5% | 0.052 | 17% | 0.165 | C | C | . | . | trans | -59.1 | 145.4 | 177.2 | -24.4 | 34.3 | 0 | 0 | 0 | 112.1 | L114 M125 L130 L137 V158 | L114-P134 HydrophobicContact CD1-CB 3.76Å; L114-P134 HydrophobicContact CD1-CG 4.4Å; M125-P134 HydrophobicContact SD-CG 4.37Å; L130-P134 HydrophobicContact CD1-CG 4.25Å; P134-L137 HydrophobicContact CB-CD2 4.32Å; P134-L137 WeakPolarHBondContact O-CD2 3.36Å; P134-L137 WeakPolarHBondContact O-CG 3.14Å; P134-V158 WeakPolarHBondContact O-CG2 3.48Å | ||
| 135 | S | 93.9 | Very high | 97.7 | Very high | 74 Ų | 74 | 31.5 Ų | 31.5 | 52% | 0.517 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -145.8 | 141.4 | 178.5 | -175.3 | 0 | 0 | 0 | 0 | 110.4 | ||
| 136 | P | 94.8 | Very high | 97.7 | Very high | 60 Ų | 60 | 31.5 Ų | 31.5 | 39% | 0.39 | 18% | 0.177 | S | C | . | . | S | Bend | cis | -72.7 | 153.8 | -8.4 | 30.5 | -35.2 | 0 | 0 | 0 | 112.6 | G115 | G115-P136 PolarHBondContact N-O 3.04Š|
| 137 | L | 96.4 | Very high | 97.7 | Very high | 10 Ų | 10 | 31.2 Ų | 31.2 | 5% | 0.052 | 18% | 0.176 | C | C | . | . | P | Polyproline II helix | trans | -95.7 | 149.2 | 172.5 | -69.4 | 172.9 | 0 | 0 | 0 | 111 | L114 V133 P134 V139 L141 L144 V158 F159 L162 | L114-L137 HydrophobicContact CD1-CD2 4.41Å; V133-L137 HydrophobicContact CG1-CD1 4.15Å; P134-L137 HydrophobicContact CB-CD2 4.32Å; P134-L137 WeakPolarHBondContact O-CD2 3.36Å; P134-L137 WeakPolarHBondContact O-CG 3.14Å; L137-V139 PolarHBondContact O-N 2.88Å; L137-L141 HydrophobicContact CB-CD1 4.12Å; L137-L141 HydrophobicContact CD2-CD1 4.2Å; L137-L144 HydrophobicContact CD1-CD2 3.68Å; L137-L144 HydrophobicContact CD2-CD2 4.34Å; L137-V158 HydrophobicContact CD1-CG2 4.03Å; L137-V158 HydrophobicContact CG-CG2 4.24Å; L137-F159 HydrophobicContact CD1-CD1 3.93Å; L137-F159 HydrophobicContact CD1-CE1 3.88Å; L137-L162 HydrophobicContact CB-CD1 3.99Å; L137-L162 HydrophobicContact CB-CD2 4.28Å; L137-L162 HydrophobicContact CD1-CD1 3.84Å |
| 138 | P | 95.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -70 | 130.1 | 177 | 12.1 | -14.8 | 0 | 0 | 0 | 112 | L114 M117 L120 S140 L141 L162 | L114-P138 HydrophobicContact CB-CG 4.48Å; L114-P138 WeakPolarHBondContact O-CB 3.49Å; L114-P138 WeakPolarHBondContact O-CD 3.46Å; L114-P138 VanDerWaalsContact O-CG 3.23Å; L114-P138 WeakPolarHBondContact O-CG 3.38Å; M117-P138 HydrophobicContact CB-CB 4.1Å; M117-P138 HydrophobicContact CB-CG 4.22Å; M117-P138 WeakPolarHBondContact O-CB 3.36Å; L120-P138 HydrophobicContact CB-CB 4.44Å; L120-P138 HydrophobicContact CB-CG 4.15Å; L120-P138 HydrophobicContact CD2-CG 3.76Å; P138-S140 PolarHBondContact O-N 3.43Å; P138-S140 VanDerWaalsContact O-N 3.07Å; P138-L141 HydrophobicContact CB-CG 4.48Å; P138-L141 HydrophobicContact CG-CD1 4Å; P138-L141 HydrophobicContact CG-CD2 4.43Å; P138-L141 HydrophobicContact CG-CG 3.89Å; P138-L141 WeakPolarHBondContact O-CB 3.31Å; P138-L141 WeakPolarHBondContact O-CG 3.19Å; P138-L141 PolarHBondContact O-N 3.2Å; P138-L162 WeakPolarHBondContact O-CD2 3.45Å |
| 139 | V | 95.8 | Very high | 97.7 | Very high | 92 Ų | 92 | 34.5 Ų | 34.5 | 56% | 0.558 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -15.7 | -177.5 | -61.5 | 0 | 0 | 0 | 0 | 115.1 | L137 L141 L162 | L137-V139 PolarHBondContact O-N 2.88Å; V139-L141 VanDerWaalsContact C-N 3.32Å; V139-L162 HydrophobicContact CG1-CD2 4.46Å |
| 140 | S | 97.4 | Very high | 97.7 | Very high | 12 Ų | 12 | 38.7 Ų | 38.7 | 8% | 0.084 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -5.1 | 176.6 | 54.5 | 0 | 0 | 0 | 0 | 114.2 | M117 K118 L120 P138 E142 | M117-S140 PolarHBondContact O-OG 2.86Å; K118-S140 VanDerWaalsContact O-CB 3.26Å; K118-S140 WeakPolarHBondContact O-CB 3.18Å; K118-S140 PolarHBondContact O-OG 3.17Å; L120-S140 PolarHBondContact N-OG 3.44Å; L120-S140 CarbonylContact O-C 3.13Å; L120-S140 WeakPolarHBondContact O-CB 3.1Å; L120-S140 PolarHBondContact O-OG 3.01Å; P138-S140 PolarHBondContact O-N 3.43Å; P138-S140 VanDerWaalsContact O-N 3.07Å; S140-E142 PolarHBondContact O-N 2.71Å |
| 141 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -61 | 133.7 | -175 | -81.5 | 176.1 | 0 | 0 | 0 | 112.4 | L120 L123 L137 P138 V139 K164 L165 | L120-L141 HydrophobicContact CD2-CD2 4.08Å; L120-L141 HydrophobicContact CG-CD2 4.11Å; L120-L141 WeakPolarHBondContact O-CA 3.45Å; L120-L141 PolarHBondContact O-N 2.87Å; L123-L141 HydrophobicContact CB-CD2 3.84Å; L137-L141 HydrophobicContact CB-CD1 4.12Å; L137-L141 HydrophobicContact CD2-CD1 4.2Å; P138-L141 HydrophobicContact CB-CG 4.48Å; P138-L141 HydrophobicContact CG-CD1 4Å; P138-L141 HydrophobicContact CG-CD2 4.43Å; P138-L141 HydrophobicContact CG-CG 3.89Å; P138-L141 WeakPolarHBondContact O-CB 3.31Å; P138-L141 WeakPolarHBondContact O-CG 3.19Å; P138-L141 PolarHBondContact O-N 3.2Å; V139-L141 VanDerWaalsContact C-N 3.32Å; L141-K164 CarbonylContact O-C 3.04Å; L141-K164 WeakPolarHBondContact O-CB 3.42Å; L141-L165 HydrophobicContact CB-CD1 3.99Å; L141-L165 VanDerWaalsContact O-CA 3.28Å; L141-L165 WeakPolarHBondContact O-CA 3.44Å; L141-L165 PolarHBondContact O-N 3.34Å | ||
| 142 | E | 98.8 | Very high | 97.7 | Very high | 70 Ų | 70 | 38.8 Ų | 38.8 | 33% | 0.327 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -107.7 | -44.9 | 173.4 | -67.6 | 176.9 | -160.8 | 0 | 0 | 110.5 | A121 S140 K164 L165 N166 L167 | A121-E142 HydrophobicContact CB-CB 4.42Å; A121-E142 HydrophobicContact CB-CG 4.26Å; A121-E142 WeakPolarHBondContact O-CA 3.37Å; A121-E142 PolarHBondContact O-N 2.92Å; S140-E142 PolarHBondContact O-N 2.71Å; E142-K164 WeakPolarHBondContact CA-O 3.2Å; E142-K164 HydrophobicContact CG-CB 4.02Å; E142-L165 CarbonylContact O-C 3.59Å; E142-L165 WeakPolarHBondContact O-CA 3.12Å; E142-L165 WeakPolarHBondContact O-CD1 3.39Å; E142-N166 PolarHBondContact O-N 3.44Å; E142-L167 PolarHBondContact O-N 3.34Å |
| 143 | H | 98.9 | Very high | 97.7 | Very high | 44 Ų | 44 | 43.3 Ų | 43.3 | 20% | 0.204 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 128.6 | 176.9 | -53.7 | 164.4 | 0 | 0 | 0 | 111.7 | A121 H122 L123 Y124 N166 L167 | A121-H143 PolarHBondContact O-N 2.84Å; H122-H143 AromaticContact CE1-CE1 3.51Å; H122-H143 AromaticContact CE1-CG 3.63Å; H122-H143 AromaticContact CE1-ND1 3.22Å; H122-H143 PolarHBondContact CE1-ND1 2.85Å; H122-H143 WeakPolarHBondContact ND1-CB 3.5Å; H122-H143 AromaticContact ND1-CE1 3.83Å; H122-H143 AromaticContact ND1-CG 3.25Å; H122-H143 AromaticContact ND1-ND1 3.07Å; H122-H143 PolarHBondContact ND1-ND1 2.99Å; L123-H143 PolarHBondContact N-O 3.38Å; L123-H143 VanDerWaalsContact N-O 3.09Å; Y124-H143 HydrophobicContact CE1-CB 4.39Å; H143-N166 PolarHBondContact CD2-OD1 3.3Å; H143-N166 PolarHBondContact NE2-OD1 2.81Å; H143-N166 VanDerWaalsContact NE2-OD1 3.08Å; H143-L167 HydrophobicContact CB-CB 4.35Å; H143-L167 HydrophobicContact CB-CD2 4.47Å |
| 144 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 118.2 | 172.2 | 178.9 | 58.2 | 0 | 0 | 0 | 109.8 | L123 L137 L146 F159 L165 L167 L168 D169 | L123-L144 HydrophobicContact CB-CD1 4.2Å; L123-L144 HydrophobicContact CD2-CD1 4.02Å; L123-L144 HydrophobicContact CG-CD1 4.19Å; L137-L144 HydrophobicContact CD1-CD2 3.68Å; L137-L144 HydrophobicContact CD2-CD2 4.34Å; L144-L146 HydrophobicContact CD1-CD1 4.16Å; L144-L146 HydrophobicContact CD1-CD2 3.99Å; L144-L146 HydrophobicContact CD1-CG 3.9Å; L144-L146 HydrophobicContact CD2-CD1 3.97Å; L144-L146 HydrophobicContact CD2-CG 4.5Å; L144-L146 HydrophobicContact CG-CD1 4Å; L144-L146 HydrophobicContact CG-CG 3.97Å; L144-F159 HydrophobicContact CD2-CE1 4.15Å; L144-L165 HydrophobicContact CB-CD1 3.86Å; L144-L167 PolarHBondContact N-O 2.83Å; L144-L168 HydrophobicContact CB-CD1 4.17Å; L144-L168 HydrophobicContact CD2-CD1 3.9Å; L144-L168 HydrophobicContact CG-CD1 4.09Å; L144-D169 PolarHBondContact O-N 3.02Å |
| 145 | R | 98.9 | Very high | 97.7 | Very high | 88 Ų | 88 | 44.5 Ų | 44.5 | 33% | 0.332 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 117.5 | 177.3 | -62.4 | -172.3 | 173.6 | 174.1 | -2.2 | 111.2 | L123 Y124 M125 D126 L167 D169 | L123-R145 PolarHBondContact O-N 2.93Å; Y124-R145 HydrophobicContact CD1-CB 3.86Å; Y124-R145 HydrophobicContact CD1-CG 3.79Å; Y124-R145 HydrophobicContact CE1-CG 4.09Å; M125-R145 PolarHBondContact N-O 3.09Å; D126-R145 WeakPolarHBondContact OD1-CB 3.49Å; D126-R145 WeakPolarHBondContact OD2-CB 3.08Å; R145-L167 HydrophobicContact CG-CD2 4.07Å; R145-D169 HydrophobicContact CB-CB 4.37Å; R145-D169 HydrophobicContact CG-CB 4.11Å |
| 146 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -130 | 25.5 | -176.5 | -60.5 | 176.5 | 0 | 0 | 0 | 110.5 | M125 L130 V133 L144 N149 I151 D169 L170 N173 | M125-L146 HydrophobicContact CB-CD2 3.91Å; M125-L146 HydrophobicContact CG-CD2 4.38Å; M125-L146 HydrophobicContact SD-CD2 4.39Å; L130-L146 HydrophobicContact CD1-CD2 3.89Å; V133-L146 HydrophobicContact CB-CD1 4.43Å; V133-L146 HydrophobicContact CG1-CD1 4.07Å; V133-L146 HydrophobicContact CG2-CD1 4.08Å; L144-L146 HydrophobicContact CD1-CD1 4.16Å; L144-L146 HydrophobicContact CD1-CD2 3.99Å; L144-L146 HydrophobicContact CD1-CG 3.9Å; L144-L146 HydrophobicContact CD2-CD1 3.97Å; L144-L146 HydrophobicContact CD2-CG 4.5Å; L144-L146 HydrophobicContact CG-CD1 4Å; L144-L146 HydrophobicContact CG-CG 3.97Å; L146-N149 PolarHBondContact O-ND2 3.26Å; L146-I151 HydrophobicContact CB-CD1 3.79Å; L146-I151 HydrophobicContact CD1-CD1 3.97Å; L146-I151 HydrophobicContact CG-CD1 4.41Å; L146-D169 CarbonylContact C-O 3.58Å; L146-D169 WeakPolarHBondContact CA-O 3.48Å; L146-D169 PolarHBondContact N-O 2.55Å; L146-L170 HydrophobicContact CB-CD2 4.02Å; L146-L170 HydrophobicContact CD1-CD2 4.07Å; L146-N173 PolarHBondContact O-ND2 3.04Å | ||
| 147 | S | 98.9 | Very high | 97.7 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.014 | 22% | 0.223 | C | C | . | . | trans | -65.9 | 154.4 | -176.1 | 72.2 | 0 | 0 | 0 | 0 | 111.7 | D126 D127 N149 Q171 | D126-S147 CarbonylContact C-O 3.45Å; D126-S147 WeakPolarHBondContact CA-O 3.33Å; D126-S147 VanDerWaalsContact CG-OG 3.29Å; D126-S147 VanDerWaalsContact OD1-CB 3.28Å; D126-S147 WeakPolarHBondContact OD1-CB 3.34Å; D126-S147 PolarHBondContact OD1-N 3.38Å; D126-S147 PolarHBondContact OD1-OG 3.18Å; D127-S147 PolarHBondContact N-O 2.83Å; S147-N149 VanDerWaalsContact C-N 3.32Å; S147-N149 PolarHBondContact O-N 3.15Å; S147-N149 PolarHBondContact O-ND2 3.13Å; S147-Q171 CarbonylContact C-O 3.41Å; S147-Q171 WeakPolarHBondContact CA-O 3.47Å; S147-Q171 WeakPolarHBondContact CB-O 3.13Å | ||
| 148 | R | 98.9 | Very high | 97.7 | Very high | 105 Ų | 105 | 43.1 Ų | 43.1 | 40% | 0.396 | 22% | 0.224 | S | C | . | . | S | Bend | trans | 53.8 | 46.6 | 176.7 | -61.3 | -179.9 | -60.8 | -66.9 | -6.3 | 112.9 | D127 Q171 G172 | D127-R148 WeakPolarHBondContact CA-O 3.27Å; D127-R148 VanDerWaalsContact CG-NE 3.29Å; D127-R148 WeakPolarHBondContact OD1-CB 3.16Å; D127-R148 WeakPolarHBondContact OD1-CD 3.35Å; D127-R148 IonicContact OD1-CZ 3.69Å; D127-R148 IonicContact OD1-NE 2.85Å; D127-R148 PolarHBondContact OD1-NE 3.08Å; D127-R148 IonicContact OD1-NH2 2.71Å; D127-R148 IonicContact OD2-CZ 2.95Å; D127-R148 IonicContact OD2-NE 3.9Å; D127-R148 PolarHBondContact OD2-NE 3.12Å; D127-R148 IonicContact OD2-NH2 3.66Å; D127-R148 PolarHBondContact OD2-NH2 2.88Å; R148-Q171 PolarHBondContact N-O 3.26Å; R148-G172 VanDerWaalsContact CA-O 3.29Å; R148-G172 WeakPolarHBondContact CA-O 3.25Å |
| 149 | N | 98.9 | Very high | 97.8 | Very high | 12 Ų | 12 | 43 Ų | 43 | 6% | 0.064 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -107.7 | -158.3 | 170.5 | -86.2 | -84.7 | 0 | 0 | 0 | 109.9 | M125 N128 L129 L130 L146 S147 I151 N173 | M125-N149 PolarHBondContact O-ND2 3.39Å; N128-N149 VanDerWaalsContact CA-OD1 3.23Å; N128-N149 WeakPolarHBondContact CA-OD1 3.42Å; N128-N149 WeakPolarHBondContact CB-OD1 3.3Å; N128-N149 PolarHBondContact N-OD1 3.3Å; N128-N149 PolarHBondContact O-OD1 3.44Å; L129-N149 PolarHBondContact N-OD1 3.27Å; L130-N149 HydrophobicContact CB-CB 4.21Å; L130-N149 WeakPolarHBondContact CB-OD1 3.27Å; L130-N149 WeakPolarHBondContact CG-OD1 3.11Å; L130-N149 PolarHBondContact N-OD1 3Å; L146-N149 PolarHBondContact O-ND2 3.26Å; S147-N149 VanDerWaalsContact C-N 3.32Å; S147-N149 PolarHBondContact O-N 3.15Å; S147-N149 PolarHBondContact O-ND2 3.13Å; N149-I151 HydrophobicContact CB-CD1 4.16Å; N149-I151 HydrophobicContact CB-CG1 3.98Å; N149-N173 VanDerWaalsContact CA-OD1 3.27Å; N149-N173 WeakPolarHBondContact CA-OD1 3.43Å; N149-N173 WeakPolarHBondContact CB-OD1 3.2Å; N149-N173 PolarHBondContact N-OD1 3.03Å; N149-N173 PolarHBondContact O-OD1 2.95Å |
| 150 | R | 98.8 | Very high | 97.8 | Very high | 135 Ų | 135 | 42.9 Ų | 42.9 | 51% | 0.509 | 22% | 0.222 | S | C | . | . | trans | -119.6 | 25.9 | 175.4 | -58.4 | 176.6 | 178.6 | -175.2 | -0.8 | 111.1 | L130 S152 N173 K174 | L130-R150 CarbonylContact O-C 3.11Å; L130-R150 WeakPolarHBondContact O-CA 3.37Å; L130-R150 WeakPolarHBondContact O-CB 3.5Å; L130-R150 PolarHBondContact O-N 3.36Å; R150-S152 PolarHBondContact O-N 3.05Å; R150-N173 PolarHBondContact N-OD1 3.29Å; R150-K174 HydrophobicContact CB-CD 4.45Å | ||
| 151 | I | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -66.4 | 119.4 | -171.5 | -63.3 | 170.4 | 0 | 0 | 0 | 109 | L130 S131 V133 L146 N149 K153 L170 N173 K174 L175 | L130-I151 HydrophobicContact CB-CD1 4.39Å; L130-I151 HydrophobicContact CB-CG1 4.07Å; L130-I151 PolarHBondContact O-N 2.95Å; L130-I151 VanDerWaalsContact O-N 3.08Å; S131-I151 WeakPolarHBondContact O-CA 3.35Å; V133-I151 HydrophobicContact CG2-CD1 4.41Å; V133-I151 HydrophobicContact CG2-CG2 4.15Å; L146-I151 HydrophobicContact CB-CD1 3.79Å; L146-I151 HydrophobicContact CD1-CD1 3.97Å; L146-I151 HydrophobicContact CG-CD1 4.41Å; N149-I151 HydrophobicContact CB-CD1 4.16Å; N149-I151 HydrophobicContact CB-CG1 3.98Å; I151-K153 WeakPolarHBondContact CG2-O 3.38Å; I151-L170 HydrophobicContact CD1-CD2 3.97Å; I151-N173 HydrophobicContact CB-CB 4.17Å; I151-N173 VanDerWaalsContact CB-OD1 3.3Å; I151-N173 WeakPolarHBondContact CB-OD1 3.15Å; I151-N173 WeakPolarHBondContact CG1-OD1 3.46Å; I151-N173 PolarHBondContact N-OD1 3.08Å; I151-K174 CarbonylContact O-C 3.45Å; I151-K174 VanDerWaalsContact O-C 3.22Å; I151-K174 WeakPolarHBondContact O-CA 3.29Å; I151-K174 PolarHBondContact O-N 3.22Å; I151-L175 HydrophobicContact CG2-CD2 4.07Å; I151-L175 PolarHBondContact O-N 3.07Å | ||
| 152 | S | 98.4 | Very high | 97.6 | Very high | 62 Ų | 62 | 43.8 Ų | 43.8 | 43% | 0.434 | 23% | 0.233 | S | C | . | . | trans | -112.9 | -5.2 | 173.8 | 62.8 | 0 | 0 | 0 | 0 | 112.7 | S131 R150 | S131-S152 PolarHBondContact O-N 2.92Å; R150-S152 PolarHBondContact O-N 3.05Å | ||
| 153 | K | 96.9 | Very high | 97.5 | Very high | 133 Ų | 133 | 44.8 Ų | 44.8 | 58% | 0.578 | 24% | 0.241 | S | C | * | . | B | Isolated β-bridge | trans | -141.7 | 136 | -177.8 | -172.2 | 174.4 | -178.7 | 177.4 | 0 | 111.9 | T132 V133 I151 | T132-K153 WeakPolarHBondContact CA-O 3.44Å; T132-K153 PolarHBondContact OG1-O 3.17Å; V133-K153 PolarHBondContact N-O 3.13Å; I151-K153 WeakPolarHBondContact CG2-O 3.38Å |
| 154 | I | 98.3 | Very high | 97.4 | Very high | 6 Ų | 6 | 48.4 Ų | 48.4 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | trans | -104.6 | 113.6 | 164.7 | -56.8 | 176.7 | 0 | 0 | 0 | 106.5 | V133 V158 F159 L170 L175 G179 V180 L185 | V133-I154 HydrophobicContact CG2-CB 4.4Å; V133-I154 HydrophobicContact CG2-CG1 3.98Å; V133-I154 HydrophobicContact CG2-CG2 4.37Å; I154-V158 HydrophobicContact CG2-CG1 3.73Å; I154-F159 HydrophobicContact CG2-CD2 4.42Å; I154-F159 HydrophobicContact CG2-CE2 3.55Å; I154-F159 HydrophobicContact CG2-CZ 3.97Å; I154-L170 HydrophobicContact CD1-CD1 3.83Å; I154-L175 HydrophobicContact CD1-CD1 4.36Å; I154-L175 HydrophobicContact CD1-CD2 4.28Å; I154-L175 HydrophobicContact CG1-CD2 3.9Å; I154-G179 WeakPolarHBondContact CB-O 3.39Å; I154-G179 WeakPolarHBondContact CG1-O 3.13Å; I154-V180 HydrophobicContact CD1-CG2 4.26Å; I154-L185 HydrophobicContact CD1-CD2 4.09Å | ||
| 155 | P | 96.6 | Very high | 97.4 | Very high | 29 Ų | 29 | 48.4 Ų | 48.4 | 19% | 0.188 | 26% | 0.256 | C | S | . | . | trans | -58.9 | 140.9 | 178.7 | -22.4 | 33.5 | 0 | 0 | 0 | 111.6 | T132 G157 V158 | T132-P155 WeakPolarHBondContact OG1-CD 3.39Å; T132-P155 WeakPolarHBondContact OG1-CG 3.23Å; P155-G157 PolarHBondContact O-N 3.08Å; P155-V158 HydrophobicContact CB-CB 4.22Å; P155-V158 WeakPolarHBondContact O-CB 3.46Å; P155-V158 VanDerWaalsContact O-CG1 3.3Å; P155-V158 WeakPolarHBondContact O-CG1 3.34Å; P155-V158 PolarHBondContact O-N 3.43Å | ||
| 156 | A | 94.9 | Very high | 97.4 | Very high | 76 Ų | 76 | 46.5 Ų | 46.5 | 63% | 0.628 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 128.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V158 V183 | A156-V158 PolarHBondContact O-N 3.43Å; A156-V183 HydrophobicContact CB-CG1 3.71Å |
| 157 | G | 93.7 | Very high | 97.4 | Very high | 26 Ų | 26 | 47.2 Ų | 47.2 | 27% | 0.268 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 13.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | P155 F159 V160 V183 | P155-G157 PolarHBondContact O-N 3.08Å; G157-F159 PolarHBondContact O-N 2.87Å; G157-F159 VanDerWaalsContact O-N 3.09Å; G157-V160 WeakPolarHBondContact O-CB 3.42Å; G157-V160 WeakPolarHBondContact O-CG2 3.39Å; G157-V160 PolarHBondContact O-N 3.25Å; G157-V183 PolarHBondContact N-O 3.43Å |
| 158 | V | 96.8 | Very high | 97.4 | Very high | 12 Ų | 12 | 47.1 Ų | 47.1 | 7% | 0.073 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -22.9 | 178.8 | 69.6 | 0 | 0 | 0 | 0 | 113.3 | V133 P134 L137 I154 P155 A156 | V133-V158 HydrophobicContact CG1-CG1 4.23Å; V133-V158 HydrophobicContact CG1-CG2 4.11Å; P134-V158 WeakPolarHBondContact O-CG2 3.48Å; L137-V158 HydrophobicContact CD1-CG2 4.03Å; L137-V158 HydrophobicContact CG-CG2 4.24Å; I154-V158 HydrophobicContact CG2-CG1 3.73Å; P155-V158 HydrophobicContact CB-CB 4.22Å; P155-V158 WeakPolarHBondContact O-CB 3.46Å; P155-V158 VanDerWaalsContact O-CG1 3.3Å; P155-V158 WeakPolarHBondContact O-CG1 3.34Å; P155-V158 PolarHBondContact O-N 3.43Å; A156-V158 PolarHBondContact O-N 3.43Å |
| 159 | F | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 4.6 | 178.8 | -51.9 | -56.4 | 0 | 0 | 0 | 114.1 | V133 L137 L144 I154 G157 G161 L162 L165 L168 S184 L185 G187 L188 | V133-F159 HydrophobicContact CG1-CE1 4.22Å; V133-F159 HydrophobicContact CG1-CZ 4.33Å; L137-F159 HydrophobicContact CD1-CD1 3.93Å; L137-F159 HydrophobicContact CD1-CE1 3.88Å; L144-F159 HydrophobicContact CD2-CE1 4.15Å; I154-F159 HydrophobicContact CG2-CD2 4.42Å; I154-F159 HydrophobicContact CG2-CE2 3.55Å; I154-F159 HydrophobicContact CG2-CZ 3.97Å; G157-F159 PolarHBondContact O-N 2.87Å; G157-F159 VanDerWaalsContact O-N 3.09Å; F159-G161 PolarHBondContact O-N 3.01Å; F159-L162 HydrophobicContact CB-CD1 4.28Å; F159-L162 HydrophobicContact CD1-CD1 3.82Å; F159-L162 WeakPolarHBondContact O-CB 3.42Å; F159-L162 PolarHBondContact O-N 3.31Å; F159-L162 VanDerWaalsContact O-N 3.13Å; F159-L165 HydrophobicContact CD1-CD2 4.28Å; F159-L168 HydrophobicContact CE1-CD1 4.33Å; F159-L168 HydrophobicContact CE1-CD2 4.29Å; F159-L168 HydrophobicContact CE2-CD2 4.01Å; F159-L168 HydrophobicContact CZ-CD1 4.25Å; F159-L168 HydrophobicContact CZ-CD2 3.7Å; F159-S184 WeakPolarHBondContact CD2-O 3.5Å; F159-L185 HydrophobicContact CE2-CD2 4.18Å; F159-G187 CarbonylContact O-C 3.44Å; F159-G187 WeakPolarHBondContact O-CA 3.4Å; F159-L188 HydrophobicContact CB-CD2 3.64Å; F159-L188 HydrophobicContact CB-CG 3.92Å; F159-L188 HydrophobicContact CD1-CD2 4.1Å; F159-L188 HydrophobicContact CD2-CD1 3.93Å; F159-L188 HydrophobicContact CD2-CD2 3.89Å; F159-L188 HydrophobicContact CD2-CG 3.91Å; F159-L188 HydrophobicContact CE2-CD1 4.3Å; F159-L188 HydrophobicContact CG-CD1 4.49Å; F159-L188 HydrophobicContact CG-CD2 3.62Å; F159-L188 HydrophobicContact CG-CG 4.04Å |
| 160 | V | 96 | Very high | 97.4 | Very high | 88 Ų | 88 | 42.6 Ų | 42.6 | 53% | 0.533 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | 126.4 | 178.7 | 171.2 | 0 | 0 | 0 | 0 | 110.3 | G157 L162 K186 | G157-V160 WeakPolarHBondContact O-CB 3.42Å; G157-V160 WeakPolarHBondContact O-CG2 3.39Å; G157-V160 PolarHBondContact O-N 3.25Å; V160-L162 VanDerWaalsContact C-N 3.3Å; V160-K186 HydrophobicContact CG2-CG 4.48Å |
| 161 | G | 94.7 | Very high | 97.4 | Very high | 29 Ų | 29 | 37.6 Ų | 37.6 | 30% | 0.299 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 3.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | F159 D163 | F159-G161 PolarHBondContact O-N 3.01Å; G161-D163 PolarHBondContact O-N 3.26Å |
| 162 | L | 96.5 | Very high | 97.4 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | trans | -81.2 | 55 | 172.4 | -56.3 | -166.1 | 0 | 0 | 0 | 111.3 | L137 P138 V139 F159 V160 K164 L165 | L137-L162 HydrophobicContact CB-CD1 3.99Å; L137-L162 HydrophobicContact CB-CD2 4.28Å; L137-L162 HydrophobicContact CD1-CD1 3.84Å; P138-L162 WeakPolarHBondContact O-CD2 3.45Å; V139-L162 HydrophobicContact CG1-CD2 4.46Å; F159-L162 HydrophobicContact CB-CD1 4.28Å; F159-L162 HydrophobicContact CD1-CD1 3.82Å; F159-L162 WeakPolarHBondContact O-CB 3.42Å; F159-L162 PolarHBondContact O-N 3.31Å; F159-L162 VanDerWaalsContact O-N 3.13Å; V160-L162 VanDerWaalsContact C-N 3.3Å; L162-K164 PolarHBondContact O-N 3.45Å; L162-L165 HydrophobicContact CB-CB 4.01Å; L162-L165 HydrophobicContact CD1-CD2 4.13Å; L162-L165 WeakPolarHBondContact O-CB 3.34Å; L162-L165 PolarHBondContact O-N 3.3Å | ||
| 163 | D | 96.2 | Very high | 97.4 | Very high | 92 Ų | 92 | 36 Ų | 36 | 49% | 0.492 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -5.7 | -171.7 | -63.6 | -46 | 0 | 0 | 0 | 114.2 | G161 T189 S190 | G161-D163 PolarHBondContact O-N 3.26Å; D163-T189 PolarHBondContact OD1-OG1 2.82Å; D163-S190 WeakPolarHBondContact O-CB 3.18Å; D163-S190 PolarHBondContact O-OG 3.18Å |
| 164 | K | 98.1 | Very high | 97.5 | Very high | 119 Ų | 119 | 34.7 Ų | 34.7 | 52% | 0.517 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -10.7 | 176.2 | -62.3 | -173.8 | -179.3 | -176.3 | 0 | 113.4 | L141 E142 L162 N166 | L141-K164 CarbonylContact O-C 3.04Å; L141-K164 WeakPolarHBondContact O-CB 3.42Å; E142-K164 WeakPolarHBondContact CA-O 3.2Å; E142-K164 HydrophobicContact CG-CB 4.02Å; L162-K164 PolarHBondContact O-N 3.45Å; K164-N166 PolarHBondContact O-N 2.83Å |
| 165 | L | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -70.7 | 108.3 | -173.1 | -169.4 | 77.3 | 0 | 0 | 0 | 109.5 | L141 E142 L144 F159 L162 L188 S190 L191 | L141-L165 HydrophobicContact CB-CD1 3.99Å; L141-L165 VanDerWaalsContact O-CA 3.28Å; L141-L165 WeakPolarHBondContact O-CA 3.44Å; L141-L165 PolarHBondContact O-N 3.34Å; E142-L165 CarbonylContact O-C 3.59Å; E142-L165 WeakPolarHBondContact O-CA 3.12Å; E142-L165 WeakPolarHBondContact O-CD1 3.39Å; L144-L165 HydrophobicContact CB-CD1 3.86Å; F159-L165 HydrophobicContact CD1-CD2 4.28Å; L162-L165 HydrophobicContact CB-CB 4.01Å; L162-L165 HydrophobicContact CD1-CD2 4.13Å; L162-L165 WeakPolarHBondContact O-CB 3.34Å; L162-L165 PolarHBondContact O-N 3.3Å; L165-L188 HydrophobicContact CD2-CD2 3.59Å; L165-S190 CarbonylContact O-C 3.46Å; L165-L191 WeakPolarHBondContact O-CA 3.39Å; L165-L191 PolarHBondContact O-N 2.78Å | ||
| 166 | N | 98.6 | Very high | 97.6 | Very high | 49 Ų | 49 | 37.4 Ų | 37.4 | 26% | 0.262 | 22% | 0.218 | S | C | . | . | trans | -105.6 | -19.8 | -177.6 | 71 | 46.1 | 0 | 0 | 0 | 112.5 | E142 H143 K164 V192 Q193 | E142-N166 PolarHBondContact O-N 3.44Å; H143-N166 PolarHBondContact CD2-OD1 3.3Å; H143-N166 PolarHBondContact NE2-OD1 2.81Å; H143-N166 VanDerWaalsContact NE2-OD1 3.08Å; K164-N166 PolarHBondContact O-N 2.83Å; N166-V192 HydrophobicContact CB-CG2 4.16Å; N166-V192 PolarHBondContact O-N 3.42Å; N166-Q193 PolarHBondContact O-N 3.03Å | ||
| 167 | L | 98.9 | Very high | 97.8 | Very high | 14 Ų | 14 | 36.5 Ų | 36.5 | 7% | 0.073 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 123.1 | 179.8 | -174.1 | 156.7 | 0 | 0 | 0 | 111 | E142 H143 L144 R145 D169 Q193 | E142-L167 PolarHBondContact O-N 3.34Å; H143-L167 HydrophobicContact CB-CB 4.35Å; H143-L167 HydrophobicContact CB-CD2 4.47Å; L144-L167 PolarHBondContact N-O 2.83Å; R145-L167 HydrophobicContact CG-CD2 4.07Å; L167-D169 HydrophobicContact CD2-CB 4.21Å; L167-Q193 WeakPolarHBondContact CA-O 3.2Å |
| 168 | L | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 114.5 | 172.3 | 178 | 59.3 | 0 | 0 | 0 | 110.2 | L144 F159 L170 L188 L191 Q193 I194 N195 | L144-L168 HydrophobicContact CB-CD1 4.17Å; L144-L168 HydrophobicContact CD2-CD1 3.9Å; L144-L168 HydrophobicContact CG-CD1 4.09Å; F159-L168 HydrophobicContact CE1-CD1 4.33Å; F159-L168 HydrophobicContact CE1-CD2 4.29Å; F159-L168 HydrophobicContact CE2-CD2 4.01Å; F159-L168 HydrophobicContact CZ-CD1 4.25Å; F159-L168 HydrophobicContact CZ-CD2 3.7Å; L168-L170 HydrophobicContact CD1-CD1 4.13Å; L168-L170 HydrophobicContact CD1-CG 4.12Å; L168-L170 HydrophobicContact CD2-CD1 3.9Å; L168-L170 HydrophobicContact CG-CD1 3.95Å; L168-L170 HydrophobicContact CG-CG 4.23Å; L168-L188 HydrophobicContact CD2-CD1 4.21Å; L168-L191 HydrophobicContact CB-CD1 3.85Å; L168-Q193 PolarHBondContact N-O 3.37Å; L168-I194 HydrophobicContact CB-CG1 4.44Å; L168-I194 HydrophobicContact CD2-CD1 4.14Å; L168-I194 HydrophobicContact CD2-CG1 4.44Å; L168-I194 WeakPolarHBondContact O-CA 2.99Å; L168-N195 PolarHBondContact O-N 2.96Å |
| 169 | D | 98.9 | Very high | 97.8 | Very high | 22 Ų | 22 | 40.9 Ų | 40.9 | 12% | 0.118 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 113.3 | 176.3 | -165.1 | -13.2 | 0 | 0 | 0 | 111.3 | L144 R145 L146 L167 Q171 N195 | L144-D169 PolarHBondContact O-N 3.02Å; R145-D169 HydrophobicContact CB-CB 4.37Å; R145-D169 HydrophobicContact CG-CB 4.11Å; L146-D169 CarbonylContact C-O 3.58Å; L146-D169 WeakPolarHBondContact CA-O 3.48Å; L146-D169 PolarHBondContact N-O 2.55Å; L167-D169 HydrophobicContact CD2-CB 4.21Å; D169-Q171 WeakPolarHBondContact OD1-CB 3.09Å; D169-Q171 PolarHBondContact OD1-N 3.37Å; D169-N195 HydrophobicContact CB-CB 4.46Å; D169-N195 WeakPolarHBondContact OD1-CB 3.14Å; D169-N195 PolarHBondContact OD1-ND2 3.25Å |
| 170 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -121.8 | 20.3 | 178.3 | -74.4 | 163.8 | 0 | 0 | 0 | 111.3 | V133 L146 I151 I154 L168 N173 L175 N195 L196 N199 | V133-L170 HydrophobicContact CG2-CD2 4.11Å; L146-L170 HydrophobicContact CB-CD2 4.02Å; L146-L170 HydrophobicContact CD1-CD2 4.07Å; I151-L170 HydrophobicContact CD1-CD2 3.97Å; I154-L170 HydrophobicContact CD1-CD1 3.83Å; L168-L170 HydrophobicContact CD1-CD1 4.13Å; L168-L170 HydrophobicContact CD1-CG 4.12Å; L168-L170 HydrophobicContact CD2-CD1 3.9Å; L168-L170 HydrophobicContact CG-CD1 3.95Å; L168-L170 HydrophobicContact CG-CG 4.23Å; L170-N173 PolarHBondContact O-ND2 2.86Å; L170-L175 HydrophobicContact CB-CD1 4.04Å; L170-L175 HydrophobicContact CD1-CD1 4.13Å; L170-L175 HydrophobicContact CD2-CD1 4.5Å; L170-L175 HydrophobicContact CG-CD1 4.47Å; L170-N195 CarbonylContact C-O 3.54Å; L170-N195 WeakPolarHBondContact CA-O 3.41Å; L170-N195 PolarHBondContact N-O 2.97Å; L170-L196 HydrophobicContact CB-CD2 3.99Å; L170-L196 HydrophobicContact CD1-CD2 4.09Å; L170-N199 PolarHBondContact O-ND2 3.5Å | ||
| 171 | Q | 98.9 | Very high | 97.7 | Very high | 30 Ų | 30 | 39.6 Ų | 39.6 | 14% | 0.14 | 21% | 0.213 | C | C | . | . | trans | -59.5 | 141.9 | -178 | -179.4 | -96.7 | -12.9 | 0 | 0 | 112.7 | S147 R148 D169 N195 A197 | S147-Q171 CarbonylContact C-O 3.41Å; S147-Q171 WeakPolarHBondContact CA-O 3.47Å; S147-Q171 WeakPolarHBondContact CB-O 3.13Å; R148-Q171 PolarHBondContact N-O 3.26Å; D169-Q171 WeakPolarHBondContact OD1-CB 3.09Å; D169-Q171 PolarHBondContact OD1-N 3.37Å; Q171-N195 WeakPolarHBondContact CB-ND2 3.29Å; Q171-N195 PolarHBondContact N-O 3.41Å; Q171-A197 CarbonylContact C-O 3.21Å; Q171-A197 WeakPolarHBondContact CA-O 3.47Å; Q171-A197 HydrophobicContact CG-CB 4.03Å | ||
| 172 | G | 98.9 | Very high | 97.8 | Very high | 19 Ų | 19 | 44 Ų | 44 | 20% | 0.196 | 23% | 0.225 | C | C | . | . | S | Bend | trans | 69.3 | 41.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R148 A197 K198 | R148-G172 VanDerWaalsContact CA-O 3.29Å; R148-G172 WeakPolarHBondContact CA-O 3.25Å; G172-A197 PolarHBondContact N-O 3.04Å; G172-K198 CarbonylContact C-O 3.21Å; G172-K198 WeakPolarHBondContact CA-O 3.32Å; G172-K198 PolarHBondContact N-O 2.88Å |
| 173 | N | 98.9 | Very high | 97.7 | Very high | 10 Ų | 10 | 48.1 Ų | 48.1 | 5% | 0.053 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -113.6 | -161.9 | 178.1 | -86 | -68.8 | 0 | 0 | 0 | 110.7 | L146 N149 R150 I151 L170 L175 K198 N199 | L146-N173 PolarHBondContact O-ND2 3.04Å; N149-N173 VanDerWaalsContact CA-OD1 3.27Å; N149-N173 WeakPolarHBondContact CA-OD1 3.43Å; N149-N173 WeakPolarHBondContact CB-OD1 3.2Å; N149-N173 PolarHBondContact N-OD1 3.03Å; N149-N173 PolarHBondContact O-OD1 2.95Å; R150-N173 PolarHBondContact N-OD1 3.29Å; I151-N173 HydrophobicContact CB-CB 4.17Å; I151-N173 VanDerWaalsContact CB-OD1 3.3Å; I151-N173 WeakPolarHBondContact CB-OD1 3.15Å; I151-N173 WeakPolarHBondContact CG1-OD1 3.46Å; I151-N173 PolarHBondContact N-OD1 3.08Å; L170-N173 PolarHBondContact O-ND2 2.86Å; N173-L175 HydrophobicContact CB-CG 4.48Å; N173-K198 PolarHBondContact N-O 3.33Å; N173-N199 VanDerWaalsContact CA-OD1 3.24Å; N173-N199 WeakPolarHBondContact CA-OD1 3.28Å; N173-N199 WeakPolarHBondContact CB-OD1 3.5Å; N173-N199 PolarHBondContact N-OD1 2.91Å; N173-N199 PolarHBondContact O-OD1 2.75Å |
| 174 | K | 98.8 | Very high | 97.7 | Very high | 106 Ų | 106 | 43.9 Ų | 43.9 | 46% | 0.461 | 23% | 0.228 | S | C | . | . | trans | -117.9 | 29.4 | 180 | -60.3 | -173.3 | 176.8 | -169.4 | 0 | 111.6 | R150 I151 N199 | R150-K174 HydrophobicContact CB-CD 4.45Å; I151-K174 CarbonylContact O-C 3.45Å; I151-K174 VanDerWaalsContact O-C 3.22Å; I151-K174 WeakPolarHBondContact O-CA 3.29Å; I151-K174 PolarHBondContact O-N 3.22Å; K174-N199 PolarHBondContact N-OD1 2.93Å | ||
| 175 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -70.6 | 133.7 | -179 | -67.6 | 166.2 | 0 | 0 | 0 | 110.4 | I151 I154 L170 N173 V180 L196 N199 Q200 L201 | I151-L175 HydrophobicContact CG2-CD2 4.07Å; I151-L175 PolarHBondContact O-N 3.07Å; I154-L175 HydrophobicContact CD1-CD1 4.36Å; I154-L175 HydrophobicContact CD1-CD2 4.28Å; I154-L175 HydrophobicContact CG1-CD2 3.9Å; L170-L175 HydrophobicContact CB-CD1 4.04Å; L170-L175 HydrophobicContact CD1-CD1 4.13Å; L170-L175 HydrophobicContact CD2-CD1 4.5Å; L170-L175 HydrophobicContact CG-CD1 4.47Å; N173-L175 HydrophobicContact CB-CG 4.48Å; L175-V180 HydrophobicContact CB-CG2 4.01Å; L175-V180 HydrophobicContact CD1-CG2 4.12Å; L175-V180 HydrophobicContact CD2-CG2 4.24Å; L175-V180 HydrophobicContact CG-CG2 4.36Å; L175-L196 HydrophobicContact CD1-CD2 3.76Å; L175-N199 HydrophobicContact CB-CB 4.18Å; L175-N199 WeakPolarHBondContact CB-OD1 3.46Å; L175-N199 PolarHBondContact N-OD1 3.44Å; L175-Q200 CarbonylContact O-C 3.09Å; L175-Q200 WeakPolarHBondContact O-CA 3.44Å; L175-Q200 PolarHBondContact O-N 3.25Å; L175-L201 HydrophobicContact CB-CD2 4.43Å | ||
| 176 | M | 98.5 | Very high | 97.5 | Very high | 92 Ų | 92 | 45 Ų | 45 | 45% | 0.453 | 23% | 0.233 | S | C | . | . | trans | -114 | 175.8 | 169.2 | -64.3 | 176.9 | -177 | 0 | 0 | 108.8 | D178 G179 V180 Q200 | M176-D178 VanDerWaalsContact C-N 3.25Å; M176-D178 WeakPolarHBondContact CB-OD1 3.12Å; M176-D178 PolarHBondContact O-N 2.94Å; M176-G179 WeakPolarHBondContact O-CA 3.34Å; M176-G179 PolarHBondContact O-N 2.8Å; M176-V180 PolarHBondContact O-N 3.3Å; M176-Q200 HydrophobicContact CG-CB 4.03Å | ||
| 177 | D | 97.8 | Very high | 97.2 | Very high | 56 Ų | 56 | 43.5 Ų | 43.5 | 30% | 0.299 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -57.4 | -35.5 | -175.1 | -65.5 | 1.1 | 0 | 0 | 0 | 112.9 | G179 V180 L201 S202 S203 | D177-G179 VanDerWaalsContact C-N 3.27Å; D177-G179 PolarHBondContact O-N 3.34Å; D177-V180 CarbonylContact O-C 3.1Å; D177-V180 PolarHBondContact O-N 3.4Å; D177-L201 WeakPolarHBondContact OD1-CA 3.44Å; D177-S202 PolarHBondContact OD1-N 3.46Å; D177-S203 PolarHBondContact OD1-N 3Å; D177-S203 VanDerWaalsContact OD2-CB 3.25Å; D177-S203 WeakPolarHBondContact OD2-CB 3.35Å; D177-S203 PolarHBondContact OD2-N 2.77Å; D177-S203 PolarHBondContact OD2-OG 3.07Å |
| 178 | D | 96 | Very high | 97.1 | Very high | 126 Ų | 126 | 43 Ų | 43 | 67% | 0.674 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -69.7 | -22.8 | 177.1 | 68.6 | -27.3 | 0 | 0 | 0 | 113.6 | M176 T181 | M176-D178 VanDerWaalsContact C-N 3.25Å; M176-D178 WeakPolarHBondContact CB-OD1 3.12Å; M176-D178 PolarHBondContact O-N 2.94Å; D178-T181 WeakPolarHBondContact O-CG2 3.32Å |
| 179 | G | 94.9 | Very high | 97 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -82.9 | -14.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114 | I154 M176 D177 | I154-G179 WeakPolarHBondContact CB-O 3.39Å; I154-G179 WeakPolarHBondContact CG1-O 3.13Å; M176-G179 WeakPolarHBondContact O-CA 3.34Å; M176-G179 PolarHBondContact O-N 2.8Å; D177-G179 VanDerWaalsContact C-N 3.27Å; D177-G179 PolarHBondContact O-N 3.34Å |
| 180 | V | 96.8 | Very high | 96.9 | Very high | 7 Ų | 7 | 47.8 Ų | 47.8 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -129.2 | 73.9 | -176.2 | -167.8 | 0 | 0 | 0 | 0 | 110.3 | I154 L175 M176 D177 L185 L196 L201 P205 | I154-V180 HydrophobicContact CD1-CG2 4.26Å; L175-V180 HydrophobicContact CB-CG2 4.01Å; L175-V180 HydrophobicContact CD1-CG2 4.12Å; L175-V180 HydrophobicContact CD2-CG2 4.24Å; L175-V180 HydrophobicContact CG-CG2 4.36Å; M176-V180 PolarHBondContact O-N 3.3Å; D177-V180 CarbonylContact O-C 3.1Å; D177-V180 PolarHBondContact O-N 3.4Å; V180-L185 HydrophobicContact CG1-CD1 3.8Å; V180-L185 HydrophobicContact CG1-CD2 4.44Å; V180-L185 HydrophobicContact CG1-CG 4.25Å; V180-L196 HydrophobicContact CG1-CD1 4.12Å; V180-L196 HydrophobicContact CG2-CD2 4.38Å; V180-L201 HydrophobicContact CB-CD2 4.3Å; V180-L201 HydrophobicContact CG2-CD2 3.88Å; V180-P205 HydrophobicContact CG1-CB 3.64Å |
| 181 | T | 95.8 | Very high | 96.9 | Very high | 54 Ų | 54 | 47.8 Ų | 47.8 | 33% | 0.331 | 26% | 0.259 | S | S | . | . | trans | -109.6 | 166.2 | -179.2 | 63.7 | 0 | 0 | 0 | 0 | 112.1 | D178 V183 S184 L185 | D178-T181 WeakPolarHBondContact O-CG2 3.32Å; T181-V183 PolarHBondContact O-N 3.28Å; T181-S184 PolarHBondContact N-OG 2.96Å; T181-S184 PolarHBondContact O-N 3.4Å; T181-S184 PolarHBondContact O-OG 3.01Å; T181-S184 PolarHBondContact OG1-N 3.22Å; T181-L185 PolarHBondContact O-N 3.31Å | ||
| 182 | E | 95.2 | Very high | 96.9 | Very high | 121 Ų | 121 | 49.2 Ų | 49.2 | 57% | 0.565 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -37.2 | 174.2 | -59.4 | -173.7 | 173.9 | 0 | 0 | 112.8 | K186 L206 | E182-K186 PolarHBondContact O-N 2.83Å; E182-K186 VanDerWaalsContact O-N 3.17Å; E182-L206 HydrophobicContact CG-CB 3.66Å |
| 183 | V | 95.6 | Very high | 96.9 | Very high | 89 Ų | 89 | 50.3 Ų | 50.3 | 54% | 0.539 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -36.5 | 178.5 | 176.3 | 0 | 0 | 0 | 0 | 111.4 | A156 G157 T181 K186 | A156-V183 HydrophobicContact CB-CG1 3.71Å; G157-V183 PolarHBondContact N-O 3.43Å; T181-V183 PolarHBondContact O-N 3.28Å; V183-K186 WeakPolarHBondContact O-CB 3.41Å |
| 184 | S | 95.6 | Very high | 96.9 | Very high | 4 Ų | 4 | 49.8 Ų | 49.8 | 3% | 0.028 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -33.3 | -179.6 | 73.7 | 0 | 0 | 0 | 0 | 113.2 | F159 T181 | F159-S184 WeakPolarHBondContact CD2-O 3.5Å; T181-S184 PolarHBondContact N-OG 2.96Å; T181-S184 PolarHBondContact O-N 3.4Å; T181-S184 PolarHBondContact O-OG 3.01Å; T181-S184 PolarHBondContact OG1-N 3.22Å |
| 185 | L | 96.6 | Very high | 96.9 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -92.8 | 0.8 | 179.7 | -61.6 | -172.9 | 0 | 0 | 0 | 113.2 | I154 F159 V180 T181 G187 L188 I194 L208 | I154-L185 HydrophobicContact CD1-CD2 4.09Å; F159-L185 HydrophobicContact CE2-CD2 4.18Å; V180-L185 HydrophobicContact CG1-CD1 3.8Å; V180-L185 HydrophobicContact CG1-CD2 4.44Å; V180-L185 HydrophobicContact CG1-CG 4.25Å; T181-L185 PolarHBondContact O-N 3.31Å; L185-G187 PolarHBondContact O-N 3.4Å; L185-L188 HydrophobicContact CB-CD1 3.98Å; L185-L188 HydrophobicContact CD2-CD1 3.93Å; L185-L188 HydrophobicContact CG-CD1 4.48Å; L185-L188 WeakPolarHBondContact O-CD1 3.19Å; L185-L188 VanDerWaalsContact O-CG 3.29Å; L185-L188 WeakPolarHBondContact O-CG 3.48Å; L185-I194 HydrophobicContact CD2-CD1 4.48Å; L185-L208 HydrophobicContact CD1-CD2 3.85Å |
| 186 | K | 95.4 | Very high | 96.9 | Very high | 139 Ų | 139 | 45.8 Ų | 45.8 | 60% | 0.604 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 131.8 | 177.7 | -173.4 | 177.3 | -179.6 | 178.9 | 0 | 111.2 | V160 E182 V183 | V160-K186 HydrophobicContact CG2-CG 4.48Å; E182-K186 PolarHBondContact O-N 2.83Å; E182-K186 VanDerWaalsContact O-N 3.17Å; V183-K186 WeakPolarHBondContact O-CB 3.41Å |
| 187 | G | 93.9 | Very high | 96.9 | Very high | 18 Ų | 18 | 41.7 Ų | 41.7 | 19% | 0.186 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 104.9 | -7.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115 | F159 L185 T189 | F159-G187 CarbonylContact O-C 3.44Å; F159-G187 WeakPolarHBondContact O-CA 3.4Å; L185-G187 PolarHBondContact O-N 3.4Å; G187-T189 PolarHBondContact O-N 2.94Å |
| 188 | L | 96 | Very high | 97 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | trans | -73.5 | 47.3 | 178 | -65.5 | 175.4 | 0 | 0 | 0 | 113.2 | F159 L165 L168 L185 S190 L191 P209 | F159-L188 HydrophobicContact CB-CD2 3.64Å; F159-L188 HydrophobicContact CB-CG 3.92Å; F159-L188 HydrophobicContact CD1-CD2 4.1Å; F159-L188 HydrophobicContact CD2-CD1 3.93Å; F159-L188 HydrophobicContact CD2-CD2 3.89Å; F159-L188 HydrophobicContact CD2-CG 3.91Å; F159-L188 HydrophobicContact CE2-CD1 4.3Å; F159-L188 HydrophobicContact CG-CD1 4.49Å; F159-L188 HydrophobicContact CG-CD2 3.62Å; F159-L188 HydrophobicContact CG-CG 4.04Å; L165-L188 HydrophobicContact CD2-CD2 3.59Å; L168-L188 HydrophobicContact CD2-CD1 4.21Å; L185-L188 HydrophobicContact CB-CD1 3.98Å; L185-L188 HydrophobicContact CD2-CD1 3.93Å; L185-L188 HydrophobicContact CG-CD1 4.48Å; L185-L188 WeakPolarHBondContact O-CD1 3.19Å; L185-L188 VanDerWaalsContact O-CG 3.29Å; L185-L188 WeakPolarHBondContact O-CG 3.48Å; L188-S190 VanDerWaalsContact C-N 3.26Å; L188-S190 PolarHBondContact O-N 3.14Å; L188-S190 VanDerWaalsContact O-N 3.14Å; L188-L191 HydrophobicContact CB-CB 4.08Å; L188-L191 HydrophobicContact CB-CD2 4.27Å; L188-L191 HydrophobicContact CD1-CD2 3.9Å; L188-L191 HydrophobicContact CD2-CD1 4.36Å; L188-L191 HydrophobicContact CG-CD2 4.5Å; L188-L191 PolarHBondContact O-N 2.81Å; L188-P209 HydrophobicContact CB-CG 4.3Å; L188-P209 VanDerWaalsContact O-CB 3.25Å; L188-P209 WeakPolarHBondContact O-CB 3.28Å; L188-P209 WeakPolarHBondContact O-CG 3.41Å | ||
| 189 | T | 96.3 | Very high | 97.1 | Very high | 74 Ų | 74 | 39.8 Ų | 39.8 | 45% | 0.454 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -30 | -169.4 | 51.9 | 0 | 0 | 0 | 0 | 114.4 | D163 G187 T211 | D163-T189 PolarHBondContact OD1-OG1 2.82Å; G187-T189 PolarHBondContact O-N 2.94Å; T189-T211 PolarHBondContact O-OG1 3.05Å; T189-T211 VanDerWaalsContact O-OG1 3.09Å |
| 190 | S | 98 | Very high | 97.3 | Very high | 49 Ų | 49 | 43.2 Ų | 43.2 | 34% | 0.343 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 12.3 | -177.3 | -64.2 | 0 | 0 | 0 | 0 | 114.6 | D163 L165 L188 V192 | D163-S190 WeakPolarHBondContact O-CB 3.18Å; D163-S190 PolarHBondContact O-OG 3.18Å; L165-S190 CarbonylContact O-C 3.46Å; L188-S190 VanDerWaalsContact C-N 3.26Å; L188-S190 PolarHBondContact O-N 3.14Å; L188-S190 VanDerWaalsContact O-N 3.14Å; S190-V192 PolarHBondContact O-N 2.96Å |
| 191 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -65.6 | 128.6 | -174.7 | -163.4 | 72.9 | 0 | 0 | 0 | 111.7 | L165 L168 L188 I194 P209 T211 T212 | L165-L191 WeakPolarHBondContact O-CA 3.39Å; L165-L191 PolarHBondContact O-N 2.78Å; L168-L191 HydrophobicContact CB-CD1 3.85Å; L188-L191 HydrophobicContact CB-CB 4.08Å; L188-L191 HydrophobicContact CB-CD2 4.27Å; L188-L191 HydrophobicContact CD1-CD2 3.9Å; L188-L191 HydrophobicContact CD2-CD1 4.36Å; L188-L191 HydrophobicContact CG-CD2 4.5Å; L188-L191 PolarHBondContact O-N 2.81Å; L191-I194 HydrophobicContact CD2-CB 3.84Å; L191-I194 HydrophobicContact CD2-CD1 4.27Å; L191-I194 HydrophobicContact CD2-CG1 4.45Å; L191-I194 HydrophobicContact CD2-CG2 4.49Å; L191-P209 HydrophobicContact CB-CG 3.72Å; L191-P209 HydrophobicContact CD2-CG 4.39Å; L191-T211 CarbonylContact O-C 3.55Å; L191-T211 VanDerWaalsContact O-CB 3.31Å; L191-T211 WeakPolarHBondContact O-CB 3.32Å; L191-T211 PolarHBondContact O-OG1 3.48Å; L191-T211 VanDerWaalsContact O-OG1 3.12Å; L191-T212 WeakPolarHBondContact O-CA 3.43Å; L191-T212 PolarHBondContact O-N 3.34Å | ||
| 192 | V | 98.8 | Very high | 97.5 | Very high | 59 Ų | 59 | 43 Ų | 43 | 36% | 0.358 | 23% | 0.23 | S | C | . | . | trans | -104.2 | -42.5 | 176.9 | 176.4 | 0 | 0 | 0 | 0 | 110.2 | N166 S190 T213 Q214 | N166-V192 HydrophobicContact CB-CG2 4.16Å; N166-V192 PolarHBondContact O-N 3.42Å; S190-V192 PolarHBondContact O-N 2.96Å; V192-T213 PolarHBondContact O-N 3.19Å; V192-Q214 PolarHBondContact O-N 2.97Å | ||
| 193 | Q | 98.9 | Very high | 97.7 | Very high | 42 Ų | 42 | 39.6 Ų | 39.6 | 20% | 0.196 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 130.5 | -175.9 | 179.4 | -177.4 | -32.3 | 0 | 0 | 111 | N166 L167 L168 Q214 F216 | N166-Q193 PolarHBondContact O-N 3.03Å; L167-Q193 WeakPolarHBondContact CA-O 3.2Å; L168-Q193 PolarHBondContact N-O 3.37Å; Q193-Q214 WeakPolarHBondContact CA-O 3.14Å; Q193-Q214 HydrophobicContact CB-CB 4.06Å; Q193-Q214 HydrophobicContact CG-CB 3.9Å; Q193-Q214 VanDerWaalsContact OE1-OE1 3.09Å; Q193-F216 HydrophobicContact CG-CE2 4.18Å |
| 194 | I | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 130.3 | 168 | -169.4 | 170.6 | 0 | 0 | 0 | 110.6 | L168 L185 L191 L196 L208 T212 Q214 L215 F216 | L168-I194 HydrophobicContact CB-CG1 4.44Å; L168-I194 HydrophobicContact CD2-CD1 4.14Å; L168-I194 HydrophobicContact CD2-CG1 4.44Å; L168-I194 WeakPolarHBondContact O-CA 2.99Å; L185-I194 HydrophobicContact CD2-CD1 4.48Å; L191-I194 HydrophobicContact CD2-CB 3.84Å; L191-I194 HydrophobicContact CD2-CD1 4.27Å; L191-I194 HydrophobicContact CD2-CG1 4.45Å; L191-I194 HydrophobicContact CD2-CG2 4.49Å; I194-L196 HydrophobicContact CD1-CD1 3.86Å; I194-L196 HydrophobicContact CD1-CG 4.15Å; I194-L196 HydrophobicContact CG1-CD1 4.22Å; I194-L196 HydrophobicContact CG1-CG 4.09Å; I194-L208 HydrophobicContact CD1-CD2 3.91Å; I194-L208 HydrophobicContact CG2-CD2 3.88Å; I194-T212 HydrophobicContact CG2-CG2 4.29Å; I194-Q214 PolarHBondContact N-O 3.39Å; I194-L215 HydrophobicContact CG2-CD1 3.53Å; I194-F216 PolarHBondContact O-N 3.23Å; I194-F216 VanDerWaalsContact O-N 3.09Å |
| 195 | N | 98.9 | Very high | 97.8 | Very high | 21 Ų | 21 | 35.7 Ų | 35.7 | 11% | 0.112 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 110.7 | 176.8 | -172 | 2 | 0 | 0 | 0 | 110.3 | L168 D169 L170 Q171 A197 F216 | L168-N195 PolarHBondContact O-N 2.96Å; D169-N195 HydrophobicContact CB-CB 4.46Å; D169-N195 WeakPolarHBondContact OD1-CB 3.14Å; D169-N195 PolarHBondContact OD1-ND2 3.25Å; L170-N195 CarbonylContact C-O 3.54Å; L170-N195 WeakPolarHBondContact CA-O 3.41Å; L170-N195 PolarHBondContact N-O 2.97Å; Q171-N195 WeakPolarHBondContact CB-ND2 3.29Å; Q171-N195 PolarHBondContact N-O 3.41Å; N195-A197 VanDerWaalsContact OD1-CB 3.29Å; N195-A197 WeakPolarHBondContact OD1-CB 3.47Å; N195-A197 PolarHBondContact OD1-N 2.85Å; N195-F216 HydrophobicContact CB-CB 4.39Å; N195-F216 HydrophobicContact CB-CD2 4.06Å; N195-F216 WeakPolarHBondContact OD1-CB 3.33Å |
| 196 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -117.9 | 14.2 | 178.3 | -72.3 | 165.9 | 0 | 0 | 0 | 111.3 | L170 L175 V180 I194 N199 L201 P205 F216 L217 N220 | L170-L196 HydrophobicContact CB-CD2 3.99Å; L170-L196 HydrophobicContact CD1-CD2 4.09Å; L175-L196 HydrophobicContact CD1-CD2 3.76Å; V180-L196 HydrophobicContact CG1-CD1 4.12Å; V180-L196 HydrophobicContact CG2-CD2 4.38Å; I194-L196 HydrophobicContact CD1-CD1 3.86Å; I194-L196 HydrophobicContact CD1-CG 4.15Å; I194-L196 HydrophobicContact CG1-CD1 4.22Å; I194-L196 HydrophobicContact CG1-CG 4.09Å; L196-N199 PolarHBondContact O-ND2 2.9Å; L196-L201 HydrophobicContact CB-CD1 4.1Å; L196-L201 HydrophobicContact CD1-CD1 4.31Å; L196-P205 HydrophobicContact CD1-CB 4.14Å; L196-P205 HydrophobicContact CD1-CG 4.05Å; L196-F216 CarbonylContact C-O 3.38Å; L196-F216 WeakPolarHBondContact CA-O 3.47Å; L196-F216 PolarHBondContact N-O 3.25Å; L196-L217 HydrophobicContact CB-CD2 3.73Å; L196-L217 HydrophobicContact CD1-CD2 4.23Å; L196-N220 PolarHBondContact O-ND2 2.93Å | ||
| 197 | A | 98.9 | Very high | 97.5 | Very high | 6 Ų | 6 | 34.6 Ų | 34.6 | 5% | 0.05 | 21% | 0.205 | C | C | . | . | trans | -59.2 | 152.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q171 G172 N195 N199 F216 D218 | Q171-A197 CarbonylContact C-O 3.21Å; Q171-A197 WeakPolarHBondContact CA-O 3.47Å; Q171-A197 HydrophobicContact CG-CB 4.03Å; G172-A197 PolarHBondContact N-O 3.04Å; N195-A197 VanDerWaalsContact OD1-CB 3.29Å; N195-A197 WeakPolarHBondContact OD1-CB 3.47Å; N195-A197 PolarHBondContact OD1-N 2.85Å; A197-N199 PolarHBondContact O-N 3.2Å; A197-N199 PolarHBondContact O-ND2 3.06Å; A197-F216 PolarHBondContact N-O 3.44Å; A197-F216 VanDerWaalsContact N-O 3.14Å; A197-D218 CarbonylContact C-O 3.29Å; A197-D218 WeakPolarHBondContact CA-O 3.42Å; A197-D218 HydrophobicContact CB-CB 4.03Å; A197-D218 VanDerWaalsContact CB-O 3.32Å; A197-D218 WeakPolarHBondContact CB-O 3.26Å | ||
| 198 | K | 98.9 | Very high | 97.7 | Very high | 133 Ų | 133 | 34.6 Ų | 34.6 | 58% | 0.578 | 20% | 0.201 | S | C | * | . | S | Bend | trans | 55.9 | 47.3 | 178 | -53.5 | -169.1 | -174.5 | -179 | 0 | 112.6 | G172 N173 D218 G219 | G172-K198 CarbonylContact C-O 3.21Å; G172-K198 WeakPolarHBondContact CA-O 3.32Å; G172-K198 PolarHBondContact N-O 2.88Å; N173-K198 PolarHBondContact N-O 3.33Å; K198-D218 PolarHBondContact N-O 2.7Å; K198-G219 WeakPolarHBondContact CA-O 3.47Å |
| 199 | N | 98.9 | Very high | 97.7 | Very high | 9 Ų | 9 | 35.1 Ų | 35.1 | 5% | 0.048 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -113.3 | -157.3 | 169.2 | -81.9 | -76.6 | 0 | 0 | 0 | 109 | L170 N173 K174 L175 L196 A197 L201 N220 | L170-N199 PolarHBondContact O-ND2 3.5Å; N173-N199 VanDerWaalsContact CA-OD1 3.24Å; N173-N199 WeakPolarHBondContact CA-OD1 3.28Å; N173-N199 WeakPolarHBondContact CB-OD1 3.5Å; N173-N199 PolarHBondContact N-OD1 2.91Å; N173-N199 PolarHBondContact O-OD1 2.75Å; K174-N199 PolarHBondContact N-OD1 2.93Å; L175-N199 HydrophobicContact CB-CB 4.18Å; L175-N199 WeakPolarHBondContact CB-OD1 3.46Å; L175-N199 PolarHBondContact N-OD1 3.44Å; L196-N199 PolarHBondContact O-ND2 2.9Å; A197-N199 PolarHBondContact O-N 3.2Å; A197-N199 PolarHBondContact O-ND2 3.06Å; N199-L201 HydrophobicContact CB-CG 4.28Å; N199-N220 VanDerWaalsContact CA-OD1 3.27Å; N199-N220 WeakPolarHBondContact CA-OD1 3.42Å; N199-N220 VanDerWaalsContact CB-OD1 3.25Å; N199-N220 WeakPolarHBondContact CB-OD1 3.39Å; N199-N220 PolarHBondContact N-OD1 3.34Å; N199-N220 PolarHBondContact O-OD1 3.07Å |
| 200 | Q | 98.8 | Very high | 97.8 | Very high | 76 Ų | 76 | 35.4 Ų | 35.4 | 36% | 0.355 | 21% | 0.208 | S | C | . | . | trans | -122.3 | 28.6 | -178.4 | -62.2 | 168.7 | 42 | 0 | 0 | 111.1 | L175 M176 S202 N220 | L175-Q200 CarbonylContact O-C 3.09Å; L175-Q200 WeakPolarHBondContact O-CA 3.44Å; L175-Q200 PolarHBondContact O-N 3.25Å; M176-Q200 HydrophobicContact CG-CB 4.03Å; Q200-S202 PolarHBondContact O-N 3.4Å; Q200-N220 PolarHBondContact N-OD1 3.18Å | ||
| 201 | L | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | trans | -68 | 132 | -179 | -57.4 | 178.9 | 0 | 0 | 0 | 110.3 | L175 D177 V180 L196 N199 L217 N220 N221 I222 | L175-L201 HydrophobicContact CB-CD2 4.43Å; D177-L201 WeakPolarHBondContact OD1-CA 3.44Å; V180-L201 HydrophobicContact CB-CD2 4.3Å; V180-L201 HydrophobicContact CG2-CD2 3.88Å; L196-L201 HydrophobicContact CB-CD1 4.1Å; L196-L201 HydrophobicContact CD1-CD1 4.31Å; N199-L201 HydrophobicContact CB-CG 4.28Å; L201-L217 HydrophobicContact CD1-CD2 3.79Å; L201-N220 HydrophobicContact CB-CB 4.24Å; L201-N220 WeakPolarHBondContact CB-OD1 3.3Å; L201-N220 PolarHBondContact N-OD1 2.79Å; L201-N221 CarbonylContact O-C 3.55Å; L201-N221 VanDerWaalsContact O-C 3.29Å; L201-N221 VanDerWaalsContact O-CA 3.26Å; L201-N221 WeakPolarHBondContact O-CA 3.39Å; L201-N221 WeakPolarHBondContact O-CB 3.48Å; L201-N221 PolarHBondContact O-N 3.14Å; L201-I222 HydrophobicContact CB-CG1 4.49Å; L201-I222 PolarHBondContact O-N 3.49Å | ||
| 202 | S | 98.3 | Very high | 97.8 | Very high | 55 Ų | 55 | 35 Ų | 35 | 39% | 0.385 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -103.8 | -13.6 | 173.8 | -55.4 | 0 | 0 | 0 | 0 | 112 | D177 Q200 I222 | D177-S202 PolarHBondContact OD1-N 3.46Å; Q200-S202 PolarHBondContact O-N 3.4Å; S202-I222 WeakPolarHBondContact O-CA 3.29Å |
| 203 | S | 97.9 | Very high | 97.8 | Very high | 51 Ų | 51 | 33.8 Ų | 33.8 | 36% | 0.357 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -127.4 | 158.1 | 179.4 | -51.7 | 0 | 0 | 0 | 0 | 111.7 | D177 | D177-S203 PolarHBondContact OD1-N 3Å; D177-S203 VanDerWaalsContact OD2-CB 3.25Å; D177-S203 WeakPolarHBondContact OD2-CB 3.35Å; D177-S203 PolarHBondContact OD2-N 2.77Å; D177-S203 PolarHBondContact OD2-OG 3.07Å |
| 204 | M | 98.2 | Very high | 97.8 | Very high | 6 Ų | 6 | 34.2 Ų | 34.2 | 3% | 0.03 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -62.7 | 137.7 | 168.7 | -64 | -67.2 | -70.5 | 0 | 0 | 110.3 | L215 L217 I222 I225 P226 Y229 F230 L241 | M204-L215 HydrophobicContact CE-CD2 4.23Å; M204-L217 HydrophobicContact CE-CD1 3.81Å; M204-L217 HydrophobicContact SD-CD1 3.84Å; M204-I222 HydrophobicContact CG-CG2 4.34Å; M204-I222 HydrophobicContact SD-CD1 4.08Å; M204-I222 HydrophobicContact SD-CG2 4.09Å; M204-I225 HydrophobicContact CG-CB 4.37Å; M204-I225 HydrophobicContact CG-CG1 4.21Å; M204-I225 HydrophobicContact CG-CG2 4.28Å; M204-I225 HydrophobicContact SD-CG1 4.24Å; M204-P226 HydrophobicContact CB-CG 4.38Å; M204-Y229 HydrophobicContact CB-CD2 4.04Å; M204-Y229 HydrophobicContact CB-CE2 3.51Å; M204-Y229 HydrophobicContact CE-CD1 4.01Å; M204-Y229 HydrophobicContact CE-CE1 3.48Å; M204-Y229 VanDerWaalsContact CE-CE1 3.48Å; M204-Y229 HydrophobicContact CG-CE2 4.45Å; M204-F230 HydrophobicContact CE-CZ 4.42Å; M204-L241 HydrophobicContact SD-CD1 4.42Å; M204-L241 HydrophobicContact SD-CD2 3.9Å |
| 205 | P | 97.1 | Very high | 97.8 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 3% | 0.032 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -67.2 | 136.4 | -178.7 | 27.6 | -34.9 | 0 | 0 | 0 | 111.5 | V180 L196 L208 L215 L217 Y229 | V180-P205 HydrophobicContact CG1-CB 3.64Å; L196-P205 HydrophobicContact CD1-CB 4.14Å; L196-P205 HydrophobicContact CD1-CG 4.05Å; P205-L208 HydrophobicContact CG-CD1 4.01Å; P205-L208 HydrophobicContact CG-CG 4.43Å; P205-L215 HydrophobicContact CG-CD1 4.37Å; P205-L217 HydrophobicContact CG-CD1 4.42Å; P205-L217 HydrophobicContact CG-CD2 4.25Å; P205-Y229 VanDerWaalsContact O-CE2 3.25Å; P205-Y229 WeakPolarHBondContact O-CE2 3.4Å; P205-Y229 PolarHBondContact O-OH 2.82Å |
| 206 | L | 92.6 | Very high | 97.8 | Very high | 82 Ų | 82 | 34.7 Ų | 34.7 | 43% | 0.429 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -98.2 | 154.5 | 177.5 | -59.9 | 179 | 0 | 0 | 0 | 111.4 | E182 Y229 | E182-L206 HydrophobicContact CG-CB 3.66Å; L206-Y229 HydrophobicContact CD2-CE2 4.28Å |
| 207 | G | 92.5 | Very high | 97.8 | Very high | 36 Ų | 36 | 34.7 Ų | 34.7 | 37% | 0.371 | 20% | 0.199 | S | C | . | . | trans | 78.4 | 20.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 208 | L | 97.3 | Very high | 97.8 | Very high | 18 Ų | 18 | 35.2 Ų | 35.2 | 9% | 0.094 | 20% | 0.201 | C | C | . | . | trans | -63.9 | 141.2 | 166.3 | -69.6 | 179.7 | 0 | 0 | 0 | 110.5 | L185 I194 P205 L215 L233 | L185-L208 HydrophobicContact CD1-CD2 3.85Å; I194-L208 HydrophobicContact CD1-CD2 3.91Å; I194-L208 HydrophobicContact CG2-CD2 3.88Å; P205-L208 HydrophobicContact CG-CD1 4.01Å; P205-L208 HydrophobicContact CG-CG 4.43Å; L208-L215 HydrophobicContact CD1-CD1 3.95Å; L208-L215 HydrophobicContact CD1-CD2 3.78Å; L208-L215 HydrophobicContact CD1-CG 4.45Å; L208-L233 HydrophobicContact CB-CD1 4.33Å; L208-L233 HydrophobicContact CB-CD2 3.71Å; L208-L233 HydrophobicContact CD1-CD1 4.14Å | ||
| 209 | P | 97 | Very high | 97.8 | Very high | 15 Ų | 15 | 30.2 Ų | 30.2 | 10% | 0.097 | 19% | 0.187 | C | C | . | . | trans | -77.1 | 152.3 | -177.3 | 33.4 | -39.1 | 0 | 0 | 0 | 111.7 | L188 L191 T211 T212 L233 | L188-P209 HydrophobicContact CB-CG 4.3Å; L188-P209 VanDerWaalsContact O-CB 3.25Å; L188-P209 WeakPolarHBondContact O-CB 3.28Å; L188-P209 WeakPolarHBondContact O-CG 3.41Å; L191-P209 HydrophobicContact CB-CG 3.72Å; L191-P209 HydrophobicContact CD2-CG 4.39Å; P209-T211 PolarHBondContact O-N 3.34Å; P209-T212 VanDerWaalsContact CD-OG1 3.27Å; P209-T212 WeakPolarHBondContact CD-OG1 3.17Å; P209-T212 WeakPolarHBondContact CG-OG1 3.35Å; P209-T212 WeakPolarHBondContact O-CB 3.26Å; P209-T212 PolarHBondContact O-N 3.5Å; P209-T212 PolarHBondContact O-OG1 2.79Å; P209-L233 VanDerWaalsContact O-CD2 3.28Å; P209-L233 WeakPolarHBondContact O-CD2 3.46Å | ||
| 210 | P | 97.4 | Very high | 97.8 | Very high | 80 Ų | 80 | 30.1 Ų | 30.1 | 52% | 0.519 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -13.6 | 178.6 | -24.2 | 34.1 | 0 | 0 | 0 | 115.6 | T212 G232 P234 | P210-T212 VanDerWaalsContact C-N 3.32Å; P210-G232 VanDerWaalsContact CA-O 3.3Å; P210-G232 WeakPolarHBondContact CA-O 3.39Å; P210-P234 HydrophobicContact CB-CG 4.43Å |
| 211 | T | 98.3 | Very high | 97.8 | Very high | 40 Ų | 40 | 29.1 Ų | 29.1 | 25% | 0.245 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -17 | 175.6 | 39.4 | 0 | 0 | 0 | 0 | 113.2 | T189 L191 P209 T213 | T189-T211 PolarHBondContact O-OG1 3.05Å; T189-T211 VanDerWaalsContact O-OG1 3.09Å; L191-T211 CarbonylContact O-C 3.55Å; L191-T211 VanDerWaalsContact O-CB 3.31Å; L191-T211 WeakPolarHBondContact O-CB 3.32Å; L191-T211 PolarHBondContact O-OG1 3.48Å; L191-T211 VanDerWaalsContact O-OG1 3.12Å; P209-T211 PolarHBondContact O-N 3.34Å; T211-T213 PolarHBondContact O-N 3.41Å; T211-T213 PolarHBondContact O-OG1 3.23Å |
| 212 | T | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -60 | 121.6 | -177.8 | -49.5 | 0 | 0 | 0 | 0 | 110.9 | L191 I194 P209 P210 K235 M236 | L191-T212 WeakPolarHBondContact O-CA 3.43Å; L191-T212 PolarHBondContact O-N 3.34Å; I194-T212 HydrophobicContact CG2-CG2 4.29Å; P209-T212 VanDerWaalsContact CD-OG1 3.27Å; P209-T212 WeakPolarHBondContact CD-OG1 3.17Å; P209-T212 WeakPolarHBondContact CG-OG1 3.35Å; P209-T212 WeakPolarHBondContact O-CB 3.26Å; P209-T212 PolarHBondContact O-N 3.5Å; P209-T212 PolarHBondContact O-OG1 2.79Å; P210-T212 VanDerWaalsContact C-N 3.32Å; T212-K235 CarbonylContact O-C 3.55Å; T212-M236 HydrophobicContact CG2-CE 3.91Å; T212-M236 PolarHBondContact O-N 3.22Å | ||
| 213 | T | 98.8 | Very high | 97.8 | Very high | 34 Ų | 34 | 31.8 Ų | 31.8 | 21% | 0.209 | 19% | 0.19 | C | C | . | . | trans | -111.1 | -26.7 | -179.9 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | V192 T211 K235 A237 F238 | V192-T213 PolarHBondContact O-N 3.19Å; T211-T213 PolarHBondContact O-N 3.41Å; T211-T213 PolarHBondContact O-OG1 3.23Å; T213-K235 WeakPolarHBondContact CA-O 3.35Å; T213-A237 HydrophobicContact CG2-CB 3.68Å; T213-A237 PolarHBondContact O-N 2.92Å; T213-F238 PolarHBondContact O-N 2.85Å | ||
| 214 | Q | 98.9 | Very high | 97.8 | Very high | 50 Ų | 50 | 35.8 Ų | 35.8 | 23% | 0.234 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 122 | -177.1 | -55.5 | -175.2 | 18.3 | 0 | 0 | 110.7 | V192 Q193 I194 F216 F238 | V192-Q214 PolarHBondContact O-N 2.97Å; Q193-Q214 WeakPolarHBondContact CA-O 3.14Å; Q193-Q214 HydrophobicContact CB-CB 4.06Å; Q193-Q214 HydrophobicContact CG-CB 3.9Å; Q193-Q214 VanDerWaalsContact OE1-OE1 3.09Å; I194-Q214 PolarHBondContact N-O 3.39Å; Q214-F216 HydrophobicContact CB-CE1 4.17Å; Q214-F216 HydrophobicContact CB-CZ 4.02Å; Q214-F238 WeakPolarHBondContact CA-O 3.46Å; Q214-F238 HydrophobicContact CB-CB 4.39Å; Q214-F238 HydrophobicContact CG-CB 4.11Å; Q214-F238 HydrophobicContact CG-CD2 3.84Å; Q214-F238 HydrophobicContact CG-CG 4.28Å |
| 215 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 114.6 | 178.8 | 174.8 | 58.7 | 0 | 0 | 0 | 110 | I194 M204 P205 L208 L217 Y229 M236 F238 L239 R240 | I194-L215 HydrophobicContact CG2-CD1 3.53Å; M204-L215 HydrophobicContact CE-CD2 4.23Å; P205-L215 HydrophobicContact CG-CD1 4.37Å; L208-L215 HydrophobicContact CD1-CD1 3.95Å; L208-L215 HydrophobicContact CD1-CD2 3.78Å; L208-L215 HydrophobicContact CD1-CG 4.45Å; L215-L217 HydrophobicContact CD1-CD1 3.94Å; L215-L217 HydrophobicContact CD1-CD2 4.32Å; L215-L217 HydrophobicContact CD1-CG 3.87Å; L215-L217 HydrophobicContact CD2-CD1 3.79Å; L215-L217 HydrophobicContact CG-CD1 3.76Å; L215-L217 HydrophobicContact CG-CG 4.02Å; L215-Y229 HydrophobicContact CD2-CE1 4.4Å; L215-M236 HydrophobicContact CB-CE 3.73Å; L215-M236 HydrophobicContact CB-SD 3.85Å; L215-M236 HydrophobicContact CD2-CE 4.12Å; L215-F238 PolarHBondContact N-O 3.38Å; L215-L239 HydrophobicContact CB-CD1 4.14Å; L215-L239 HydrophobicContact CD2-CD1 3.95Å; L215-L239 HydrophobicContact CG-CD1 4.05Å; L215-R240 PolarHBondContact O-N 2.85Å |
| 216 | F | 98.9 | Very high | 97.8 | Very high | 32 Ų | 32 | 38 Ų | 38 | 14% | 0.14 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 118.5 | 178.9 | -50.4 | -33.5 | 0 | 0 | 0 | 110.6 | Q193 I194 N195 L196 A197 Q214 F238 R240 | Q193-F216 HydrophobicContact CG-CE2 4.18Å; I194-F216 PolarHBondContact O-N 3.23Å; I194-F216 VanDerWaalsContact O-N 3.09Å; N195-F216 HydrophobicContact CB-CB 4.39Å; N195-F216 HydrophobicContact CB-CD2 4.06Å; N195-F216 WeakPolarHBondContact OD1-CB 3.33Å; L196-F216 CarbonylContact C-O 3.38Å; L196-F216 WeakPolarHBondContact CA-O 3.47Å; L196-F216 PolarHBondContact N-O 3.25Å; A197-F216 PolarHBondContact N-O 3.44Å; A197-F216 VanDerWaalsContact N-O 3.14Å; Q214-F216 HydrophobicContact CB-CE1 4.17Å; Q214-F216 HydrophobicContact CB-CZ 4.02Å; F216-F238 HydrophobicContact CE1-CB 4.33Å; F216-R240 HydrophobicContact CD1-CB 4.01Å; F216-R240 VanDerWaalsContact CD1-CD 3.5Å; F216-R240 HydrophobicContact CD1-CG 3.74Å; F216-R240 HydrophobicContact CE1-CG 4.14Å |
| 217 | L | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -130.3 | 16.9 | -175.7 | -70.3 | 166 | 0 | 0 | 0 | 111.7 | L196 L201 M204 P205 L215 N220 I222 R240 L241 N244 | L196-L217 HydrophobicContact CB-CD2 3.73Å; L196-L217 HydrophobicContact CD1-CD2 4.23Å; L201-L217 HydrophobicContact CD1-CD2 3.79Å; M204-L217 HydrophobicContact CE-CD1 3.81Å; M204-L217 HydrophobicContact SD-CD1 3.84Å; P205-L217 HydrophobicContact CG-CD1 4.42Å; P205-L217 HydrophobicContact CG-CD2 4.25Å; L215-L217 HydrophobicContact CD1-CD1 3.94Å; L215-L217 HydrophobicContact CD1-CD2 4.32Å; L215-L217 HydrophobicContact CD1-CG 3.87Å; L215-L217 HydrophobicContact CD2-CD1 3.79Å; L215-L217 HydrophobicContact CG-CD1 3.76Å; L215-L217 HydrophobicContact CG-CG 4.02Å; L217-N220 PolarHBondContact O-ND2 3.19Å; L217-I222 HydrophobicContact CB-CD1 4.01Å; L217-I222 HydrophobicContact CD1-CD1 3.98Å; L217-I222 HydrophobicContact CD2-CD1 4.21Å; L217-I222 HydrophobicContact CG-CD1 4.3Å; L217-R240 CarbonylContact C-O 3.33Å; L217-R240 WeakPolarHBondContact CA-O 3.35Å; L217-R240 WeakPolarHBondContact CB-O 3.3Å; L217-R240 PolarHBondContact N-O 3.31Å; L217-L241 HydrophobicContact CB-CD2 3.74Å; L217-L241 HydrophobicContact CB-CG 4.48Å; L217-L241 HydrophobicContact CD1-CD2 3.88Å; L217-L241 HydrophobicContact CG-CD2 4.48Å; L217-N244 PolarHBondContact O-ND2 3.02Å | ||
| 218 | D | 98.9 | Very high | 97.9 | Very high | 16 Ų | 16 | 40.5 Ų | 40.5 | 9% | 0.086 | 23% | 0.231 | C | C | . | . | trans | -54.2 | 142.6 | -179.5 | -50.9 | -114 | 0 | 0 | 0 | 112.1 | A197 K198 R240 N242 | A197-D218 CarbonylContact C-O 3.29Å; A197-D218 WeakPolarHBondContact CA-O 3.42Å; A197-D218 HydrophobicContact CB-CB 4.03Å; A197-D218 VanDerWaalsContact CB-O 3.32Å; A197-D218 WeakPolarHBondContact CB-O 3.26Å; K198-D218 PolarHBondContact N-O 2.7Å; D218-R240 IonicContact OD1-CZ 3.87Å; D218-R240 IonicContact OD1-NE 2.9Å; D218-R240 PolarHBondContact OD1-NE 3.37Å; D218-R240 IonicContact OD1-NH2 3.61Å; D218-R240 PolarHBondContact OD1-NH2 3.27Å; D218-R240 WeakPolarHBondContact OD2-CB 3.39Å; D218-R240 IonicContact OD2-CZ 3.77Å; D218-R240 IonicContact OD2-NE 3.7Å; D218-R240 PolarHBondContact OD2-NE 2.96Å; D218-R240 IonicContact OD2-NH2 3.68Å; D218-N242 CarbonylContact C-O 3.36Å; D218-N242 WeakPolarHBondContact CA-O 3.06Å; D218-N242 HydrophobicContact CB-CB 4.46Å; D218-N242 WeakPolarHBondContact OD1-CB 3.41Å; D218-N242 PolarHBondContact OD1-ND2 3.5Å | ||
| 219 | G | 98.9 | Very high | 97.9 | Very high | 28 Ų | 28 | 40.8 Ų | 40.8 | 29% | 0.289 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 67.6 | 41.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | K198 N242 H243 | K198-G219 WeakPolarHBondContact CA-O 3.47Å; G219-N242 PolarHBondContact N-O 3.29Å; G219-H243 WeakPolarHBondContact CA-O 3.45Å; G219-H243 PolarHBondContact N-O 2.83Å |
| 220 | N | 98.9 | Very high | 97.9 | Very high | 8 Ų | 8 | 40.4 Ų | 40.4 | 4% | 0.043 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -113.5 | -166.4 | 171.4 | -81.1 | -76.3 | 0 | 0 | 0 | 109.6 | L196 N199 Q200 L201 L217 I222 H243 N244 | L196-N220 PolarHBondContact O-ND2 2.93Å; N199-N220 VanDerWaalsContact CA-OD1 3.27Å; N199-N220 WeakPolarHBondContact CA-OD1 3.42Å; N199-N220 VanDerWaalsContact CB-OD1 3.25Å; N199-N220 WeakPolarHBondContact CB-OD1 3.39Å; N199-N220 PolarHBondContact N-OD1 3.34Å; N199-N220 PolarHBondContact O-OD1 3.07Å; Q200-N220 PolarHBondContact N-OD1 3.18Å; L201-N220 HydrophobicContact CB-CB 4.24Å; L201-N220 WeakPolarHBondContact CB-OD1 3.3Å; L201-N220 PolarHBondContact N-OD1 2.79Å; L217-N220 PolarHBondContact O-ND2 3.19Å; N220-I222 HydrophobicContact CB-CD1 4.33Å; N220-I222 HydrophobicContact CB-CG1 4.15Å; N220-H243 PolarHBondContact N-O 2.96Å; N220-N244 WeakPolarHBondContact CA-OD1 3.5Å; N220-N244 WeakPolarHBondContact CB-OD1 3.5Å; N220-N244 PolarHBondContact N-OD1 3.01Å; N220-N244 PolarHBondContact O-OD1 3.41Å |
| 221 | N | 98.8 | Very high | 97.7 | Very high | 54 Ų | 54 | 43.9 Ų | 43.9 | 29% | 0.289 | 24% | 0.235 | S | C | . | . | trans | -112.5 | 27 | 178.7 | -61.2 | -65.3 | 0 | 0 | 0 | 112.2 | L201 E223 N244 K245 | L201-N221 CarbonylContact O-C 3.55Å; L201-N221 VanDerWaalsContact O-C 3.29Å; L201-N221 VanDerWaalsContact O-CA 3.26Å; L201-N221 WeakPolarHBondContact O-CA 3.39Å; L201-N221 WeakPolarHBondContact O-CB 3.48Å; L201-N221 PolarHBondContact O-N 3.14Å; N221-E223 PolarHBondContact O-N 2.96Å; N221-N244 PolarHBondContact N-OD1 3.27Å; N221-K245 HydrophobicContact CB-CD 4.39Å; N221-K245 WeakPolarHBondContact OD1-CE 3.48Å; N221-K245 PolarHBondContact OD1-NZ 3.26Å | ||
| 222 | I | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -69 | 125.3 | -172.3 | -60.1 | 170.9 | 0 | 0 | 0 | 110.3 | L201 S202 M204 L217 N220 L241 N244 K245 L246 | L201-I222 HydrophobicContact CB-CG1 4.49Å; L201-I222 PolarHBondContact O-N 3.49Å; S202-I222 WeakPolarHBondContact O-CA 3.29Å; M204-I222 HydrophobicContact CG-CG2 4.34Å; M204-I222 HydrophobicContact SD-CD1 4.08Å; M204-I222 HydrophobicContact SD-CG2 4.09Å; L217-I222 HydrophobicContact CB-CD1 4.01Å; L217-I222 HydrophobicContact CD1-CD1 3.98Å; L217-I222 HydrophobicContact CD2-CD1 4.21Å; L217-I222 HydrophobicContact CG-CD1 4.3Å; N220-I222 HydrophobicContact CB-CD1 4.33Å; N220-I222 HydrophobicContact CB-CG1 4.15Å; I222-L241 HydrophobicContact CD1-CD2 3.79Å; I222-N244 HydrophobicContact CB-CB 4.34Å; I222-N244 WeakPolarHBondContact CB-OD1 3.21Å; I222-N244 WeakPolarHBondContact CG1-OD1 3.47Å; I222-N244 PolarHBondContact N-OD1 2.98Å; I222-K245 CarbonylContact O-C 3.49Å; I222-K245 VanDerWaalsContact O-C 3.22Å; I222-K245 WeakPolarHBondContact O-CA 3.47Å; I222-K245 PolarHBondContact O-N 3.09Å; I222-L246 HydrophobicContact CG2-CD2 4.12Å; I222-L246 PolarHBondContact O-N 3.03Å; I222-L246 VanDerWaalsContact O-N 3.17Å | ||
| 223 | E | 97.9 | Very high | 97.6 | Very high | 112 Ų | 112 | 44.2 Ų | 44.2 | 52% | 0.523 | 25% | 0.245 | S | C | . | . | trans | -104.4 | -26.4 | -177.7 | -70.7 | 176.2 | -168.6 | 0 | 0 | 113.3 | N221 K245 | N221-E223 PolarHBondContact O-N 2.96Å; E223-K245 HydrophobicContact CG-CB 3.73Å; E223-K245 HydrophobicContact CG-CD 4.24Å | ||
| 224 | K | 97.9 | Very high | 97.4 | Very high | 136 Ų | 136 | 46.3 Ų | 46.3 | 59% | 0.591 | 26% | 0.259 | S | S | * | . | trans | -148.7 | 152.4 | -176.4 | 65.2 | -175.2 | 179.2 | -175.8 | 0 | 113.1 | G250 | K224-G250 CarbonylContact C-O 3.22Å; K224-G250 VanDerWaalsContact CA-O 3.28Å; K224-G250 WeakPolarHBondContact CA-O 3.25Å | ||
| 225 | I | 98.3 | Very high | 97.4 | Very high | 5 Ų | 5 | 49.6 Ų | 49.6 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -102.7 | 128 | 170.6 | -56.3 | 177.6 | 0 | 0 | 0 | 108 | M204 Y229 F230 L241 L246 G250 I251 P252 I255 F256 | M204-I225 HydrophobicContact CG-CB 4.37Å; M204-I225 HydrophobicContact CG-CG1 4.21Å; M204-I225 HydrophobicContact CG-CG2 4.28Å; M204-I225 HydrophobicContact SD-CG1 4.24Å; I225-Y229 HydrophobicContact CG2-CG 4.33Å; I225-F230 HydrophobicContact CG2-CE2 4.32Å; I225-L241 HydrophobicContact CD1-CD1 4.13Å; I225-L246 HydrophobicContact CG1-CD2 4.03Å; I225-G250 PolarHBondContact N-O 3.17Å; I225-I251 HydrophobicContact CD1-CG1 4.5Å; I225-P252 VanDerWaalsContact O-CD 3.26Å; I225-P252 WeakPolarHBondContact O-CD 3.13Å; I225-P252 VanDerWaalsContact O-CG 3.22Å; I225-P252 WeakPolarHBondContact O-CG 3.4Å; I225-I255 HydrophobicContact CG2-CD1 4.44Å; I225-I255 HydrophobicContact CG2-CG1 3.82Å; I225-F256 HydrophobicContact CD1-CE1 3.72Å; I225-F256 HydrophobicContact CD1-CZ 3.5Å |
| 226 | P | 96.6 | Very high | 97.3 | Very high | 52 Ų | 52 | 49.6 Ų | 49.6 | 34% | 0.338 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 148.6 | 174.6 | -24.5 | 34.4 | 0 | 0 | 0 | 112.4 | M204 Y229 | M204-P226 HydrophobicContact CB-CG 4.38Å; P226-Y229 HydrophobicContact CB-CD2 4.34Å; P226-Y229 HydrophobicContact CG-CD2 4.01Å; P226-Y229 WeakPolarHBondContact O-CB 3.43Å; P226-Y229 PolarHBondContact O-N 3.48Å |
| 227 | A | 94.4 | Very high | 97.3 | Very high | 75 Ų | 75 | 48.5 Ų | 48.5 | 62% | 0.62 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 144.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y229 | A227-Y229 PolarHBondContact O-N 2.86Š|
| 228 | D | 93.5 | Very high | 97.3 | Very high | 96 Ų | 96 | 51.9 Ų | 51.9 | 51% | 0.513 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 12.2 | 176.8 | -66.4 | -23.3 | 0 | 0 | 0 | 116.2 | F230 K231 | D228-F230 VanDerWaalsContact C-N 3.29Å; D228-F230 PolarHBondContact O-N 2.91Å; D228-F230 VanDerWaalsContact O-N 3.13Å; D228-K231 HydrophobicContact CB-CD 3.79Å; D228-K231 HydrophobicContact CB-CG 4.09Å; D228-K231 WeakPolarHBondContact O-CB 3.37Å; D228-K231 PolarHBondContact O-N 2.83Å; D228-K231 WeakPolarHBondContact OD1-CE 3.5Å; D228-K231 IonicContact OD1-NZ 2.79Å; D228-K231 PolarHBondContact OD1-NZ 3.27Å; D228-K231 IonicContact OD2-NZ 3.03Å; D228-K231 PolarHBondContact OD2-NZ 3.34Å |
| 229 | Y | 97.2 | Very high | 97.3 | Very high | 24 Ų | 24 | 51.1 Ų | 51.1 | 9% | 0.094 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -50.6 | -44.3 | -173.7 | -175.1 | -96.2 | 0 | 0 | 0 | 113.6 | M204 P205 L206 L215 I225 P226 A227 K231 L233 | M204-Y229 HydrophobicContact CB-CD2 4.04Å; M204-Y229 HydrophobicContact CB-CE2 3.51Å; M204-Y229 HydrophobicContact CE-CD1 4.01Å; M204-Y229 HydrophobicContact CE-CE1 3.48Å; M204-Y229 VanDerWaalsContact CE-CE1 3.48Å; M204-Y229 HydrophobicContact CG-CE2 4.45Å; P205-Y229 VanDerWaalsContact O-CE2 3.25Å; P205-Y229 WeakPolarHBondContact O-CE2 3.4Å; P205-Y229 PolarHBondContact O-OH 2.82Å; L206-Y229 HydrophobicContact CD2-CE2 4.28Å; L215-Y229 HydrophobicContact CD2-CE1 4.4Å; I225-Y229 HydrophobicContact CG2-CG 4.33Å; P226-Y229 HydrophobicContact CB-CD2 4.34Å; P226-Y229 HydrophobicContact CG-CD2 4.01Å; P226-Y229 WeakPolarHBondContact O-CB 3.43Å; P226-Y229 PolarHBondContact O-N 3.48Å; A227-Y229 PolarHBondContact O-N 2.86Å; Y229-K231 PolarHBondContact O-N 3.02Å; Y229-L233 HydrophobicContact CD1-CD1 4.3Å; Y229-L233 HydrophobicContact CE1-CD1 3.73Å |
| 230 | F | 96.7 | Very high | 97.3 | Very high | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -82.6 | -4.2 | -177.7 | -60.6 | -74.1 | 0 | 0 | 0 | 114.7 | M204 I225 D228 G232 L233 M236 L239 I255 F256 I258 | M204-F230 HydrophobicContact CE-CZ 4.42Å; I225-F230 HydrophobicContact CG2-CE2 4.32Å; D228-F230 VanDerWaalsContact C-N 3.29Å; D228-F230 PolarHBondContact O-N 2.91Å; D228-F230 VanDerWaalsContact O-N 3.13Å; F230-G232 PolarHBondContact O-N 2.95Å; F230-L233 HydrophobicContact CD1-CB 4.44Å; F230-L233 HydrophobicContact CD1-CD1 4.28Å; F230-L233 CarbonylContact O-C 3.44Å; F230-L233 PolarHBondContact O-N 3.39Å; F230-M236 HydrophobicContact CD1-CB 4.38Å; F230-M236 HydrophobicContact CD1-CG 4.16Å; F230-M236 HydrophobicContact CE1-CE 4.45Å; F230-M236 HydrophobicContact CE1-CG 4.13Å; F230-L239 HydrophobicContact CE1-CD2 4.03Å; F230-L239 HydrophobicContact CE2-CD2 4.3Å; F230-L239 HydrophobicContact CZ-CD2 3.44Å; F230-L239 VanDerWaalsContact CZ-CD2 3.44Å; F230-I255 HydrophobicContact CD2-CD1 4.13Å; F230-I255 HydrophobicContact CD2-CG1 3.88Å; F230-I255 VanDerWaalsContact CD2-O 3.23Å; F230-I255 WeakPolarHBondContact CD2-O 3.24Å; F230-I255 HydrophobicContact CE2-CG1 4.02Å; F230-F256 AromaticContact CE2-CD1 3.93Å; F230-F256 HydrophobicContact CE2-CD1 3.93Å; F230-F256 AromaticContact CE2-CE1 3.98Å; F230-F256 HydrophobicContact CE2-CE1 3.98Å; F230-F256 HydrophobicContact CZ-CD1 4.48Å; F230-F256 HydrophobicContact CZ-CE1 4.34Å; F230-I258 HydrophobicContact CB-CD1 4.18Å; F230-I258 HydrophobicContact CB-CG2 3.84Å; F230-I258 HydrophobicContact CD1-CD1 4.25Å; F230-I258 HydrophobicContact CG-CD1 4.22Å |
| 231 | K | 94.5 | Very high | 97.3 | Very high | 153 Ų | 153 | 53.6 Ų | 53.6 | 67% | 0.665 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -59.6 | -32.6 | 172.3 | -70.3 | -170.1 | -177.7 | 161.4 | 0 | 111.7 | D228 Y229 L233 | D228-K231 HydrophobicContact CB-CD 3.79Å; D228-K231 HydrophobicContact CB-CG 4.09Å; D228-K231 WeakPolarHBondContact O-CB 3.37Å; D228-K231 PolarHBondContact O-N 2.83Å; D228-K231 WeakPolarHBondContact OD1-CE 3.5Å; D228-K231 IonicContact OD1-NZ 2.79Å; D228-K231 PolarHBondContact OD1-NZ 3.27Å; D228-K231 IonicContact OD2-NZ 3.03Å; D228-K231 PolarHBondContact OD2-NZ 3.34Å; Y229-K231 PolarHBondContact O-N 3.02Å; K231-L233 VanDerWaalsContact C-N 3.33Å |
| 232 | G | 95.4 | Very high | 97.3 | Very high | 42 Ų | 42 | 51.4 Ų | 51.4 | 43% | 0.433 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -80.4 | -8.6 | 175 | 0 | 0 | 0 | 0 | 0 | 114.7 | P210 F230 P234 | P210-G232 VanDerWaalsContact CA-O 3.3Å; P210-G232 WeakPolarHBondContact CA-O 3.39Å; F230-G232 PolarHBondContact O-N 2.95Å; G232-P234 VanDerWaalsContact C-CD 3.4Å; G232-P234 WeakPolarHBondContact O-CD 3.34Å |
| 233 | L | 97.5 | Very high | 97.3 | Very high | 6 Ų | 6 | 56.2 Ų | 56.2 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | trans | -126.4 | 59 | -172 | -55.5 | 176.3 | 0 | 0 | 0 | 111.4 | L208 P209 Y229 F230 K231 K235 M236 | L208-L233 HydrophobicContact CB-CD1 4.33Å; L208-L233 HydrophobicContact CB-CD2 3.71Å; L208-L233 HydrophobicContact CD1-CD1 4.14Å; P209-L233 VanDerWaalsContact O-CD2 3.28Å; P209-L233 WeakPolarHBondContact O-CD2 3.46Å; Y229-L233 HydrophobicContact CD1-CD1 4.3Å; Y229-L233 HydrophobicContact CE1-CD1 3.73Å; F230-L233 HydrophobicContact CD1-CB 4.44Å; F230-L233 HydrophobicContact CD1-CD1 4.28Å; F230-L233 CarbonylContact O-C 3.44Å; F230-L233 PolarHBondContact O-N 3.39Å; K231-L233 VanDerWaalsContact C-N 3.33Å; L233-K235 PolarHBondContact O-N 3.36Å; L233-M236 HydrophobicContact CB-CB 4.36Å; L233-M236 HydrophobicContact CB-CE 4.18Å; L233-M236 HydrophobicContact CD1-CE 3.68Å; L233-M236 HydrophobicContact CG-CE 4.45Å; L233-M236 WeakPolarHBondContact O-CB 3.11Å; L233-M236 PolarHBondContact O-N 2.87Å; L233-M236 VanDerWaalsContact O-N 3.12Å | ||
| 234 | P | 96.2 | Very high | 97.4 | Very high | 78 Ų | 78 | 51.5 Ų | 51.5 | 51% | 0.506 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -17 | -170.8 | 28.1 | -37 | 0 | 0 | 0 | 114.1 | P210 G232 S260 | P210-P234 HydrophobicContact CB-CG 4.43Å; G232-P234 VanDerWaalsContact C-CD 3.4Å; G232-P234 WeakPolarHBondContact O-CD 3.34Å; P234-S260 WeakPolarHBondContact O-CB 3.17Å; P234-S260 PolarHBondContact O-OG 2.98Å |
| 235 | K | 97.6 | Very high | 97.4 | Very high | 119 Ų | 119 | 49.1 Ų | 49.1 | 52% | 0.517 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 4.3 | 179.9 | -63.8 | -171.3 | 179.6 | -178.6 | 0 | 114.1 | T212 T213 L233 A237 | T212-K235 CarbonylContact O-C 3.55Å; T213-K235 WeakPolarHBondContact CA-O 3.35Å; L233-K235 PolarHBondContact O-N 3.36Å; K235-A237 PolarHBondContact O-N 2.99Å; K235-A237 VanDerWaalsContact O-N 3.12Å |
| 236 | M | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -61.8 | 114.1 | -176.4 | -174.3 | 64.7 | 65 | 0 | 0 | 111.5 | T212 L215 F230 L233 I258 S260 M261 | T212-M236 HydrophobicContact CG2-CE 3.91Å; T212-M236 PolarHBondContact O-N 3.22Å; L215-M236 HydrophobicContact CB-CE 3.73Å; L215-M236 HydrophobicContact CB-SD 3.85Å; L215-M236 HydrophobicContact CD2-CE 4.12Å; F230-M236 HydrophobicContact CD1-CB 4.38Å; F230-M236 HydrophobicContact CD1-CG 4.16Å; F230-M236 HydrophobicContact CE1-CE 4.45Å; F230-M236 HydrophobicContact CE1-CG 4.13Å; L233-M236 HydrophobicContact CB-CB 4.36Å; L233-M236 HydrophobicContact CB-CE 4.18Å; L233-M236 HydrophobicContact CD1-CE 3.68Å; L233-M236 HydrophobicContact CG-CE 4.45Å; L233-M236 WeakPolarHBondContact O-CB 3.11Å; L233-M236 PolarHBondContact O-N 2.87Å; L233-M236 VanDerWaalsContact O-N 3.12Å; M236-I258 HydrophobicContact CB-CD1 3.76Å; M236-I258 HydrophobicContact CG-CD1 4.18Å; M236-S260 CarbonylContact O-C 3.34Å; M236-S260 PolarHBondContact O-OG 3.17Å; M236-S260 VanDerWaalsContact O-OG 3.13Å; M236-M261 WeakPolarHBondContact O-CA 3.37Å; M236-M261 PolarHBondContact O-N 3.39Å | ||
| 237 | A | 98.5 | Very high | 97.5 | Very high | 9 Ų | 9 | 47.4 Ų | 47.4 | 7% | 0.074 | 25% | 0.252 | C | S | . | . | trans | -111.1 | -32.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T213 K235 S260 L262 D263 | T213-A237 HydrophobicContact CG2-CB 3.68Å; T213-A237 PolarHBondContact O-N 2.92Å; K235-A237 PolarHBondContact O-N 2.99Å; K235-A237 VanDerWaalsContact O-N 3.12Å; A237-S260 WeakPolarHBondContact CA-O 3.46Å; A237-S260 WeakPolarHBondContact CB-O 3.36Å; A237-L262 HydrophobicContact CB-CD1 4.41Å; A237-L262 HydrophobicContact CB-CG 4.42Å; A237-L262 PolarHBondContact O-N 3.41Å; A237-D263 PolarHBondContact O-N 3.09Å | ||
| 238 | F | 98.9 | Very high | 97.6 | Very high | 70 Ų | 70 | 44.4 Ų | 44.4 | 31% | 0.307 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 114.7 | -176.4 | -59.5 | -97 | 0 | 0 | 0 | 110.2 | T213 Q214 L215 F216 L262 D263 | T213-F238 PolarHBondContact O-N 2.85Å; Q214-F238 WeakPolarHBondContact CA-O 3.46Å; Q214-F238 HydrophobicContact CB-CB 4.39Å; Q214-F238 HydrophobicContact CG-CB 4.11Å; Q214-F238 HydrophobicContact CG-CD2 3.84Å; Q214-F238 HydrophobicContact CG-CG 4.28Å; L215-F238 PolarHBondContact N-O 3.38Å; F216-F238 HydrophobicContact CE1-CB 4.33Å; F238-L262 HydrophobicContact CZ-CD1 4.46Å; F238-D263 HydrophobicContact CD1-CB 3.44Å; F238-D263 VanDerWaalsContact CD1-CB 3.44Å; F238-D263 HydrophobicContact CE1-CB 3.88Å; F238-D263 HydrophobicContact CG-CB 4.29Å |
| 239 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 121.2 | 177.7 | 179.1 | 63.3 | 0 | 0 | 0 | 110.4 | L215 F230 L241 F256 M261 D263 L264 Q265 | L215-L239 HydrophobicContact CB-CD1 4.14Å; L215-L239 HydrophobicContact CD2-CD1 3.95Å; L215-L239 HydrophobicContact CG-CD1 4.05Å; F230-L239 HydrophobicContact CE1-CD2 4.03Å; F230-L239 HydrophobicContact CE2-CD2 4.3Å; F230-L239 HydrophobicContact CZ-CD2 3.44Å; F230-L239 VanDerWaalsContact CZ-CD2 3.44Å; L239-L241 HydrophobicContact CD1-CD1 4.04Å; L239-L241 HydrophobicContact CD1-CG 4.18Å; L239-L241 HydrophobicContact CD2-CD1 3.77Å; L239-L241 HydrophobicContact CG-CD1 3.91Å; L239-L241 HydrophobicContact CG-CG 4.29Å; L239-F256 HydrophobicContact CD2-CD1 4.14Å; L239-F256 HydrophobicContact CD2-CE1 3.65Å; L239-M261 HydrophobicContact CB-CE 4.45Å; L239-M261 HydrophobicContact CD2-CE 4.33Å; L239-D263 PolarHBondContact N-O 2.72Å; L239-L264 HydrophobicContact CB-CD1 4.16Å; L239-L264 HydrophobicContact CD2-CD1 3.82Å; L239-L264 HydrophobicContact CG-CD1 4.17Å; L239-Q265 PolarHBondContact O-N 3.28Å |
| 240 | R | 98.9 | Very high | 97.7 | Very high | 88 Ų | 88 | 44.7 Ų | 44.7 | 33% | 0.332 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 120.5 | 175.2 | -61.4 | 179.1 | 50.4 | 149.6 | 9.4 | 111.3 | L215 F216 L217 D218 Q265 | L215-R240 PolarHBondContact O-N 2.85Å; F216-R240 HydrophobicContact CD1-CB 4.01Å; F216-R240 VanDerWaalsContact CD1-CD 3.5Å; F216-R240 HydrophobicContact CD1-CG 3.74Å; F216-R240 HydrophobicContact CE1-CG 4.14Å; L217-R240 CarbonylContact C-O 3.33Å; L217-R240 WeakPolarHBondContact CA-O 3.35Å; L217-R240 WeakPolarHBondContact CB-O 3.3Å; L217-R240 PolarHBondContact N-O 3.31Å; D218-R240 IonicContact OD1-CZ 3.87Å; D218-R240 IonicContact OD1-NE 2.9Å; D218-R240 PolarHBondContact OD1-NE 3.37Å; D218-R240 IonicContact OD1-NH2 3.61Å; D218-R240 PolarHBondContact OD1-NH2 3.27Å; D218-R240 WeakPolarHBondContact OD2-CB 3.39Å; D218-R240 IonicContact OD2-CZ 3.77Å; D218-R240 IonicContact OD2-NE 3.7Å; D218-R240 PolarHBondContact OD2-NE 2.96Å; D218-R240 IonicContact OD2-NH2 3.68Å; R240-Q265 HydrophobicContact CB-CB 4.5Å; R240-Q265 HydrophobicContact CG-CB 4.26Å; R240-Q265 HydrophobicContact CG-CG 3.96Å |
| 241 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -131.8 | 21.9 | -179 | -80.9 | 163 | 0 | 0 | 0 | 111.2 | M204 L217 I222 I225 L239 N244 L246 Q265 L266 N269 | M204-L241 HydrophobicContact SD-CD1 4.42Å; M204-L241 HydrophobicContact SD-CD2 3.9Å; L217-L241 HydrophobicContact CB-CD2 3.74Å; L217-L241 HydrophobicContact CB-CG 4.48Å; L217-L241 HydrophobicContact CD1-CD2 3.88Å; L217-L241 HydrophobicContact CG-CD2 4.48Å; I222-L241 HydrophobicContact CD1-CD2 3.79Å; I225-L241 HydrophobicContact CD1-CD1 4.13Å; L239-L241 HydrophobicContact CD1-CD1 4.04Å; L239-L241 HydrophobicContact CD1-CG 4.18Å; L239-L241 HydrophobicContact CD2-CD1 3.77Å; L239-L241 HydrophobicContact CG-CD1 3.91Å; L239-L241 HydrophobicContact CG-CG 4.29Å; L241-N244 PolarHBondContact O-ND2 3.3Å; L241-L246 HydrophobicContact CB-CD1 4.03Å; L241-L246 HydrophobicContact CD1-CD1 4.04Å; L241-L246 HydrophobicContact CD2-CD1 4.34Å; L241-L246 HydrophobicContact CG-CD1 4.38Å; L241-Q265 PolarHBondContact N-O 3.33Å; L241-L266 HydrophobicContact CB-CD2 3.82Å; L241-L266 HydrophobicContact CD1-CD2 4.09Å; L241-N269 PolarHBondContact O-ND2 2.99Å | ||
| 242 | N | 98.9 | Very high | 97.7 | Very high | 9 Ų | 9 | 40 Ų | 40 | 5% | 0.048 | 23% | 0.233 | C | C | . | . | trans | -59.6 | 153.2 | -179.9 | -54.8 | -51.7 | 0 | 0 | 0 | 111.8 | D218 G219 N244 Q265 L266 S267 | D218-N242 CarbonylContact C-O 3.36Å; D218-N242 WeakPolarHBondContact CA-O 3.06Å; D218-N242 HydrophobicContact CB-CB 4.46Å; D218-N242 WeakPolarHBondContact OD1-CB 3.41Å; D218-N242 PolarHBondContact OD1-ND2 3.5Å; G219-N242 PolarHBondContact N-O 3.29Å; N242-N244 PolarHBondContact O-N 2.84Å; N242-N244 PolarHBondContact O-ND2 2.83Å; N242-Q265 VanDerWaalsContact ND2-CB 3.34Å; N242-Q265 WeakPolarHBondContact ND2-CB 3.25Å; N242-Q265 PolarHBondContact ND2-OE1 2.86Å; N242-Q265 WeakPolarHBondContact OD1-CB 3.42Å; N242-Q265 PolarHBondContact OD1-O 3.21Å; N242-L266 PolarHBondContact OD1-N 3.25Å; N242-S267 CarbonylContact C-O 3.23Å; N242-S267 WeakPolarHBondContact CA-O 3.42Å; N242-S267 VanDerWaalsContact OD1-CB 3.32Å; N242-S267 WeakPolarHBondContact OD1-CB 3.47Å; N242-S267 PolarHBondContact OD1-N 2.94Å; N242-S267 PolarHBondContact OD1-OG 2.81Å | ||
| 243 | H | 98.9 | Very high | 97.5 | Very high | 101 Ų | 101 | 46.5 Ų | 46.5 | 47% | 0.468 | 25% | 0.249 | S | C | . | . | S | Bend | trans | 52.8 | 53 | 178.1 | -59.1 | -81.5 | 0 | 0 | 0 | 112.5 | G219 N220 S267 H268 | G219-H243 WeakPolarHBondContact CA-O 3.45Å; G219-H243 PolarHBondContact N-O 2.83Å; N220-H243 PolarHBondContact N-O 2.96Å; H243-S267 PolarHBondContact N-O 3.16Å; H243-H268 WeakPolarHBondContact CA-O 3.44Å; H243-H268 HydrophobicContact CB-CB 4.41Å; H243-H268 AromaticContact CE1-CD2 3.17Å; H243-H268 PolarHBondContact CE1-CD2 3.02Å; H243-H268 AromaticContact CE1-CE1 3.89Å; H243-H268 AromaticContact CE1-CG 3.2Å; H243-H268 AromaticContact CE1-ND1 3.67Å; H243-H268 AromaticContact CE1-NE2 3.6Å; H243-H268 PolarHBondContact N-O 2.99Å; H243-H268 VanDerWaalsContact ND1-CB 3.29Å; H243-H268 WeakPolarHBondContact ND1-CB 3.29Å; H243-H268 AromaticContact ND1-CD2 3.86Å; H243-H268 AromaticContact ND1-CG 3.46Å; H243-H268 AromaticContact NE2-CD2 3.43Å; H243-H268 PolarHBondContact NE2-CD2 2.98Å; H243-H268 AromaticContact NE2-CG 3.87Å; H243-H268 AromaticContact NE2-NE2 3.98Å |
| 244 | N | 98.9 | Very high | 97.1 | Very high | 12 Ų | 12 | 49.9 Ų | 49.9 | 6% | 0.064 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -119.7 | -164.6 | 171.7 | -85.3 | -80 | 0 | 0 | 0 | 109.3 | L217 N220 N221 I222 L241 N242 H268 N269 | L217-N244 PolarHBondContact O-ND2 3.02Å; N220-N244 WeakPolarHBondContact CA-OD1 3.5Å; N220-N244 WeakPolarHBondContact CB-OD1 3.5Å; N220-N244 PolarHBondContact N-OD1 3.01Å; N220-N244 PolarHBondContact O-OD1 3.41Å; N221-N244 PolarHBondContact N-OD1 3.27Å; I222-N244 HydrophobicContact CB-CB 4.34Å; I222-N244 WeakPolarHBondContact CB-OD1 3.21Å; I222-N244 WeakPolarHBondContact CG1-OD1 3.47Å; I222-N244 PolarHBondContact N-OD1 2.98Å; L241-N244 PolarHBondContact O-ND2 3.3Å; N242-N244 PolarHBondContact O-N 2.84Å; N242-N244 PolarHBondContact O-ND2 2.83Å; N244-H268 PolarHBondContact N-O 3.03Å; N244-N269 VanDerWaalsContact CA-OD1 3.31Å; N244-N269 WeakPolarHBondContact CA-OD1 3.35Å; N244-N269 WeakPolarHBondContact CB-OD1 3.36Å; N244-N269 PolarHBondContact N-OD1 2.81Å; N244-N269 PolarHBondContact O-OD1 2.97Å |
| 245 | K | 98.6 | Very high | 97 | Very high | 86 Ų | 86 | 46.9 Ų | 46.9 | 37% | 0.374 | 25% | 0.247 | S | C | . | . | trans | -115.6 | 23.9 | -179.8 | -61.5 | 179.9 | -174.6 | 173.7 | 0 | 111.8 | N221 I222 E223 G247 N269 Q270 | N221-K245 HydrophobicContact CB-CD 4.39Å; N221-K245 WeakPolarHBondContact OD1-CE 3.48Å; N221-K245 PolarHBondContact OD1-NZ 3.26Å; I222-K245 CarbonylContact O-C 3.49Å; I222-K245 VanDerWaalsContact O-C 3.22Å; I222-K245 WeakPolarHBondContact O-CA 3.47Å; I222-K245 PolarHBondContact O-N 3.09Å; E223-K245 HydrophobicContact CG-CB 3.73Å; E223-K245 HydrophobicContact CG-CD 4.24Å; K245-G247 PolarHBondContact O-N 3.05Å; K245-N269 PolarHBondContact N-OD1 3.05Å; K245-Q270 PolarHBondContact O-NE2 3Å | ||
| 246 | L | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -65.5 | 122.2 | -177.2 | -70.9 | 164.3 | 0 | 0 | 0 | 110.1 | I222 I225 L241 I251 L266 N269 Q270 L271 | I222-L246 HydrophobicContact CG2-CD2 4.12Å; I222-L246 PolarHBondContact O-N 3.03Å; I222-L246 VanDerWaalsContact O-N 3.17Å; I225-L246 HydrophobicContact CG1-CD2 4.03Å; L241-L246 HydrophobicContact CB-CD1 4.03Å; L241-L246 HydrophobicContact CD1-CD1 4.04Å; L241-L246 HydrophobicContact CD2-CD1 4.34Å; L241-L246 HydrophobicContact CG-CD1 4.38Å; L246-I251 HydrophobicContact CD2-CG1 4.48Å; L246-L266 HydrophobicContact CD1-CD2 3.89Å; L246-N269 HydrophobicContact CB-CB 4.26Å; L246-N269 WeakPolarHBondContact CB-OD1 3.5Å; L246-N269 PolarHBondContact N-OD1 2.85Å; L246-Q270 CarbonylContact O-C 3.22Å; L246-Q270 WeakPolarHBondContact O-CA 3.32Å; L246-Q270 WeakPolarHBondContact O-CB 3.5Å; L246-Q270 PolarHBondContact O-N 3.12Å; L246-L271 HydrophobicContact CB-CD2 4.25Å | ||
| 247 | G | 97.9 | Very high | 96.4 | Very high | 21 Ų | 21 | 45.9 Ų | 45.9 | 22% | 0.216 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -101.3 | 161.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | K245 A249 G250 | K245-G247 PolarHBondContact O-N 3.05Å; G247-A249 VanDerWaalsContact C-N 3.27Å; G247-A249 PolarHBondContact O-N 2.96Å; G247-G250 WeakPolarHBondContact O-CA 3.49Å; G247-G250 PolarHBondContact O-N 3.3Å |
| 248 | S | 96.2 | Very high | 96 | Very high | 12 Ų | 12 | 46.7 Ų | 46.7 | 8% | 0.084 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -57.4 | -37.8 | -179.6 | -63.2 | 0 | 0 | 0 | 0 | 113.1 | G250 I251 T272 E273 | S248-G250 PolarHBondContact O-N 3.25Å; S248-I251 PolarHBondContact O-N 2.99Å; S248-T272 PolarHBondContact OG-N 3.19Å; S248-T272 PolarHBondContact OG-OG1 3.22Å; S248-E273 PolarHBondContact OG-N 2.81Å |
| 249 | A | 96.3 | Very high | 95.6 | Very high | 112 Ų | 112 | 48.9 Ų | 48.9 | 93% | 0.926 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -65.2 | -19.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | G247 I251 | G247-A249 VanDerWaalsContact C-N 3.27Å; G247-A249 PolarHBondContact O-N 2.96Å; A249-I251 VanDerWaalsContact C-N 3.34Å |
| 250 | G | 96.4 | Very high | 95.5 | Very high | 15 Ų | 15 | 50.3 Ų | 50.3 | 16% | 0.155 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -85.7 | -4.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | K224 I225 G247 S248 | K224-G250 CarbonylContact C-O 3.22Å; K224-G250 VanDerWaalsContact CA-O 3.28Å; K224-G250 WeakPolarHBondContact CA-O 3.25Å; I225-G250 PolarHBondContact N-O 3.17Å; G247-G250 WeakPolarHBondContact O-CA 3.49Å; G247-G250 PolarHBondContact O-N 3.3Å; S248-G250 PolarHBondContact O-N 3.25Å |
| 251 | I | 97.1 | Very high | 95.4 | Very high | 22 Ų | 22 | 46.1 Ų | 46.1 | 11% | 0.113 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -107.6 | 109 | 177.9 | -61.9 | -173.8 | 0 | 0 | 0 | 108 | I225 L246 S248 A249 I255 F256 L271 P275 | I225-I251 HydrophobicContact CD1-CG1 4.5Å; L246-I251 HydrophobicContact CD2-CG1 4.48Å; S248-I251 PolarHBondContact O-N 2.99Å; A249-I251 VanDerWaalsContact C-N 3.34Å; I251-I255 HydrophobicContact CG2-CG2 3.59Å; I251-F256 HydrophobicContact CD1-CE2 4.13Å; I251-F256 HydrophobicContact CD1-CZ 4.38Å; I251-F256 HydrophobicContact CG2-CD2 4.4Å; I251-F256 HydrophobicContact CG2-CE2 3.73Å; I251-F256 HydrophobicContact CG2-CZ 4.3Å; I251-L271 HydrophobicContact CD1-CD1 4.34Å; I251-L271 HydrophobicContact CD1-CD2 3.48Å; I251-L271 VanDerWaalsContact CD1-CD2 3.48Å; I251-L271 HydrophobicContact CG1-CD2 4.37Å; I251-P275 HydrophobicContact CG2-CB 4.49Å |
| 252 | P | 96.1 | Very high | 95.3 | Very high | 39 Ų | 39 | 49.1 Ų | 49.1 | 25% | 0.253 | 28% | 0.284 | S | S | . | . | trans | -58.5 | 145.7 | 174.7 | -21.5 | 31.6 | 0 | 0 | 0 | 111.3 | I225 D254 I255 | I225-P252 VanDerWaalsContact O-CD 3.26Å; I225-P252 WeakPolarHBondContact O-CD 3.13Å; I225-P252 VanDerWaalsContact O-CG 3.22Å; I225-P252 WeakPolarHBondContact O-CG 3.4Å; P252-D254 PolarHBondContact O-N 2.99Å; P252-I255 HydrophobicContact CB-CB 4.17Å; P252-I255 HydrophobicContact CG-CB 4.5Å; P252-I255 HydrophobicContact CG-CG1 4.43Å; P252-I255 VanDerWaalsContact O-CB 3.3Å; P252-I255 WeakPolarHBondContact O-CB 3.34Å; P252-I255 WeakPolarHBondContact O-CG2 3.34Å; P252-I255 PolarHBondContact O-N 3.13Å | ||
| 253 | K | 89.9 | Confident | 95.3 | Very high | 177 Ų | 177 | 49.5 Ų | 49.5 | 77% | 0.77 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 138.2 | 176.1 | -165.8 | -176.3 | 172.5 | 179.1 | 0 | 110 | I255 | K253-I255 PolarHBondContact O-N 3.21Å; K253-I255 VanDerWaalsContact O-N 3.08Å |
| 254 | D | 88.6 | Confident | 95.3 | Very high | 77 Ų | 77 | 44.7 Ų | 44.7 | 41% | 0.412 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 10.8 | 177.9 | -48.3 | -44.8 | 0 | 0 | 0 | 115.4 | P252 F256 N257 | P252-D254 PolarHBondContact O-N 2.99Å; D254-F256 PolarHBondContact O-N 3.05Å; D254-N257 HydrophobicContact CB-CB 4.28Å; D254-N257 VanDerWaalsContact O-CB 3.26Å; D254-N257 WeakPolarHBondContact O-CB 3.31Å; D254-N257 PolarHBondContact O-N 2.84Å |
| 255 | I | 95.2 | Very high | 95.3 | Very high | 16 Ų | 16 | 45.5 Ų | 45.5 | 8% | 0.082 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -32.4 | -175.4 | -166 | 56.8 | 0 | 0 | 0 | 113.3 | I225 F230 I251 P252 K253 | I225-I255 HydrophobicContact CG2-CD1 4.44Å; I225-I255 HydrophobicContact CG2-CG1 3.82Å; F230-I255 HydrophobicContact CD2-CD1 4.13Å; F230-I255 HydrophobicContact CD2-CG1 3.88Å; F230-I255 VanDerWaalsContact CD2-O 3.23Å; F230-I255 WeakPolarHBondContact CD2-O 3.24Å; F230-I255 HydrophobicContact CE2-CG1 4.02Å; I251-I255 HydrophobicContact CG2-CG2 3.59Å; P252-I255 HydrophobicContact CB-CB 4.17Å; P252-I255 HydrophobicContact CG-CB 4.5Å; P252-I255 HydrophobicContact CG-CG1 4.43Å; P252-I255 VanDerWaalsContact O-CB 3.3Å; P252-I255 WeakPolarHBondContact O-CB 3.34Å; P252-I255 WeakPolarHBondContact O-CG2 3.34Å; P252-I255 PolarHBondContact O-N 3.13Å; K253-I255 PolarHBondContact O-N 3.21Å; K253-I255 VanDerWaalsContact O-N 3.08Å |
| 256 | F | 93.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 0% | 0.004 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 0.2 | 178.2 | -57.3 | -55.2 | 0 | 0 | 0 | 113.4 | I225 F230 L239 I251 D254 I258 M261 L264 L266 P275 P278 | I225-F256 HydrophobicContact CD1-CE1 3.72Å; I225-F256 HydrophobicContact CD1-CZ 3.5Å; F230-F256 AromaticContact CE2-CD1 3.93Å; F230-F256 HydrophobicContact CE2-CD1 3.93Å; F230-F256 AromaticContact CE2-CE1 3.98Å; F230-F256 HydrophobicContact CE2-CE1 3.98Å; F230-F256 HydrophobicContact CZ-CD1 4.48Å; F230-F256 HydrophobicContact CZ-CE1 4.34Å; L239-F256 HydrophobicContact CD2-CD1 4.14Å; L239-F256 HydrophobicContact CD2-CE1 3.65Å; I251-F256 HydrophobicContact CD1-CE2 4.13Å; I251-F256 HydrophobicContact CD1-CZ 4.38Å; I251-F256 HydrophobicContact CG2-CD2 4.4Å; I251-F256 HydrophobicContact CG2-CE2 3.73Å; I251-F256 HydrophobicContact CG2-CZ 4.3Å; D254-F256 PolarHBondContact O-N 3.05Å; F256-I258 PolarHBondContact O-N 2.71Å; F256-M261 HydrophobicContact CB-CE 4.34Å; F256-M261 HydrophobicContact CB-SD 4.2Å; F256-M261 HydrophobicContact CD1-CE 4.01Å; F256-L264 HydrophobicContact CB-CD2 4.26Å; F256-L264 HydrophobicContact CD1-CD1 4.17Å; F256-L264 HydrophobicContact CD1-CD2 4.26Å; F256-L264 HydrophobicContact CD2-CD2 3.81Å; F256-L264 HydrophobicContact CE1-CD1 4.01Å; F256-L264 HydrophobicContact CE2-CD2 4.15Å; F256-L264 HydrophobicContact CG-CD2 3.85Å; F256-L264 HydrophobicContact CZ-CD1 4.27Å; F256-L266 HydrophobicContact CE2-CD1 3.9Å; F256-L266 HydrophobicContact CZ-CD1 4.11Å; F256-L266 HydrophobicContact CZ-CD2 4.29Å; F256-P275 HydrophobicContact CD2-CB 3.94Å; F256-P275 HydrophobicContact CD2-CG 4.18Å; F256-P275 HydrophobicContact CE2-CB 4.04Å; F256-P275 HydrophobicContact CE2-CG 4.16Å; F256-P278 VanDerWaalsContact O-CD 3.25Å; F256-P278 WeakPolarHBondContact O-CD 3.49Å; F256-P278 WeakPolarHBondContact O-CG 3.38Å |
| 257 | N | 88.2 | Confident | 95.3 | Very high | 96 Ų | 96 | 41.8 Ų | 41.8 | 51% | 0.513 | 25% | 0.252 | S | S | . | . | trans | -75.6 | 66.2 | -180 | -168.5 | 15.5 | 0 | 0 | 0 | 111.3 | D254 | D254-N257 HydrophobicContact CB-CB 4.28Å; D254-N257 VanDerWaalsContact O-CB 3.26Å; D254-N257 WeakPolarHBondContact O-CB 3.31Å; D254-N257 PolarHBondContact O-N 2.84Å | ||
| 258 | I | 91.3 | Very high | 95.4 | Very high | 26 Ų | 26 | 44 Ų | 44 | 13% | 0.133 | 26% | 0.257 | C | S | . | . | trans | -117.4 | 130.7 | 176.2 | 67.4 | -176.6 | 0 | 0 | 0 | 109 | F230 M236 F256 S260 M261 P278 | F230-I258 HydrophobicContact CB-CD1 4.18Å; F230-I258 HydrophobicContact CB-CG2 3.84Å; F230-I258 HydrophobicContact CD1-CD1 4.25Å; F230-I258 HydrophobicContact CG-CD1 4.22Å; M236-I258 HydrophobicContact CB-CD1 3.76Å; M236-I258 HydrophobicContact CG-CD1 4.18Å; F256-I258 PolarHBondContact O-N 2.71Å; I258-S260 PolarHBondContact O-N 3.18Å; I258-M261 HydrophobicContact CD1-CB 4.15Å; I258-M261 HydrophobicContact CD1-CE 3.54Å; I258-M261 HydrophobicContact CG1-CB 3.63Å; I258-M261 HydrophobicContact CG1-CE 3.89Å; I258-M261 PolarHBondContact O-N 3.3Å; I258-P278 WeakPolarHBondContact O-CB 3.4Å; I258-P278 WeakPolarHBondContact O-CG 3.28Å | ||
| 259 | S | 90.9 | Very high | 95.5 | Very high | 116 Ų | 116 | 44.1 Ų | 44.1 | 81% | 0.811 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -18.4 | -171.5 | 55.4 | 0 | 0 | 0 | 0 | 114.4 | ||
| 260 | S | 95.6 | Very high | 95.6 | Very high | 31 Ų | 31 | 42.9 Ų | 42.9 | 22% | 0.217 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -13.3 | 179.6 | 46.6 | 0 | 0 | 0 | 0 | 114.2 | P234 M236 A237 I258 L262 | P234-S260 WeakPolarHBondContact O-CB 3.17Å; P234-S260 PolarHBondContact O-OG 2.98Å; M236-S260 CarbonylContact O-C 3.34Å; M236-S260 PolarHBondContact O-OG 3.17Å; M236-S260 VanDerWaalsContact O-OG 3.13Å; A237-S260 WeakPolarHBondContact CA-O 3.46Å; A237-S260 WeakPolarHBondContact CB-O 3.36Å; I258-S260 PolarHBondContact O-N 3.18Å; S260-L262 PolarHBondContact O-N 3.01Å |
| 261 | M | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -72.6 | 129 | -174.7 | -170.9 | 173.7 | -71.2 | 0 | 0 | 112 | M236 L239 F256 I258 L264 P278 G280 L281 | M236-M261 WeakPolarHBondContact O-CA 3.37Å; M236-M261 PolarHBondContact O-N 3.39Å; L239-M261 HydrophobicContact CB-CE 4.45Å; L239-M261 HydrophobicContact CD2-CE 4.33Å; F256-M261 HydrophobicContact CB-CE 4.34Å; F256-M261 HydrophobicContact CB-SD 4.2Å; F256-M261 HydrophobicContact CD1-CE 4.01Å; I258-M261 HydrophobicContact CD1-CB 4.15Å; I258-M261 HydrophobicContact CD1-CE 3.54Å; I258-M261 HydrophobicContact CG1-CB 3.63Å; I258-M261 HydrophobicContact CG1-CE 3.89Å; I258-M261 PolarHBondContact O-N 3.3Å; M261-L264 HydrophobicContact SD-CB 3.95Å; M261-L264 HydrophobicContact SD-CD1 4.24Å; M261-L264 HydrophobicContact SD-CD2 4.15Å; M261-L264 HydrophobicContact SD-CG 4.35Å; M261-P278 HydrophobicContact CB-CG 4.01Å; M261-G280 CarbonylContact O-C 3.54Å; M261-L281 HydrophobicContact CG-CD1 3.69Å; M261-L281 HydrophobicContact SD-CD1 4.11Å | ||
| 262 | L | 97.9 | Very high | 95.6 | Very high | 63 Ų | 63 | 45 Ų | 45 | 33% | 0.33 | 24% | 0.243 | S | C | . | . | trans | -118.4 | -32.7 | -179.6 | -59.6 | 178.4 | 0 | 0 | 0 | 112.4 | A237 F238 S260 E282 H283 | A237-L262 HydrophobicContact CB-CD1 4.41Å; A237-L262 HydrophobicContact CB-CG 4.42Å; A237-L262 PolarHBondContact O-N 3.41Å; F238-L262 HydrophobicContact CZ-CD1 4.46Å; S260-L262 PolarHBondContact O-N 3.01Å; L262-E282 HydrophobicContact CD2-CG 4.5Å; L262-E282 PolarHBondContact O-N 2.99Å; L262-H283 PolarHBondContact O-N 3.12Å | ||
| 263 | D | 98.6 | Very high | 95.5 | Very high | 16 Ų | 16 | 48.5 Ų | 48.5 | 9% | 0.086 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 121.1 | -175.5 | -167.7 | -77.6 | 0 | 0 | 0 | 110.4 | A237 F238 L239 Q265 H283 | A237-D263 PolarHBondContact O-N 3.09Å; F238-D263 HydrophobicContact CD1-CB 3.44Å; F238-D263 VanDerWaalsContact CD1-CB 3.44Å; F238-D263 HydrophobicContact CE1-CB 3.88Å; F238-D263 HydrophobicContact CG-CB 4.29Å; L239-D263 PolarHBondContact N-O 2.72Å; D263-Q265 WeakPolarHBondContact OD1-CG 3.5Å; D263-Q265 PolarHBondContact OD1-NE2 3.43Å; D263-H283 WeakPolarHBondContact OD2-CB 3.22Å; D263-H283 IonicContact OD2-CG 2.83Å; D263-H283 IonicContact OD2-ND1 3.74Å |
| 264 | L | 98.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 117.6 | 178.8 | 179.2 | 59.1 | 0 | 0 | 0 | 109.9 | L239 F256 M261 L266 L281 H283 L284 Y285 | L239-L264 HydrophobicContact CB-CD1 4.16Å; L239-L264 HydrophobicContact CD2-CD1 3.82Å; L239-L264 HydrophobicContact CG-CD1 4.17Å; F256-L264 HydrophobicContact CB-CD2 4.26Å; F256-L264 HydrophobicContact CD1-CD1 4.17Å; F256-L264 HydrophobicContact CD1-CD2 4.26Å; F256-L264 HydrophobicContact CD2-CD2 3.81Å; F256-L264 HydrophobicContact CE1-CD1 4.01Å; F256-L264 HydrophobicContact CE2-CD2 4.15Å; F256-L264 HydrophobicContact CG-CD2 3.85Å; F256-L264 HydrophobicContact CZ-CD1 4.27Å; M261-L264 HydrophobicContact SD-CB 3.95Å; M261-L264 HydrophobicContact SD-CD1 4.24Å; M261-L264 HydrophobicContact SD-CD2 4.15Å; M261-L264 HydrophobicContact SD-CG 4.35Å; L264-L266 HydrophobicContact CD1-CD1 4.08Å; L264-L266 HydrophobicContact CD1-CD2 4.46Å; L264-L266 HydrophobicContact CD1-CG 4.02Å; L264-L266 HydrophobicContact CD2-CD1 3.88Å; L264-L266 HydrophobicContact CG-CD1 3.9Å; L264-L266 HydrophobicContact CG-CG 4.11Å; L264-L281 HydrophobicContact CB-CD1 3.88Å; L264-L281 HydrophobicContact CB-CD2 4.32Å; L264-H283 PolarHBondContact N-O 3.09Å; L264-L284 HydrophobicContact CB-CD1 4.12Å; L264-L284 HydrophobicContact CD2-CD1 3.97Å; L264-L284 HydrophobicContact CG-CD1 4.05Å; L264-L284 WeakPolarHBondContact O-CA 3.41Å; L264-Y285 PolarHBondContact O-N 3.35Å |
| 265 | Q | 98.8 | Very high | 95.9 | Very high | 29 Ų | 29 | 37.8 Ų | 37.8 | 14% | 0.136 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 115.9 | -179.9 | -40.9 | -169.4 | 3.9 | 0 | 0 | 111.1 | L239 R240 L241 N242 D263 Y285 | L239-Q265 PolarHBondContact O-N 3.28Å; R240-Q265 HydrophobicContact CB-CB 4.5Å; R240-Q265 HydrophobicContact CG-CB 4.26Å; R240-Q265 HydrophobicContact CG-CG 3.96Å; L241-Q265 PolarHBondContact N-O 3.33Å; N242-Q265 VanDerWaalsContact ND2-CB 3.34Å; N242-Q265 WeakPolarHBondContact ND2-CB 3.25Å; N242-Q265 PolarHBondContact ND2-OE1 2.86Å; N242-Q265 WeakPolarHBondContact OD1-CB 3.42Å; N242-Q265 PolarHBondContact OD1-O 3.21Å; D263-Q265 WeakPolarHBondContact OD1-CG 3.5Å; D263-Q265 PolarHBondContact OD1-NE2 3.43Å; Q265-Y285 HydrophobicContact CB-CD2 4.4Å; Q265-Y285 HydrophobicContact CG-CD2 3.76Å; Q265-Y285 HydrophobicContact CG-CE2 4.3Å; Q265-Y285 HydrophobicContact CG-CG 4.4Å |
| 266 | L | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -129.8 | 18.9 | -176 | -68.1 | 168.1 | 0 | 0 | 0 | 111.4 | L241 N242 L246 F256 L264 N269 L271 P275 Y285 L286 N289 | L241-L266 HydrophobicContact CB-CD2 3.82Å; L241-L266 HydrophobicContact CD1-CD2 4.09Å; N242-L266 PolarHBondContact OD1-N 3.25Å; L246-L266 HydrophobicContact CD1-CD2 3.89Å; F256-L266 HydrophobicContact CE2-CD1 3.9Å; F256-L266 HydrophobicContact CZ-CD1 4.11Å; F256-L266 HydrophobicContact CZ-CD2 4.29Å; L264-L266 HydrophobicContact CD1-CD1 4.08Å; L264-L266 HydrophobicContact CD1-CD2 4.46Å; L264-L266 HydrophobicContact CD1-CG 4.02Å; L264-L266 HydrophobicContact CD2-CD1 3.88Å; L264-L266 HydrophobicContact CG-CD1 3.9Å; L264-L266 HydrophobicContact CG-CG 4.11Å; L266-N269 PolarHBondContact O-ND2 2.85Å; L266-L271 HydrophobicContact CB-CD1 4.02Å; L266-L271 HydrophobicContact CD1-CD1 4.16Å; L266-P275 HydrophobicContact CD1-CG 4.06Å; L266-Y285 CarbonylContact C-O 3.18Å; L266-Y285 WeakPolarHBondContact CA-O 3.38Å; L266-Y285 PolarHBondContact N-O 3.25Å; L266-L286 HydrophobicContact CB-CD2 3.83Å; L266-L286 HydrophobicContact CD1-CD2 4.04Å; L266-N289 PolarHBondContact O-ND2 3.21Å | ||
| 267 | S | 98.8 | Very high | 95.6 | Very high | 8 Ų | 8 | 39.2 Ų | 39.2 | 6% | 0.056 | 22% | 0.217 | C | C | . | . | trans | -60.4 | 151.8 | -179.9 | -49.7 | 0 | 0 | 0 | 0 | 111.9 | N242 H243 N269 Y285 D287 | N242-S267 CarbonylContact C-O 3.23Å; N242-S267 WeakPolarHBondContact CA-O 3.42Å; N242-S267 VanDerWaalsContact OD1-CB 3.32Å; N242-S267 WeakPolarHBondContact OD1-CB 3.47Å; N242-S267 PolarHBondContact OD1-N 2.94Å; N242-S267 PolarHBondContact OD1-OG 2.81Å; H243-S267 PolarHBondContact N-O 3.16Å; S267-N269 PolarHBondContact O-ND2 3.04Å; S267-Y285 PolarHBondContact N-O 2.6Å; S267-Y285 WeakPolarHBondContact OG-CB 3.27Å; S267-D287 CarbonylContact C-O 3.49Å; S267-D287 WeakPolarHBondContact CA-O 3.37Å; S267-D287 WeakPolarHBondContact CB-O 3.47Å; S267-D287 VanDerWaalsContact CB-OD1 3.28Å; S267-D287 WeakPolarHBondContact CB-OD1 3.28Å; S267-D287 PolarHBondContact OG-OD1 2.88Å | ||
| 268 | H | 98.8 | Very high | 95.8 | Very high | 69 Ų | 69 | 34.8 Ų | 34.8 | 32% | 0.319 | 19% | 0.194 | S | C | . | . | S | Bend | trans | 55 | 54.8 | 179.5 | -62.4 | -85.9 | 0 | 0 | 0 | 112.8 | H243 N244 D287 H288 | H243-H268 WeakPolarHBondContact CA-O 3.44Å; H243-H268 HydrophobicContact CB-CB 4.41Å; H243-H268 AromaticContact CE1-CD2 3.17Å; H243-H268 PolarHBondContact CE1-CD2 3.02Å; H243-H268 AromaticContact CE1-CE1 3.89Å; H243-H268 AromaticContact CE1-CG 3.2Å; H243-H268 AromaticContact CE1-ND1 3.67Å; H243-H268 AromaticContact CE1-NE2 3.6Å; H243-H268 PolarHBondContact N-O 2.99Å; H243-H268 VanDerWaalsContact ND1-CB 3.29Å; H243-H268 WeakPolarHBondContact ND1-CB 3.29Å; H243-H268 AromaticContact ND1-CD2 3.86Å; H243-H268 AromaticContact ND1-CG 3.46Å; H243-H268 AromaticContact NE2-CD2 3.43Å; H243-H268 PolarHBondContact NE2-CD2 2.98Å; H243-H268 AromaticContact NE2-CG 3.87Å; H243-H268 AromaticContact NE2-NE2 3.98Å; N244-H268 PolarHBondContact N-O 3.03Å; H268-D287 PolarHBondContact N-O 3.14Å; H268-H288 WeakPolarHBondContact CA-O 3.31Å; H268-H288 VanDerWaalsContact CE1-CB 3.45Å; H268-H288 WeakPolarHBondContact CE1-CB 3.36Å; H268-H288 AromaticContact CE1-CD2 3.69Å; H268-H288 AromaticContact CE1-CG 3.25Å; H268-H288 AromaticContact CE1-ND1 3.51Å; H268-H288 PolarHBondContact N-O 2.84Å; H268-H288 VanDerWaalsContact ND1-CB 3.31Å; H268-H288 WeakPolarHBondContact ND1-CB 3.25Å; H268-H288 AromaticContact ND1-CG 3.68Å; H268-H288 AromaticContact NE2-CG 3.72Å; H268-H288 AromaticContact NE2-ND1 3.52Å |
| 269 | N | 98.8 | Very high | 95.7 | Very high | 13 Ų | 13 | 35 Ų | 35 | 7% | 0.07 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -123.7 | -158.1 | 171.5 | -83.9 | -76.9 | 0 | 0 | 0 | 109.4 | L241 N244 K245 L246 L266 S267 L271 N289 | L241-N269 PolarHBondContact O-ND2 2.99Å; N244-N269 VanDerWaalsContact CA-OD1 3.31Å; N244-N269 WeakPolarHBondContact CA-OD1 3.35Å; N244-N269 WeakPolarHBondContact CB-OD1 3.36Å; N244-N269 PolarHBondContact N-OD1 2.81Å; N244-N269 PolarHBondContact O-OD1 2.97Å; K245-N269 PolarHBondContact N-OD1 3.05Å; L246-N269 HydrophobicContact CB-CB 4.26Å; L246-N269 WeakPolarHBondContact CB-OD1 3.5Å; L246-N269 PolarHBondContact N-OD1 2.85Å; L266-N269 PolarHBondContact O-ND2 2.85Å; S267-N269 PolarHBondContact O-ND2 3.04Å; N269-L271 HydrophobicContact CB-CG 4.23Å; N269-N289 VanDerWaalsContact CA-OD1 3.24Å; N269-N289 WeakPolarHBondContact CA-OD1 3.12Å; N269-N289 WeakPolarHBondContact CB-OD1 3.41Å; N269-N289 PolarHBondContact N-OD1 2.87Å; N269-N289 PolarHBondContact O-OD1 3.4Å |
| 270 | Q | 98.3 | Very high | 95.8 | Very high | 87 Ų | 87 | 30.1 Ų | 30.1 | 41% | 0.407 | 17% | 0.166 | S | C | . | . | B | Isolated β-bridge | trans | -122.7 | 31.1 | -178.4 | -57.3 | 178.2 | 63.9 | 0 | 0 | 111.2 | K245 L246 N289 | K245-Q270 PolarHBondContact O-NE2 3Å; L246-Q270 CarbonylContact O-C 3.22Å; L246-Q270 WeakPolarHBondContact O-CA 3.32Å; L246-Q270 WeakPolarHBondContact O-CB 3.5Å; L246-Q270 PolarHBondContact O-N 3.12Å; Q270-N289 PolarHBondContact N-OD1 2.83Å |
| 271 | L | 97.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | trans | -71 | 135.2 | -177.8 | -55.2 | -179.1 | 0 | 0 | 0 | 110.8 | L246 I251 L266 N269 L286 N289 K290 I291 | L246-L271 HydrophobicContact CB-CD2 4.25Å; I251-L271 HydrophobicContact CD1-CD1 4.34Å; I251-L271 HydrophobicContact CD1-CD2 3.48Å; I251-L271 VanDerWaalsContact CD1-CD2 3.48Å; I251-L271 HydrophobicContact CG1-CD2 4.37Å; L266-L271 HydrophobicContact CB-CD1 4.02Å; L266-L271 HydrophobicContact CD1-CD1 4.16Å; N269-L271 HydrophobicContact CB-CG 4.23Å; L271-L286 HydrophobicContact CD1-CD2 3.69Å; L271-N289 HydrophobicContact CB-CB 4.17Å; L271-N289 WeakPolarHBondContact CB-OD1 3.28Å; L271-N289 WeakPolarHBondContact CG-OD1 3.25Å; L271-N289 PolarHBondContact N-OD1 2.84Å; L271-K290 CarbonylContact O-C 3.37Å; L271-K290 VanDerWaalsContact O-CA 3.25Å; L271-K290 WeakPolarHBondContact O-CA 3.11Å; L271-K290 WeakPolarHBondContact O-CB 3.25Å; L271-K290 PolarHBondContact O-N 2.99Å; L271-I291 HydrophobicContact CB-CG1 4.43Å; L271-I291 PolarHBondContact O-N 3.22Å | ||
| 272 | T | 96.3 | Very high | 95.8 | Very high | 80 Ų | 80 | 30.6 Ų | 30.6 | 49% | 0.491 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -104.6 | -11.3 | 176.6 | 53.5 | 0 | 0 | 0 | 0 | 112.7 | S248 K290 | S248-T272 PolarHBondContact OG-N 3.19Å; S248-T272 PolarHBondContact OG-OG1 3.22Å; T272-K290 HydrophobicContact CG2-CB 4.24Å |
| 273 | E | 93.8 | Very high | 95.8 | Very high | 113 Ų | 113 | 30.4 Ų | 30.4 | 53% | 0.528 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -141.5 | 154.6 | 179.2 | 74.9 | -163.7 | 167.6 | 0 | 0 | 110.4 | S248 | S248-E273 PolarHBondContact OG-N 2.81Š|
| 274 | V | 93.4 | Very high | 95.7 | Very high | 16 Ų | 16 | 29.6 Ų | 29.6 | 10% | 0.097 | 16% | 0.158 | C | C | . | . | P | Polyproline II helix | trans | -74.7 | 126.5 | 172.6 | 178.9 | 0 | 0 | 0 | 0 | 108.5 | L284 L286 I291 V294 V299 | V274-L284 HydrophobicContact CG1-CD2 4.48Å; V274-L286 HydrophobicContact CB-CD1 4.38Å; V274-L286 HydrophobicContact CG1-CD1 3.84Å; V274-L286 HydrophobicContact CG2-CD1 4.1Å; V274-I291 HydrophobicContact CG2-CD1 4.11Å; V274-I291 HydrophobicContact CG2-CG2 4.2Å; V274-V294 HydrophobicContact CG2-CG1 4.12Å; V274-V294 HydrophobicContact CG2-CG2 3.85Å; V274-V299 HydrophobicContact CB-CG2 3.64Å; V274-V299 HydrophobicContact CG1-CB 4.32Å; V274-V299 HydrophobicContact CG1-CG1 3.72Å; V274-V299 HydrophobicContact CG1-CG2 3.54Å; V274-V299 HydrophobicContact CG2-CG2 4.37Å |
| 275 | P | 93.3 | Very high | 95.7 | Very high | 13 Ų | 13 | 32.2 Ų | 32.2 | 8% | 0.084 | 17% | 0.168 | C | C | . | . | P | Polyproline II helix | trans | -68.9 | 158.2 | 178.8 | 29.9 | -35.6 | 0 | 0 | 0 | 111.5 | I251 F256 L266 I277 | I251-P275 HydrophobicContact CG2-CB 4.49Å; F256-P275 HydrophobicContact CD2-CB 3.94Å; F256-P275 HydrophobicContact CD2-CG 4.18Å; F256-P275 HydrophobicContact CE2-CB 4.04Å; F256-P275 HydrophobicContact CE2-CG 4.16Å; L266-P275 HydrophobicContact CD1-CG 4.06Å; P275-I277 PolarHBondContact O-N 3.27Å |
| 276 | V | 90.8 | Very high | 95.7 | Very high | 45 Ų | 45 | 30.8 Ų | 30.8 | 27% | 0.273 | 16% | 0.161 | S | C | . | . | P | Polyproline II helix | trans | -63.8 | 129.8 | 169.4 | -178.2 | 0 | 0 | 0 | 0 | 108.9 | ||
| 277 | I | 91.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | trans | -116.5 | 153.9 | -176.7 | 55.1 | 163.1 | 0 | 0 | 0 | 111.3 | P275 L281 L284 V299 P301 L318 F340 | P275-I277 PolarHBondContact O-N 3.27Å; I277-L281 HydrophobicContact CB-CD2 3.82Å; I277-L281 HydrophobicContact CD1-CD2 4.05Å; I277-L281 HydrophobicContact CG2-CD2 3.7Å; I277-L284 HydrophobicContact CD1-CD2 4.3Å; I277-L284 HydrophobicContact CG2-CD2 4Å; I277-V299 HydrophobicContact CD1-CG1 4.26Å; I277-V299 HydrophobicContact CG1-CG1 4.3Å; I277-P301 WeakPolarHBondContact O-CB 3.3Å; I277-L318 HydrophobicContact CD1-CD2 4.3Å; I277-F340 HydrophobicContact CD1-CE1 3.85Å; I277-F340 HydrophobicContact CD1-CZ 3.73Å; I277-F340 HydrophobicContact CG1-CZ 4.5Å | ||
| 278 | P | 91.6 | Very high | 95.6 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.019 | 18% | 0.178 | C | C | . | . | trans | -77.2 | 154.4 | 176.3 | 28.9 | -28.6 | 0 | 0 | 0 | 111.4 | F256 I258 M261 G280 L281 | F256-P278 VanDerWaalsContact O-CD 3.25Å; F256-P278 WeakPolarHBondContact O-CD 3.49Å; F256-P278 WeakPolarHBondContact O-CG 3.38Å; I258-P278 WeakPolarHBondContact O-CB 3.4Å; I258-P278 WeakPolarHBondContact O-CG 3.28Å; M261-P278 HydrophobicContact CB-CG 4.01Å; P278-G280 PolarHBondContact O-N 3.24Å; P278-L281 HydrophobicContact CG-CB 4.15Å; P278-L281 WeakPolarHBondContact O-CB 3.46Å; P278-L281 PolarHBondContact O-N 2.76Å | ||
| 279 | S | 90.7 | Very high | 95.6 | Very high | 31 Ų | 31 | 31.8 Ų | 31.8 | 22% | 0.217 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -30.7 | 177.3 | 59.1 | 0 | 0 | 0 | 0 | 113.2 | L281 D313 G314 P316 R317 | S279-L281 VanDerWaalsContact C-N 3.32Å; S279-L281 PolarHBondContact O-N 2.95Å; S279-D313 PolarHBondContact OG-O 3.06Å; S279-G314 WeakPolarHBondContact CB-O 2.96Å; S279-P316 CarbonylContact O-C 3.57Å; S279-P316 WeakPolarHBondContact O-CA 3.47Å; S279-R317 PolarHBondContact O-N 3.02Å |
| 280 | G | 92.6 | Very high | 95.6 | Very high | 14 Ų | 14 | 35.8 Ų | 35.8 | 14% | 0.144 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -10.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | M261 P278 E282 | M261-G280 CarbonylContact O-C 3.54Å; P278-G280 PolarHBondContact O-N 3.24Å; G280-E282 PolarHBondContact O-N 3.21Å |
| 281 | L | 95.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | trans | -63.5 | 130.1 | -174.8 | -169 | 71.2 | 0 | 0 | 0 | 111.2 | M261 L264 I277 P278 S279 L284 R317 L318 | M261-L281 HydrophobicContact CG-CD1 3.69Å; M261-L281 HydrophobicContact SD-CD1 4.11Å; L264-L281 HydrophobicContact CB-CD1 3.88Å; L264-L281 HydrophobicContact CB-CD2 4.32Å; I277-L281 HydrophobicContact CB-CD2 3.82Å; I277-L281 HydrophobicContact CD1-CD2 4.05Å; I277-L281 HydrophobicContact CG2-CD2 3.7Å; P278-L281 HydrophobicContact CG-CB 4.15Å; P278-L281 WeakPolarHBondContact O-CB 3.46Å; P278-L281 PolarHBondContact O-N 2.76Å; S279-L281 VanDerWaalsContact C-N 3.32Å; S279-L281 PolarHBondContact O-N 2.95Å; L281-L284 HydrophobicContact CD2-CB 3.98Å; L281-L284 HydrophobicContact CD2-CD1 4.22Å; L281-L284 HydrophobicContact CD2-CD2 4.39Å; L281-L284 HydrophobicContact CD2-CG 4.43Å; L281-R317 CarbonylContact O-C 3.14Å; L281-L318 HydrophobicContact CD2-CD1 4.17Å; L281-L318 HydrophobicContact CG-CD1 4.23Å; L281-L318 WeakPolarHBondContact O-CA 3.33Å; L281-L318 PolarHBondContact O-N 3.25Å | ||
| 282 | E | 96.1 | Very high | 95.2 | Very high | 39 Ų | 39 | 34.1 Ų | 34.1 | 18% | 0.182 | 18% | 0.184 | C | C | . | . | trans | -102.6 | -36.4 | 179.7 | -64.2 | -161.5 | -168.6 | 0 | 0 | 112.8 | L262 G280 R319 Y320 | L262-E282 HydrophobicContact CD2-CG 4.5Å; L262-E282 PolarHBondContact O-N 2.99Å; G280-E282 PolarHBondContact O-N 3.21Å; E282-R319 PolarHBondContact O-N 3Å; E282-R319 IonicContact OE1-NH1 2.78Å; E282-R319 IonicContact OE2-CZ 3.42Å; E282-R319 IonicContact OE2-NE 3.39Å; E282-R319 IonicContact OE2-NH1 3.57Å; E282-R319 PolarHBondContact OE2-NH1 3.45Å; E282-Y320 PolarHBondContact O-N 3.47Å; E282-Y320 VanDerWaalsContact O-N 3.16Å | ||
| 283 | H | 98 | Very high | 94.8 | Very high | 59 Ų | 59 | 35.9 Ų | 35.9 | 27% | 0.273 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 126.3 | -177.1 | -49.6 | 93.4 | 0 | 0 | 0 | 111.4 | L262 D263 L264 Y285 | L262-H283 PolarHBondContact O-N 3.12Å; D263-H283 WeakPolarHBondContact OD2-CB 3.22Å; D263-H283 IonicContact OD2-CG 2.83Å; D263-H283 IonicContact OD2-ND1 3.74Å; L264-H283 PolarHBondContact N-O 3.09Å; H283-Y285 HydrophobicContact CB-CD2 4.47Å; H283-Y285 HydrophobicContact CB-CE2 3.75Å |
| 284 | L | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 120.2 | 176.8 | -178 | 56 | 0 | 0 | 0 | 110.7 | L264 V274 I277 L281 L286 L318 Y320 L321 R322 | L264-L284 HydrophobicContact CB-CD1 4.12Å; L264-L284 HydrophobicContact CD2-CD1 3.97Å; L264-L284 HydrophobicContact CG-CD1 4.05Å; L264-L284 WeakPolarHBondContact O-CA 3.41Å; V274-L284 HydrophobicContact CG1-CD2 4.48Å; I277-L284 HydrophobicContact CD1-CD2 4.3Å; I277-L284 HydrophobicContact CG2-CD2 4Å; L281-L284 HydrophobicContact CD2-CB 3.98Å; L281-L284 HydrophobicContact CD2-CD1 4.22Å; L281-L284 HydrophobicContact CD2-CD2 4.39Å; L281-L284 HydrophobicContact CD2-CG 4.43Å; L284-L286 HydrophobicContact CD1-CD1 4.06Å; L284-L286 HydrophobicContact CD1-CD2 4.41Å; L284-L286 HydrophobicContact CD1-CG 3.94Å; L284-L286 HydrophobicContact CD2-CD1 3.7Å; L284-L286 HydrophobicContact CD2-CG 4.44Å; L284-L286 HydrophobicContact CG-CD1 3.77Å; L284-L286 HydrophobicContact CG-CG 3.97Å; L284-L318 HydrophobicContact CB-CD1 3.77Å; L284-Y320 PolarHBondContact N-O 3.39Å; L284-L321 HydrophobicContact CB-CD1 4.14Å; L284-L321 HydrophobicContact CD2-CD1 3.85Å; L284-L321 HydrophobicContact CG-CD1 4.02Å; L284-L321 WeakPolarHBondContact O-CA 3.33Å; L284-R322 PolarHBondContact O-N 3.3Å |
| 285 | Y | 98.5 | Very high | 94 | Very high | 54 Ų | 54 | 34 Ų | 34 | 21% | 0.212 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 117.2 | 176.7 | -57 | -105.5 | 0 | 0 | 0 | 109.9 | L264 Q265 L266 S267 H283 Y320 R322 | L264-Y285 PolarHBondContact O-N 3.35Å; Q265-Y285 HydrophobicContact CB-CD2 4.4Å; Q265-Y285 HydrophobicContact CG-CD2 3.76Å; Q265-Y285 HydrophobicContact CG-CE2 4.3Å; Q265-Y285 HydrophobicContact CG-CG 4.4Å; L266-Y285 CarbonylContact C-O 3.18Å; L266-Y285 WeakPolarHBondContact CA-O 3.38Å; L266-Y285 PolarHBondContact N-O 3.25Å; S267-Y285 PolarHBondContact N-O 2.6Å; S267-Y285 WeakPolarHBondContact OG-CB 3.27Å; H283-Y285 HydrophobicContact CB-CD2 4.47Å; H283-Y285 HydrophobicContact CB-CE2 3.75Å; Y285-Y320 HydrophobicContact CD1-CD1 4.34Å; Y285-Y320 AromaticContact CD1-CE1 3.8Å; Y285-Y320 HydrophobicContact CD1-CE1 3.8Å; Y285-Y320 AromaticContact CE1-CD1 3.78Å; Y285-Y320 HydrophobicContact CE1-CD1 3.78Å; Y285-Y320 AromaticContact CE1-CE1 3.27Å; Y285-Y320 HydrophobicContact CE1-CE1 3.27Å; Y285-Y320 HydrophobicContact CE2-CD1 4.28Å; Y285-Y320 AromaticContact CZ-CD1 3.73Å; Y285-Y320 AromaticContact CZ-CE1 3.71Å; Y285-R322 HydrophobicContact CD1-CB 4.05Å |
| 286 | L | 98 | Very high | 93.2 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -132.1 | 12.5 | -178 | -70.6 | 167.6 | 0 | 0 | 0 | 111.5 | L266 L271 V274 L284 N289 I291 R322 L323 N326 | L266-L286 HydrophobicContact CB-CD2 3.83Å; L266-L286 HydrophobicContact CD1-CD2 4.04Å; L271-L286 HydrophobicContact CD1-CD2 3.69Å; V274-L286 HydrophobicContact CB-CD1 4.38Å; V274-L286 HydrophobicContact CG1-CD1 3.84Å; V274-L286 HydrophobicContact CG2-CD1 4.1Å; L284-L286 HydrophobicContact CD1-CD1 4.06Å; L284-L286 HydrophobicContact CD1-CD2 4.41Å; L284-L286 HydrophobicContact CD1-CG 3.94Å; L284-L286 HydrophobicContact CD2-CD1 3.7Å; L284-L286 HydrophobicContact CD2-CG 4.44Å; L284-L286 HydrophobicContact CG-CD1 3.77Å; L284-L286 HydrophobicContact CG-CG 3.97Å; L286-N289 PolarHBondContact O-ND2 2.6Å; L286-I291 HydrophobicContact CB-CD1 4.08Å; L286-I291 HydrophobicContact CD1-CD1 4.29Å; L286-I291 HydrophobicContact CD2-CD1 4.47Å; L286-R322 CarbonylContact C-O 3.38Å; L286-R322 WeakPolarHBondContact CA-O 3.46Å; L286-R322 WeakPolarHBondContact CB-O 3.4Å; L286-R322 PolarHBondContact N-O 2.86Å; L286-L323 HydrophobicContact CB-CD2 3.88Å; L286-L323 HydrophobicContact CD1-CD2 4.12Å; L286-N326 PolarHBondContact O-ND2 2.88Å | ||
| 287 | D | 98.1 | Very high | 92.4 | Very high | 7 Ų | 7 | 35.9 Ų | 35.9 | 4% | 0.037 | 20% | 0.199 | C | C | . | . | trans | -60.9 | 151.9 | 180 | 59.9 | -74.8 | 0 | 0 | 0 | 112.3 | S267 H268 N289 R322 D324 | S267-D287 CarbonylContact C-O 3.49Å; S267-D287 WeakPolarHBondContact CA-O 3.37Å; S267-D287 WeakPolarHBondContact CB-O 3.47Å; S267-D287 VanDerWaalsContact CB-OD1 3.28Å; S267-D287 WeakPolarHBondContact CB-OD1 3.28Å; S267-D287 PolarHBondContact OG-OD1 2.88Å; H268-D287 PolarHBondContact N-O 3.14Å; D287-N289 PolarHBondContact O-ND2 3.26Å; D287-R322 HydrophobicContact CB-CG 4Å; D287-R322 PolarHBondContact N-O 3.36Å; D287-R322 WeakPolarHBondContact OD1-CD 3.22Å; D287-R322 IonicContact OD1-NE 2.74Å; D287-D324 CarbonylContact C-O 3.49Å; D287-D324 WeakPolarHBondContact CA-O 3.38Å; D287-D324 WeakPolarHBondContact CB-O 3.3Å | ||
| 288 | H | 98.3 | Very high | 91.7 | Very high | 80 Ų | 80 | 39 Ų | 39 | 37% | 0.37 | 22% | 0.22 | S | C | . | . | S | Bend | trans | 56.4 | 50.4 | -179.1 | -56.8 | 87.9 | 0 | 0 | 0 | 113.2 | H268 D324 G325 | H268-H288 WeakPolarHBondContact CA-O 3.31Å; H268-H288 VanDerWaalsContact CE1-CB 3.45Å; H268-H288 WeakPolarHBondContact CE1-CB 3.36Å; H268-H288 AromaticContact CE1-CD2 3.69Å; H268-H288 AromaticContact CE1-CG 3.25Å; H268-H288 AromaticContact CE1-ND1 3.51Å; H268-H288 PolarHBondContact N-O 2.84Å; H268-H288 VanDerWaalsContact ND1-CB 3.31Å; H268-H288 WeakPolarHBondContact ND1-CB 3.25Å; H268-H288 AromaticContact ND1-CG 3.68Å; H268-H288 AromaticContact NE2-CG 3.72Å; H268-H288 AromaticContact NE2-ND1 3.52Å; H288-D324 PolarHBondContact N-O 2.03Å; H288-G325 WeakPolarHBondContact CA-O 3.22Å |
| 289 | N | 98.5 | Very high | 91.1 | Very high | 11 Ų | 11 | 39.1 Ų | 39.1 | 6% | 0.059 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -115.4 | -159.9 | 169.3 | -83.8 | -79.4 | 0 | 0 | 0 | 109.8 | L266 N269 Q270 L271 L286 D287 I291 N326 | L266-N289 PolarHBondContact O-ND2 3.21Å; N269-N289 VanDerWaalsContact CA-OD1 3.24Å; N269-N289 WeakPolarHBondContact CA-OD1 3.12Å; N269-N289 WeakPolarHBondContact CB-OD1 3.41Å; N269-N289 PolarHBondContact N-OD1 2.87Å; N269-N289 PolarHBondContact O-OD1 3.4Å; Q270-N289 PolarHBondContact N-OD1 2.83Å; L271-N289 HydrophobicContact CB-CB 4.17Å; L271-N289 WeakPolarHBondContact CB-OD1 3.28Å; L271-N289 WeakPolarHBondContact CG-OD1 3.25Å; L271-N289 PolarHBondContact N-OD1 2.84Å; L286-N289 PolarHBondContact O-ND2 2.6Å; D287-N289 PolarHBondContact O-ND2 3.26Å; N289-I291 HydrophobicContact CB-CD1 4.29Å; N289-I291 HydrophobicContact CB-CG1 4.19Å; N289-N326 VanDerWaalsContact CA-OD1 3.25Å; N289-N326 WeakPolarHBondContact CA-OD1 3.29Å; N289-N326 WeakPolarHBondContact CB-OD1 3.49Å; N289-N326 PolarHBondContact N-OD1 3.28Å; N289-N326 PolarHBondContact O-OD1 3.49Å |
| 290 | K | 97.8 | Very high | 90.7 | Very high | 97 Ų | 97 | 38.4 Ų | 38.4 | 42% | 0.422 | 22% | 0.216 | S | C | . | . | trans | -119.6 | 29.9 | 178.5 | -58.4 | -179.6 | -178.6 | 174.5 | 0 | 111.7 | L271 T272 A292 N326 | L271-K290 CarbonylContact O-C 3.37Å; L271-K290 VanDerWaalsContact O-CA 3.25Å; L271-K290 WeakPolarHBondContact O-CA 3.11Å; L271-K290 WeakPolarHBondContact O-CB 3.25Å; L271-K290 PolarHBondContact O-N 2.99Å; T272-K290 HydrophobicContact CG2-CB 4.24Å; K290-A292 PolarHBondContact O-N 3.04Å; K290-N326 PolarHBondContact N-OD1 2.84Å | ||
| 291 | I | 95.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -72.7 | 124.8 | -177.7 | -58.4 | 167.7 | 0 | 0 | 0 | 107.6 | L271 V274 L286 N289 N293 V294 L323 N326 E327 I328 | L271-I291 HydrophobicContact CB-CG1 4.43Å; L271-I291 PolarHBondContact O-N 3.22Å; V274-I291 HydrophobicContact CG2-CD1 4.11Å; V274-I291 HydrophobicContact CG2-CG2 4.2Å; L286-I291 HydrophobicContact CB-CD1 4.08Å; L286-I291 HydrophobicContact CD1-CD1 4.29Å; L286-I291 HydrophobicContact CD2-CD1 4.47Å; N289-I291 HydrophobicContact CB-CD1 4.29Å; N289-I291 HydrophobicContact CB-CG1 4.19Å; I291-N293 WeakPolarHBondContact CG2-O 3.47Å; I291-V294 HydrophobicContact CG2-CG2 4.29Å; I291-L323 HydrophobicContact CD1-CD2 4.22Å; I291-N326 HydrophobicContact CB-CB 4.26Å; I291-N326 VanDerWaalsContact CB-OD1 3.3Å; I291-N326 WeakPolarHBondContact CB-OD1 3.26Å; I291-N326 WeakPolarHBondContact CG1-OD1 3.2Å; I291-N326 PolarHBondContact N-OD1 3.46Å; I291-N326 WeakPolarHBondContact O-CB 3.39Å; I291-E327 CarbonylContact O-C 3.36Å; I291-E327 WeakPolarHBondContact O-CA 3.4Å; I291-E327 PolarHBondContact O-N 3.16Å; I291-I328 HydrophobicContact CB-CD1 4.21Å; I291-I328 HydrophobicContact CB-CG1 4.38Å; I291-I328 HydrophobicContact CG2-CD1 3.82Å; I291-I328 HydrophobicContact CG2-CG1 4.06Å; I291-I328 VanDerWaalsContact O-CG1 3.28Å; I291-I328 WeakPolarHBondContact O-CG1 3.04Å; I291-I328 PolarHBondContact O-N 3.33Å | ||
| 292 | A | 93.2 | Very high | 89.3 | Confident | 53 Ų | 53 | 41.3 Ų | 41.3 | 44% | 0.438 | 23% | 0.232 | S | C | . | . | trans | -98.9 | -25.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | K290 E327 | K290-A292 PolarHBondContact O-N 3.04Å; A292-E327 HydrophobicContact CB-CB 4.34Å | ||
| 293 | N | 88.6 | Confident | 87.9 | Confident | 116 Ų | 116 | 42.9 Ų | 42.9 | 62% | 0.62 | 25% | 0.247 | S | C | * | . | trans | -149.6 | 161.2 | 179.4 | 59.7 | 35.4 | 0 | 0 | 0 | 111.3 | I291 | I291-N293 WeakPolarHBondContact CG2-O 3.47Š| ||
| 294 | V | 87.4 | Confident | 86 | Confident | 11 Ų | 11 | 42.7 Ų | 42.7 | 7% | 0.067 | 25% | 0.25 | C | C | . | . | trans | -132 | 127.4 | 174.4 | -175.7 | 0 | 0 | 0 | 0 | 107.2 | V274 I291 V299 L323 I328 P333 V336 | V274-V294 HydrophobicContact CG2-CG1 4.12Å; V274-V294 HydrophobicContact CG2-CG2 3.85Å; I291-V294 HydrophobicContact CG2-CG2 4.29Å; V294-V299 HydrophobicContact CG1-CG2 4Å; V294-L323 HydrophobicContact CG2-CD1 4.13Å; V294-I328 HydrophobicContact CG2-CD1 3.64Å; V294-I328 HydrophobicContact CG2-CG1 4.48Å; V294-P333 VanDerWaalsContact O-CG 3.3Å; V294-P333 WeakPolarHBondContact O-CG 3.47Å; V294-V336 HydrophobicContact CG1-CG2 3.77Å | ||
| 295 | N | 82.3 | Confident | 84.1 | Confident | 79 Ų | 79 | 49.9 Ų | 49.9 | 42% | 0.422 | 29% | 0.288 | S | S | . | . | trans | -111.8 | 126.1 | 176.8 | -178.2 | -18.5 | 0 | 0 | 0 | 109 | S297 S298 V299 D335 | N295-S297 PolarHBondContact O-N 3.44Å; N295-S297 WeakPolarHBondContact OD1-CB 3.43Å; N295-S297 PolarHBondContact OD1-N 3.22Å; N295-S297 PolarHBondContact OD1-OG 3.22Å; N295-S298 PolarHBondContact O-N 2.99Å; N295-S298 VanDerWaalsContact O-N 3.16Å; N295-S298 PolarHBondContact O-OG 3.06Å; N295-V299 WeakPolarHBondContact O-CG2 3.49Å; N295-V299 PolarHBondContact O-N 3.4Å; N295-V299 VanDerWaalsContact O-N 3.16Å; N295-D335 PolarHBondContact OD1-OD2 3.08Å | ||
| 296 | G | 76.6 | Confident | 82.2 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.5 | -33.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S298 V299 C300 D335 | G296-S298 VanDerWaalsContact C-N 3.29Å; G296-S298 PolarHBondContact O-N 2.89Å; G296-V299 PolarHBondContact O-N 3.18Å; G296-C300 WeakPolarHBondContact O-CA 3.33Å; G296-C300 WeakPolarHBondContact O-CB 3.47Å; G296-C300 PolarHBondContact O-N 3.5Å; G296-D335 WeakPolarHBondContact CA-OD2 3.33Å; G296-D335 PolarHBondContact N-OD2 3.26Å |
| 297 | S | 74.6 | Confident | 80.3 | Confident | 97 Ų | 97 | 51.9 Ų | 51.9 | 68% | 0.678 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -69 | -23.9 | 179.4 | -56.5 | 0 | 0 | 0 | 0 | 113.7 | N295 | N295-S297 PolarHBondContact O-N 3.44Å; N295-S297 WeakPolarHBondContact OD1-CB 3.43Å; N295-S297 PolarHBondContact OD1-N 3.22Å; N295-S297 PolarHBondContact OD1-OG 3.22Å |
| 298 | S | 75.5 | Confident | 78.3 | Confident | 66 Ų | 66 | 58.3 Ų | 58.3 | 46% | 0.462 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -93.4 | -27.8 | 178.3 | 63.9 | 0 | 0 | 0 | 0 | 113.1 | N295 G296 | N295-S298 PolarHBondContact O-N 2.99Å; N295-S298 VanDerWaalsContact O-N 3.16Å; N295-S298 PolarHBondContact O-OG 3.06Å; G296-S298 VanDerWaalsContact C-N 3.29Å; G296-S298 PolarHBondContact O-N 2.89Å |
| 299 | V | 79.9 | Confident | 76.2 | Confident | 6 Ų | 6 | 62.1 Ų | 62.1 | 4% | 0.036 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -96.4 | -25.1 | -177.1 | -175.3 | 0 | 0 | 0 | 0 | 111.9 | V274 I277 V294 N295 G296 P301 F340 | V274-V299 HydrophobicContact CB-CG2 3.64Å; V274-V299 HydrophobicContact CG1-CB 4.32Å; V274-V299 HydrophobicContact CG1-CG1 3.72Å; V274-V299 HydrophobicContact CG1-CG2 3.54Å; V274-V299 HydrophobicContact CG2-CG2 4.37Å; I277-V299 HydrophobicContact CD1-CG1 4.26Å; I277-V299 HydrophobicContact CG1-CG1 4.3Å; V294-V299 HydrophobicContact CG1-CG2 4Å; N295-V299 WeakPolarHBondContact O-CG2 3.49Å; N295-V299 PolarHBondContact O-N 3.4Å; N295-V299 VanDerWaalsContact O-N 3.16Å; G296-V299 PolarHBondContact O-N 3.18Å; V299-P301 WeakPolarHBondContact O-CD 3.37Å; V299-F340 HydrophobicContact CG1-CE2 3.91Å; V299-F340 HydrophobicContact CG1-CZ 3.9Å |
| 300 | C | 83.1 | Confident | 73.9 | Confident | 16 Ų | 16 | 65.6 Ų | 65.6 | 11% | 0.108 | 39% | 0.391 | C | S | . | . | trans | -69.1 | 122.2 | 179.6 | -159.8 | 0 | 0 | 0 | 0 | 110.7 | G296 V302 C339 | G296-C300 WeakPolarHBondContact O-CA 3.33Å; G296-C300 WeakPolarHBondContact O-CB 3.47Å; G296-C300 PolarHBondContact O-N 3.5Å; C300-V302 PolarHBondContact O-N 2.76Å; C300-V302 PolarHBondContact SG-O 3.39Å; C300-C339 WeakPolarHBondContact CA-SG 3.45Å; C300-C339 HydrophobicContact CB-CB 3.73Å; C300-C339 WeakPolarHBondContact CB-SG 3.38Å; C300-C339 WeakPolarHBondContact SG-CB 3.37Å; C300-C339 CovalentContact SG-SG 2.03Å; C300-C339 PolarHBondContact SG-SG 2.96Å | ||
| 301 | P | 81.4 | Confident | 71.7 | Confident | 42 Ų | 42 | 68.1 Ų | 68.1 | 27% | 0.273 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -75.6 | -8.1 | -178 | 27.4 | -31.2 | 0 | 0 | 0 | 113.5 | I277 V299 P316 | I277-P301 WeakPolarHBondContact O-CB 3.3Å; V299-P301 WeakPolarHBondContact O-CD 3.37Å; P301-P316 HydrophobicContact CG-CB 4.09Å; P301-P316 HydrophobicContact CG-CG 3.88Å |
| 302 | V | 76.3 | Confident | 69.8 | Low | 34 Ų | 34 | 74 Ų | 74 | 21% | 0.206 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -130 | 152.7 | 177.8 | -67.7 | 0 | 0 | 0 | 0 | 110.3 | C300 V304 L307 G314 P316 | C300-V302 PolarHBondContact O-N 2.76Å; C300-V302 PolarHBondContact SG-O 3.39Å; V302-V304 PolarHBondContact O-N 3.24Å; V302-L307 HydrophobicContact CG2-CD2 3.79Å; V302-L307 HydrophobicContact CG2-CG 4.43Å; V302-G314 WeakPolarHBondContact CG1-O 3.34Å; V302-P316 HydrophobicContact CG2-CG 3.73Å |
| 303 | S | 66.5 | Low | 68 | Low | 72 Ų | 72 | 77.8 Ų | 77.8 | 50% | 0.503 | 46% | 0.459 | S | S | . | . | trans | -62.8 | 129.8 | 171.4 | -175.9 | 0 | 0 | 0 | 0 | 109.2 | D305 S306 | S303-D305 PolarHBondContact O-N 3.13Å; S303-D305 VanDerWaalsContact O-N 3.09Å; S303-S306 PolarHBondContact O-N 2.71Å; S303-S306 PolarHBondContact O-OG 3.12Å | ||
| 304 | V | 58.3 | Low | 67 | Low | 55 Ų | 55 | 73.6 Ų | 73.6 | 33% | 0.333 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -57.6 | -26.9 | -179.2 | -175.9 | 0 | 0 | 0 | 0 | 111.6 | V302 S306 L307 | V302-V304 PolarHBondContact O-N 3.24Å; V304-S306 VanDerWaalsContact C-N 3.27Å; V304-S306 PolarHBondContact O-N 3.36Å; V304-L307 HydrophobicContact CG1-CD1 4.15Å |
| 305 | D | 56.9 | Low | 66.6 | Low | 151 Ų | 151 | 76.1 Ų | 76.1 | 81% | 0.807 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -75.5 | -11.4 | 178 | -58 | -35.7 | 0 | 0 | 0 | 113.9 | S303 | S303-D305 PolarHBondContact O-N 3.13Å; S303-D305 VanDerWaalsContact O-N 3.09Å |
| 306 | S | 59 | Low | 67 | Low | 75 Ų | 75 | 72.4 Ų | 72.4 | 52% | 0.524 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -101.5 | 7.1 | -178.1 | 64.3 | 0 | 0 | 0 | 0 | 114 | S303 V304 D308 | S303-S306 PolarHBondContact O-N 2.71Å; S303-S306 PolarHBondContact O-OG 3.12Å; V304-S306 VanDerWaalsContact C-N 3.27Å; V304-S306 PolarHBondContact O-N 3.36Å; S306-D308 PolarHBondContact O-N 3.48Å |
| 307 | L | 59.2 | Low | 67.7 | Low | 22 Ų | 22 | 77.7 Ų | 77.7 | 12% | 0.115 | 46% | 0.459 | C | S | . | . | trans | -79.1 | 45.6 | -178.2 | -68.7 | 169.2 | 0 | 0 | 0 | 113.2 | V302 V304 | V302-L307 HydrophobicContact CG2-CD2 3.79Å; V302-L307 HydrophobicContact CG2-CG 4.43Å; V304-L307 HydrophobicContact CG1-CD1 4.15Å | ||
| 308 | D | 56.3 | Low | 68.6 | Low | 141 Ų | 141 | 73.1 Ų | 73.1 | 75% | 0.754 | 43% | 0.427 | S | S | * | . | trans | -80 | 137.9 | 170.7 | -88.3 | -15.9 | 0 | 0 | 0 | 111.1 | S306 S310 | S306-D308 PolarHBondContact O-N 3.48Å; D308-S310 VanDerWaalsContact C-N 3.28Å; D308-S310 PolarHBondContact O-N 3.05Å | ||
| 309 | D | 52.9 | Low | 69.5 | Low | 161 Ų | 161 | 74.4 Ų | 74.4 | 86% | 0.861 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -80.8 | 32.1 | -149.9 | -137.6 | 5.6 | 0 | 0 | 0 | 115.7 | ||
| 310 | S | 50.4 | Low | 70.3 | Confident | 83 Ų | 83 | 76.7 Ų | 76.7 | 58% | 0.58 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -119.3 | 96.9 | -177.6 | 65.3 | 0 | 0 | 0 | 0 | 113 | D308 N312 | D308-S310 VanDerWaalsContact C-N 3.28Å; D308-S310 PolarHBondContact O-N 3.05Å; S310-N312 PolarHBondContact O-N 3.18Å |
| 311 | T | 52.3 | Low | 70.9 | Confident | 151 Ų | 151 | 76.2 Ų | 76.2 | 93% | 0.926 | 43% | 0.426 | S | S | * | . | trans | 50.1 | 37 | 148.2 | 59.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 312 | N | 55.3 | Low | 71.5 | Confident | 122 Ų | 122 | 77.9 Ų | 77.9 | 65% | 0.652 | 43% | 0.427 | S | S | * | . | trans | -104.2 | 136.1 | -176 | -130.5 | -1.6 | 0 | 0 | 0 | 112.4 | S310 G314 V315 | S310-N312 PolarHBondContact O-N 3.18Å; N312-G314 PolarHBondContact O-N 3.42Å; N312-V315 PolarHBondContact O-N 3.13Å | ||
| 313 | D | 56.3 | Low | 72.4 | Confident | 134 Ų | 134 | 76.3 Ų | 76.3 | 72% | 0.717 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -5.5 | 171.1 | -83.8 | -29.1 | 0 | 0 | 0 | 113.4 | S279 R317 | S279-D313 PolarHBondContact OG-O 3.06Å; D313-R317 IonicContact OD1-NH2 2.86Å |
| 314 | G | 65.8 | Low | 73.8 | Confident | 28 Ų | 28 | 74.2 Ų | 74.2 | 29% | 0.289 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -14.7 | 175 | 0 | 0 | 0 | 0 | 0 | 115.6 | S279 V302 N312 P316 | S279-G314 WeakPolarHBondContact CB-O 2.96Å; V302-G314 WeakPolarHBondContact CG1-O 3.34Å; N312-G314 PolarHBondContact O-N 3.42Å; G314-P316 WeakPolarHBondContact O-CD 3.43Å |
| 315 | V | 80.6 | Confident | 75.6 | Confident | 64 Ų | 64 | 73.8 Ų | 73.8 | 39% | 0.388 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -66.6 | 126.7 | -176.9 | -179.8 | 0 | 0 | 0 | 0 | 110.5 | N312 R317 | N312-V315 PolarHBondContact O-N 3.13Å; V315-R317 WeakPolarHBondContact O-CG 3.15Å; V315-R317 PolarHBondContact O-N 3.46Å |
| 316 | P | 89.4 | Confident | 77.5 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.006 | 38% | 0.375 | C | S | . | . | trans | -57.7 | 124.9 | 177.1 | -21.9 | 30.8 | 0 | 0 | 0 | 112.3 | S279 P301 V302 G314 F340 | S279-P316 CarbonylContact O-C 3.57Å; S279-P316 WeakPolarHBondContact O-CA 3.47Å; P301-P316 HydrophobicContact CG-CB 4.09Å; P301-P316 HydrophobicContact CG-CG 3.88Å; V302-P316 HydrophobicContact CG2-CG 3.73Å; G314-P316 WeakPolarHBondContact O-CD 3.43Å; P316-F340 HydrophobicContact CB-CD1 3.48Å; P316-F340 VanDerWaalsContact CB-CD1 3.48Å; P316-F340 HydrophobicContact CB-CE1 3.68Å | ||
| 317 | R | 92.6 | Very high | 79.2 | Confident | 110 Ų | 110 | 70.2 Ų | 70.2 | 42% | 0.415 | 38% | 0.378 | S | S | . | . | trans | -99.9 | 8.5 | -173.8 | -62.5 | -164.4 | 178 | -170.7 | 4.6 | 115.1 | S279 L281 D313 V315 R319 | S279-R317 PolarHBondContact O-N 3.02Å; L281-R317 CarbonylContact O-C 3.14Å; D313-R317 IonicContact OD1-NH2 2.86Å; V315-R317 WeakPolarHBondContact O-CG 3.15Å; V315-R317 PolarHBondContact O-N 3.46Å; R317-R319 WeakPolarHBondContact O-CG 3.25Å; R317-R319 PolarHBondContact O-N 2.9Å | ||
| 318 | L | 93.8 | Very high | 80.7 | Confident | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.005 | 38% | 0.378 | C | S | . | . | trans | -60.6 | 122.4 | -175.7 | -165 | 68.4 | 0 | 0 | 0 | 111 | I277 L281 L284 L321 F340 L342 L343 | I277-L318 HydrophobicContact CD1-CD2 4.3Å; L281-L318 HydrophobicContact CD2-CD1 4.17Å; L281-L318 HydrophobicContact CG-CD1 4.23Å; L281-L318 WeakPolarHBondContact O-CA 3.33Å; L281-L318 PolarHBondContact O-N 3.25Å; L284-L318 HydrophobicContact CB-CD1 3.77Å; L318-L321 HydrophobicContact CD2-CB 4.14Å; L318-F340 HydrophobicContact CB-CB 4.36Å; L318-F340 HydrophobicContact CB-CD1 3.46Å; L318-F340 VanDerWaalsContact CB-CD1 3.46Å; L318-F340 HydrophobicContact CB-CE1 3.98Å; L318-F340 HydrophobicContact CB-CG 4.06Å; L318-F340 HydrophobicContact CD2-CD1 3.99Å; L318-F340 HydrophobicContact CD2-CD2 4.25Å; L318-F340 HydrophobicContact CD2-CE1 4.12Å; L318-F340 HydrophobicContact CD2-CE2 4.38Å; L318-F340 HydrophobicContact CD2-CG 4.07Å; L318-F340 HydrophobicContact CD2-CZ 4.34Å; L318-F340 HydrophobicContact CG-CD1 4.38Å; L318-L342 CarbonylContact O-C 3.33Å; L318-L343 HydrophobicContact CB-CD2 4.44Å; L318-L343 HydrophobicContact CD2-CD2 4.1Å; L318-L343 HydrophobicContact CG-CD2 3.97Å; L318-L343 WeakPolarHBondContact O-CA 3.38Å; L318-L343 PolarHBondContact O-N 2.79Å | ||
| 319 | R | 94.4 | Very high | 82 | Confident | 93 Ų | 93 | 68.1 Ų | 68.1 | 35% | 0.351 | 38% | 0.375 | S | S | . | . | trans | -107.3 | -30.1 | -179.8 | -67.7 | 179.4 | 175.3 | 164.3 | -4.3 | 112.4 | E282 R317 R344 S345 | E282-R319 PolarHBondContact O-N 3Å; E282-R319 IonicContact OE1-NH1 2.78Å; E282-R319 IonicContact OE2-CZ 3.42Å; E282-R319 IonicContact OE2-NE 3.39Å; E282-R319 IonicContact OE2-NH1 3.57Å; E282-R319 PolarHBondContact OE2-NH1 3.45Å; R317-R319 WeakPolarHBondContact O-CG 3.25Å; R317-R319 PolarHBondContact O-N 2.9Å; R319-R344 PolarHBondContact O-N 2.96Å; R319-S345 PolarHBondContact O-N 3.09Å | ||
| 320 | Y | 96.1 | Very high | 83.4 | Confident | 55 Ų | 55 | 65.1 Ų | 65.1 | 22% | 0.216 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 122.4 | -176.1 | -170.4 | -97.7 | 0 | 0 | 0 | 110.5 | E282 L284 Y285 R322 V347 | E282-Y320 PolarHBondContact O-N 3.47Å; E282-Y320 VanDerWaalsContact O-N 3.16Å; L284-Y320 PolarHBondContact N-O 3.39Å; Y285-Y320 HydrophobicContact CD1-CD1 4.34Å; Y285-Y320 AromaticContact CD1-CE1 3.8Å; Y285-Y320 HydrophobicContact CD1-CE1 3.8Å; Y285-Y320 AromaticContact CE1-CD1 3.78Å; Y285-Y320 HydrophobicContact CE1-CD1 3.78Å; Y285-Y320 AromaticContact CE1-CE1 3.27Å; Y285-Y320 HydrophobicContact CE1-CE1 3.27Å; Y285-Y320 HydrophobicContact CE2-CD1 4.28Å; Y285-Y320 AromaticContact CZ-CD1 3.73Å; Y285-Y320 AromaticContact CZ-CE1 3.71Å; Y320-R322 HydrophobicContact CD1-CB 4.44Å; Y320-R322 HydrophobicContact CE1-CB 3.69Å; Y320-R322 HydrophobicContact CE1-CG 4.29Å; Y320-V347 HydrophobicContact CE2-CG2 4.44Å |
| 321 | L | 94.4 | Very high | 85.1 | Confident | 6 Ų | 6 | 66.6 Ų | 66.6 | 3% | 0.031 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 120.4 | 175.6 | 176.6 | 57.4 | 0 | 0 | 0 | 109.6 | L284 L318 L323 L343 S345 I346 V347 | L284-L321 HydrophobicContact CB-CD1 4.14Å; L284-L321 HydrophobicContact CD2-CD1 3.85Å; L284-L321 HydrophobicContact CG-CD1 4.02Å; L284-L321 WeakPolarHBondContact O-CA 3.33Å; L318-L321 HydrophobicContact CD2-CB 4.14Å; L321-L323 HydrophobicContact CD1-CD1 4.23Å; L321-L323 HydrophobicContact CD1-CD2 4.46Å; L321-L323 HydrophobicContact CD1-CG 4.05Å; L321-L323 HydrophobicContact CD2-CD1 3.84Å; L321-L323 HydrophobicContact CG-CD1 3.9Å; L321-L323 HydrophobicContact CG-CG 4.06Å; L321-L343 HydrophobicContact CB-CD2 3.91Å; L321-S345 PolarHBondContact N-O 3.4Å; L321-I346 HydrophobicContact CD2-CG2 4.47Å; L321-I346 HydrophobicContact CG-CG2 4.46Å; L321-I346 WeakPolarHBondContact O-CA 3.46Å; L321-V347 PolarHBondContact O-N 3.34Å; L321-V347 VanDerWaalsContact O-N 3.14Å |
| 322 | R | 95.8 | Very high | 86.6 | Confident | 76 Ų | 76 | 60.6 Ų | 60.6 | 29% | 0.287 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 120.6 | -180 | -160.6 | -178.4 | 176.4 | 175.5 | -2.4 | 111.3 | L284 Y285 L286 D287 Y320 D324 V347 | L284-R322 PolarHBondContact O-N 3.3Å; Y285-R322 HydrophobicContact CD1-CB 4.05Å; L286-R322 CarbonylContact C-O 3.38Å; L286-R322 WeakPolarHBondContact CA-O 3.46Å; L286-R322 WeakPolarHBondContact CB-O 3.4Å; L286-R322 PolarHBondContact N-O 2.86Å; D287-R322 HydrophobicContact CB-CG 4Å; D287-R322 PolarHBondContact N-O 3.36Å; D287-R322 WeakPolarHBondContact OD1-CD 3.22Å; D287-R322 IonicContact OD1-NE 2.74Å; Y320-R322 HydrophobicContact CD1-CB 4.44Å; Y320-R322 HydrophobicContact CE1-CB 3.69Å; Y320-R322 HydrophobicContact CE1-CG 4.29Å; R322-D324 WeakPolarHBondContact CD-OD1 3.26Å; R322-D324 WeakPolarHBondContact CG-OD1 3.3Å; R322-D324 IonicContact CZ-OD1 3.73Å; R322-D324 IonicContact CZ-OD2 3.38Å; R322-D324 IonicContact NE-OD1 3.53Å; R322-D324 PolarHBondContact NE-OD1 2.8Å; R322-D324 IonicContact NE-OD2 3.66Å; R322-D324 PolarHBondContact NE-OD2 3.35Å; R322-D324 IonicContact NH2-OD1 3.73Å; R322-D324 IonicContact NH2-OD2 3.22Å; R322-D324 PolarHBondContact NH2-OD2 2.94Å; R322-V347 HydrophobicContact CG-CB 4.15Å |
| 323 | L | 95.1 | Very high | 88.1 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | trans | -133.9 | 2.2 | -172.6 | -73.3 | 169.6 | 0 | 0 | 0 | 113.2 | L286 I291 V294 L321 N326 I328 I332 V347 I348 | L286-L323 HydrophobicContact CB-CD2 3.88Å; L286-L323 HydrophobicContact CD1-CD2 4.12Å; I291-L323 HydrophobicContact CD1-CD2 4.22Å; V294-L323 HydrophobicContact CG2-CD1 4.13Å; L321-L323 HydrophobicContact CD1-CD1 4.23Å; L321-L323 HydrophobicContact CD1-CD2 4.46Å; L321-L323 HydrophobicContact CD1-CG 4.05Å; L321-L323 HydrophobicContact CD2-CD1 3.84Å; L321-L323 HydrophobicContact CG-CD1 3.9Å; L321-L323 HydrophobicContact CG-CG 4.06Å; L323-N326 WeakPolarHBondContact O-CB 3.23Å; L323-N326 PolarHBondContact O-N 3.44Å; L323-N326 PolarHBondContact O-ND2 3.13Å; L323-I328 HydrophobicContact CB-CD1 4.09Å; L323-I328 HydrophobicContact CD1-CD1 4.04Å; L323-I328 HydrophobicContact CD2-CD1 3.89Å; L323-I328 HydrophobicContact CG-CD1 4.24Å; L323-I332 HydrophobicContact CD1-CD1 4.14Å; L323-V347 CarbonylContact C-O 3.46Å; L323-V347 WeakPolarHBondContact CA-O 3.07Å; L323-V347 PolarHBondContact N-O 2.66Å; L323-I348 HydrophobicContact CB-CG1 4.27Å | ||
| 324 | D | 95.1 | Very high | 89.5 | Confident | 29 Ų | 29 | 60.2 Ų | 60.2 | 16% | 0.155 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 149.9 | 179.4 | 52.3 | -57.5 | 0 | 0 | 0 | 113 | D287 H288 R322 N326 V347 I348 | D287-D324 CarbonylContact C-O 3.49Å; D287-D324 WeakPolarHBondContact CA-O 3.38Å; D287-D324 WeakPolarHBondContact CB-O 3.3Å; H288-D324 PolarHBondContact N-O 2.03Å; R322-D324 WeakPolarHBondContact CD-OD1 3.26Å; R322-D324 WeakPolarHBondContact CG-OD1 3.3Å; R322-D324 IonicContact CZ-OD1 3.73Å; R322-D324 IonicContact CZ-OD2 3.38Å; R322-D324 IonicContact NE-OD1 3.53Å; R322-D324 PolarHBondContact NE-OD1 2.8Å; R322-D324 IonicContact NE-OD2 3.66Å; R322-D324 PolarHBondContact NE-OD2 3.35Å; R322-D324 IonicContact NH2-OD1 3.73Å; R322-D324 IonicContact NH2-OD2 3.22Å; R322-D324 PolarHBondContact NH2-OD2 2.94Å; D324-N326 VanDerWaalsContact C-N 3.26Å; D324-N326 PolarHBondContact O-N 3.29Å; D324-V347 HydrophobicContact CB-CG1 4.08Å; D324-V347 PolarHBondContact N-O 2.92Å; D324-I348 VanDerWaalsContact CA-OXT 3.29Å; D324-I348 WeakPolarHBondContact CA-OXT 3.44Å |
| 325 | G | 95.8 | Very high | 90.4 | Very high | 45 Ų | 45 | 60.9 Ų | 60.9 | 46% | 0.464 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 17.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | H288 | H288-G325 WeakPolarHBondContact CA-O 3.22Š|
| 326 | N | 96.8 | Very high | 90.7 | Very high | 26 Ų | 26 | 57.9 Ų | 57.9 | 14% | 0.139 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -94.3 | -176.9 | 166.2 | -80.1 | -81.3 | 0 | 0 | 0 | 111.6 | L286 N289 K290 I291 L323 D324 I328 | L286-N326 PolarHBondContact O-ND2 2.88Å; N289-N326 VanDerWaalsContact CA-OD1 3.25Å; N289-N326 WeakPolarHBondContact CA-OD1 3.29Å; N289-N326 WeakPolarHBondContact CB-OD1 3.49Å; N289-N326 PolarHBondContact N-OD1 3.28Å; N289-N326 PolarHBondContact O-OD1 3.49Å; K290-N326 PolarHBondContact N-OD1 2.84Å; I291-N326 HydrophobicContact CB-CB 4.26Å; I291-N326 VanDerWaalsContact CB-OD1 3.3Å; I291-N326 WeakPolarHBondContact CB-OD1 3.26Å; I291-N326 WeakPolarHBondContact CG1-OD1 3.2Å; I291-N326 PolarHBondContact N-OD1 3.46Å; I291-N326 WeakPolarHBondContact O-CB 3.39Å; L323-N326 WeakPolarHBondContact O-CB 3.23Å; L323-N326 PolarHBondContact O-N 3.44Å; L323-N326 PolarHBondContact O-ND2 3.13Å; D324-N326 VanDerWaalsContact C-N 3.26Å; D324-N326 PolarHBondContact O-N 3.29Å; N326-I328 VanDerWaalsContact C-N 3.25Å; N326-I328 HydrophobicContact CB-CD1 4.11Å; N326-I328 HydrophobicContact CB-CG1 4.04Å; N326-I328 PolarHBondContact O-N 3.16Å |
| 327 | E | 95.1 | Very high | 90.5 | Very high | 126 Ų | 126 | 61.5 Ų | 61.5 | 59% | 0.589 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -91.1 | 17.4 | 175.2 | -60.5 | 176.8 | -157.3 | 0 | 0 | 112.1 | I291 A292 | I291-E327 CarbonylContact O-C 3.36Å; I291-E327 WeakPolarHBondContact O-CA 3.4Å; I291-E327 PolarHBondContact O-N 3.16Å; A292-E327 HydrophobicContact CB-CB 4.34Å |
| 328 | I | 90.4 | Very high | 90.2 | Very high | 20 Ų | 20 | 59.8 Ų | 59.8 | 10% | 0.103 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 127.1 | -179 | -59.5 | 169.5 | 0 | 0 | 0 | 109.3 | I291 V294 L323 N326 I348 | I291-I328 HydrophobicContact CB-CD1 4.21Å; I291-I328 HydrophobicContact CB-CG1 4.38Å; I291-I328 HydrophobicContact CG2-CD1 3.82Å; I291-I328 HydrophobicContact CG2-CG1 4.06Å; I291-I328 VanDerWaalsContact O-CG1 3.28Å; I291-I328 WeakPolarHBondContact O-CG1 3.04Å; I291-I328 PolarHBondContact O-N 3.33Å; V294-I328 HydrophobicContact CG2-CD1 3.64Å; V294-I328 HydrophobicContact CG2-CG1 4.48Å; L323-I328 HydrophobicContact CB-CD1 4.09Å; L323-I328 HydrophobicContact CD1-CD1 4.04Å; L323-I328 HydrophobicContact CD2-CD1 3.89Å; L323-I328 HydrophobicContact CG-CD1 4.24Å; N326-I328 VanDerWaalsContact C-N 3.25Å; N326-I328 HydrophobicContact CB-CD1 4.11Å; N326-I328 HydrophobicContact CB-CG1 4.04Å; N326-I328 PolarHBondContact O-N 3.16Å; I328-I348 HydrophobicContact CG2-CG2 4.38Å |
| 329 | S | 84.3 | Confident | 89.8 | Confident | 99 Ų | 99 | 59.9 Ų | 59.9 | 69% | 0.692 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -93.9 | 128.6 | 168.8 | -64.4 | 0 | 0 | 0 | 0 | 110.5 | ||
| 330 | P | 82.9 | Confident | 89.6 | Confident | 97 Ų | 97 | 55.6 Ų | 55.6 | 63% | 0.63 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -57.3 | 154 | 169.8 | -24.4 | 33.9 | 0 | 0 | 0 | 112.2 | I348 | P330-I348 HydrophobicContact CG-CG2 4.24Š|
| 331 | P | 85.5 | Confident | 89.2 | Confident | 115 Ų | 115 | 60 Ų | 60 | 75% | 0.747 | 32% | 0.32 | S | S | * | . | S | Bend | cis | -85.7 | 160.2 | 3.5 | 34.5 | -35.5 | 0 | 0 | 0 | 113.8 | ||
| 332 | I | 83.8 | Confident | 88.9 | Confident | 25 Ų | 25 | 63.8 Ų | 63.8 | 13% | 0.128 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 135.6 | 168.5 | -67.5 | -66.7 | 0 | 0 | 0 | 109.8 | L323 R334 V336 V337 I346 I348 | L323-I332 HydrophobicContact CD1-CD1 4.14Å; I332-R334 PolarHBondContact O-N 2.96Å; I332-V336 HydrophobicContact CG2-CB 3.74Å; I332-V336 HydrophobicContact CG2-CG1 3.91Å; I332-V336 HydrophobicContact CG2-CG2 4.26Å; I332-V337 HydrophobicContact CG2-CG2 4.16Å; I332-I346 HydrophobicContact CG1-CG2 4.36Å; I332-I348 HydrophobicContact CD1-CD1 3.43Å; I332-I348 VanDerWaalsContact CD1-CD1 3.43Å; I332-I348 HydrophobicContact CD1-CG1 3.94Å; I332-I348 HydrophobicContact CG1-CD1 3.16Å; I332-I348 HydrophobicContact CG1-CG1 4.19Å |
| 333 | P | 86.5 | Confident | 88.5 | Confident | 50 Ų | 50 | 61.9 Ų | 61.9 | 33% | 0.325 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 135.8 | 175.6 | -34.3 | 44.6 | 0 | 0 | 0 | 113.2 | V294 D335 V336 | V294-P333 VanDerWaalsContact O-CG 3.3Å; V294-P333 WeakPolarHBondContact O-CG 3.47Å; P333-D335 WeakPolarHBondContact CB-OD1 3.34Å; P333-D335 PolarHBondContact O-N 3.22Å; P333-V336 HydrophobicContact CB-CG2 4.29Å; P333-V336 WeakPolarHBondContact O-CB 2.93Å; P333-V336 PolarHBondContact O-N 3.18Å |
| 334 | R | 85.9 | Confident | 88.3 | Confident | 197 Ų | 197 | 71.4 Ų | 71.4 | 74% | 0.743 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -59.8 | -33 | -173.3 | -175.2 | -178.1 | 178.9 | -157.6 | -0.5 | 112.5 | I332 V336 V337 L338 | I332-R334 PolarHBondContact O-N 2.96Å; R334-V336 VanDerWaalsContact C-N 3.34Å; R334-V337 PolarHBondContact O-N 3.44Å; R334-L338 HydrophobicContact CG-CD1 4.05Å; R334-L338 HydrophobicContact CG-CG 4.29Å; R334-L338 WeakPolarHBondContact O-CB 3.38Å; R334-L338 VanDerWaalsContact O-CG 3.29Å; R334-L338 WeakPolarHBondContact O-CG 3.48Å; R334-L338 PolarHBondContact O-N 2.95Å |
| 335 | D | 85.3 | Confident | 87.9 | Confident | 43 Ų | 43 | 72.4 Ų | 72.4 | 23% | 0.23 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.9 | -35.4 | 176.6 | 59.2 | -21 | 0 | 0 | 0 | 112.8 | N295 G296 P333 L338 C339 | N295-D335 PolarHBondContact OD1-OD2 3.08Å; G296-D335 WeakPolarHBondContact CA-OD2 3.33Å; G296-D335 PolarHBondContact N-OD2 3.26Å; P333-D335 WeakPolarHBondContact CB-OD1 3.34Å; P333-D335 PolarHBondContact O-N 3.22Å; D335-L338 PolarHBondContact O-N 2.96Å; D335-C339 WeakPolarHBondContact O-CB 3.44Å; D335-C339 PolarHBondContact O-N 3.13Å |
| 336 | V | 85.7 | Confident | 87.5 | Confident | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.006 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62 | -47 | 171.8 | 178.9 | 0 | 0 | 0 | 0 | 110.4 | V294 I332 P333 R334 L338 C339 F340 | V294-V336 HydrophobicContact CG1-CG2 3.77Å; I332-V336 HydrophobicContact CG2-CB 3.74Å; I332-V336 HydrophobicContact CG2-CG1 3.91Å; I332-V336 HydrophobicContact CG2-CG2 4.26Å; P333-V336 HydrophobicContact CB-CG2 4.29Å; P333-V336 WeakPolarHBondContact O-CB 2.93Å; P333-V336 PolarHBondContact O-N 3.18Å; R334-V336 VanDerWaalsContact C-N 3.34Å; V336-L338 VanDerWaalsContact C-N 3.33Å; V336-L338 PolarHBondContact O-N 2.9Å; V336-C339 PolarHBondContact O-N 3.18Å; V336-F340 HydrophobicContact CG1-CD2 4.08Å; V336-F340 HydrophobicContact CG1-CE2 4.36Å; V336-F340 WeakPolarHBondContact O-CD2 3.26Å; V336-F340 PolarHBondContact O-N 3.25Å; V336-F340 VanDerWaalsContact O-N 3.13Å |
| 337 | V | 85.7 | Confident | 87 | Confident | 76 Ų | 76 | 73.9 Ų | 73.9 | 46% | 0.461 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.7 | -38.7 | 178.8 | -178.1 | 0 | 0 | 0 | 0 | 111.4 | I332 R334 | I332-V337 HydrophobicContact CG2-CG2 4.16Å; R334-V337 PolarHBondContact O-N 3.44Å |
| 338 | L | 85.3 | Confident | 86.4 | Confident | 74 Ų | 74 | 72 Ų | 72 | 39% | 0.387 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -69.7 | -34.3 | 178.2 | -73.8 | 172.2 | 0 | 0 | 0 | 113 | R334 D335 V336 R341 | R334-L338 HydrophobicContact CG-CD1 4.05Å; R334-L338 HydrophobicContact CG-CG 4.29Å; R334-L338 WeakPolarHBondContact O-CB 3.38Å; R334-L338 VanDerWaalsContact O-CG 3.29Å; R334-L338 WeakPolarHBondContact O-CG 3.48Å; R334-L338 PolarHBondContact O-N 2.95Å; D335-L338 PolarHBondContact O-N 2.96Å; V336-L338 VanDerWaalsContact C-N 3.33Å; V336-L338 PolarHBondContact O-N 2.9Å; L338-R341 VanDerWaalsContact O-CG 3.26Å; L338-R341 WeakPolarHBondContact O-CG 2.99Å; L338-R341 PolarHBondContact O-NE 2.95Å |
| 339 | C | 87.2 | Confident | 86.2 | Confident | 3 Ų | 3 | 74.6 Ų | 74.6 | 2% | 0.02 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -67.4 | -50.5 | 175.7 | 176.6 | 0 | 0 | 0 | 0 | 111.4 | C300 D335 V336 R341 | C300-C339 WeakPolarHBondContact CA-SG 3.45Å; C300-C339 HydrophobicContact CB-CB 3.73Å; C300-C339 WeakPolarHBondContact CB-SG 3.38Å; C300-C339 WeakPolarHBondContact SG-CB 3.37Å; C300-C339 CovalentContact SG-SG 2.03Å; C300-C339 PolarHBondContact SG-SG 2.96Å; D335-C339 WeakPolarHBondContact O-CB 3.44Å; D335-C339 PolarHBondContact O-N 3.13Å; V336-C339 PolarHBondContact O-N 3.18Å; C339-R341 PolarHBondContact O-N 3.28Å |
| 340 | F | 88.8 | Confident | 86.3 | Confident | 4 Ų | 4 | 73.3 Ų | 73.3 | 2% | 0.018 | 37% | 0.368 | C | S | . | . | trans | -99.3 | 66.6 | -174.2 | -56.7 | -71.6 | 0 | 0 | 0 | 111.9 | I277 V299 P316 L318 V336 L342 L343 | I277-F340 HydrophobicContact CD1-CE1 3.85Å; I277-F340 HydrophobicContact CD1-CZ 3.73Å; I277-F340 HydrophobicContact CG1-CZ 4.5Å; V299-F340 HydrophobicContact CG1-CE2 3.91Å; V299-F340 HydrophobicContact CG1-CZ 3.9Å; P316-F340 HydrophobicContact CB-CD1 3.48Å; P316-F340 VanDerWaalsContact CB-CD1 3.48Å; P316-F340 HydrophobicContact CB-CE1 3.68Å; L318-F340 HydrophobicContact CB-CB 4.36Å; L318-F340 HydrophobicContact CB-CD1 3.46Å; L318-F340 VanDerWaalsContact CB-CD1 3.46Å; L318-F340 HydrophobicContact CB-CE1 3.98Å; L318-F340 HydrophobicContact CB-CG 4.06Å; L318-F340 HydrophobicContact CD2-CD1 3.99Å; L318-F340 HydrophobicContact CD2-CD2 4.25Å; L318-F340 HydrophobicContact CD2-CE1 4.12Å; L318-F340 HydrophobicContact CD2-CE2 4.38Å; L318-F340 HydrophobicContact CD2-CG 4.07Å; L318-F340 HydrophobicContact CD2-CZ 4.34Å; L318-F340 HydrophobicContact CG-CD1 4.38Å; V336-F340 HydrophobicContact CG1-CD2 4.08Å; V336-F340 HydrophobicContact CG1-CE2 4.36Å; V336-F340 WeakPolarHBondContact O-CD2 3.26Å; V336-F340 PolarHBondContact O-N 3.25Å; V336-F340 VanDerWaalsContact O-N 3.13Å; F340-L342 PolarHBondContact O-N 3.27Å; F340-L343 HydrophobicContact CB-CD1 3.44Å; F340-L343 VanDerWaalsContact CB-CD1 3.44Å; F340-L343 HydrophobicContact CB-CG 3.57Å; F340-L343 HydrophobicContact CD2-CD1 4.36Å; F340-L343 HydrophobicContact CG-CD1 4.25Å; F340-L343 WeakPolarHBondContact O-CB 3.03Å; F340-L343 WeakPolarHBondContact O-CG 3.34Å; F340-L343 PolarHBondContact O-N 2.93Å | ||
| 341 | R | 87.1 | Confident | 86.5 | Confident | 147 Ų | 147 | 72 Ų | 72 | 56% | 0.555 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -18.5 | -177.5 | -58.3 | -177.3 | -177 | 166.6 | 0.7 | 114.4 | L338 C339 | L338-R341 VanDerWaalsContact O-CG 3.26Å; L338-R341 WeakPolarHBondContact O-CG 2.99Å; L338-R341 PolarHBondContact O-NE 2.95Å; C339-R341 PolarHBondContact O-N 3.28Å |
| 342 | L | 88.9 | Confident | 86.5 | Confident | 86 Ų | 86 | 69.5 Ų | 69.5 | 45% | 0.45 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 1.5 | 177.9 | -58.9 | -173.8 | 0 | 0 | 0 | 113.8 | L318 F340 R344 | L318-L342 CarbonylContact O-C 3.33Å; F340-L342 PolarHBondContact O-N 3.27Å; L342-R344 PolarHBondContact O-N 3Å |
| 343 | L | 88.5 | Confident | 86.7 | Confident | 35 Ų | 35 | 72.3 Ų | 72.3 | 18% | 0.183 | 34% | 0.344 | C | S | . | . | trans | -58.9 | 124.6 | 176.8 | -84 | 171.1 | 0 | 0 | 0 | 110.5 | L318 L321 F340 I346 | L318-L343 HydrophobicContact CB-CD2 4.44Å; L318-L343 HydrophobicContact CD2-CD2 4.1Å; L318-L343 HydrophobicContact CG-CD2 3.97Å; L318-L343 WeakPolarHBondContact O-CA 3.38Å; L318-L343 PolarHBondContact O-N 2.79Å; L321-L343 HydrophobicContact CB-CD2 3.91Å; F340-L343 HydrophobicContact CB-CD1 3.44Å; F340-L343 VanDerWaalsContact CB-CD1 3.44Å; F340-L343 HydrophobicContact CB-CG 3.57Å; F340-L343 HydrophobicContact CD2-CD1 4.36Å; F340-L343 HydrophobicContact CG-CD1 4.25Å; F340-L343 WeakPolarHBondContact O-CB 3.03Å; F340-L343 WeakPolarHBondContact O-CG 3.34Å; F340-L343 PolarHBondContact O-N 2.93Å; L343-I346 HydrophobicContact CD1-CD1 3.75Å; L343-I346 HydrophobicContact CD1-CG1 3.96Å; L343-I346 HydrophobicContact CD2-CG1 4.41Å | ||
| 344 | R | 89.3 | Confident | 86.7 | Confident | 202 Ų | 202 | 73.7 Ų | 73.7 | 76% | 0.762 | 35% | 0.345 | S | S | * | . | trans | -98.8 | -28.3 | 175.8 | -61.1 | -174.8 | 178.1 | -170 | -2.3 | 112 | R319 L342 | R319-R344 PolarHBondContact O-N 2.96Å; L342-R344 PolarHBondContact O-N 3Å | ||
| 345 | S | 88.3 | Confident | 86.8 | Confident | 49 Ų | 49 | 64.9 Ų | 64.9 | 34% | 0.343 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 135.6 | -177.7 | -176.4 | 0 | 0 | 0 | 0 | 110.5 | R319 L321 | R319-S345 PolarHBondContact O-N 3.09Å; L321-S345 PolarHBondContact N-O 3.4Å |
| 346 | I | 85.8 | Confident | 86.9 | Confident | 56 Ų | 56 | 66.6 Ų | 66.6 | 29% | 0.287 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 127.6 | 167.1 | -49.7 | 175.6 | 0 | 0 | 0 | 106.9 | L321 I332 L343 I348 | L321-I346 HydrophobicContact CD2-CG2 4.47Å; L321-I346 HydrophobicContact CG-CG2 4.46Å; L321-I346 WeakPolarHBondContact O-CA 3.46Å; I332-I346 HydrophobicContact CG1-CG2 4.36Å; L343-I346 HydrophobicContact CD1-CD1 3.75Å; L343-I346 HydrophobicContact CD1-CG1 3.96Å; L343-I346 HydrophobicContact CD2-CG1 4.41Å; I346-I348 HydrophobicContact CG2-CD1 3.79Å; I346-I348 HydrophobicContact CG2-CG1 3.93Å |
| 347 | V | 86.3 | Confident | 87 | Confident | 47 Ų | 47 | 72.1 Ų | 72.1 | 29% | 0.285 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 124.8 | 178 | -170 | 0 | 0 | 0 | 0 | 108.1 | Y320 L321 R322 L323 D324 | Y320-V347 HydrophobicContact CE2-CG2 4.44Å; L321-V347 PolarHBondContact O-N 3.34Å; L321-V347 VanDerWaalsContact O-N 3.14Å; R322-V347 HydrophobicContact CG-CB 4.15Å; L323-V347 CarbonylContact C-O 3.46Å; L323-V347 WeakPolarHBondContact CA-O 3.07Å; L323-V347 PolarHBondContact N-O 2.66Å; D324-V347 HydrophobicContact CB-CG1 4.08Å; D324-V347 PolarHBondContact N-O 2.92Å |
| 348 | I | 82.8 | Confident | 87.1 | Confident | 86 Ų | 86 | 71.7 Ų | 71.7 | 44% | 0.441 | 34% | 0.339 | S | S | . | . | trans | -137.9 | 0 | -175.7 | -57.1 | 144.5 | 0 | 0 | 0 | 108.8 | L323 D324 I328 P330 I332 I346 | L323-I348 HydrophobicContact CB-CG1 4.27Å; D324-I348 VanDerWaalsContact CA-OXT 3.29Å; D324-I348 WeakPolarHBondContact CA-OXT 3.44Å; I328-I348 HydrophobicContact CG2-CG2 4.38Å; P330-I348 HydrophobicContact CG-CG2 4.24Å; I332-I348 HydrophobicContact CD1-CD1 3.43Å; I332-I348 VanDerWaalsContact CD1-CD1 3.43Å; I332-I348 HydrophobicContact CD1-CG1 3.94Å; I332-I348 HydrophobicContact CG1-CD1 3.16Å; I332-I348 HydrophobicContact CG1-CG1 4.19Å; I346-I348 HydrophobicContact CG2-CD1 3.79Å; I346-I348 HydrophobicContact CG2-CG1 3.93Å |
Retrieved 348 of 348 residues in 121.6 ms
(Link to these results)