| 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 | 42.8 | Very low | 59.7 | Low | 245 Ų | 245 | 122.5 Ų | 122.5 | 100% | 1.207 | 63% | 0.627 | S | S | * | * | 0 | 83.4 | 0 | -62.8 | -154.6 | -127.4 | 0 | 0 | 107.6 | |||||
| 2 | Q | 54.5 | Low | 60.5 | Low | 183 Ų | 183 | 124.8 Ų | 124.8 | 86% | 0.855 | 63% | 0.629 | S | S | * | * | trans | -75.5 | 129.2 | 171.2 | -91.3 | 166 | -32 | 0 | 0 | 108 | ||||
| 3 | S | 60.2 | Low | 61.3 | Low | 50 Ų | 50 | 124 Ų | 124 | 35% | 0.35 | 63% | 0.628 | S | S | . | * | trans | -76.6 | 138.1 | -150.2 | 175 | 0 | 0 | 0 | 0 | 111.1 | E5 E6 | S3-E5 PolarHBondContact O-N 2.8Å; S3-E5 WeakPolarHBondContact OG-CB 3.21Å; S3-E5 WeakPolarHBondContact OG-CG 3.26Å; S3-E5 PolarHBondContact OG-N 3.43Å; S3-E5 VanDerWaalsContact OG-N 3.16Å; S3-E5 PolarHBondContact OG-OE2 3.27Å; S3-E6 PolarHBondContact O-N 3.5Å | ||
| 4 | R | 64.9 | Low | 62.1 | Low | 210 Ų | 210 | 122.1 Ų | 122.1 | 79% | 0.792 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -42.7 | -23.6 | 164.1 | 176.3 | 177.5 | 167.3 | 177.5 | -3.1 | 113.3 | L8 | R4-L8 HydrophobicContact CG-CD1 4.23Å; R4-L8 WeakPolarHBondContact O-CG 3.03Å; R4-L8 PolarHBondContact O-N 3.31Å; R4-L8 VanDerWaalsContact O-N 3.17Å |
| 5 | E | 62.3 | Low | 63.1 | Low | 135 Ų | 135 | 122.9 Ų | 122.9 | 63% | 0.631 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66.5 | -36.5 | 175.8 | -66.1 | 167.8 | 144.4 | 0 | 0 | 114 | S3 L8 L9 | S3-E5 PolarHBondContact O-N 2.8Å; S3-E5 WeakPolarHBondContact OG-CB 3.21Å; S3-E5 WeakPolarHBondContact OG-CG 3.26Å; S3-E5 PolarHBondContact OG-N 3.43Å; S3-E5 VanDerWaalsContact OG-N 3.16Å; S3-E5 PolarHBondContact OG-OE2 3.27Å; E5-L8 PolarHBondContact O-N 3.32Å; E5-L9 WeakPolarHBondContact O-CG 3.48Å; E5-L9 PolarHBondContact O-N 3.41Å |
| 6 | E | 60.9 | Low | 64 | Low | 125 Ų | 125 | 118.9 Ų | 118.9 | 58% | 0.584 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67.1 | -39.7 | 176.6 | -72.8 | -178.7 | 138.3 | 0 | 0 | 111.2 | S3 L8 L9 G10 | S3-E6 PolarHBondContact O-N 3.5Å; E6-L8 VanDerWaalsContact C-N 3.29Å; E6-L8 PolarHBondContact O-N 3.31Å; E6-L9 PolarHBondContact O-N 3.33Å; E6-G10 PolarHBondContact O-N 2.92Å |
| 7 | A | 59.9 | Low | 64.5 | Low | 67 Ų | 67 | 121.4 Ų | 121.4 | 55% | 0.554 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.7 | -34.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L11 | A7-L11 PolarHBondContact O-N 3.25Å; A7-L11 VanDerWaalsContact O-N 3.12Å |
| 8 | L | 58.6 | Low | 64.9 | Low | 86 Ų | 86 | 125.6 Ų | 125.6 | 45% | 0.45 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -73.6 | -32.8 | 176.1 | -73 | 171.7 | 0 | 0 | 0 | 112.7 | R4 E5 E6 L11 K12 | R4-L8 HydrophobicContact CG-CD1 4.23Å; R4-L8 WeakPolarHBondContact O-CG 3.03Å; R4-L8 PolarHBondContact O-N 3.31Å; R4-L8 VanDerWaalsContact O-N 3.17Å; E5-L8 PolarHBondContact O-N 3.32Å; E6-L8 VanDerWaalsContact C-N 3.29Å; E6-L8 PolarHBondContact O-N 3.31Å; L8-L11 PolarHBondContact O-N 3.42Å; L8-K12 PolarHBondContact O-N 3.39Å; L8-K12 VanDerWaalsContact O-N 3.16Å |
| 9 | L | 64.3 | Low | 65.5 | Low | 108 Ų | 108 | 122.3 Ų | 122.3 | 57% | 0.565 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63 | -47.1 | 171.4 | -77 | 161.2 | 0 | 0 | 0 | 110.5 | E5 E6 L11 K12 D13 | E5-L9 WeakPolarHBondContact O-CG 3.48Å; E5-L9 PolarHBondContact O-N 3.41Å; E6-L9 PolarHBondContact O-N 3.33Å; L9-L11 VanDerWaalsContact C-N 3.29Å; L9-L11 PolarHBondContact O-N 2.78Å; L9-K12 PolarHBondContact O-N 3.48Å; L9-D13 PolarHBondContact O-N 3.31Å; L9-D13 VanDerWaalsContact O-N 3.12Å |
| 10 | G | 65 | Low | 65.7 | Low | 36 Ų | 36 | 119.3 Ų | 119.3 | 37% | 0.371 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -60.5 | -36.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E6 D13 V14 | E6-G10 PolarHBondContact O-N 2.92Å; G10-D13 PolarHBondContact O-N 3.41Å; G10-V14 VanDerWaalsContact O-CG2 3.3Å; G10-V14 WeakPolarHBondContact O-CG2 3.47Å; G10-V14 PolarHBondContact O-N 3.49Å; G10-V14 VanDerWaalsContact O-N 3.1Å |
| 11 | L | 62.8 | Low | 65.7 | Low | 103 Ų | 103 | 115.8 Ų | 115.8 | 54% | 0.539 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.6 | -40.3 | 176 | -108 | 148.7 | 0 | 0 | 0 | 112.9 | A7 L8 L9 V14 E15 | A7-L11 PolarHBondContact O-N 3.25Å; A7-L11 VanDerWaalsContact O-N 3.12Å; L8-L11 PolarHBondContact O-N 3.42Å; L9-L11 VanDerWaalsContact C-N 3.29Å; L9-L11 PolarHBondContact O-N 2.78Å; L11-V14 PolarHBondContact O-N 3.3Å; L11-E15 PolarHBondContact O-N 3.17Å |
| 12 | K | 69.5 | Low | 66.8 | Low | 149 Ų | 149 | 107.2 Ų | 107.2 | 65% | 0.648 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.6 | -39.3 | 175.7 | -75.7 | -179.9 | 179.8 | 178.3 | 0 | 112.1 | L8 L9 V14 E15 A16 | L8-K12 PolarHBondContact O-N 3.39Å; L8-K12 VanDerWaalsContact O-N 3.16Å; L9-K12 PolarHBondContact O-N 3.48Å; K12-V14 VanDerWaalsContact C-N 3.33Å; K12-E15 PolarHBondContact O-N 2.94Å; K12-A16 WeakPolarHBondContact O-CB 3.07Å; K12-A16 PolarHBondContact O-N 3.21Å |
| 13 | D | 71.7 | Confident | 67.4 | Low | 115 Ų | 115 | 102 Ų | 102 | 62% | 0.615 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.1 | -37.1 | 177.3 | -74.3 | -25.7 | 0 | 0 | 0 | 111.7 | L9 G10 A16 F17 | L9-D13 PolarHBondContact O-N 3.31Å; L9-D13 VanDerWaalsContact O-N 3.12Å; G10-D13 PolarHBondContact O-N 3.41Å; D13-A16 PolarHBondContact O-N 3.41Å; D13-F17 VanDerWaalsContact O-CB 3.26Å; D13-F17 WeakPolarHBondContact O-CB 3.36Å; D13-F17 PolarHBondContact O-N 3.05Å |
| 14 | V | 72 | Confident | 67.3 | Low | 97 Ų | 97 | 106.2 Ų | 106.2 | 59% | 0.588 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.5 | -41.7 | 175.5 | 173.4 | 0 | 0 | 0 | 0 | 111.7 | G10 L11 K12 F17 R18 | G10-V14 VanDerWaalsContact O-CG2 3.3Å; G10-V14 WeakPolarHBondContact O-CG2 3.47Å; G10-V14 PolarHBondContact O-N 3.49Å; G10-V14 VanDerWaalsContact O-N 3.1Å; L11-V14 PolarHBondContact O-N 3.3Å; K12-V14 VanDerWaalsContact C-N 3.33Å; V14-F17 PolarHBondContact O-N 3.39Å; V14-R18 WeakPolarHBondContact O-CB 3.39Å; V14-R18 PolarHBondContact O-N 3.19Å |
| 15 | E | 77 | Confident | 66.8 | Low | 134 Ų | 134 | 104.3 Ų | 104.3 | 63% | 0.626 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.3 | -41.9 | 174.7 | -77.9 | -173 | 170.5 | 0 | 0 | 112 | L11 K12 R18 A19 | L11-E15 PolarHBondContact O-N 3.17Å; K12-E15 PolarHBondContact O-N 2.94Å; E15-R18 PolarHBondContact O-N 3Å; E15-A19 WeakPolarHBondContact O-CB 3.48Å; E15-A19 PolarHBondContact O-N 3.45Å |
| 16 | A | 77 | Confident | 66.2 | Low | 59 Ų | 59 | 101 Ų | 101 | 49% | 0.488 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.4 | -42.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K12 D13 A19 A20 | K12-A16 WeakPolarHBondContact O-CB 3.07Å; K12-A16 PolarHBondContact O-N 3.21Å; D13-A16 PolarHBondContact O-N 3.41Å; A16-A19 PolarHBondContact O-N 3.12Å; A16-A20 WeakPolarHBondContact O-CB 3.42Å; A16-A20 PolarHBondContact O-N 3.2Å |
| 17 | F | 72.3 | Confident | 65.5 | Low | 161 Ų | 161 | 100.1 Ų | 100.1 | 71% | 0.706 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62.5 | -43.4 | 175.2 | -177.1 | -97.1 | 0 | 0 | 0 | 111.7 | D13 V14 A20 A21 | D13-F17 VanDerWaalsContact O-CB 3.26Å; D13-F17 WeakPolarHBondContact O-CB 3.36Å; D13-F17 PolarHBondContact O-N 3.05Å; V14-F17 PolarHBondContact O-N 3.39Å; F17-A20 PolarHBondContact O-N 3.35Å; F17-A21 WeakPolarHBondContact O-CB 3.49Å; F17-A21 PolarHBondContact O-N 3.2Å |
| 18 | R | 73.2 | Confident | 64.9 | Low | 198 Ų | 198 | 104.7 Ų | 104.7 | 75% | 0.747 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.7 | -41.2 | 176.7 | -176.1 | -179.9 | -104 | -150.2 | -4.1 | 111.9 | V14 E15 A21 A22 | V14-R18 WeakPolarHBondContact O-CB 3.39Å; V14-R18 PolarHBondContact O-N 3.19Å; E15-R18 PolarHBondContact O-N 3Å; R18-A21 PolarHBondContact O-N 3.38Å; R18-A22 WeakPolarHBondContact O-CB 3.37Å; R18-A22 PolarHBondContact O-N 2.72Å |
| 19 | A | 75.2 | Confident | 64.1 | Low | 63 Ų | 63 | 103.9 Ų | 103.9 | 52% | 0.521 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66.5 | -40.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E15 A16 A22 A23 | E15-A19 WeakPolarHBondContact O-CB 3.48Å; E15-A19 PolarHBondContact O-N 3.45Å; A16-A19 PolarHBondContact O-N 3.12Å; A19-A22 PolarHBondContact O-N 3.36Å; A19-A23 WeakPolarHBondContact O-CB 3.35Å; A19-A23 PolarHBondContact O-N 3.33Å |
| 20 | A | 70.3 | Confident | 63 | Low | 61 Ų | 61 | 106 Ų | 106 | 50% | 0.504 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -63.4 | -45 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A16 F17 A22 A23 D24 | A16-A20 WeakPolarHBondContact O-CB 3.42Å; A16-A20 PolarHBondContact O-N 3.2Å; F17-A20 PolarHBondContact O-N 3.35Å; A20-A22 VanDerWaalsContact C-N 3.34Å; A20-A22 PolarHBondContact O-N 3.45Å; A20-A23 PolarHBondContact O-N 3.33Å; A20-D24 PolarHBondContact O-N 2.97Å |
| 21 | A | 66 | Low | 61.6 | Low | 46 Ų | 46 | 108.4 Ų | 108.4 | 38% | 0.38 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -64 | -37.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F17 R18 D24 Q25 | F17-A21 WeakPolarHBondContact O-CB 3.49Å; F17-A21 PolarHBondContact O-N 3.2Å; R18-A21 PolarHBondContact O-N 3.38Å; A21-D24 PolarHBondContact O-N 3.38Å; A21-Q25 PolarHBondContact O-N 3.42Å |
| 22 | A | 65.8 | Low | 60.4 | Low | 65 Ų | 65 | 107 Ų | 107 | 54% | 0.537 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -69.8 | -35.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R18 A19 A20 | R18-A22 WeakPolarHBondContact O-CB 3.37Å; R18-A22 PolarHBondContact O-N 2.72Å; A19-A22 PolarHBondContact O-N 3.36Å; A20-A22 VanDerWaalsContact C-N 3.34Å; A20-A22 PolarHBondContact O-N 3.45Å |
| 23 | A | 66 | Low | 58.9 | Low | 74 Ų | 74 | 109.3 Ų | 109.3 | 61% | 0.612 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -67.6 | -37.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A19 A20 G26 | A19-A23 WeakPolarHBondContact O-CB 3.35Å; A19-A23 PolarHBondContact O-N 3.33Å; A20-A23 PolarHBondContact O-N 3.33Å; A23-G26 PolarHBondContact O-N 3.2Å |
| 24 | D | 59.3 | Low | 57.8 | Low | 139 Ų | 139 | 115.5 Ų | 115.5 | 74% | 0.743 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -68.5 | -33.2 | -180 | -163.1 | 52.8 | 0 | 0 | 0 | 112.6 | A20 A21 G26 | A20-D24 PolarHBondContact O-N 2.97Å; A21-D24 PolarHBondContact O-N 3.38Å; D24-G26 VanDerWaalsContact C-N 3.27Å; D24-G26 PolarHBondContact O-N 3.34Å |
| 25 | Q | 53.8 | Low | 56.6 | Low | 169 Ų | 169 | 121.1 Ų | 121.1 | 79% | 0.79 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -75.4 | -11 | 175.3 | -70.7 | -168.5 | -6.1 | 0 | 0 | 114.3 | A21 | A21-Q25 PolarHBondContact O-N 3.42Š|
| 26 | G | 48.9 | Very low | 55.1 | Low | 67 Ų | 67 | 118 Ų | 118 | 69% | 0.691 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -84.5 | -5.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | A23 D24 | A23-G26 PolarHBondContact O-N 3.2Å; D24-G26 VanDerWaalsContact C-N 3.27Å; D24-G26 PolarHBondContact O-N 3.34Å |
| 27 | S | 47.8 | Very low | 53.4 | Low | 105 Ų | 105 | 124.1 Ų | 124.1 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -112.2 | 37.4 | -176.3 | -170.4 | 0 | 0 | 0 | 0 | 113.6 | G29 | S27-G29 PolarHBondContact O-N 3.2Š|
| 28 | N | 47.2 | Very low | 52.1 | Low | 164 Ų | 164 | 125.6 Ų | 125.6 | 88% | 0.877 | 75% | 0.748 | S | S | * | * | trans | -92.1 | 88.3 | 165.3 | -100 | -13 | 0 | 0 | 0 | 110.7 | ||||
| 29 | G | 41.2 | Very low | 50.8 | Low | 69 Ų | 69 | 125 Ų | 125 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | trans | 89.7 | 94.4 | 137.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | S27 | S27-G29 PolarHBondContact O-N 3.2Š| ||
| 30 | T | 41.7 | Very low | 49.4 | Very low | 151 Ų | 151 | 131 Ų | 131 | 93% | 0.926 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -134.6 | 110.3 | 135.5 | 46.7 | 0 | 0 | 0 | 0 | 109.9 | ||
| 31 | G | 35.1 | Very low | 48.5 | Very low | 88 Ų | 88 | 136.3 Ų | 136.3 | 91% | 0.907 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 117.1 | 70.7 | 156 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 32 | G | 36.8 | Very low | 47.8 | Very low | 74 Ų | 74 | 142.9 Ų | 142.9 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | trans | -178.3 | 83.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113 | R34 | G32-R34 PolarHBondContact O-N 2.75Š| ||
| 33 | H | 38.9 | Very low | 47.3 | Very low | 197 Ų | 197 | 143 Ų | 143 | 91% | 0.912 | 80% | 0.802 | S | S | * | * | trans | -44.1 | 108.1 | 175.7 | -69.9 | -86.2 | 0 | 0 | 0 | 113.5 | ||||
| 34 | R | 48.8 | Very low | 46.8 | Very low | 244 Ų | 244 | 142.1 Ų | 142.1 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | trans | -136.6 | 103.4 | 144.8 | -75.6 | -163.2 | 176.3 | -178.9 | -0.3 | 109.8 | G32 G36 | G32-R34 PolarHBondContact O-N 2.75Å; R34-G36 PolarHBondContact O-N 3.03Å | ||
| 35 | K | 46 | Very low | 46.8 | Very low | 215 Ų | 215 | 143.1 Ų | 143.1 | 94% | 0.935 | 79% | 0.793 | S | S | * | * | trans | -52 | 119.6 | 167.7 | -157.4 | 175 | -175 | -177.4 | 0 | 109.1 | ||||
| 36 | G | 45.6 | Very low | 47.2 | Very low | 70 Ų | 70 | 139.6 Ų | 139.6 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | -172.7 | 58.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | R34 E38 | R34-G36 PolarHBondContact O-N 3.03Å; G36-E38 PolarHBondContact O-N 3.42Å; G36-E38 VanDerWaalsContact O-N 3.1Å | ||
| 37 | Q | 41 | Very low | 47.8 | Very low | 186 Ų | 186 | 141.7 Ų | 141.7 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | trans | -63.2 | 100.8 | 161.9 | -87.9 | 173.6 | -58.6 | 0 | 0 | 106.6 | ||||
| 38 | E | 46.3 | Very low | 48.3 | Very low | 193 Ų | 193 | 142 Ų | 142 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 121.5 | 145.6 | -116.7 | 171.5 | 172.8 | 0 | 0 | 105.3 | G36 | G36-E38 PolarHBondContact O-N 3.42Å; G36-E38 VanDerWaalsContact O-N 3.1Å |
| 39 | E | 45.9 | Very low | 48.9 | Very low | 184 Ų | 184 | 138 Ų | 138 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 149.8 | -175.8 | -69.2 | 170.8 | 126.8 | 0 | 0 | 111.4 | E41 | E39-E41 PolarHBondContact O-N 2.87Š|
| 40 | E | 46 | Very low | 49.9 | Very low | 191 Ų | 191 | 137.4 Ų | 137.4 | 89% | 0.893 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 118.9 | 178.4 | -62.4 | 163.3 | 125.4 | 0 | 0 | 111.4 | ||
| 41 | E | 50.9 | Low | 50.9 | Low | 171 Ų | 171 | 134.5 Ų | 134.5 | 80% | 0.799 | 72% | 0.721 | S | S | * | * | trans | -99.7 | 94 | 143.3 | -159.2 | 176.6 | 157.3 | 0 | 0 | 105.5 | E39 V43 | E39-E41 PolarHBondContact O-N 2.87Å; E41-V43 HydrophobicContact CB-CG2 4.18Å; E41-V43 HydrophobicContact CG-CG2 3.83Å; E41-V43 PolarHBondContact O-N 3.48Å | ||
| 42 | E | 51.5 | Low | 52.2 | Low | 184 Ų | 184 | 135.2 Ų | 135.2 | 86% | 0.86 | 70% | 0.703 | S | S | * | * | trans | -64.5 | 78 | 166 | -171.8 | -174.4 | 178.1 | 0 | 0 | 107.1 | S44 | E42-S44 VanDerWaalsContact C-N 3.31Å; E42-S44 PolarHBondContact O-N 3.09Å | ||
| 43 | V | 55.2 | Low | 53.3 | Low | 68 Ų | 68 | 138 Ų | 138 | 41% | 0.412 | 70% | 0.697 | S | S | . | * | trans | -66.6 | 98 | 175.1 | -177.2 | 0 | 0 | 0 | 0 | 106.3 | E41 M45 H48 | E41-V43 HydrophobicContact CB-CG2 4.18Å; E41-V43 HydrophobicContact CG-CG2 3.83Å; E41-V43 PolarHBondContact O-N 3.48Å; V43-M45 PolarHBondContact O-N 3.12Å; V43-M45 VanDerWaalsContact O-N 3.09Å; V43-H48 WeakPolarHBondContact CG1-NE2 3.3Å | ||
| 44 | S | 54.4 | Low | 54.3 | Low | 56 Ų | 56 | 132.3 Ų | 132.3 | 39% | 0.392 | 68% | 0.679 | S | S | . | * | trans | -51.7 | 115.9 | 177.9 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | E42 T46 D47 | E42-S44 VanDerWaalsContact C-N 3.31Å; E42-S44 PolarHBondContact O-N 3.09Å; S44-T46 PolarHBondContact O-N 3.49Å; S44-T46 PolarHBondContact OG-OG1 2.84Å; S44-D47 PolarHBondContact O-N 3.2Å | ||
| 45 | M | 59.5 | Low | 54.8 | Low | 159 Ų | 159 | 123.7 Ų | 123.7 | 78% | 0.783 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -54.6 | -18.2 | -179.2 | -69.7 | -142.3 | -62.5 | 0 | 0 | 113.6 | V43 D47 H48 T49 | V43-M45 PolarHBondContact O-N 3.12Å; V43-M45 VanDerWaalsContact O-N 3.09Å; M45-D47 VanDerWaalsContact C-N 3.31Å; M45-D47 PolarHBondContact O-N 3.14Å; M45-H48 PolarHBondContact O-N 3.13Å; M45-T49 PolarHBondContact O-N 2.86Å |
| 46 | T | 62.3 | Low | 55.4 | Low | 95 Ų | 95 | 121.7 Ų | 121.7 | 58% | 0.583 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -60.7 | -33 | 175.9 | -15.3 | 0 | 0 | 0 | 0 | 113.6 | S44 T49 A50 | S44-T46 PolarHBondContact O-N 3.49Å; S44-T46 PolarHBondContact OG-OG1 2.84Å; T46-T49 PolarHBondContact O-OG1 3.14Å; T46-T49 VanDerWaalsContact O-OG1 3.12Å; T46-A50 PolarHBondContact O-N 3.13Å |
| 47 | D | 61.8 | Low | 55.9 | Low | 111 Ų | 111 | 127.8 Ų | 127.8 | 59% | 0.594 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -74.8 | -30.7 | 179.7 | -74.5 | -19.5 | 0 | 0 | 0 | 112.2 | S44 M45 T51 | S44-D47 PolarHBondContact O-N 3.2Å; M45-D47 VanDerWaalsContact C-N 3.31Å; M45-D47 PolarHBondContact O-N 3.14Å; D47-T51 PolarHBondContact O-N 3.29Å; D47-T51 PolarHBondContact O-OG1 3.31Å |
| 48 | H | 59.1 | Low | 56.6 | Low | 112 Ų | 112 | 122 Ų | 122 | 52% | 0.519 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -70.1 | -37.3 | 177.9 | -71.2 | -50.2 | 0 | 0 | 0 | 112.5 | V43 M45 T51 L52 | V43-H48 WeakPolarHBondContact CG1-NE2 3.3Å; M45-H48 PolarHBondContact O-N 3.13Å; H48-T51 PolarHBondContact O-N 3.14Å; H48-L52 WeakPolarHBondContact O-CG 3.44Å; H48-L52 PolarHBondContact O-N 2.76Å |
| 49 | T | 60.2 | Low | 57.2 | Low | 79 Ų | 79 | 118.4 Ų | 118.4 | 49% | 0.485 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -71.8 | -37.7 | 179.5 | 54.4 | 0 | 0 | 0 | 0 | 112.4 | M45 T46 T51 L52 E53 | M45-T49 PolarHBondContact O-N 2.86Å; T46-T49 PolarHBondContact O-OG1 3.14Å; T46-T49 VanDerWaalsContact O-OG1 3.12Å; T49-T51 VanDerWaalsContact C-N 3.29Å; T49-T51 PolarHBondContact O-N 3.24Å; T49-L52 PolarHBondContact O-N 3.09Å; T49-E53 PolarHBondContact O-N 3.49Å |
| 50 | A | 61.2 | Low | 57.5 | Low | 58 Ų | 58 | 117 Ų | 117 | 48% | 0.479 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -62.8 | -37.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T46 S54 | T46-A50 PolarHBondContact O-N 3.13Å; A50-S54 PolarHBondContact O-N 2.95Å |
| 51 | T | 62.2 | Low | 57.7 | Low | 90 Ų | 90 | 112.5 Ų | 112.5 | 55% | 0.552 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.8 | -43.2 | 175.1 | -55.7 | 0 | 0 | 0 | 0 | 111.2 | D47 H48 T49 S54 A55 | D47-T51 PolarHBondContact O-N 3.29Å; D47-T51 PolarHBondContact O-OG1 3.31Å; H48-T51 PolarHBondContact O-N 3.14Å; T49-T51 VanDerWaalsContact C-N 3.29Å; T49-T51 PolarHBondContact O-N 3.24Å; T51-S54 PolarHBondContact O-N 3.46Å; T51-S54 PolarHBondContact O-OG 3.18Å; T51-A55 PolarHBondContact O-N 2.93Å |
| 52 | L | 62 | Low | 58 | Low | 102 Ų | 102 | 109.6 Ų | 109.6 | 53% | 0.534 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.7 | -45 | 178.8 | -70.2 | 174 | 0 | 0 | 0 | 112.3 | H48 T49 S54 A55 F56 | H48-L52 WeakPolarHBondContact O-CG 3.44Å; H48-L52 PolarHBondContact O-N 2.76Å; T49-L52 PolarHBondContact O-N 3.09Å; L52-S54 PolarHBondContact O-N 3.1Å; L52-A55 WeakPolarHBondContact O-CB 3.08Å; L52-A55 PolarHBondContact O-N 2.89Å; L52-F56 WeakPolarHBondContact O-CD2 3.1Å; L52-F56 PolarHBondContact O-N 3.01Å |
| 53 | E | 60.1 | Low | 58.1 | Low | 134 Ų | 134 | 106.6 Ų | 106.6 | 63% | 0.626 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -58.5 | -38.3 | 176.6 | -73.7 | -173.3 | 166.6 | 0 | 0 | 111.6 | T49 A55 F56 Y57 | T49-E53 PolarHBondContact O-N 3.49Å; E53-A55 VanDerWaalsContact C-N 3.34Å; E53-A55 PolarHBondContact O-N 3.07Å; E53-F56 PolarHBondContact O-N 3.43Å; E53-Y57 WeakPolarHBondContact O-CB 3.39Å; E53-Y57 PolarHBondContact O-N 3.46Å |
| 54 | S | 60.6 | Low | 57.9 | Low | 76 Ų | 76 | 108 Ų | 108 | 53% | 0.531 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.4 | -34.4 | 175.4 | 84.9 | 0 | 0 | 0 | 0 | 113.5 | A50 T51 L52 F56 Y57 S58 | A50-S54 PolarHBondContact O-N 2.95Å; T51-S54 PolarHBondContact O-N 3.46Å; T51-S54 PolarHBondContact O-OG 3.18Å; L52-S54 PolarHBondContact O-N 3.1Å; S54-F56 VanDerWaalsContact C-N 3.34Å; S54-Y57 PolarHBondContact O-N 2.05Å; S54-S58 PolarHBondContact O-N 3.27Å |
| 55 | A | 59.5 | Low | 57.8 | Low | 64 Ų | 64 | 111.9 Ų | 111.9 | 53% | 0.529 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -69.6 | -33.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T51 L52 E53 S58 | T51-A55 PolarHBondContact O-N 2.93Å; L52-A55 WeakPolarHBondContact O-CB 3.08Å; L52-A55 PolarHBondContact O-N 2.89Å; E53-A55 VanDerWaalsContact C-N 3.34Å; E53-A55 PolarHBondContact O-N 3.07Å; A55-S58 WeakPolarHBondContact O-CB 3.4Å |
| 56 | F | 58.7 | Low | 57.5 | Low | 173 Ų | 173 | 110.7 Ų | 110.7 | 76% | 0.759 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -83.7 | -23.8 | 175.8 | -66.2 | -70.6 | 0 | 0 | 0 | 113.3 | L52 E53 S54 S58 | L52-F56 WeakPolarHBondContact O-CD2 3.1Å; L52-F56 PolarHBondContact O-N 3.01Å; E53-F56 PolarHBondContact O-N 3.43Å; S54-F56 VanDerWaalsContact C-N 3.34Å; F56-S58 PolarHBondContact O-N 2.99Å |
| 57 | Y | 55 | Low | 56.9 | Low | 197 Ų | 197 | 115.3 Ų | 115.3 | 77% | 0.773 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | 19.5 | 170.9 | -94 | -80.6 | 0 | 0 | 0 | 113.9 | E53 S54 P59 | E53-Y57 WeakPolarHBondContact O-CB 3.39Å; E53-Y57 PolarHBondContact O-N 3.46Å; S54-Y57 PolarHBondContact O-N 2.05Å; Y57-P59 WeakPolarHBondContact O-CD 3.38Å |
| 58 | S | 56 | Low | 56.4 | Low | 66 Ų | 66 | 118.4 Ų | 118.4 | 46% | 0.462 | 61% | 0.609 | S | S | . | * | trans | -63 | 103.1 | 167.1 | -172.4 | 0 | 0 | 0 | 0 | 108.8 | S54 A55 F56 F60 | S54-S58 PolarHBondContact O-N 3.27Å; A55-S58 WeakPolarHBondContact O-CB 3.4Å; F56-S58 PolarHBondContact O-N 2.99Å; S58-F60 PolarHBondContact O-N 3.39Å; S58-F60 WeakPolarHBondContact OG-CD2 3.26Å | ||
| 59 | P | 58.7 | Low | 56.1 | Low | 116 Ų | 116 | 119.4 Ų | 119.4 | 75% | 0.753 | 61% | 0.614 | S | S | * | * | trans | -85.4 | 62.6 | 178.3 | 34.4 | -20.8 | 0 | 0 | 0 | 106.3 | Y57 P61 | Y57-P59 WeakPolarHBondContact O-CD 3.38Å; P59-P61 VanDerWaalsContact O-CD 3.26Å; P59-P61 WeakPolarHBondContact O-CD 3.3Å | ||
| 60 | F | 52.5 | Low | 55.8 | Low | 156 Ų | 156 | 121.4 Ų | 121.4 | 68% | 0.684 | 62% | 0.622 | S | S | * | * | trans | -92.6 | 102.5 | 168.4 | -85.6 | -90.1 | 0 | 0 | 0 | 107.7 | S58 | S58-F60 PolarHBondContact O-N 3.39Å; S58-F60 WeakPolarHBondContact OG-CD2 3.26Å | ||
| 61 | P | 50.6 | Low | 55.5 | Low | 96 Ų | 96 | 122.1 Ų | 122.1 | 62% | 0.623 | 62% | 0.62 | S | S | * | * | trans | -84.6 | 132.6 | -169.4 | 34.3 | -29 | 0 | 0 | 0 | 109.4 | P59 E63 | P59-P61 VanDerWaalsContact O-CD 3.26Å; P59-P61 WeakPolarHBondContact O-CD 3.3Å; P61-E63 PolarHBondContact O-N 2.92Å | ||
| 62 | V | 56.5 | Low | 55.2 | Low | 110 Ų | 110 | 123.8 Ų | 123.8 | 67% | 0.667 | 63% | 0.63 | S | S | * | * | S | Bend | trans | 64.1 | -7.2 | 156.2 | -166.1 | 0 | 0 | 0 | 0 | 117.9 | V64 E65 | V62-V64 PolarHBondContact O-N 3.5Å; V62-E65 PolarHBondContact O-N 3.32Å |
| 63 | E | 53.3 | Low | 54.8 | Low | 121 Ų | 121 | 124.2 Ų | 124.2 | 57% | 0.565 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -69.7 | -19.4 | 174.5 | -75.3 | -167.2 | 157.2 | 0 | 0 | 113.7 | P61 E65 Q66 R67 | P61-E63 PolarHBondContact O-N 2.92Å; E63-E65 VanDerWaalsContact C-N 3.3Å; E63-E65 PolarHBondContact O-N 3.45Å; E63-Q66 PolarHBondContact O-N 3.07Å; E63-R67 PolarHBondContact O-N 3.42Å |
| 64 | V | 52.6 | Low | 54.6 | Low | 97 Ų | 97 | 121.9 Ų | 121.9 | 59% | 0.588 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.1 | -38 | 178.3 | -179.2 | 0 | 0 | 0 | 0 | 110.8 | V62 Q66 R67 W68 | V62-V64 PolarHBondContact O-N 3.5Å; V64-Q66 VanDerWaalsContact C-N 3.34Å; V64-Q66 PolarHBondContact O-N 3.39Å; V64-R67 PolarHBondContact O-N 3.42Å; V64-W68 PolarHBondContact O-N 3.29Å |
| 65 | E | 52.2 | Low | 54.4 | Low | 138 Ų | 138 | 126.4 Ų | 126.4 | 65% | 0.645 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.5 | -37.6 | 178.6 | -103.5 | 178.1 | 151.3 | 0 | 0 | 112.6 | V62 E63 W68 Q69 | V62-E65 PolarHBondContact O-N 3.32Å; E63-E65 VanDerWaalsContact C-N 3.3Å; E63-E65 PolarHBondContact O-N 3.45Å; E65-W68 PolarHBondContact O-N 3.39Å; E65-Q69 PolarHBondContact O-N 3.1Å |
| 66 | Q | 52.7 | Low | 54.5 | Low | 133 Ų | 133 | 127.3 Ų | 127.3 | 62% | 0.621 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70 | -35.1 | 178.2 | -77 | -172.8 | -1.2 | 0 | 0 | 112.9 | E63 V64 W68 Q69 N70 | E63-Q66 PolarHBondContact O-N 3.07Å; V64-Q66 VanDerWaalsContact C-N 3.34Å; V64-Q66 PolarHBondContact O-N 3.39Å; Q66-W68 VanDerWaalsContact C-N 3.32Å; Q66-W68 PolarHBondContact O-N 3.33Å; Q66-Q69 PolarHBondContact O-N 3.43Å; Q66-N70 PolarHBondContact O-N 3.12Å |
| 67 | R | 49.6 | Very low | 54.7 | Low | 193 Ų | 193 | 124 Ų | 124 | 73% | 0.728 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -62.5 | -40.4 | 175.6 | -77.9 | -169.1 | -171.5 | -169.8 | 4.4 | 111.5 | E63 V64 N70 V71 | E63-R67 PolarHBondContact O-N 3.42Å; V64-R67 PolarHBondContact O-N 3.42Å; R67-N70 PolarHBondContact O-N 3.26Å; R67-V71 WeakPolarHBondContact O-CG2 3.33Å; R67-V71 PolarHBondContact O-N 3.17Å |
| 68 | W | 50.7 | Low | 55.2 | Low | 176 Ų | 176 | 120.2 Ų | 120.2 | 67% | 0.667 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.9 | -38.8 | 177.3 | -69.6 | 109.2 | 0 | 0 | 0 | 112.8 | V64 E65 Q66 N70 V71 T72 | V64-W68 PolarHBondContact O-N 3.29Å; E65-W68 PolarHBondContact O-N 3.39Å; Q66-W68 VanDerWaalsContact C-N 3.32Å; Q66-W68 PolarHBondContact O-N 3.33Å; W68-N70 VanDerWaalsContact C-N 3.3Å; W68-N70 PolarHBondContact O-N 3.26Å; W68-V71 PolarHBondContact O-N 3.04Å; W68-V71 VanDerWaalsContact O-N 3.14Å; W68-T72 PolarHBondContact O-N 3.36Å; W68-T72 VanDerWaalsContact O-N 3.14Å; W68-T72 PolarHBondContact O-OG1 3.07Å |
| 69 | Q | 53.9 | Low | 55.8 | Low | 133 Ų | 133 | 119.9 Ų | 119.9 | 62% | 0.621 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62.3 | -36.1 | 176.1 | -74.4 | -173.7 | 0.3 | 0 | 0 | 112.9 | E65 Q66 T72 | E65-Q69 PolarHBondContact O-N 3.1Å; Q66-Q69 PolarHBondContact O-N 3.43Å; Q69-T72 WeakPolarHBondContact CA-OG1 3.44Å; Q69-T72 PolarHBondContact O-N 2.87Å; Q69-T72 PolarHBondContact O-OG1 3.04Å |
| 70 | N | 53.8 | Low | 56.3 | Low | 121 Ų | 121 | 117.9 Ų | 117.9 | 65% | 0.647 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -70.5 | -32.7 | 175 | -81.3 | -17.4 | 0 | 0 | 0 | 112.6 | Q66 R67 W68 T72 N73 | Q66-N70 PolarHBondContact O-N 3.12Å; R67-N70 PolarHBondContact O-N 3.26Å; W68-N70 VanDerWaalsContact C-N 3.3Å; W68-N70 PolarHBondContact O-N 3.26Å; N70-T72 VanDerWaalsContact C-N 3.33Å; N70-T72 PolarHBondContact O-N 3.25Å; N70-N73 PolarHBondContact O-N 3.19Å; N70-N73 VanDerWaalsContact O-N 3.13Å |
| 71 | V | 54.6 | Low | 57.1 | Low | 73 Ų | 73 | 116.2 Ų | 116.2 | 44% | 0.442 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.6 | -36.6 | 174.8 | 177.7 | 0 | 0 | 0 | 0 | 111 | R67 W68 N73 L74 | R67-V71 WeakPolarHBondContact O-CG2 3.33Å; R67-V71 PolarHBondContact O-N 3.17Å; W68-V71 PolarHBondContact O-N 3.04Å; W68-V71 VanDerWaalsContact O-N 3.14Å; V71-N73 PolarHBondContact O-N 3.43Å; V71-L74 HydrophobicContact CB-CD1 4.39Å; V71-L74 HydrophobicContact CG1-CD1 4Å; V71-L74 WeakPolarHBondContact O-CB 3.33Å; V71-L74 WeakPolarHBondContact O-CG 3.36Å; V71-L74 PolarHBondContact O-N 2.99Å; V71-L74 VanDerWaalsContact O-N 3.12Å |
| 72 | T | 55.1 | Low | 57.9 | Low | 124 Ų | 124 | 117.1 Ų | 117.1 | 76% | 0.761 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -14 | 173.8 | 35.2 | 0 | 0 | 0 | 0 | 114.5 | W68 Q69 N70 | W68-T72 PolarHBondContact O-N 3.36Å; W68-T72 VanDerWaalsContact O-N 3.14Å; W68-T72 PolarHBondContact O-OG1 3.07Å; Q69-T72 WeakPolarHBondContact CA-OG1 3.44Å; Q69-T72 PolarHBondContact O-N 2.87Å; Q69-T72 PolarHBondContact O-OG1 3.04Å; N70-T72 VanDerWaalsContact C-N 3.33Å; N70-T72 PolarHBondContact O-N 3.25Å |
| 73 | N | 54.3 | Low | 58.6 | Low | 112 Ų | 112 | 120 Ų | 120 | 60% | 0.599 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | 10.1 | 174.1 | -120.1 | -55.2 | 0 | 0 | 0 | 113.5 | N70 V71 R75 | N70-N73 PolarHBondContact O-N 3.19Å; N70-N73 VanDerWaalsContact O-N 3.13Å; V71-N73 PolarHBondContact O-N 3.43Å; N73-R75 PolarHBondContact O-N 3.27Å |
| 74 | L | 56.2 | Low | 59.2 | Low | 84 Ų | 84 | 117.6 Ų | 117.6 | 44% | 0.44 | 59% | 0.589 | S | S | . | * | trans | -72.7 | 78.7 | 169.9 | -69.8 | 167.8 | 0 | 0 | 0 | 109.2 | V71 Q76 F77 | V71-L74 HydrophobicContact CB-CD1 4.39Å; V71-L74 HydrophobicContact CG1-CD1 4Å; V71-L74 WeakPolarHBondContact O-CB 3.33Å; V71-L74 WeakPolarHBondContact O-CG 3.36Å; V71-L74 PolarHBondContact O-N 2.99Å; V71-L74 VanDerWaalsContact O-N 3.12Å; L74-Q76 PolarHBondContact O-N 2.94Å; L74-F77 HydrophobicContact CB-CE2 4.1Å; L74-F77 HydrophobicContact CB-CZ 4.08Å; L74-F77 HydrophobicContact CD1-CE1 4.48Å; L74-F77 HydrophobicContact CD1-CZ 4.43Å; L74-F77 VanDerWaalsContact O-CE2 3.3Å; L74-F77 WeakPolarHBondContact O-CE2 3.44Å | ||
| 75 | R | 55.5 | Low | 60.3 | Low | 172 Ų | 172 | 125.5 Ų | 125.5 | 65% | 0.649 | 61% | 0.608 | S | S | * | * | trans | -65.5 | -18.3 | 173.5 | -70.7 | -172.3 | -177.6 | -133.6 | 0.4 | 112.9 | N73 E91 F92 | N73-R75 PolarHBondContact O-N 3.27Å; R75-E91 WeakPolarHBondContact O-CA 3.41Å; R75-F92 PolarHBondContact O-N 3.46Å; R75-F92 VanDerWaalsContact O-N 3.14Å | ||
| 76 | Q | 61.5 | Low | 61.1 | Low | 83 Ų | 83 | 124.5 Ų | 124.5 | 39% | 0.388 | 60% | 0.603 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.7 | 108.6 | -175.3 | -165.4 | 170.6 | 36.6 | 0 | 0 | 109 | L74 E91 | L74-Q76 PolarHBondContact O-N 2.94Å; Q76-E91 HydrophobicContact CG-CG 4.22Å |
| 77 | F | 63.4 | Low | 62.3 | Low | 104 Ų | 104 | 121.1 Ų | 121.1 | 46% | 0.456 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.2 | 122 | 168.1 | -77.2 | -92.1 | 0 | 0 | 0 | 108.1 | L74 S79 V90 F92 | L74-F77 HydrophobicContact CB-CE2 4.1Å; L74-F77 HydrophobicContact CB-CZ 4.08Å; L74-F77 HydrophobicContact CD1-CE1 4.48Å; L74-F77 HydrophobicContact CD1-CZ 4.43Å; L74-F77 VanDerWaalsContact O-CE2 3.3Å; L74-F77 WeakPolarHBondContact O-CE2 3.44Å; F77-S79 PolarHBondContact O-N 3.38Å; F77-V90 PolarHBondContact N-O 2.92Å; F77-V90 VanDerWaalsContact N-O 3.13Å; F77-V90 PolarHBondContact O-N 2.94Å; F77-F92 HydrophobicContact CD2-CD2 4.07Å; F77-F92 AromaticContact CD2-CE2 3.7Å; F77-F92 HydrophobicContact CD2-CE2 3.7Å; F77-F92 HydrophobicContact CE2-CE2 4.37Å; F77-F92 HydrophobicContact CG-CE2 4.47Å |
| 78 | H | 65.4 | Low | 63.5 | Low | 116 Ų | 116 | 115.2 Ų | 115.2 | 54% | 0.537 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88 | 106.9 | 168.7 | -64.3 | -69 | 0 | 0 | 0 | 108.2 | S89 | H78-S89 PolarHBondContact CE1-OG 3.16Å; H78-S89 PolarHBondContact ND1-OG 3.19Å |
| 79 | S | 69.5 | Low | 64.7 | Low | 60 Ų | 60 | 109.8 Ų | 109.8 | 42% | 0.42 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.8 | 108.7 | 168.5 | 67.4 | 0 | 0 | 0 | 0 | 108.5 | F77 D88 | F77-S79 PolarHBondContact O-N 3.38Å; S79-D88 PolarHBondContact N-O 2.87Å; S79-D88 PolarHBondContact O-N 2.91Å |
| 80 | C | 68.4 | Low | 65.3 | Low | 74 Ų | 74 | 106.5 Ų | 106.5 | 50% | 0.5 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.3 | 124 | 169.4 | -58.8 | 0 | 0 | 0 | 0 | 108.4 | C87 | C80-C87 HydrophobicContact CB-CB 4.08Å; C80-C87 WeakPolarHBondContact CB-SG 3.35Å; C80-C87 WeakPolarHBondContact SG-CB 3.37Å; C80-C87 CovalentContact SG-SG 2.05Å; C80-C87 PolarHBondContact SG-SG 3.46Å |
| 81 | Q | 69.9 | Low | 66.2 | Low | 120 Ų | 120 | 107.2 Ų | 107.2 | 56% | 0.561 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 131.3 | 175 | -70.6 | -161.4 | -17.3 | 0 | 0 | 109.5 | N83 T84 | Q81-N83 PolarHBondContact O-N 3.36Å; Q81-T84 PolarHBondContact O-N 2.88Å |
| 82 | P | 66.9 | Low | 66.7 | Low | 115 Ų | 115 | 109.5 Ų | 109.5 | 75% | 0.747 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | 126 | 175.7 | 24.2 | -30.6 | 0 | 0 | 0 | 108.9 | ||
| 83 | N | 70.4 | Confident | 67.2 | Low | 172 Ų | 172 | 110.3 Ų | 110.3 | 92% | 0.92 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.2 | 4.2 | -180 | -47.6 | -49.6 | 0 | 0 | 0 | 117.8 | Q81 | Q81-N83 PolarHBondContact O-N 3.36Š|
| 84 | T | 66.4 | Low | 67.3 | Low | 69 Ų | 69 | 112 Ų | 112 | 42% | 0.423 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -116.8 | 144 | 165.6 | 67.6 | 0 | 0 | 0 | 0 | 109.2 | Q81 H86 | Q81-T84 PolarHBondContact O-N 2.88Å; T84-H86 PolarHBondContact O-N 2.86Å |
| 85 | R | 75.7 | Confident | 67.4 | Low | 264 Ų | 264 | 116.7 Ų | 116.7 | 100% | 0.996 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -75.8 | 24 | 168.8 | -72 | -169.1 | -177 | -172.2 | 1.5 | 111.6 | ||
| 86 | H | 70 | Confident | 67.2 | Low | 116 Ų | 116 | 118.6 Ų | 118.6 | 54% | 0.537 | 62% | 0.617 | S | S | . | * | trans | -110.4 | 124.4 | -176.7 | -162 | 62.4 | 0 | 0 | 0 | 108.6 | T84 D88 | T84-H86 PolarHBondContact O-N 2.86Å; H86-D88 IonicContact CD2-OD1 3.51Å; H86-D88 IonicContact CD2-OD2 3.87Å; H86-D88 IonicContact NE2-OD1 3.18Å; H86-D88 PolarHBondContact NE2-OD1 3.12Å | ||
| 87 | C | 75.9 | Confident | 67.5 | Low | 62 Ų | 62 | 120.4 Ų | 120.4 | 42% | 0.419 | 63% | 0.628 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119 | 119 | 175.5 | -61.4 | 0 | 0 | 0 | 0 | 107.1 | C80 | C80-C87 HydrophobicContact CB-CB 4.08Å; C80-C87 WeakPolarHBondContact CB-SG 3.35Å; C80-C87 WeakPolarHBondContact SG-CB 3.37Å; C80-C87 CovalentContact SG-SG 2.05Å; C80-C87 PolarHBondContact SG-SG 3.46Å |
| 88 | D | 75.4 | Confident | 67.7 | Low | 70 Ų | 70 | 121.2 Ų | 121.2 | 37% | 0.374 | 64% | 0.637 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.8 | 135.3 | 173.3 | -67.5 | -52.8 | 0 | 0 | 0 | 108.4 | S79 H86 | S79-D88 PolarHBondContact N-O 2.87Å; S79-D88 PolarHBondContact O-N 2.91Å; H86-D88 IonicContact CD2-OD1 3.51Å; H86-D88 IonicContact CD2-OD2 3.87Å; H86-D88 IonicContact NE2-OD1 3.18Å; H86-D88 PolarHBondContact NE2-OD1 3.12Å |
| 89 | S | 75.7 | Confident | 67.9 | Low | 62 Ų | 62 | 121.5 Ų | 121.5 | 43% | 0.434 | 64% | 0.643 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.2 | 112.9 | 172 | -52.1 | 0 | 0 | 0 | 0 | 106.9 | H78 | H78-S89 PolarHBondContact CE1-OG 3.16Å; H78-S89 PolarHBondContact ND1-OG 3.19Å |
| 90 | V | 67.8 | Low | 67.8 | Low | 64 Ų | 64 | 125.1 Ų | 125.1 | 39% | 0.388 | 66% | 0.656 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.1 | 107.9 | 172.5 | -175.2 | 0 | 0 | 0 | 0 | 106.8 | F77 F92 | F77-V90 PolarHBondContact N-O 2.92Å; F77-V90 VanDerWaalsContact N-O 3.13Å; F77-V90 PolarHBondContact O-N 2.94Å; V90-F92 HydrophobicContact CB-CE2 4.43Å; V90-F92 HydrophobicContact CG1-CD2 4.26Å; V90-F92 HydrophobicContact CG1-CE2 3.89Å; V90-F92 HydrophobicContact CG1-CZ 4.05Å |
| 91 | E | 71.3 | Confident | 67.7 | Low | 135 Ų | 135 | 128.3 Ų | 128.3 | 63% | 0.631 | 67% | 0.666 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.5 | 123.5 | 166.4 | -66.8 | -172.6 | 119.4 | 0 | 0 | 108 | R75 Q76 D93 | R75-E91 WeakPolarHBondContact O-CA 3.41Å; Q76-E91 HydrophobicContact CG-CG 4.22Å; E91-D93 PolarHBondContact O-N 2.92Å |
| 92 | F | 65.4 | Low | 67.6 | Low | 122 Ų | 122 | 128.9 Ų | 128.9 | 54% | 0.535 | 67% | 0.673 | S | S | . | * | trans | -88 | 102.8 | 172.2 | -71.7 | -90.5 | 0 | 0 | 0 | 108.4 | R75 F77 V90 N94 | R75-F92 PolarHBondContact O-N 3.46Å; R75-F92 VanDerWaalsContact O-N 3.14Å; F77-F92 HydrophobicContact CD2-CD2 4.07Å; F77-F92 AromaticContact CD2-CE2 3.7Å; F77-F92 HydrophobicContact CD2-CE2 3.7Å; F77-F92 HydrophobicContact CE2-CE2 4.37Å; F77-F92 HydrophobicContact CG-CE2 4.47Å; V90-F92 HydrophobicContact CB-CE2 4.43Å; V90-F92 HydrophobicContact CG1-CD2 4.26Å; V90-F92 HydrophobicContact CG1-CE2 3.89Å; V90-F92 HydrophobicContact CG1-CZ 4.05Å; F92-N94 PolarHBondContact O-N 2.94Å | ||
| 93 | D | 65.9 | Low | 67.6 | Low | 140 Ų | 140 | 129.9 Ų | 129.9 | 75% | 0.749 | 67% | 0.668 | S | S | * | * | trans | -72.8 | 107.4 | 165.7 | -73.1 | -47.8 | 0 | 0 | 0 | 108.5 | E91 E95 | E91-D93 PolarHBondContact O-N 2.92Å; D93-E95 PolarHBondContact O-N 3.16Å | ||
| 94 | N | 57.2 | Low | 67.4 | Low | 148 Ų | 148 | 126.6 Ų | 126.6 | 79% | 0.791 | 65% | 0.648 | S | S | * | * | trans | -74.9 | 67.5 | 165.2 | -83.6 | -8.7 | 0 | 0 | 0 | 108.8 | F92 | F92-N94 PolarHBondContact O-N 2.94Š| ||
| 95 | E | 58 | Low | 67.5 | Low | 183 Ų | 183 | 131.4 Ų | 131.4 | 86% | 0.855 | 67% | 0.667 | S | S | * | * | trans | -84.3 | 130.3 | 157.2 | -81.1 | -162.3 | 110.1 | 0 | 0 | 108.9 | D93 | D93-E95 PolarHBondContact O-N 3.16Š| ||
| 96 | T | 51.7 | Low | 66.7 | Low | 211 Ų | 211 | 119.4 Ų | 119.4 | 100% | 1.294 | 64% | 0.637 | S | S | * | * | trans | -70.2 | 0 | -166.7 | -58.4 | 0 | 0 | 0 | 0 | 113.5 |
Retrieved 96 of 96 residues in 135.1 ms
(Link to these results)