| 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 | 37.3 | Very low | 37.9 | Very low | 243 Ų | 243 | 170.2 Ų | 170.2 | 100% | 1.197 | 87% | 0.871 | S | S | * | * | 0 | 137.1 | 0 | -76.8 | 171.4 | 163.6 | 0 | 0 | 107.4 | |||||
| 2 | A | 33.6 | Very low | 38.6 | Very low | 101 Ų | 101 | 159.3 Ų | 159.3 | 84% | 0.835 | 83% | 0.832 | S | S | * | * | trans | -82.7 | 140.3 | -159.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 3 | Y | 29.2 | Very low | 39.6 | Very low | 231 Ų | 231 | 158.5 Ų | 158.5 | 91% | 0.906 | 82% | 0.818 | S | S | * | * | trans | -82.1 | 141.9 | 160.5 | -80.1 | -104.6 | 0 | 0 | 0 | 108.9 | ||||
| 4 | I | 37.8 | Very low | 40.3 | Very low | 158 Ų | 158 | 156.1 Ų | 156.1 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | -105.1 | 117.3 | 169.5 | -64.2 | 176.5 | 0 | 0 | 0 | 107.6 | ||||
| 5 | Q | 31.4 | Very low | 40.8 | Very low | 185 Ų | 185 | 149.6 Ų | 149.6 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 139.1 | 168.8 | -87.2 | 168.6 | -84.7 | 0 | 0 | 110 | ||
| 6 | L | 36 | Very low | 41.4 | Very low | 170 Ų | 170 | 152.3 Ų | 152.3 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 123 | 162.1 | -72.4 | 165.7 | 0 | 0 | 0 | 108 | ||
| 7 | E | 36.3 | Very low | 42.1 | Very low | 183 Ų | 183 | 148.5 Ų | 148.5 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 145.5 | 171.8 | -69.3 | -173.9 | 140 | 0 | 0 | 111 | ||
| 8 | P | 40.4 | Very low | 42.4 | Very low | 123 Ų | 123 | 143.1 Ų | 143.1 | 80% | 0.799 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 136.3 | 174.9 | 30.2 | -33.3 | 0 | 0 | 0 | 111.3 | N10 | P8-N10 PolarHBondContact O-N 3.46Š|
| 9 | L | 43 | Very low | 42.6 | Very low | 174 Ų | 174 | 141.3 Ų | 141.3 | 91% | 0.911 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 131.8 | 173.2 | -86.6 | 160.4 | 0 | 0 | 0 | 110.9 | E11 | L9-E11 PolarHBondContact O-N 3.35Š|
| 10 | N | 46.5 | Very low | 42.9 | Very low | 134 Ų | 134 | 140.5 Ų | 140.5 | 72% | 0.717 | 72% | 0.724 | S | S | * | * | trans | -69.2 | 114.2 | -167.6 | -150 | -19.1 | 0 | 0 | 0 | 112 | P8 G12 F13 | P8-N10 PolarHBondContact O-N 3.46Å; N10-G12 PolarHBondContact O-N 3.18Å; N10-G12 VanDerWaalsContact O-N 3.08Å; N10-F13 PolarHBondContact O-N 3.31Å | ||
| 11 | E | 45.9 | Very low | 43.2 | Very low | 170 Ų | 170 | 141 Ų | 141 | 79% | 0.794 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -57.4 | -28.5 | -173.8 | -67.2 | -173.4 | 136.6 | 0 | 0 | 113.5 | L9 F13 L14 | L9-E11 PolarHBondContact O-N 3.35Å; E11-F13 PolarHBondContact O-N 3.24Å; E11-L14 PolarHBondContact O-N 3.05Å |
| 12 | G | 45.9 | Very low | 43.7 | Very low | 39 Ų | 39 | 135.8 Ų | 135.8 | 40% | 0.402 | 70% | 0.703 | S | S | . | * | H | α-helix | trans | -66.5 | -11.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | N10 S15 | N10-G12 PolarHBondContact O-N 3.18Å; N10-G12 VanDerWaalsContact O-N 3.08Å; G12-S15 PolarHBondContact O-OG 3.08Å |
| 13 | F | 50.9 | Low | 44.3 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 66% | 0.658 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -84.8 | -31.5 | 174.5 | -163.5 | -97.9 | 0 | 0 | 0 | 112.4 | N10 E11 L17 | N10-F13 PolarHBondContact O-N 3.31Å; E11-F13 PolarHBondContact O-N 3.24Å; F13-L17 HydrophobicContact CD1-CD1 4.04Å; F13-L17 HydrophobicContact CE1-CD1 3.87Å |
| 14 | L | 49.4 | Very low | 45.2 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 65% | 0.654 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -77.6 | -36.2 | -179.2 | -67.7 | 174.6 | 0 | 0 | 0 | 112.3 | E11 R16 L17 S18 | E11-L14 PolarHBondContact O-N 3.05Å; L14-R16 VanDerWaalsContact C-N 3.33Å; L14-R16 PolarHBondContact O-N 2.83Å; L14-L17 PolarHBondContact O-N 3.32Å; L14-L17 VanDerWaalsContact O-N 3.14Å; L14-S18 PolarHBondContact O-N 3.22Å; L14-S18 VanDerWaalsContact O-N 3.1Å |
| 15 | S | 48.4 | Very low | 45.8 | Very low | 58 Ų | 58 | 137.1 Ų | 137.1 | 41% | 0.406 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -62.5 | -38.2 | 174.7 | 56.4 | 0 | 0 | 0 | 0 | 112.8 | G12 L17 S18 D19 | G12-S15 PolarHBondContact O-OG 3.08Å; S15-L17 PolarHBondContact O-N 3.33Å; S15-S18 WeakPolarHBondContact CA-OG 3.49Å; S15-S18 PolarHBondContact O-N 3Å; S15-S18 PolarHBondContact O-OG 3.45Å; S15-D19 PolarHBondContact O-N 3.24Å |
| 16 | R | 50.4 | Low | 46.5 | Very low | 193 Ų | 193 | 135.7 Ų | 135.7 | 73% | 0.728 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -67.1 | -23.7 | 175.3 | -70.3 | -178.2 | 174.2 | -166 | -1.7 | 113.5 | L14 | L14-R16 VanDerWaalsContact C-N 3.33Å; L14-R16 PolarHBondContact O-N 2.83Å |
| 17 | L | 53 | Low | 47.2 | Very low | 87 Ų | 87 | 130.9 Ų | 130.9 | 46% | 0.455 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -82.1 | -35 | 173.7 | -80.5 | 163.7 | 0 | 0 | 0 | 112.3 | F13 L14 S15 L21 | F13-L17 HydrophobicContact CD1-CD1 4.04Å; F13-L17 HydrophobicContact CE1-CD1 3.87Å; L14-L17 PolarHBondContact O-N 3.32Å; L14-L17 VanDerWaalsContact O-N 3.14Å; S15-L17 PolarHBondContact O-N 3.33Å; L17-L21 WeakPolarHBondContact O-CG 3.37Å; L17-L21 PolarHBondContact O-N 3.22Å |
| 18 | S | 47.5 | Very low | 47.7 | Very low | 51 Ų | 51 | 133.5 Ų | 133.5 | 36% | 0.357 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -65 | -42.8 | 176.2 | 52.3 | 0 | 0 | 0 | 0 | 112.4 | L14 S15 L20 L21 L22 | L14-S18 PolarHBondContact O-N 3.22Å; L14-S18 VanDerWaalsContact O-N 3.1Å; S15-S18 WeakPolarHBondContact CA-OG 3.49Å; S15-S18 PolarHBondContact O-N 3Å; S15-S18 PolarHBondContact O-OG 3.45Å; S18-L20 VanDerWaalsContact C-N 3.29Å; S18-L20 PolarHBondContact O-N 3.29Å; S18-L21 PolarHBondContact O-N 3.28Å; S18-L22 PolarHBondContact O-N 3.1Å |
| 19 | D | 47.4 | Very low | 48 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 58% | 0.583 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -68.4 | -31.1 | -176.9 | -64.2 | -15.6 | 0 | 0 | 0 | 112.2 | S15 L22 C23 | S15-D19 PolarHBondContact O-N 3.24Å; D19-L22 PolarHBondContact O-N 3.33Å; D19-C23 PolarHBondContact O-N 3.17Å |
| 20 | L | 48.5 | Very low | 48.5 | Very low | 125 Ų | 125 | 128.1 Ų | 128.1 | 65% | 0.654 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -74.5 | -29 | 176.7 | -145.1 | 147.9 | 0 | 0 | 0 | 112 | S18 | S18-L20 VanDerWaalsContact C-N 3.29Å; S18-L20 PolarHBondContact O-N 3.29Å |
| 21 | L | 49.2 | Very low | 48.8 | Very low | 151 Ų | 151 | 125.6 Ų | 125.6 | 79% | 0.791 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -81.4 | -23.8 | 174.1 | -70.4 | 169.4 | 0 | 0 | 0 | 113.4 | L17 S18 | L17-L21 WeakPolarHBondContact O-CG 3.37Å; L17-L21 PolarHBondContact O-N 3.22Å; S18-L21 PolarHBondContact O-N 3.28Å |
| 22 | L | 46.8 | Very low | 48.9 | Very low | 134 Ų | 134 | 123.2 Ų | 123.2 | 70% | 0.702 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -81.5 | -17.6 | 174.5 | -81.7 | 156.1 | 0 | 0 | 0 | 113.4 | S18 D19 R24 | S18-L22 PolarHBondContact O-N 3.1Å; D19-L22 PolarHBondContact O-N 3.33Å; L22-R24 PolarHBondContact O-N 3.16Å |
| 23 | C | 46.6 | Very low | 49 | Very low | 83 Ų | 83 | 128.3 Ų | 128.3 | 56% | 0.561 | 63% | 0.629 | S | S | * | * | trans | -77.7 | 87.4 | 179.1 | -159.6 | 0 | 0 | 0 | 0 | 112.3 | D19 W25 | D19-C23 PolarHBondContact O-N 3.17Å; C23-W25 PolarHBondContact O-N 3.28Å | ||
| 24 | R | 48.9 | Very low | 49.1 | Very low | 236 Ų | 236 | 125.4 Ų | 125.4 | 89% | 0.891 | 63% | 0.626 | S | S | * | * | trans | -76 | 31.8 | -168.3 | -131.7 | 179.8 | -172.2 | -160 | 1.4 | 116.2 | L22 | L22-R24 PolarHBondContact O-N 3.16Š| ||
| 25 | W | 50.3 | Low | 49 | Very low | 200 Ų | 200 | 129.2 Ų | 129.2 | 76% | 0.758 | 63% | 0.633 | S | S | * | * | trans | -116.4 | 106.3 | -170 | -79.2 | 37.7 | 0 | 0 | 0 | 112.5 | C23 C27 | C23-W25 PolarHBondContact O-N 3.28Å; W25-C27 VanDerWaalsContact C-N 3.3Å; W25-C27 PolarHBondContact O-N 3.13Å | ||
| 26 | T | 44.3 | Very low | 48.9 | Very low | 154 Ų | 154 | 132.7 Ų | 132.7 | 95% | 0.945 | 64% | 0.643 | S | S | * | * | trans | -81.9 | 58.7 | -173.6 | 54.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 27 | C | 51.5 | Low | 48.7 | Very low | 69 Ų | 69 | 126.8 Ų | 126.8 | 47% | 0.466 | 63% | 0.631 | S | S | . | * | trans | -142.2 | 124.1 | 172 | -176.8 | 0 | 0 | 0 | 0 | 112.1 | W25 H29 C30 | W25-C27 VanDerWaalsContact C-N 3.3Å; W25-C27 PolarHBondContact O-N 3.13Å; C27-H29 PolarHBondContact O-N 3.37Å; C27-H29 VanDerWaalsContact O-N 3.11Å; C27-C30 PolarHBondContact O-N 3.14Å | ||
| 28 | R | 47.1 | Very low | 48.1 | Very low | 238 Ų | 238 | 127.6 Ų | 127.6 | 90% | 0.898 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -55 | -31 | 178.5 | -78 | -170.3 | 175.9 | -155.7 | -0 | 113.2 | C30 C31 | R28-C30 VanDerWaalsContact C-N 3.32Å; R28-C30 PolarHBondContact O-N 3.01Å; R28-C31 PolarHBondContact O-N 3.08Å |
| 29 | H | 47.2 | Very low | 47.7 | Very low | 137 Ų | 137 | 130.9 Ų | 130.9 | 63% | 0.634 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -72.6 | -22.1 | -175.2 | -145 | 70.4 | 0 | 0 | 0 | 113.6 | C27 | C27-H29 PolarHBondContact O-N 3.37Å; C27-H29 VanDerWaalsContact O-N 3.11Å |
| 30 | C | 53.1 | Low | 47.2 | Very low | 48 Ų | 48 | 131.3 Ų | 131.3 | 32% | 0.324 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -79.6 | -36.6 | 174.3 | -66 | 0 | 0 | 0 | 0 | 112 | C27 R28 Q32 K33 C34 | C27-C30 PolarHBondContact O-N 3.14Å; R28-C30 VanDerWaalsContact C-N 3.32Å; R28-C30 PolarHBondContact O-N 3.01Å; C30-Q32 VanDerWaalsContact C-N 3.33Å; C30-Q32 PolarHBondContact O-N 3.41Å; C30-K33 PolarHBondContact O-N 3.43Å; C30-C34 PolarHBondContact O-N 3.19Å; C30-C34 VanDerWaalsContact O-N 3.16Å |
| 31 | C | 52.4 | Low | 46.4 | Very low | 80 Ų | 80 | 133.9 Ų | 133.9 | 54% | 0.541 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -62.3 | -40.1 | -178.8 | -165.9 | 0 | 0 | 0 | 0 | 112.1 | R28 C34 Y35 | R28-C31 PolarHBondContact O-N 3.08Å; C31-C34 PolarHBondContact O-N 3.34Å; C31-Y35 PolarHBondContact O-N 3.5Å; C31-Y35 VanDerWaalsContact O-N 3.13Å |
| 32 | Q | 48 | Very low | 45.9 | Very low | 120 Ų | 120 | 132.7 Ų | 132.7 | 56% | 0.561 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -66.7 | -39.2 | 179.1 | -168.8 | 166.9 | -9.5 | 0 | 0 | 112.8 | C30 Y35 E36 | C30-Q32 VanDerWaalsContact C-N 3.33Å; C30-Q32 PolarHBondContact O-N 3.41Å; Q32-Y35 PolarHBondContact O-N 3.25Å; Q32-E36 PolarHBondContact O-N 3.31Å |
| 33 | K | 48.7 | Very low | 45.2 | Very low | 147 Ų | 147 | 131 Ų | 131 | 64% | 0.639 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -65.9 | -42 | 174.7 | -84.4 | -173.2 | 171.4 | -177.4 | 0 | 113 | C30 Y35 E36 S37 | C30-K33 PolarHBondContact O-N 3.43Å; K33-Y35 PolarHBondContact O-N 3.39Å; K33-E36 PolarHBondContact O-N 3.5Å; K33-S37 PolarHBondContact O-N 3.16Å; K33-S37 VanDerWaalsContact O-N 3.16Å; K33-S37 PolarHBondContact O-OG 3.41Å |
| 34 | C | 51.7 | Low | 44.8 | Very low | 89 Ų | 89 | 136.4 Ų | 136.4 | 60% | 0.601 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -66.2 | -23.7 | 176.1 | -66.2 | 0 | 0 | 0 | 0 | 113.1 | C30 C31 | C30-C34 PolarHBondContact O-N 3.19Å; C30-C34 VanDerWaalsContact O-N 3.16Å; C31-C34 PolarHBondContact O-N 3.34Å |
| 35 | Y | 47.5 | Very low | 44 | Very low | 205 Ų | 205 | 132.5 Ų | 132.5 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -77.9 | -32.9 | 175.6 | -169 | -98.6 | 0 | 0 | 0 | 112.7 | C31 Q32 K33 | C31-Y35 PolarHBondContact O-N 3.5Å; C31-Y35 VanDerWaalsContact O-N 3.13Å; Q32-Y35 PolarHBondContact O-N 3.25Å; K33-Y35 PolarHBondContact O-N 3.39Å |
| 36 | E | 47.5 | Very low | 43.2 | Very low | 131 Ų | 131 | 132.2 Ų | 132.2 | 61% | 0.612 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -81.5 | -31.1 | -180 | -71.6 | 169.2 | -175 | 0 | 0 | 112.8 | Q32 K33 S38 | Q32-E36 PolarHBondContact O-N 3.31Å; K33-E36 PolarHBondContact O-N 3.5Å; E36-S38 PolarHBondContact O-N 3.14Å |
| 37 | S | 46.2 | Very low | 42.7 | Very low | 68 Ų | 68 | 131.7 Ų | 131.7 | 48% | 0.476 | 71% | 0.706 | S | S | . | * | S | Bend | trans | -83.3 | 92.4 | 175.3 | 59.8 | 0 | 0 | 0 | 0 | 112.2 | K33 C39 | K33-S37 PolarHBondContact O-N 3.16Å; K33-S37 VanDerWaalsContact O-N 3.16Å; K33-S37 PolarHBondContact O-OG 3.41Å; S37-C39 PolarHBondContact O-N 3.11Å |
| 38 | S | 40.6 | Very low | 41.8 | Very low | 104 Ų | 104 | 137.4 Ų | 137.4 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | trans | -68.2 | 92 | 179.9 | -67.7 | 0 | 0 | 0 | 0 | 113.2 | E36 C40 | E36-S38 PolarHBondContact O-N 3.14Å; S38-C40 VanDerWaalsContact C-N 3.26Å; S38-C40 PolarHBondContact O-N 3.41Å | ||
| 39 | C | 37.6 | Very low | 41.2 | Very low | 120 Ų | 120 | 134 Ų | 134 | 81% | 0.811 | 72% | 0.723 | S | S | * | * | trans | -81.3 | 11 | 177.1 | -70.3 | 0 | 0 | 0 | 0 | 115.5 | S37 | S37-C39 PolarHBondContact O-N 3.11Š| ||
| 40 | C | 37.8 | Very low | 40.6 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | trans | -136.8 | 85.8 | -179.6 | -59.9 | 0 | 0 | 0 | 0 | 111.5 | S38 | S38-C40 VanDerWaalsContact C-N 3.26Å; S38-C40 PolarHBondContact O-N 3.41Å | ||
| 41 | Q | 30.8 | Very low | 39.6 | Very low | 179 Ų | 179 | 136.5 Ų | 136.5 | 84% | 0.836 | 75% | 0.753 | S | S | * | * | trans | -121.8 | 125.7 | 154.3 | -79.3 | -170.6 | -17.8 | 0 | 0 | 109 | ||||
| 42 | S | 38.9 | Very low | 39.3 | Very low | 126 Ų | 126 | 138 Ų | 138 | 88% | 0.881 | 76% | 0.762 | S | S | * | * | trans | -92.2 | 114.8 | 169.3 | 51.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 43 | S | 31.5 | Very low | 38.5 | Very low | 100 Ų | 100 | 141.6 Ų | 141.6 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | -134 | 110 | 166.1 | 55.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 44 | E | 38.4 | Very low | 38.2 | Very low | 195 Ų | 195 | 140 Ų | 140 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | trans | -67.1 | 122.9 | 158.8 | -62.7 | 171.7 | 120.4 | 0 | 0 | 107.1 | ||||
| 45 | D | 33.2 | Very low | 37.5 | Very low | 154 Ų | 154 | 139.9 Ų | 139.9 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | -153.3 | 133.1 | 160.7 | -97.6 | -39.6 | 0 | 0 | 0 | 108.2 | ||||
| 46 | E | 33.4 | Very low | 36.8 | Very low | 194 Ų | 194 | 139.1 Ų | 139.1 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | trans | -73.4 | 144.6 | -177.6 | -61.3 | -179.6 | 124.1 | 0 | 0 | 111.5 | ||||
| 47 | V | 34.3 | Very low | 36.5 | Very low | 143 Ų | 143 | 138.3 Ų | 138.3 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | trans | -134 | 130.7 | 164.9 | -174 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 48 | E | 31 | Very low | 36.3 | Very low | 190 Ų | 190 | 138.9 Ų | 138.9 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -68.4 | 155.7 | -166.3 | -62.7 | 175.6 | 117.9 | 0 | 0 | 115.3 | ||||
| 49 | I | 36 | Very low | 36.1 | Very low | 165 Ų | 165 | 140.3 Ų | 140.3 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -82.4 | 122.4 | 175.4 | -60.4 | 169.2 | 0 | 0 | 0 | 110.2 | ||||
| 50 | L | 33.6 | Very low | 36.6 | Very low | 173 Ų | 173 | 144.7 Ų | 144.7 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | trans | -132.6 | 137.2 | 156.8 | -75.3 | 177.6 | 0 | 0 | 0 | 111.6 | ||||
| 51 | G | 32 | Very low | 36.7 | Very low | 66 Ų | 66 | 144.8 Ų | 144.8 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | trans | -87.6 | -156.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 52 | P | 45.7 | Very low | 37 | Very low | 111 Ų | 111 | 144.6 Ų | 144.6 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | -125.9 | 165.7 | -105.6 | 40.3 | -30.2 | 0 | 0 | 0 | 116.6 | |||||
| 53 | F | 31.3 | Very low | 36.8 | Very low | 195 Ų | 195 | 143.7 Ų | 143.7 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | 71 | 161.7 | 164.3 | -73.6 | -64.8 | 0 | 0 | 0 | 117.2 | ||||
| 54 | P | 42.9 | Very low | 36.9 | Very low | 115 Ų | 115 | 144 Ų | 144 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | cis | -126.2 | 163.9 | 14 | 39.8 | -23.8 | 0 | 0 | 0 | 117.8 | ||||
| 55 | A | 36.4 | Very low | 36.6 | Very low | 85 Ų | 85 | 146.1 Ų | 146.1 | 70% | 0.702 | 80% | 0.797 | S | S | * | * | trans | -73.6 | 151.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 56 | Q | 34.6 | Very low | 36.5 | Very low | 190 Ų | 190 | 143.8 Ų | 143.8 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | -116.2 | 129.1 | 168.1 | -65.6 | -159.9 | 13.7 | 0 | 0 | 111.4 | ||||
| 57 | T | 41.2 | Very low | 36.4 | Very low | 113 Ų | 113 | 139.2 Ų | 139.2 | 69% | 0.693 | 78% | 0.782 | S | S | * | * | trans | -99 | 131.1 | 177.1 | -46.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 58 | P | 40.3 | Very low | 36.2 | Very low | 81 Ų | 81 | 139.8 Ų | 139.8 | 53% | 0.526 | 78% | 0.78 | S | S | . | * | trans | -64.7 | 151.4 | -176.2 | -25.4 | 35.5 | 0 | 0 | 0 | 115 | W60 | P58-W60 VanDerWaalsContact C-N 3.33Å; P58-W60 PolarHBondContact O-N 3.39Å; P58-W60 VanDerWaalsContact O-N 3.08Å | ||
| 59 | P | 37.1 | Very low | 36.3 | Very low | 133 Ų | 133 | 138.7 Ų | 138.7 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 6.2 | -157.8 | -17.3 | 33.9 | 0 | 0 | 0 | 117.5 | ||
| 60 | W | 48.7 | Very low | 36 | Very low | 213 Ų | 213 | 137.2 Ų | 137.2 | 81% | 0.807 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | 0.5 | -176.1 | 60.9 | -91.4 | 0 | 0 | 0 | 114.3 | P58 | P58-W60 VanDerWaalsContact C-N 3.33Å; P58-W60 PolarHBondContact O-N 3.39Å; P58-W60 VanDerWaalsContact O-N 3.08Å |
| 61 | L | 40.2 | Very low | 35.8 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 62% | 0.623 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -92.4 | 8.4 | -176 | -144.5 | 91.8 | 0 | 0 | 0 | 115 | ||
| 62 | M | 37.2 | Very low | 35.8 | Very low | 176 Ų | 176 | 136.9 Ų | 136.9 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | trans | -138.3 | 82.7 | -174.6 | -70.4 | -70.3 | -77.8 | 0 | 0 | 113.4 | ||||
| 63 | A | 33.9 | Very low | 35.3 | Very low | 106 Ų | 106 | 136.5 Ų | 136.5 | 88% | 0.876 | 77% | 0.767 | S | S | * | * | trans | -167.4 | 135 | 148.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 64 | S | 32.8 | Very low | 35.4 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | trans | -151 | 149.8 | 167.6 | 69.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 65 | R | 33.7 | Very low | 34.9 | Very low | 239 Ų | 239 | 135.1 Ų | 135.1 | 90% | 0.902 | 76% | 0.76 | S | S | * | * | trans | 72 | 146.2 | 177.3 | -62 | 178.2 | 168.7 | -176.4 | -4.9 | 115.4 | ||||
| 66 | S | 30.4 | Very low | 34.6 | Very low | 105 Ų | 105 | 137.4 Ų | 137.4 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | cis | -171 | -179.3 | -8.7 | 44.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 67 | S | 30.4 | Very low | 34.5 | Very low | 97 Ų | 97 | 132.5 Ų | 132.5 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | trans | 83.4 | 103 | 158.3 | 70.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 68 | D | 31.5 | Very low | 34.1 | Very low | 155 Ų | 155 | 131.6 Ų | 131.6 | 83% | 0.829 | 76% | 0.755 | S | S | * | * | 65.1 | 124.4 | 116.8 | -56.1 | -16.9 | 0 | 0 | 0 | 125.3 | |||||
| 69 | K | 32.6 | Very low | 33.6 | Very low | 167 Ų | 167 | 135.9 Ų | 135.9 | 73% | 0.726 | 77% | 0.768 | S | S | * | * | 98.9 | 135.2 | 125.3 | -100.3 | -179.3 | 147.8 | -72.9 | 0 | 123.9 | |||||
| 70 | D | 29.9 | Very low | 33.5 | Very low | 134 Ų | 134 | 135.2 Ų | 135.2 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | trans | 75 | 128.9 | 147.1 | -59.2 | -28.2 | 0 | 0 | 0 | 122.9 | ||||
| 71 | G | 29.2 | Very low | 33.5 | Very low | 70 Ų | 70 | 130.5 Ų | 130.5 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | 128.2 | 94 | 137.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 72 | D | 31.6 | Very low | 33.2 | Very low | 162 Ų | 162 | 132.8 Ų | 132.8 | 87% | 0.866 | 77% | 0.77 | S | S | * | * | trans | 18.4 | 151.7 | 134.5 | -60.8 | -20.2 | 0 | 0 | 0 | 121.2 | ||||
| 73 | S | 34.4 | Very low | 33.1 | Very low | 103 Ų | 103 | 130.6 Ų | 130.6 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | cis | -167.7 | 173.2 | 1.3 | 39.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 74 | V | 33.5 | Very low | 33.6 | Very low | 110 Ų | 110 | 131.7 Ų | 131.7 | 67% | 0.667 | 77% | 0.766 | S | S | * | * | 171.8 | 136.5 | 78.7 | 169 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 75 | H | 33.3 | Very low | 33.4 | Very low | 172 Ų | 172 | 137.6 Ų | 137.6 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | trans | 46.2 | 147.2 | 158.1 | -55.3 | -34.7 | 0 | 0 | 0 | 122 | ||||
| 76 | T | 30.9 | Very low | 33.1 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | cis | -151.8 | 148 | 37 | -48.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 77 | A | 31.8 | Very low | 32.9 | Very low | 88 Ų | 88 | 134 Ų | 134 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -28.2 | 162 | 164.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 78 | S | 32.6 | Very low | 32.9 | Very low | 93 Ų | 93 | 135 Ų | 135 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | cis | -170.9 | -179.7 | 3.4 | -122.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 79 | E | 29.1 | Very low | 33.8 | Very low | 171 Ų | 171 | 132.9 Ų | 132.9 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | cis | -155.7 | -173.6 | -0.2 | -140.3 | 145.5 | -91.4 | 0 | 0 | 111.1 | ||||
| 80 | V | 36.4 | Very low | 33.8 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -142 | 160.9 | 165.7 | -158.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 81 | P | 49 | Very low | 33.8 | Very low | 114 Ų | 114 | 129.9 Ų | 129.9 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | -146.4 | 131 | 113.3 | 27 | -6.8 | 0 | 0 | 0 | 114.3 | |||||
| 82 | L | 32.4 | Very low | 34 | Very low | 166 Ų | 166 | 137.6 Ų | 137.6 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | 77.9 | 143.7 | 92 | -66.9 | 171.5 | 0 | 0 | 0 | 117.2 | |||||
| 83 | T | 35.6 | Very low | 34.1 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | trans | -90.6 | 169.6 | -179.4 | 54.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 84 | P | 45.1 | Very low | 33.9 | Very low | 130 Ų | 130 | 141 Ų | 141 | 84% | 0.844 | 78% | 0.784 | S | S | * | * | -148.2 | -166.4 | 112.8 | 36.7 | -18.1 | 0 | 0 | 0 | 115.8 | |||||
| 85 | R | 28.6 | Very low | 34.1 | Very low | 231 Ų | 231 | 140.6 Ų | 140.6 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | trans | -97.2 | 168.9 | -159.6 | -63.6 | 166.9 | 154.6 | -176 | -7 | 116.3 | ||||
| 86 | T | 27.3 | Very low | 34.4 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 71% | 0.712 | 78% | 0.781 | S | S | * | * | trans | 115.6 | 143.4 | 136.7 | 68 | 0 | 0 | 0 | 0 | 121 | ||||
| 87 | N | 26.6 | Very low | 34.5 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | 85.1 | 124 | 152.7 | -62.5 | -13.8 | 0 | 0 | 0 | 122.7 | ||||
| 88 | S | 30.3 | Very low | 34.7 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | -84.4 | -179.7 | 167.1 | -28.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 89 | P | 49.1 | Very low | 34.7 | Very low | 111 Ų | 111 | 139 Ų | 139 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | -151.1 | -170.4 | 54.9 | 42.2 | -19.7 | 0 | 0 | 0 | 118.3 | |||||
| 90 | D | 32.8 | Very low | 35 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | trans | 76.6 | 136.1 | 161.8 | -67.8 | -29.8 | 0 | 0 | 0 | 121.8 | ||||
| 91 | G | 29.4 | Very low | 34.8 | Very low | 73 Ų | 73 | 139.1 Ų | 139.1 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | -178 | -37.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 92 | R | 33.9 | Very low | 34 | Very low | 233 Ų | 233 | 139.1 Ų | 139.1 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | trans | 73.8 | 126.3 | 176.4 | -53.6 | 178.1 | 177.6 | -176.9 | -0 | 119.3 | ||||
| 93 | R | 34 | Very low | 34.1 | Very low | 238 Ų | 238 | 141.4 Ų | 141.4 | 90% | 0.898 | 78% | 0.775 | S | S | * | * | 53 | 138.9 | 126.5 | -57 | -179 | -178.4 | -163.7 | -1.2 | 119.3 | |||||
| 94 | S | 29.8 | Very low | 34.1 | Very low | 99 Ų | 99 | 139 Ų | 139 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | cis | -144.3 | 136.2 | 26.9 | -121.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 95 | S | 37.7 | Very low | 33.4 | Very low | 101 Ų | 101 | 140.1 Ų | 140.1 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | 50.1 | 133.4 | 92.5 | 82.1 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 96 | S | 39.5 | Very low | 33.5 | Very low | 98 Ų | 98 | 134.6 Ų | 134.6 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | cis | -158.3 | 140.5 | 17.7 | 48.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 97 | D | 34 | Very low | 33.8 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | 32.1 | 136.6 | 127.4 | -55.6 | -56.9 | 0 | 0 | 0 | 120 | |||||
| 98 | T | 34.7 | Very low | 34.1 | Very low | 126 Ų | 126 | 140.8 Ų | 140.8 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | -155.6 | 135.6 | 58.7 | 30.6 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 99 | S | 33.4 | Very low | 34.2 | Very low | 88 Ų | 88 | 143 Ų | 143 | 62% | 0.615 | 75% | 0.753 | S | S | * | * | 55.9 | 116.7 | 125.4 | -58.1 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 100 | K | 35.4 | Very low | 33.3 | Very low | 202 Ų | 202 | 142.6 Ų | 142.6 | 88% | 0.878 | 75% | 0.753 | S | S | * | * | 65.5 | 144 | 88.8 | -68.9 | 174.2 | -177.9 | 178.1 | 0 | 113.6 | |||||
| 101 | S | 31.5 | Very low | 33.2 | Very low | 92 Ų | 92 | 139.6 Ų | 139.6 | 64% | 0.643 | 75% | 0.745 | S | S | * | * | cis | -172.8 | 135.7 | 1.4 | 148.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 102 | T | 33.4 | Very low | 33.2 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | 40.7 | 149.8 | 126.2 | -10.9 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 103 | Y | 33 | Very low | 33 | Very low | 213 Ų | 213 | 139.9 Ų | 139.9 | 84% | 0.835 | 74% | 0.741 | S | S | * | * | trans | 78 | 150.4 | 171.8 | -78.4 | -112.4 | 0 | 0 | 0 | 117.6 | ||||
| 104 | S | 35.7 | Very low | 32.8 | Very low | 81 Ų | 81 | 132.9 Ų | 132.9 | 57% | 0.566 | 73% | 0.728 | S | S | * | * | cis | -177.4 | 151.8 | -29.7 | 60.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 105 | L | 31.5 | Very low | 32.9 | Very low | 152 Ų | 152 | 139.5 Ų | 139.5 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | trans | 61.8 | 111.9 | 145.2 | -68.3 | 166.6 | 0 | 0 | 0 | 122.6 | ||||
| 106 | T | 31.5 | Very low | 32.8 | Very low | 116 Ų | 116 | 146.4 Ų | 146.4 | 71% | 0.712 | 75% | 0.749 | S | S | * | * | trans | 30.5 | 133.6 | 132.3 | 56 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 107 | R | 32.9 | Very low | 32.9 | Very low | 198 Ų | 198 | 147.4 Ų | 147.4 | 75% | 0.747 | 75% | 0.753 | S | S | * | * | 159.4 | 141.8 | 99.1 | 178.7 | 174.1 | -78.1 | -143 | 0.1 | 115.7 | |||||
| 108 | R | 32.2 | Very low | 33 | Very low | 202 Ų | 202 | 146 Ų | 146 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | trans | 75.3 | 102.5 | 155.6 | -84.3 | 168.1 | -172.3 | 177.6 | -1.9 | 123.4 | ||||
| 109 | I | 32.3 | Very low | 33 | Very low | 162 Ų | 162 | 145.2 Ų | 145.2 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | 15.9 | 122.8 | 114.3 | -47.4 | 169 | 0 | 0 | 0 | 119.2 | |||||
| 110 | S | 30.3 | Very low | 33.3 | Very low | 102 Ų | 102 | 147 Ų | 147 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | 179.4 | 127.7 | 120.9 | 55.6 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 111 | S | 30.4 | Very low | 33.3 | Very low | 103 Ų | 103 | 145.6 Ų | 145.6 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | trans | 27.1 | 140.6 | 144.1 | 51.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 112 | L | 30.9 | Very low | 33.7 | Very low | 150 Ų | 150 | 148.8 Ų | 148.8 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | cis | -158.2 | 171.3 | 20.2 | -98.7 | 139.7 | 0 | 0 | 0 | 110.2 | ||||
| 113 | E | 29.2 | Very low | 33.8 | Very low | 161 Ų | 161 | 149.7 Ų | 149.7 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | 40 | 129.9 | 161.2 | -101.5 | 46.5 | -140.1 | 0 | 0 | 120.3 | ||||
| 114 | S | 29.3 | Very low | 34.3 | Very low | 91 Ų | 91 | 146.6 Ų | 146.6 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | cis | -173.5 | 175.1 | 31 | 54.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 115 | R | 32.5 | Very low | 34.5 | Very low | 239 Ų | 239 | 150.9 Ų | 150.9 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | trans | 83.2 | 106.2 | 167.5 | -53.8 | -179.2 | -174 | -128 | -1.5 | 118.3 | ||||
| 116 | R | 35.6 | Very low | 34.8 | Very low | 245 Ų | 245 | 149.3 Ų | 149.3 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | trans | -95.1 | 152.8 | 151.8 | -70.9 | 178.7 | 176.7 | 164.4 | -1.4 | 109.6 | ||||
| 117 | P | 41.1 | Very low | 35.4 | Very low | 119 Ų | 119 | 151.2 Ų | 151.2 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | -131 | 164.3 | 114.5 | 7.5 | 14.7 | 0 | 0 | 0 | 110.1 | |||||
| 118 | S | 36 | Very low | 35.8 | Very low | 111 Ų | 111 | 150.6 Ų | 150.6 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | cis | 169.6 | 114.3 | -18.6 | 49.3 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 119 | S | 34.6 | Very low | 36 | Very low | 108 Ų | 108 | 150.7 Ų | 150.7 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | -82.3 | 151.3 | 174.4 | 48.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 120 | P | 39.5 | Very low | 36.2 | Very low | 127 Ų | 127 | 146.9 Ų | 146.9 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -71.4 | 140.8 | -176 | 29.4 | -34.7 | 0 | 0 | 0 | 112.3 | ||||
| 121 | L | 36.2 | Very low | 36.6 | Very low | 171 Ų | 171 | 148.2 Ų | 148.2 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | trans | -105.5 | 139.7 | 167.9 | -73.9 | 166.3 | 0 | 0 | 0 | 108.8 | ||||
| 122 | I | 40.7 | Very low | 36.9 | Very low | 160 Ų | 160 | 151.8 Ų | 151.8 | 82% | 0.821 | 81% | 0.807 | S | S | * | * | trans | -92.2 | 120.4 | 169.7 | -64.7 | 174.3 | 0 | 0 | 0 | 107.4 | ||||
| 123 | D | 34.8 | Very low | 37 | Very low | 132 Ų | 132 | 149.9 Ų | 149.9 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | trans | -82.7 | 126.8 | 179.2 | -177.1 | 28.7 | 0 | 0 | 0 | 110.7 | ||||
| 124 | I | 43 | Very low | 37.7 | Very low | 149 Ų | 149 | 146.2 Ų | 146.2 | 76% | 0.764 | 80% | 0.803 | S | S | * | * | trans | -111.1 | 103.8 | 176.8 | -58.1 | 174.8 | 0 | 0 | 0 | 107.4 | ||||
| 125 | K | 40.3 | Very low | 38 | Very low | 171 Ų | 171 | 152.2 Ų | 152.2 | 74% | 0.743 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 133.3 | 175.4 | -70.8 | -174.3 | 175.4 | -177.5 | 0 | 111 | ||
| 126 | P | 36.7 | Very low | 38.6 | Very low | 118 Ų | 118 | 150.7 Ų | 150.7 | 77% | 0.766 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 149.4 | 172.7 | 30.9 | -34.2 | 0 | 0 | 0 | 111 | ||
| 127 | I | 45.6 | Very low | 38.6 | Very low | 156 Ų | 156 | 147.6 Ų | 147.6 | 80% | 0.8 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 124.7 | 173.5 | -61.8 | 174.4 | 0 | 0 | 0 | 108.4 | ||
| 128 | E | 41.4 | Very low | 38.3 | Very low | 186 Ų | 186 | 147.7 Ų | 147.7 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -77 | 138.5 | 179 | -63.8 | -177.2 | 152 | 0 | 0 | 111.9 | ||
| 129 | F | 36.2 | Very low | 38.3 | Very low | 204 Ų | 204 | 150.1 Ų | 150.1 | 90% | 0.895 | 82% | 0.817 | S | S | * | * | trans | -91.5 | 107.6 | 175.5 | -83.7 | -95.5 | 0 | 0 | 0 | 111.1 | ||||
| 130 | G | 36.6 | Very low | 38.8 | Very low | 82 Ų | 82 | 153.2 Ų | 153.2 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | -80.4 | 120.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 131 | V | 37.2 | Very low | 38.6 | Very low | 130 Ų | 130 | 152.8 Ų | 152.8 | 79% | 0.788 | 82% | 0.817 | S | S | * | * | trans | -94.5 | 121.1 | 177.6 | 176.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 132 | L | 37.2 | Very low | 38.7 | Very low | 177 Ų | 177 | 150.1 Ų | 150.1 | 93% | 0.927 | 81% | 0.813 | S | S | * | * | trans | -138.7 | 149.3 | 153.1 | -79.9 | -177.3 | 0 | 0 | 0 | 110.6 | ||||
| 133 | S | 33.9 | Very low | 38.5 | Very low | 111 Ų | 111 | 148.6 Ų | 148.6 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -106.8 | 139.9 | -153.1 | -165.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 134 | A | 42.9 | Very low | 38.6 | Very low | 83 Ų | 83 | 150.1 Ų | 150.1 | 69% | 0.686 | 82% | 0.818 | S | S | * | * | trans | 44.7 | 113.6 | 148.4 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 135 | K | 36.1 | Very low | 38.4 | Very low | 217 Ų | 217 | 154.1 Ų | 154.1 | 94% | 0.943 | 82% | 0.823 | S | S | * | * | -159.8 | 155.5 | 112.4 | -102.2 | 159.1 | -171.1 | -179.5 | 0 | 111.1 | |||||
| 136 | K | 44 | Very low | 38.3 | Very low | 208 Ų | 208 | 155.8 Ų | 155.8 | 90% | 0.904 | 83% | 0.825 | S | S | * | * | trans | -85.4 | 140.4 | -168.1 | -64.1 | 173.6 | 175.1 | 178 | 0 | 112.7 | ||||
| 137 | E | 36 | Very low | 38.1 | Very low | 180 Ų | 180 | 156.8 Ų | 156.8 | 84% | 0.841 | 83% | 0.829 | S | S | * | * | trans | -163.2 | 141.7 | 136.6 | -115.6 | 172.5 | -177.2 | 0 | 0 | 110.7 | I139 | E137-I139 PolarHBondContact O-N 3.44Š| ||
| 138 | P | 35.1 | Very low | 37.6 | Very low | 120 Ų | 120 | 158.3 Ų | 158.3 | 78% | 0.779 | 83% | 0.826 | S | S | * | * | trans | -85.7 | 106 | -178.9 | 32.3 | -31.7 | 0 | 0 | 0 | 111.6 | Q140 | P138-Q140 PolarHBondContact O-N 3.04Å; P138-Q140 VanDerWaalsContact O-N 3.14Å | ||
| 139 | I | 36.9 | Very low | 37.7 | Very low | 162 Ų | 162 | 153.9 Ų | 153.9 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | trans | -77.2 | 98.8 | 172.7 | -56.8 | 174.3 | 0 | 0 | 0 | 109.1 | E137 | E137-I139 PolarHBondContact O-N 3.44Š| ||
| 140 | Q | 44.7 | Very low | 38.1 | Very low | 173 Ų | 173 | 150 Ų | 150 | 81% | 0.808 | 81% | 0.808 | S | S | * | * | trans | -68.4 | 140.1 | 159.5 | -78.6 | -172.5 | -30.5 | 0 | 0 | 109.5 | P138 S142 | P138-Q140 PolarHBondContact O-N 3.04Å; P138-Q140 VanDerWaalsContact O-N 3.14Å; Q140-S142 PolarHBondContact O-N 3.42Å | ||
| 141 | P | 35.9 | Very low | 38.4 | Very low | 118 Ų | 118 | 153.2 Ų | 153.2 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | trans | -65.7 | 125.2 | 168.7 | 27.6 | -32.5 | 0 | 0 | 0 | 109.7 | V143 | P141-V143 PolarHBondContact O-N 3.18Å; P141-V143 VanDerWaalsContact O-N 3.1Å | ||
| 142 | S | 37 | Very low | 38.5 | Very low | 115 Ų | 115 | 152.1 Ų | 152.1 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -70.4 | 104 | -179.7 | 41.8 | 0 | 0 | 0 | 0 | 111.2 | Q140 L144 | Q140-S142 PolarHBondContact O-N 3.42Å; S142-L144 PolarHBondContact O-N 3.43Å | ||
| 143 | V | 37.6 | Very low | 38.9 | Very low | 128 Ų | 128 | 153.1 Ų | 153.1 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -65.6 | 106.5 | 166.4 | 179.4 | 0 | 0 | 0 | 0 | 108.1 | P141 R145 | P141-V143 PolarHBondContact O-N 3.18Å; P141-V143 VanDerWaalsContact O-N 3.1Å; V143-R145 VanDerWaalsContact C-N 3.26Å; V143-R145 PolarHBondContact O-N 3.11Å | ||
| 144 | L | 37.2 | Very low | 39.5 | Very low | 165 Ų | 165 | 155.9 Ų | 155.9 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -61.9 | 86.4 | 168.9 | -96.8 | 158.9 | 0 | 0 | 0 | 109.6 | S142 R146 | S142-L144 PolarHBondContact O-N 3.43Å; L144-R146 VanDerWaalsContact C-N 3.26Å; L144-R146 PolarHBondContact O-N 3.34Å | ||
| 145 | R | 37.8 | Very low | 39.8 | Very low | 232 Ų | 232 | 163 Ų | 163 | 88% | 0.875 | 80% | 0.795 | S | S | * | * | trans | -67 | 88 | 166.4 | -86.3 | -172.3 | 171.6 | 178.4 | -1.6 | 109 | V143 T147 | V143-R145 VanDerWaalsContact C-N 3.26Å; V143-R145 PolarHBondContact O-N 3.11Å; R145-T147 PolarHBondContact O-N 2.98Å | ||
| 146 | R | 37.5 | Very low | 40.4 | Very low | 207 Ų | 207 | 160.4 Ų | 160.4 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | trans | -69.7 | 114.6 | 163.1 | -160 | 170.4 | -170 | 151 | 1.3 | 107.4 | L144 Y148 | L144-R146 VanDerWaalsContact C-N 3.26Å; L144-R146 PolarHBondContact O-N 3.34Å; R146-Y148 HydrophobicContact CB-CE2 4.42Å; R146-Y148 VanDerWaalsContact O-CD2 3.29Å; R146-Y148 WeakPolarHBondContact O-CD2 3.46Å; R146-Y148 PolarHBondContact O-N 3.42Å | ||
| 147 | T | 33.1 | Very low | 40.2 | Very low | 139 Ų | 139 | 157.2 Ų | 157.2 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 118.6 | 172.9 | 24.9 | 0 | 0 | 0 | 0 | 109.1 | R145 | R145-T147 PolarHBondContact O-N 2.98Š|
| 148 | Y | 34.8 | Very low | 40.7 | Very low | 187 Ų | 187 | 152 Ų | 152 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 128.5 | 173.4 | -75.8 | -92.6 | 0 | 0 | 0 | 109.9 | R146 | R146-Y148 HydrophobicContact CB-CE2 4.42Å; R146-Y148 VanDerWaalsContact O-CD2 3.29Å; R146-Y148 WeakPolarHBondContact O-CD2 3.46Å; R146-Y148 PolarHBondContact O-N 3.42Å |
| 149 | T | 44.8 | Very low | 41 | Very low | 94 Ų | 94 | 151.4 Ų | 151.4 | 58% | 0.577 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 145.2 | 165.8 | 38.6 | 0 | 0 | 0 | 0 | 110.1 | D151 | T149-D151 PolarHBondContact O-N 3.36Š|
| 150 | P | 43.6 | Very low | 41.3 | Very low | 123 Ų | 123 | 150 Ų | 150 | 80% | 0.799 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -61.5 | -17.2 | -171.7 | -27.6 | 37 | 0 | 0 | 0 | 117.2 | ||
| 151 | D | 42.6 | Very low | 41 | Very low | 149 Ų | 149 | 147.7 Ų | 147.7 | 80% | 0.797 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -82.1 | -9.9 | -174.2 | -68 | -66.3 | 0 | 0 | 0 | 115.6 | T149 Y153 | T149-D151 PolarHBondContact O-N 3.36Å; D151-Y153 VanDerWaalsContact C-N 3.28Å; D151-Y153 PolarHBondContact O-N 2.98Å |
| 152 | D | 40.8 | Very low | 41.4 | Very low | 106 Ų | 106 | 150.4 Ų | 150.4 | 57% | 0.567 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -78.3 | -4.4 | -175.9 | -95.7 | -32.4 | 0 | 0 | 0 | 114.7 | F154 | D152-F154 VanDerWaalsContact C-N 3.25Å; D152-F154 PolarHBondContact O-N 2.94Å |
| 153 | Y | 45.3 | Very low | 41.3 | Very low | 199 Ų | 199 | 148.7 Ų | 148.7 | 78% | 0.78 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -68.9 | -17 | -171.1 | -157 | -98.4 | 0 | 0 | 0 | 114.7 | D151 | D151-Y153 VanDerWaalsContact C-N 3.28Å; D151-Y153 PolarHBondContact O-N 2.98Å |
| 154 | F | 45.3 | Very low | 41.3 | Very low | 169 Ų | 169 | 149.3 Ų | 149.3 | 74% | 0.741 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -113.2 | 3.4 | -170.4 | -86.2 | -83.6 | 0 | 0 | 0 | 116.3 | D152 | D152-F154 VanDerWaalsContact C-N 3.25Å; D152-F154 PolarHBondContact O-N 2.94Å |
| 155 | R | 50.2 | Low | 41 | Very low | 232 Ų | 232 | 148.5 Ų | 148.5 | 88% | 0.875 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -118.6 | 21.8 | -173.9 | -78.3 | -141.3 | 178.6 | -144.4 | 2.3 | 117.1 | ||
| 156 | K | 48.8 | Very low | 41 | Very low | 163 Ų | 163 | 141.6 Ų | 141.6 | 71% | 0.709 | 69% | 0.69 | S | S | * | * | trans | -131.2 | 39.2 | 170.2 | -117.2 | -175.2 | -176.6 | -101 | 0 | 116.1 | E158 | K156-E158 IonicContact NZ-OE1 3.46Å; K156-E158 PolarHBondContact NZ-OE1 3.14Å; K156-E158 PolarHBondContact O-N 3.27Å | ||
| 157 | F | 39.4 | Very low | 41.1 | Very low | 140 Ų | 140 | 135.7 Ų | 135.7 | 61% | 0.614 | 68% | 0.681 | S | S | * | * | trans | -75.9 | 97.6 | 147.6 | -69.8 | -77.6 | 0 | 0 | 0 | 107.8 | P159 Y162 | F157-P159 WeakPolarHBondContact O-CD 3.33Å; F157-Y162 HydrophobicContact CD1-CE2 4.1Å | ||
| 158 | E | 45.9 | Very low | 41.6 | Very low | 72 Ų | 72 | 132.4 Ų | 132.4 | 34% | 0.336 | 66% | 0.663 | S | S | . | * | trans | -68.6 | 105.3 | 168.4 | -85 | 169.6 | -162.5 | 0 | 0 | 108.1 | K156 H160 L161 | K156-E158 IonicContact NZ-OE1 3.46Å; K156-E158 PolarHBondContact NZ-OE1 3.14Å; K156-E158 PolarHBondContact O-N 3.27Å; E158-H160 PolarHBondContact O-N 3.1Å; E158-H160 VanDerWaalsContact O-N 3.1Å; E158-H160 IonicContact OE2-CE1 3.12Å; E158-H160 PolarHBondContact OE2-CE1 3.36Å; E158-L161 HydrophobicContact CB-CD1 4.32Å; E158-L161 HydrophobicContact CB-CG 4.36Å; E158-L161 PolarHBondContact O-N 2.95Å | ||
| 159 | P | 42.4 | Very low | 41.9 | Very low | 107 Ų | 107 | 129 Ų | 129 | 70% | 0.695 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -64.8 | -25.8 | -166.3 | -22.2 | 35.6 | 0 | 0 | 0 | 112.3 | F157 L161 Y162 S163 | F157-P159 WeakPolarHBondContact O-CD 3.33Å; P159-L161 VanDerWaalsContact C-N 3.26Å; P159-L161 PolarHBondContact O-N 2.9Å; P159-Y162 CarbonylContact O-C 3.53Å; P159-Y162 PolarHBondContact O-N 3.01Å; P159-Y162 VanDerWaalsContact O-N 3.15Å; P159-S163 PolarHBondContact O-N 3.27Å |
| 160 | H | 42.3 | Very low | 42.2 | Very low | 133 Ų | 133 | 128.4 Ų | 128.4 | 62% | 0.616 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -67.9 | -16.9 | 176.5 | 62.9 | 26.9 | 0 | 0 | 0 | 114.8 | E158 | E158-H160 PolarHBondContact O-N 3.1Å; E158-H160 VanDerWaalsContact O-N 3.1Å; E158-H160 IonicContact OE2-CE1 3.12Å; E158-H160 PolarHBondContact OE2-CE1 3.36Å |
| 161 | L | 39.5 | Very low | 42.9 | Very low | 124 Ų | 124 | 124.1 Ų | 124.1 | 65% | 0.649 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -86.4 | -11.9 | 173.8 | -66.6 | -179.2 | 0 | 0 | 0 | 112.7 | E158 P159 | E158-L161 HydrophobicContact CB-CD1 4.32Å; E158-L161 HydrophobicContact CB-CG 4.36Å; E158-L161 PolarHBondContact O-N 2.95Å; P159-L161 VanDerWaalsContact C-N 3.26Å; P159-L161 PolarHBondContact O-N 2.9Å |
| 162 | Y | 42.7 | Very low | 43.6 | Very low | 175 Ų | 175 | 124 Ų | 124 | 69% | 0.686 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.8 | 2.1 | 175.1 | -63.9 | -85.5 | 0 | 0 | 0 | 112.3 | F157 P159 L164 | F157-Y162 HydrophobicContact CD1-CE2 4.1Å; P159-Y162 CarbonylContact O-C 3.53Å; P159-Y162 PolarHBondContact O-N 3.01Å; P159-Y162 VanDerWaalsContact O-N 3.15Å; Y162-L164 PolarHBondContact O-N 3.14Å; Y162-L164 VanDerWaalsContact O-N 3.08Å |
| 163 | S | 35.1 | Very low | 44.8 | Very low | 78 Ų | 78 | 124 Ų | 124 | 55% | 0.545 | 63% | 0.63 | S | S | . | * | trans | -67.4 | 105.4 | 165.7 | -171.7 | 0 | 0 | 0 | 0 | 106.8 | P159 | P159-S163 PolarHBondContact O-N 3.27Š| ||
| 164 | L | 37.4 | Very low | 46.1 | Very low | 141 Ų | 141 | 116.9 Ų | 116.9 | 74% | 0.738 | 61% | 0.606 | S | S | * | * | trans | -50 | 142.5 | 154.6 | -66.7 | 162.6 | 0 | 0 | 0 | 107.6 | Y162 S166 | Y162-L164 PolarHBondContact O-N 3.14Å; Y162-L164 VanDerWaalsContact O-N 3.08Å; L164-S166 PolarHBondContact O-N 3.21Å | ||
| 165 | D | 31.6 | Very low | 47.9 | Very low | 148 Ų | 148 | 112.3 Ų | 112.3 | 79% | 0.791 | 59% | 0.592 | S | S | * | * | trans | -60.8 | 100.5 | 176.8 | -78.2 | -52.9 | 0 | 0 | 0 | 109.5 | S167 | D165-S167 PolarHBondContact O-N 2.77Å; D165-S167 PolarHBondContact O-OG 3.36Å | ||
| 166 | S | 38.9 | Very low | 49.4 | Very low | 87 Ų | 87 | 104 Ų | 104 | 61% | 0.608 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | 75.8 | -175.2 | -142.5 | 0 | 0 | 0 | 0 | 110.9 | L164 D170 | L164-S166 PolarHBondContact O-N 3.21Å; S166-D170 PolarHBondContact OG-OD2 3.29Å |
| 167 | S | 39.3 | Very low | 50.9 | Low | 84 Ų | 84 | 104 Ų | 104 | 59% | 0.587 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138 | -11.4 | 179.4 | 61 | 0 | 0 | 0 | 0 | 112.8 | D165 | D165-S167 PolarHBondContact O-N 2.77Å; D165-S167 PolarHBondContact O-OG 3.36Å |
| 168 | S | 42.3 | Very low | 52.6 | Low | 69 Ų | 69 | 101.7 Ų | 101.7 | 48% | 0.483 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -98.6 | -48.7 | 177.5 | 169.4 | 0 | 0 | 0 | 0 | 112.4 | ||
| 169 | D | 41.4 | Very low | 54.1 | Low | 117 Ų | 117 | 99 Ų | 99 | 63% | 0.626 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -7.6 | -155.4 | -59.3 | -10.6 | 0 | 0 | 0 | 114.1 | ||
| 170 | D | 52.2 | Low | 55.7 | Low | 80 Ų | 80 | 96.5 Ų | 96.5 | 43% | 0.428 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -5.5 | 179.7 | -64.6 | -61.9 | 0 | 0 | 0 | 113.9 | S166 D172 S173 | S166-D170 PolarHBondContact OG-OD2 3.29Å; D170-D172 PolarHBondContact O-N 3.46Å; D170-S173 PolarHBondContact O-N 3.27Å |
| 171 | V | 57.2 | Low | 56.9 | Low | 33 Ų | 33 | 94.1 Ų | 94.1 | 20% | 0.2 | 53% | 0.525 | C | S | . | . | G | 310 helix | trans | -67.5 | -32.3 | -173.5 | -62.7 | 0 | 0 | 0 | 0 | 113.9 | S173 L174 | V171-S173 PolarHBondContact O-N 3.33Å; V171-L174 PolarHBondContact O-N 3.19Å |
| 172 | D | 58.6 | Low | 58.4 | Low | 148 Ų | 148 | 93.6 Ų | 93.6 | 79% | 0.791 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -75 | -10.1 | -179 | -74.5 | -17.3 | 0 | 0 | 0 | 113 | D170 | D170-D172 PolarHBondContact O-N 3.46Š|
| 173 | S | 64.3 | Low | 59.9 | Low | 105 Ų | 105 | 88 Ų | 88 | 73% | 0.734 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -98 | -6.3 | 176.9 | -62.7 | 0 | 0 | 0 | 0 | 114 | D170 V171 | D170-S173 PolarHBondContact O-N 3.27Å; V171-S173 PolarHBondContact O-N 3.33Å |
| 174 | L | 73.3 | Confident | 62 | Low | 50 Ų | 50 | 91.2 Ų | 91.2 | 26% | 0.262 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -85.9 | 142.8 | -178.4 | -62.8 | 176.2 | 0 | 0 | 0 | 111.7 | V171 E178 I179 K182 | V171-L174 PolarHBondContact O-N 3.19Å; L174-E178 HydrophobicContact CB-CB 4.29Å; L174-E178 HydrophobicContact CD2-CB 4.31Å; L174-I179 HydrophobicContact CB-CD1 4.22Å; L174-I179 HydrophobicContact CB-CG1 3.72Å; L174-I179 HydrophobicContact CD1-CG1 4.4Å; L174-K182 HydrophobicContact CD1-CD 4.07Å |
| 175 | T | 83.4 | Confident | 64.3 | Low | 73 Ų | 73 | 86 Ų | 86 | 45% | 0.448 | 47% | 0.474 | S | S | . | . | trans | -71.2 | 156.5 | 169.6 | 61.7 | 0 | 0 | 0 | 0 | 111.5 | E177 E178 I179 | T175-E177 PolarHBondContact O-N 3.05Å; T175-E177 VanDerWaalsContact O-N 3.14Å; T175-E178 WeakPolarHBondContact CB-OE2 3.41Å; T175-E178 WeakPolarHBondContact CG2-OE2 3.12Å; T175-E178 PolarHBondContact N-OE2 3.33Å; T175-E178 PolarHBondContact O-N 3.29Å; T175-E178 VanDerWaalsContact O-N 3.11Å; T175-E178 VanDerWaalsContact OG1-CD 3.3Å; T175-E178 WeakPolarHBondContact OG1-CG 3.35Å; T175-E178 PolarHBondContact OG1-N 3.1Å; T175-E178 PolarHBondContact OG1-OE2 3.42Å; T175-I179 WeakPolarHBondContact O-CG1 3.38Å; T175-I179 PolarHBondContact O-N 3.47Å | ||
| 176 | D | 80.9 | Confident | 67 | Low | 57 Ų | 57 | 79.1 Ų | 79.1 | 31% | 0.305 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -55.8 | -31 | 175.9 | -73.3 | -70.5 | 0 | 0 | 0 | 112.7 | L180 M187 K310 A311 | D176-L180 WeakPolarHBondContact O-CB 3.4Å; D176-L180 VanDerWaalsContact O-CG 3.24Å; D176-L180 WeakPolarHBondContact O-CG 3.4Å; D176-L180 PolarHBondContact O-N 2.59Å; D176-M187 HydrophobicContact CB-CE 4.36Å; D176-K310 WeakPolarHBondContact OD1-CA 3.31Å; D176-A311 HydrophobicContact CB-CB 4.06Å; D176-A311 WeakPolarHBondContact O-CB 3.48Å; D176-A311 WeakPolarHBondContact OD1-CB 3.39Å; D176-A311 PolarHBondContact OD1-N 3.29Å |
| 177 | E | 80.5 | Confident | 69.7 | Low | 163 Ų | 163 | 75.6 Ų | 75.6 | 76% | 0.762 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -69.8 | -43.7 | 177.2 | -62.6 | -178.7 | 174.7 | 0 | 0 | 112 | T175 L180 S181 | T175-E177 PolarHBondContact O-N 3.05Å; T175-E177 VanDerWaalsContact O-N 3.14Å; E177-L180 PolarHBondContact O-N 3.32Å; E177-S181 PolarHBondContact O-N 2.81Å |
| 178 | E | 75.2 | Confident | 72.5 | Confident | 92 Ų | 92 | 71.6 Ų | 71.6 | 43% | 0.43 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.2 | -44.1 | 174.5 | -70.9 | 163.6 | 130.2 | 0 | 0 | 111.2 | L174 T175 L180 S181 K182 | L174-E178 HydrophobicContact CB-CB 4.29Å; L174-E178 HydrophobicContact CD2-CB 4.31Å; T175-E178 WeakPolarHBondContact CB-OE2 3.41Å; T175-E178 WeakPolarHBondContact CG2-OE2 3.12Å; T175-E178 PolarHBondContact N-OE2 3.33Å; T175-E178 PolarHBondContact O-N 3.29Å; T175-E178 VanDerWaalsContact O-N 3.11Å; T175-E178 VanDerWaalsContact OG1-CD 3.3Å; T175-E178 WeakPolarHBondContact OG1-CG 3.35Å; T175-E178 PolarHBondContact OG1-N 3.1Å; T175-E178 PolarHBondContact OG1-OE2 3.42Å; E178-L180 VanDerWaalsContact C-N 3.33Å; E178-L180 PolarHBondContact O-N 2.85Å; E178-S181 PolarHBondContact O-N 3.42Å; E178-S181 PolarHBondContact O-OG 3.48Å; E178-K182 VanDerWaalsContact O-CB 3.28Å; E178-K182 WeakPolarHBondContact O-CB 3.46Å; E178-K182 PolarHBondContact O-N 2.95Å |
| 179 | I | 76.7 | Confident | 75.1 | Confident | 14 Ų | 14 | 69.2 Ų | 69.2 | 7% | 0.072 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.1 | -45.3 | 176 | -66 | 168.6 | 0 | 0 | 0 | 110.4 | L174 T175 K182 Y183 A311 I313 | L174-I179 HydrophobicContact CB-CD1 4.22Å; L174-I179 HydrophobicContact CB-CG1 3.72Å; L174-I179 HydrophobicContact CD1-CG1 4.4Å; T175-I179 WeakPolarHBondContact O-CG1 3.38Å; T175-I179 PolarHBondContact O-N 3.47Å; I179-K182 PolarHBondContact O-N 3.16Å; I179-Y183 HydrophobicContact CG2-CD2 3.91Å; I179-Y183 WeakPolarHBondContact O-CD2 3.36Å; I179-Y183 PolarHBondContact O-N 2.84Å; I179-A311 HydrophobicContact CB-CB 3.84Å; I179-A311 HydrophobicContact CG2-CB 3.51Å; I179-I313 HydrophobicContact CD1-CG2 4.03Å; I179-I313 HydrophobicContact CG1-CG2 4.5Å; I179-I313 HydrophobicContact CG2-CG2 3.87Å |
| 180 | L | 76.7 | Confident | 77.8 | Confident | 55 Ų | 55 | 63.7 Ų | 63.7 | 29% | 0.288 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61 | -45.7 | 175.9 | -78.7 | 167.8 | 0 | 0 | 0 | 112.4 | D176 E177 E178 K182 Q184 M187 A311 | D176-L180 WeakPolarHBondContact O-CB 3.4Å; D176-L180 VanDerWaalsContact O-CG 3.24Å; D176-L180 WeakPolarHBondContact O-CG 3.4Å; D176-L180 PolarHBondContact O-N 2.59Å; E177-L180 PolarHBondContact O-N 3.32Å; E178-L180 VanDerWaalsContact C-N 3.33Å; E178-L180 PolarHBondContact O-N 2.85Å; L180-K182 VanDerWaalsContact C-N 3.3Å; L180-K182 PolarHBondContact O-N 2.81Å; L180-Q184 WeakPolarHBondContact O-CA 3.49Å; L180-Q184 VanDerWaalsContact O-CG 3.3Å; L180-Q184 WeakPolarHBondContact O-CG 3.29Å; L180-Q184 PolarHBondContact O-N 3.33Å; L180-M187 HydrophobicContact CD1-CE 4.17Å; L180-M187 HydrophobicContact CD1-CG 3.97Å; L180-M187 HydrophobicContact CD1-SD 3.78Å; L180-M187 HydrophobicContact CD2-CG 3.73Å; L180-M187 HydrophobicContact CG-CG 4.29Å; L180-A311 HydrophobicContact CD2-CB 4.3Å; L180-A311 HydrophobicContact CG-CB 3.89Å |
| 181 | S | 68.4 | Low | 79.9 | Confident | 84 Ų | 84 | 61 Ų | 61 | 59% | 0.587 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -62.6 | -38.1 | 178.9 | 78 | 0 | 0 | 0 | 0 | 112.5 | E177 E178 Q184 | E177-S181 PolarHBondContact O-N 2.81Å; E178-S181 PolarHBondContact O-N 3.42Å; E178-S181 PolarHBondContact O-OG 3.48Å; S181-Q184 PolarHBondContact O-NE2 2.92Å |
| 182 | K | 70.3 | Confident | 81.8 | Confident | 112 Ų | 112 | 59.5 Ų | 59.5 | 49% | 0.487 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -79.7 | -38.2 | -173.6 | -173.4 | 176.4 | 179.1 | -167.7 | 0 | 113.5 | L174 E178 I179 L180 | L174-K182 HydrophobicContact CD1-CD 4.07Å; E178-K182 VanDerWaalsContact O-CB 3.28Å; E178-K182 WeakPolarHBondContact O-CB 3.46Å; E178-K182 PolarHBondContact O-N 2.95Å; I179-K182 PolarHBondContact O-N 3.16Å; L180-K182 VanDerWaalsContact C-N 3.3Å; L180-K182 PolarHBondContact O-N 2.81Å |
| 183 | Y | 73.3 | Confident | 83.6 | Confident | 58 Ų | 58 | 57.5 Ų | 57.5 | 23% | 0.227 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -117.7 | -26.6 | -170.3 | -58.3 | -68.1 | 0 | 0 | 0 | 114.7 | I179 L185 P314 | I179-Y183 HydrophobicContact CG2-CD2 3.91Å; I179-Y183 WeakPolarHBondContact O-CD2 3.36Å; I179-Y183 PolarHBondContact O-N 2.84Å; Y183-L185 WeakPolarHBondContact O-CG 3.26Å; Y183-L185 PolarHBondContact O-N 3.13Å; Y183-L185 VanDerWaalsContact O-N 3.12Å; Y183-P314 HydrophobicContact CD1-CG 3.65Å; Y183-P314 HydrophobicContact CE1-CG 3.56Å; Y183-P314 HydrophobicContact CE2-CG 4.43Å; Y183-P314 HydrophobicContact CG-CG 4.13Å |
| 184 | Q | 80.9 | Confident | 85.1 | Confident | 145 Ų | 145 | 52.8 Ų | 52.8 | 68% | 0.678 | 27% | 0.267 | S | S | * | . | trans | 55.5 | 29.4 | 174.8 | -56.5 | 172.8 | 28.1 | 0 | 0 | 114.6 | L180 S181 G186 | L180-Q184 WeakPolarHBondContact O-CA 3.49Å; L180-Q184 VanDerWaalsContact O-CG 3.3Å; L180-Q184 WeakPolarHBondContact O-CG 3.29Å; L180-Q184 PolarHBondContact O-N 3.33Å; S181-Q184 PolarHBondContact O-NE2 2.92Å; Q184-G186 VanDerWaalsContact C-N 3.32Å; Q184-G186 PolarHBondContact O-N 2.83Å | ||
| 185 | L | 84.2 | Confident | 86.1 | Confident | 32 Ų | 32 | 52.8 Ų | 52.8 | 17% | 0.168 | 27% | 0.267 | C | S | . | . | trans | -85.7 | -0.6 | -178.1 | -59.9 | 174.3 | 0 | 0 | 0 | 113.9 | Y183 P212 I290 L312 P314 | Y183-L185 WeakPolarHBondContact O-CG 3.26Å; Y183-L185 PolarHBondContact O-N 3.13Å; Y183-L185 VanDerWaalsContact O-N 3.12Å; L185-P212 HydrophobicContact CD2-CG 4.25Å; L185-P212 WeakPolarHBondContact O-CD 3Å; L185-I290 WeakPolarHBondContact CD1-O 3.46Å; L185-L312 HydrophobicContact CB-CB 3.79Å; L185-L312 VanDerWaalsContact O-CD1 3.26Å; L185-L312 WeakPolarHBondContact O-CD1 3.47Å; L185-P314 HydrophobicContact CD1-CB 3.96Å | ||
| 186 | G | 89.9 | Confident | 86.6 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | trans | 87.3 | -165.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q184 R209 D210 L312 | Q184-G186 VanDerWaalsContact C-N 3.32Å; Q184-G186 PolarHBondContact O-N 2.83Å; G186-R209 CarbonylContact C-O 3.51Å; G186-R209 VanDerWaalsContact CA-O 3.24Å; G186-R209 WeakPolarHBondContact CA-O 3.26Å; G186-D210 WeakPolarHBondContact CA-O 3.11Å; G186-D210 PolarHBondContact N-O 3.31Å; G186-L312 PolarHBondContact O-N 3.3Å | ||
| 187 | M | 94.6 | Very high | 87.1 | Confident | 14 Ų | 14 | 58 Ų | 58 | 7% | 0.069 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 152.7 | 178.8 | -52.9 | -174 | 85.5 | 0 | 0 | 112.2 | D176 L180 A208 R209 W309 K310 | D176-M187 HydrophobicContact CB-CE 4.36Å; L180-M187 HydrophobicContact CD1-CE 4.17Å; L180-M187 HydrophobicContact CD1-CG 3.97Å; L180-M187 HydrophobicContact CD1-SD 3.78Å; L180-M187 HydrophobicContact CD2-CG 3.73Å; L180-M187 HydrophobicContact CG-CG 4.29Å; M187-A208 CarbonylContact O-C 3.56Å; M187-A208 VanDerWaalsContact O-CA 3.23Å; M187-A208 WeakPolarHBondContact O-CA 3.45Å; M187-A208 WeakPolarHBondContact O-CB 3.14Å; M187-R209 HydrophobicContact CB-CG 4.13Å; M187-R209 PolarHBondContact N-O 3Å; M187-R209 PolarHBondContact O-N 3.33Å; M187-R209 PolarHBondContact SD-NE 3.15Å; M187-R209 PolarHBondContact SD-NH2 2.9Å; M187-W309 HydrophobicContact CB-CE3 3.65Å; M187-W309 HydrophobicContact CB-CZ3 4.01Å; M187-W309 HydrophobicContact CE-CB 3.92Å; M187-W309 HydrophobicContact SD-CE3 4.45Å; M187-K310 CarbonylContact C-O 3.52Å; M187-K310 VanDerWaalsContact CA-O 3.28Å; M187-K310 WeakPolarHBondContact CA-O 3.01Å; M187-K310 WeakPolarHBondContact CB-O 3.21Å |
| 188 | L | 97.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 134.4 | 174.1 | -175.2 | 65.4 | 0 | 0 | 0 | 110.9 | F190 V205 A208 V231 L276 V278 V293 W309 K310 L312 | L188-F190 HydrophobicContact CD2-CD1 4.46Å; L188-F190 HydrophobicContact CG-CD1 4.28Å; L188-V205 HydrophobicContact CD1-CG1 4.23Å; L188-A208 HydrophobicContact CD1-CB 3.98Å; L188-V231 HydrophobicContact CD1-CG2 4.11Å; L188-V231 HydrophobicContact CD2-CG1 4.26Å; L188-L276 HydrophobicContact CD2-CB 3.66Å; L188-L276 HydrophobicContact CD2-CD1 3.69Å; L188-L276 HydrophobicContact CD2-CG 4.27Å; L188-V278 HydrophobicContact CD1-CG2 4.13Å; L188-V278 HydrophobicContact CD2-CG2 4.02Å; L188-V278 HydrophobicContact CG-CG2 4.49Å; L188-V293 HydrophobicContact CB-CG2 4.18Å; L188-V293 HydrophobicContact CD2-CG2 4.36Å; L188-W309 WeakPolarHBondContact O-CA 3.32Å; L188-K310 PolarHBondContact N-O 2.9Å; L188-K310 PolarHBondContact O-N 3.11Å; L188-L312 HydrophobicContact CB-CD2 4.4Å |
| 189 | H | 97.9 | Very high | 88.5 | Confident | 19 Ų | 19 | 56.3 Ų | 56.3 | 9% | 0.088 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 124.7 | 172.7 | -168.8 | -140.4 | 0 | 0 | 0 | 110.8 | I206 E207 H307 W308 W309 | H189-I206 HydrophobicContact CB-CB 4.33Å; H189-I206 WeakPolarHBondContact ND1-CD1 3.29Å; H189-I206 WeakPolarHBondContact ND1-CG2 3.42Å; H189-I206 WeakPolarHBondContact O-CB 3.47Å; H189-I206 PolarHBondContact O-N 2.89Å; H189-E207 WeakPolarHBondContact CA-O 3.29Å; H189-E207 HydrophobicContact CB-CG 3.89Å; H189-E207 WeakPolarHBondContact CB-O 3.41Å; H189-E207 PolarHBondContact N-O 2.69Å; H189-E207 PolarHBondContact O-N 3.22Å; H189-H307 AromaticContact CE1-ND1 3.5Å; H189-H307 PolarHBondContact CE1-ND1 3.08Å; H189-H307 AromaticContact NE2-CE1 3.93Å; H189-H307 AromaticContact NE2-CG 3.73Å; H189-H307 AromaticContact NE2-ND1 3.17Å; H189-H307 PolarHBondContact NE2-ND1 2.97Å; H189-H307 VanDerWaalsContact NE2-ND1 3.17Å; H189-W308 WeakPolarHBondContact CA-O 3.47Å; H189-W308 PolarHBondContact CD2-O 2.94Å; H189-W309 HydrophobicContact CB-CD2 3.77Å; H189-W309 HydrophobicContact CB-CE3 3.77Å; H189-W309 HydrophobicContact CB-CH2 3.72Å; H189-W309 HydrophobicContact CB-CZ2 3.69Å; H189-W309 HydrophobicContact CB-CZ3 3.74Å; H189-W309 AromaticContact CD2-CD1 3.63Å; H189-W309 AromaticContact CD2-CD2 3.99Å; H189-W309 AromaticContact CD2-CE2 3.78Å; H189-W309 AromaticContact CD2-CG 3.95Å; H189-W309 AromaticContact CD2-NE1 3.5Å; H189-W309 AromaticContact CG-CE2 3.69Å; H189-W309 AromaticContact CG-CZ2 3.94Å; H189-W309 AromaticContact CG-NE1 3.83Å; H189-W309 AromaticContact NE2-NE1 3.79Å |
| 190 | F | 97.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 161.3 | -179.3 | 62.3 | -79.4 | 0 | 0 | 0 | 110.5 | L188 T192 R204 L274 L276 V293 V295 H307 W308 K310 | L188-F190 HydrophobicContact CD2-CD1 4.46Å; L188-F190 HydrophobicContact CG-CD1 4.28Å; F190-T192 HydrophobicContact CD2-CG2 4.33Å; F190-R204 CarbonylContact C-O 3.47Å; F190-R204 WeakPolarHBondContact CA-O 3.21Å; F190-R204 VanDerWaalsContact CB-O 3.27Å; F190-R204 WeakPolarHBondContact CB-O 3.44Å; F190-L274 HydrophobicContact CD2-CD2 4.23Å; F190-L274 HydrophobicContact CE2-CD2 4.17Å; F190-L276 HydrophobicContact CB-CD1 3.89Å; F190-L276 HydrophobicContact CD1-CD1 3.59Å; F190-L276 HydrophobicContact CD2-CD1 3.67Å; F190-L276 HydrophobicContact CE1-CD1 4.04Å; F190-L276 HydrophobicContact CE2-CD1 4.1Å; F190-L276 HydrophobicContact CG-CD1 3.41Å; F190-L276 VanDerWaalsContact CG-CD1 3.41Å; F190-L276 HydrophobicContact CZ-CD1 4.28Å; F190-V293 HydrophobicContact CE1-CG1 3.94Å; F190-V293 HydrophobicContact CZ-CG1 4.1Å; F190-V295 HydrophobicContact CE2-CG2 4.12Å; F190-V295 HydrophobicContact CZ-CG2 3.72Å; F190-H307 CarbonylContact O-C 3.58Å; F190-H307 WeakPolarHBondContact O-CA 3.49Å; F190-H307 WeakPolarHBondContact O-CB 3.48Å; F190-W308 HydrophobicContact CD2-CE3 4.06Å; F190-W308 HydrophobicContact CE1-CB 4.39Å; F190-W308 AromaticContact CE2-CE3 3.61Å; F190-W308 HydrophobicContact CE2-CE3 3.61Å; F190-W308 HydrophobicContact CE2-CZ3 4.2Å; F190-W308 HydrophobicContact CZ-CB 4.19Å; F190-W308 HydrophobicContact CZ-CE3 4.14Å; F190-W308 PolarHBondContact N-O 2.94Å; F190-W308 PolarHBondContact O-N 3.4Å; F190-K310 HydrophobicContact CE1-CB 4.29Å; F190-K310 HydrophobicContact CE1-CG 4.32Å; F190-K310 HydrophobicContact CZ-CD 4.47Å; F190-K310 HydrophobicContact CZ-CG 4.45Å |
| 191 | S | 96.9 | Very high | 90.3 | Very high | 24 Ų | 24 | 54.7 Ų | 54.7 | 17% | 0.168 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 149.7 | 172.5 | 81.4 | 0 | 0 | 0 | 0 | 111.5 | V203 R204 G306 | S191-V203 CarbonylContact O-C 3.5Å; S191-V203 WeakPolarHBondContact O-CA 3.41Å; S191-R204 PolarHBondContact N-O 2.91Å; S191-R204 PolarHBondContact O-N 2.9Å; S191-R204 WeakPolarHBondContact OG-CB 3.22Å; S191-G306 CarbonylContact C-O 3.22Å; S191-G306 WeakPolarHBondContact CA-O 3.44Å; S191-G306 WeakPolarHBondContact CB-O 3.38Å |
| 192 | T | 96.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 142.4 | 171.1 | 68.8 | 0 | 0 | 0 | 0 | 109.9 | F190 T202 V203 L274 G305 G306 W308 | F190-T192 HydrophobicContact CD2-CG2 4.33Å; T192-T202 WeakPolarHBondContact CA-O 3.47Å; T192-V203 HydrophobicContact CG2-CG1 4.35Å; T192-V203 HydrophobicContact CG2-CG2 4.19Å; T192-L274 HydrophobicContact CG2-CD2 3.46Å; T192-L274 VanDerWaalsContact CG2-CD2 3.46Å; T192-G305 CarbonylContact O-C 3.58Å; T192-G305 WeakPolarHBondContact O-CA 3.38Å; T192-G306 PolarHBondContact N-O 3.36Å; T192-G306 PolarHBondContact O-N 2.62Å; T192-W308 HydrophobicContact CG2-CZ3 4.03Å; T192-W308 WeakPolarHBondContact OG1-CH2 3.34Å; T192-W308 VanDerWaalsContact OG1-CZ3 3.24Å; T192-W308 WeakPolarHBondContact OG1-CZ3 3.47Å |
| 193 | Q | 95.9 | Very high | 92.9 | Very high | 106 Ų | 106 | 47 Ų | 47 | 50% | 0.495 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 138.6 | 176.8 | -173.3 | 174 | 28.6 | 0 | 0 | 108.7 | T202 | Q193-T202 PolarHBondContact N-O 2.88Å; Q193-T202 WeakPolarHBondContact O-CA 3.4Å; Q193-T202 PolarHBondContact O-N 3.39Å |
| 194 | Y | 96.8 | Very high | 94.1 | Very high | 7 Ų | 7 | 47.2 Ų | 47.2 | 3% | 0.027 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 131.1 | 177.3 | -172 | -77.7 | 0 | 0 | 0 | 110.6 | L196 N199 L201 I264 F266 A269 L302 | Y194-L196 HydrophobicContact CD1-CD2 3.89Å; Y194-L196 HydrophobicContact CD1-CG 4.22Å; Y194-L196 HydrophobicContact CE1-CD2 3.89Å; Y194-L196 HydrophobicContact CE1-CG 4.5Å; Y194-N199 VanDerWaalsContact OH-CA 3.32Å; Y194-N199 WeakPolarHBondContact OH-CA 3.15Å; Y194-N199 PolarHBondContact OH-OD1 3.34Å; Y194-L201 HydrophobicContact CD2-CB 4.02Å; Y194-L201 HydrophobicContact CD2-CD1 4.45Å; Y194-I264 VanDerWaalsContact CE2-O 3.26Å; Y194-I264 WeakPolarHBondContact CE2-O 3.48Å; Y194-I264 PolarHBondContact OH-O 3.01Å; Y194-F266 HydrophobicContact CD1-CB 4.43Å; Y194-F266 AromaticContact CD1-CD2 3.65Å; Y194-F266 HydrophobicContact CD1-CD2 3.65Å; Y194-F266 HydrophobicContact CD1-CE2 4.47Å; Y194-F266 HydrophobicContact CD2-CD2 4.24Å; Y194-F266 HydrophobicContact CE1-CB 3.85Å; Y194-F266 AromaticContact CE1-CD2 3.95Å; Y194-F266 HydrophobicContact CE1-CD2 3.95Å; Y194-F266 HydrophobicContact CE1-CG 4.4Å; Y194-F266 HydrophobicContact CE2-CB 4.27Å; Y194-F266 HydrophobicContact CE2-CD2 4.49Å; Y194-F266 AromaticContact CG-CD2 3.82Å; Y194-F266 HydrophobicContact CG-CD2 3.82Å; Y194-F266 HydrophobicContact CG-CE2 4.49Å; Y194-F266 PolarHBondContact OH-N 3.23Å; Y194-A269 HydrophobicContact CD2-CB 3.96Å; Y194-A269 HydrophobicContact CE2-CB 3.98Å; Y194-L302 PolarHBondContact N-O 3.15Å |
| 195 | D | 94.8 | Very high | 94.9 | Very high | 50 Ų | 50 | 40.3 Ų | 40.3 | 27% | 0.267 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 108.5 | 174 | -170.4 | -32.8 | 0 | 0 | 0 | 110.1 | L197 H198 N199 H200 | D195-L197 VanDerWaalsContact C-N 3.31Å; D195-L197 PolarHBondContact O-N 3.05Å; D195-L197 WeakPolarHBondContact OD1-CA 3.37Å; D195-L197 WeakPolarHBondContact OD1-CB 3.37Å; D195-L197 PolarHBondContact OD1-N 3.12Å; D195-H198 HydrophobicContact CB-CB 4.37Å; D195-H198 VanDerWaalsContact CG-ND1 3.3Å; D195-H198 IonicContact OD1-CG 2.63Å; D195-H198 PolarHBondContact OD1-N 2.98Å; D195-H198 IonicContact OD1-ND1 3.87Å; D195-H198 PolarHBondContact OD1-ND1 3.43Å; D195-H198 IonicContact OD2-CE1 3.42Å; D195-H198 IonicContact OD2-CG 3.42Å; D195-H198 IonicContact OD2-ND1 2.72Å; D195-H198 PolarHBondContact OD2-ND1 3.31Å; D195-N199 WeakPolarHBondContact O-CA 3.46Å; D195-N199 PolarHBondContact O-N 3.06Å; D195-H200 PolarHBondContact N-O 2.8Å; D195-H200 PolarHBondContact O-N 2.88Å; D195-H200 IonicContact OD2-CE1 2.85Å |
| 196 | L | 92.1 | Very high | 95.6 | Very high | 90 Ų | 90 | 39.3 Ų | 39.3 | 47% | 0.471 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -22.9 | 178.7 | -69 | 172.5 | 0 | 0 | 0 | 113.8 | Y194 F266 V303 | Y194-L196 HydrophobicContact CD1-CD2 3.89Å; Y194-L196 HydrophobicContact CD1-CG 4.22Å; Y194-L196 HydrophobicContact CE1-CD2 3.89Å; Y194-L196 HydrophobicContact CE1-CG 4.5Å; L196-F266 HydrophobicContact CD2-CB 4.33Å; L196-F266 HydrophobicContact CD2-CD2 3.82Å; L196-F266 HydrophobicContact CD2-CE2 4.34Å; L196-F266 HydrophobicContact CD2-CG 4.09Å; L196-V303 HydrophobicContact CD1-CG1 3.96Å; L196-V303 HydrophobicContact CD1-CG2 4.08Å |
| 197 | L | 92.8 | Very high | 95.9 | Very high | 150 Ų | 150 | 42.5 Ų | 42.5 | 79% | 0.785 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -38.9 | 179.1 | -60 | 174.9 | 0 | 0 | 0 | 110.8 | D195 | D195-L197 VanDerWaalsContact C-N 3.31Å; D195-L197 PolarHBondContact O-N 3.05Å; D195-L197 WeakPolarHBondContact OD1-CA 3.37Å; D195-L197 WeakPolarHBondContact OD1-CB 3.37Å; D195-L197 PolarHBondContact OD1-N 3.12Å |
| 198 | H | 91.4 | Very high | 96 | Very high | 126 Ų | 126 | 41.9 Ų | 41.9 | 58% | 0.583 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | 6.8 | -175 | -57.7 | 106.7 | 0 | 0 | 0 | 114.2 | D195 H200 | D195-H198 HydrophobicContact CB-CB 4.37Å; D195-H198 VanDerWaalsContact CG-ND1 3.3Å; D195-H198 IonicContact OD1-CG 2.63Å; D195-H198 PolarHBondContact OD1-N 2.98Å; D195-H198 IonicContact OD1-ND1 3.87Å; D195-H198 PolarHBondContact OD1-ND1 3.43Å; D195-H198 IonicContact OD2-CE1 3.42Å; D195-H198 IonicContact OD2-CG 3.42Å; D195-H198 IonicContact OD2-ND1 2.72Å; D195-H198 PolarHBondContact OD2-ND1 3.31Å; H198-H200 WeakPolarHBondContact CB-CE1 3.29Å; H198-H200 VanDerWaalsContact CB-ND1 3.29Å; H198-H200 WeakPolarHBondContact CB-ND1 3.4Å; H198-H200 PolarHBondContact O-N 3.22Å; H198-H200 PolarHBondContact O-ND1 2.94Å |
| 199 | N | 93.8 | Very high | 95.8 | Very high | 93 Ų | 93 | 46.6 Ų | 46.6 | 50% | 0.497 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | 49.7 | 177.2 | -72.5 | -56.6 | 0 | 0 | 0 | 115.3 | Y194 D195 | Y194-N199 VanDerWaalsContact OH-CA 3.32Å; Y194-N199 WeakPolarHBondContact OH-CA 3.15Å; Y194-N199 PolarHBondContact OH-OD1 3.34Å; D195-N199 WeakPolarHBondContact O-CA 3.46Å; D195-N199 PolarHBondContact O-N 3.06Å |
| 200 | H | 94.9 | Very high | 95.4 | Very high | 34 Ų | 34 | 49.8 Ų | 49.8 | 16% | 0.157 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 147.1 | 176.2 | 66.6 | -97.8 | 0 | 0 | 0 | 113.4 | D195 H198 T202 F262 | D195-H200 PolarHBondContact N-O 2.8Å; D195-H200 PolarHBondContact O-N 2.88Å; D195-H200 IonicContact OD2-CE1 2.85Å; H198-H200 WeakPolarHBondContact CB-CE1 3.29Å; H198-H200 VanDerWaalsContact CB-ND1 3.29Å; H198-H200 WeakPolarHBondContact CB-ND1 3.4Å; H198-H200 PolarHBondContact O-N 3.22Å; H198-H200 PolarHBondContact O-ND1 2.94Å; H200-T202 PolarHBondContact CD2-OG1 3.03Å; H200-F262 CarbonylContact C-O 3.6Å; H200-F262 WeakPolarHBondContact CA-O 3.47Å; H200-F262 WeakPolarHBondContact CB-O 3.47Å |
| 201 | L | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 120.8 | 169.7 | 177.9 | 68.6 | 0 | 0 | 0 | 109.6 | Y194 V203 L235 T261 F262 I264 L297 L302 | Y194-L201 HydrophobicContact CD2-CB 4.02Å; Y194-L201 HydrophobicContact CD2-CD1 4.45Å; L201-V203 HydrophobicContact CD2-CG2 4.2Å; L201-V203 HydrophobicContact CG-CG2 4.21Å; L201-L235 HydrophobicContact CD2-CD1 4.11Å; L201-L235 HydrophobicContact CD2-CD2 4.07Å; L201-T261 CarbonylContact O-C 3.45Å; L201-T261 WeakPolarHBondContact O-CA 3.49Å; L201-F262 HydrophobicContact CB-CB 4.41Å; L201-F262 PolarHBondContact N-O 2.81Å; L201-F262 PolarHBondContact O-N 3.33Å; L201-I264 HydrophobicContact CB-CD1 4.23Å; L201-I264 HydrophobicContact CB-CG1 4.29Å; L201-I264 HydrophobicContact CD2-CD1 4.32Å; L201-L297 HydrophobicContact CD2-CD1 3.48Å; L201-L297 VanDerWaalsContact CD2-CD1 3.48Å; L201-L302 HydrophobicContact CD1-CD2 3.83Å |
| 202 | T | 96.6 | Very high | 94.3 | Very high | 34 Ų | 34 | 50.8 Ų | 50.8 | 21% | 0.209 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 127.8 | 168.7 | -64.2 | 0 | 0 | 0 | 0 | 110.3 | T192 Q193 H200 Y260 | T192-T202 WeakPolarHBondContact CA-O 3.47Å; Q193-T202 PolarHBondContact N-O 2.88Å; Q193-T202 WeakPolarHBondContact O-CA 3.4Å; Q193-T202 PolarHBondContact O-N 3.39Å; H200-T202 PolarHBondContact CD2-OG1 3.03Å; T202-Y260 CarbonylContact C-O 3.59Å; T202-Y260 WeakPolarHBondContact CA-O 3.43Å |
| 203 | V | 97.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 123.4 | 170.4 | -176.4 | 0 | 0 | 0 | 0 | 108.3 | S191 T192 L201 I233 Y260 F262 L274 L276 | S191-V203 CarbonylContact O-C 3.5Å; S191-V203 WeakPolarHBondContact O-CA 3.41Å; T192-V203 HydrophobicContact CG2-CG1 4.35Å; T192-V203 HydrophobicContact CG2-CG2 4.19Å; L201-V203 HydrophobicContact CD2-CG2 4.2Å; L201-V203 HydrophobicContact CG-CG2 4.21Å; V203-I233 HydrophobicContact CB-CG2 4.5Å; V203-I233 HydrophobicContact CG1-CG2 4.19Å; V203-Y260 PolarHBondContact N-O 2.72Å; V203-Y260 PolarHBondContact O-N 3.27Å; V203-F262 HydrophobicContact CB-CE2 4.39Å; V203-F262 HydrophobicContact CG2-CD2 4.17Å; V203-F262 HydrophobicContact CG2-CE2 4Å; V203-L274 HydrophobicContact CG1-CD1 4.27Å; V203-L274 HydrophobicContact CG1-CD2 3.98Å; V203-L274 HydrophobicContact CG2-CD1 4.2Å; V203-L274 HydrophobicContact CG2-CD2 4.27Å; V203-L276 HydrophobicContact CG1-CD2 4.48Å |
| 204 | R | 97.8 | Very high | 92 | Very high | 63 Ų | 63 | 49.8 Ų | 49.8 | 24% | 0.238 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 123.6 | 174.4 | -177.6 | -175.7 | 178.2 | -164.7 | -3.2 | 108.9 | F190 S191 I206 E257 E258 R259 | F190-R204 CarbonylContact C-O 3.47Å; F190-R204 WeakPolarHBondContact CA-O 3.21Å; F190-R204 VanDerWaalsContact CB-O 3.27Å; F190-R204 WeakPolarHBondContact CB-O 3.44Å; S191-R204 PolarHBondContact N-O 2.91Å; S191-R204 PolarHBondContact O-N 2.9Å; S191-R204 WeakPolarHBondContact OG-CB 3.22Å; R204-I206 HydrophobicContact CG-CG1 3.8Å; R204-E257 IonicContact CZ-OE1 3.74Å; R204-E257 IonicContact CZ-OE2 2.81Å; R204-E257 IonicContact NE-OE2 3.96Å; R204-E257 PolarHBondContact NE-OE2 1.79Å; R204-E257 IonicContact NH2-OE1 3.36Å; R204-E257 PolarHBondContact NH2-OE1 2.96Å; R204-E257 IonicContact NH2-OE2 2.74Å; R204-E257 PolarHBondContact NH2-OE2 2.86Å; R204-E258 CarbonylContact C-O 3.52Å; R204-E258 VanDerWaalsContact CA-O 3.3Å; R204-E258 WeakPolarHBondContact CA-O 3.42Å; R204-R259 HydrophobicContact CB-CG 3.99Å; R204-R259 HydrophobicContact CG-CG 3.79Å |
| 205 | V | 97.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 116.2 | 168.2 | -175 | 0 | 0 | 0 | 0 | 106.5 | L188 V231 I233 T245 F256 E257 E258 Y260 L276 | L188-V205 HydrophobicContact CD1-CG1 4.23Å; V205-V231 HydrophobicContact CG1-CB 4.08Å; V205-V231 HydrophobicContact CG1-CG1 4.39Å; V205-V231 HydrophobicContact CG1-CG2 3.79Å; V205-V231 HydrophobicContact CG2-CG1 4.4Å; V205-I233 HydrophobicContact CG2-CD1 4.09Å; V205-I233 HydrophobicContact CG2-CG1 3.9Å; V205-T245 HydrophobicContact CB-CG2 4.04Å; V205-T245 HydrophobicContact CG1-CG2 4.16Å; V205-T245 HydrophobicContact CG2-CG2 4.16Å; V205-F256 HydrophobicContact CB-CB 4.35Å; V205-F256 HydrophobicContact CG1-CB 3.99Å; V205-F256 HydrophobicContact CG1-CD2 3.67Å; V205-F256 HydrophobicContact CG1-CE2 4.39Å; V205-F256 HydrophobicContact CG1-CG 3.92Å; V205-F256 WeakPolarHBondContact O-CB 3.47Å; V205-E257 WeakPolarHBondContact O-CA 3.45Å; V205-E257 PolarHBondContact O-N 2.97Å; V205-E257 VanDerWaalsContact O-N 3.12Å; V205-E258 PolarHBondContact N-O 2.96Å; V205-E258 PolarHBondContact O-N 2.85Å; V205-Y260 HydrophobicContact CG2-CE2 4.45Å; V205-L276 HydrophobicContact CG2-CD2 4.42Å |
| 206 | I | 97.7 | Very high | 88 | Confident | 12 Ų | 12 | 55.8 Ų | 55.8 | 6% | 0.062 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | -68.3 | -169.5 | -57 | 169.7 | 0 | 0 | 0 | 109 | H189 R204 F256 E257 H307 | H189-I206 HydrophobicContact CB-CB 4.33Å; H189-I206 WeakPolarHBondContact ND1-CD1 3.29Å; H189-I206 WeakPolarHBondContact ND1-CG2 3.42Å; H189-I206 WeakPolarHBondContact O-CB 3.47Å; H189-I206 PolarHBondContact O-N 2.89Å; R204-I206 HydrophobicContact CG-CG1 3.8Å; I206-F256 WeakPolarHBondContact O-CA 3.45Å; I206-F256 PolarHBondContact O-N 2.85Å; I206-E257 PolarHBondContact O-N 3.03Å; I206-H307 HydrophobicContact CD1-CB 4.45Å |
| 207 | E | 97.5 | Very high | 86 | Confident | 69 Ų | 69 | 55.5 Ų | 55.5 | 32% | 0.322 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 167.9 | -178.5 | 59.8 | 178.7 | -159.6 | 0 | 0 | 111.5 | H189 P254 V255 W309 | H189-E207 WeakPolarHBondContact CA-O 3.29Å; H189-E207 HydrophobicContact CB-CG 3.89Å; H189-E207 WeakPolarHBondContact CB-O 3.41Å; H189-E207 PolarHBondContact N-O 2.69Å; H189-E207 PolarHBondContact O-N 3.22Å; E207-P254 CarbonylContact C-O 3.52Å; E207-P254 WeakPolarHBondContact CA-O 3.26Å; E207-P254 WeakPolarHBondContact CB-O 3.48Å; E207-V255 HydrophobicContact CB-CG2 4.27Å; E207-W309 HydrophobicContact CG-CH2 3.79Å; E207-W309 HydrophobicContact CG-CZ2 4.08Å; E207-W309 WeakPolarHBondContact OE1-CH2 3.22Å; E207-W309 WeakPolarHBondContact OE1-CZ2 3.29Å |
| 208 | A | 97.1 | Very high | 83.9 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 2% | 0.017 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 154.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | M187 L188 L211 K253 P254 F256 | M187-A208 CarbonylContact O-C 3.56Å; M187-A208 VanDerWaalsContact O-CA 3.23Å; M187-A208 WeakPolarHBondContact O-CA 3.45Å; M187-A208 WeakPolarHBondContact O-CB 3.14Å; L188-A208 HydrophobicContact CD1-CB 3.98Å; A208-L211 HydrophobicContact CB-CD1 4.09Å; A208-L211 HydrophobicContact CB-CD2 4.11Å; A208-L211 HydrophobicContact CB-CG 4.21Å; A208-K253 CarbonylContact O-C 3.54Å; A208-K253 WeakPolarHBondContact O-CA 3.38Å; A208-P254 HydrophobicContact CB-CG 3.82Å; A208-P254 PolarHBondContact N-O 2.97Å; A208-P254 WeakPolarHBondContact O-CD 3.21Å; A208-F256 HydrophobicContact CB-CE2 4.38Å |
| 209 | R | 93.4 | Very high | 81.9 | Confident | 99 Ų | 99 | 48.9 Ų | 48.9 | 37% | 0.374 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 151.4 | 179.3 | 72.1 | -175.3 | 179.2 | -170.8 | 4.9 | 112 | G186 M187 L211 W309 | G186-R209 CarbonylContact C-O 3.51Å; G186-R209 VanDerWaalsContact CA-O 3.24Å; G186-R209 WeakPolarHBondContact CA-O 3.26Å; M187-R209 HydrophobicContact CB-CG 4.13Å; M187-R209 PolarHBondContact N-O 3Å; M187-R209 PolarHBondContact O-N 3.33Å; M187-R209 PolarHBondContact SD-NE 3.15Å; M187-R209 PolarHBondContact SD-NH2 2.9Å; R209-L211 PolarHBondContact O-N 2.98Å; R209-W309 HydrophobicContact CB-CH2 4.12Å; R209-W309 HydrophobicContact CB-CZ3 4.15Å; R209-W309 HydrophobicContact CG-CE3 4.37Å; R209-W309 HydrophobicContact CG-CH2 3.89Å; R209-W309 HydrophobicContact CG-CZ3 3.56Å |
| 210 | D | 88.4 | Confident | 79.8 | Confident | 85 Ų | 85 | 48.7 Ų | 48.7 | 46% | 0.455 | 27% | 0.274 | S | S | . | . | S | Bend | trans | 55.7 | 38.1 | 170.9 | -49.8 | -50.3 | 0 | 0 | 0 | 112.6 | G186 Q252 K253 | G186-D210 WeakPolarHBondContact CA-O 3.11Å; G186-D210 PolarHBondContact N-O 3.31Å; D210-Q252 PolarHBondContact N-O 2.89Å; D210-K253 WeakPolarHBondContact OD1-CE 3.42Å; D210-K253 IonicContact OD1-NZ 3.94Å; D210-K253 PolarHBondContact OD1-NZ 3.39Å |
| 211 | L | 89.7 | Confident | 77.8 | Confident | 8 Ų | 8 | 54.4 Ų | 54.4 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 144.8 | 173 | -60.3 | -178.6 | 0 | 0 | 0 | 110.5 | A208 R209 P229 Q252 P254 V278 I290 L312 | A208-L211 HydrophobicContact CB-CD1 4.09Å; A208-L211 HydrophobicContact CB-CD2 4.11Å; A208-L211 HydrophobicContact CB-CG 4.21Å; R209-L211 PolarHBondContact O-N 2.98Å; L211-P229 HydrophobicContact CD1-CB 3.85Å; L211-P229 HydrophobicContact CD1-CG 3.96Å; L211-Q252 HydrophobicContact CB-CB 4.3Å; L211-Q252 PolarHBondContact N-O 2.84Å; L211-Q252 WeakPolarHBondContact O-CB 3.37Å; L211-Q252 WeakPolarHBondContact O-CG 3.41Å; L211-Q252 PolarHBondContact O-OE1 2.74Å; L211-P254 HydrophobicContact CD1-CG 3.87Å; L211-V278 HydrophobicContact CD1-CG1 4.32Å; L211-V278 HydrophobicContact CD2-CG1 4.4Å; L211-I290 HydrophobicContact CD1-CD1 4.37Å; L211-I290 HydrophobicContact CD2-CG2 4.28Å; L211-L312 HydrophobicContact CD2-CD1 3.43Å; L211-L312 VanDerWaalsContact CD2-CD1 3.43Å |
| 212 | P | 82.4 | Confident | 75.6 | Confident | 37 Ų | 37 | 62 Ų | 62 | 24% | 0.24 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 154.6 | 178.1 | 28.9 | -36.2 | 0 | 0 | 0 | 112.3 | L185 S227 Q252 I290 | L185-P212 HydrophobicContact CD2-CG 4.25Å; L185-P212 WeakPolarHBondContact O-CD 3Å; P212-S227 PolarHBondContact O-OG 3.17Å; P212-S227 VanDerWaalsContact O-OG 3.06Å; P212-Q252 VanDerWaalsContact O-CD 3.3Å; P212-Q252 PolarHBondContact O-NE2 2.83Å; P212-Q252 PolarHBondContact O-OE1 3.19Å; P212-I290 HydrophobicContact CG-CG2 3.77Å |
| 213 | P | 76.6 | Confident | 73.5 | Confident | 77 Ų | 77 | 65.9 Ų | 65.9 | 50% | 0.5 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 155.2 | 167.6 | 26.4 | -34.5 | 0 | 0 | 0 | 111.9 | I215 | P213-I215 PolarHBondContact O-N 3.32Š|
| 214 | P | 67.6 | Low | 71.7 | Confident | 10 Ų | 10 | 68.7 Ų | 68.7 | 7% | 0.065 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -52.6 | 138.6 | 174.1 | -27.2 | 37 | 0 | 0 | 0 | 111.1 | S216 H217 M224 S227 D280 | P214-S216 PolarHBondContact O-N 2.69Å; P214-S216 VanDerWaalsContact O-N 3.1Å; P214-H217 VanDerWaalsContact O-CB 3.27Å; P214-H217 WeakPolarHBondContact O-CB 3.43Å; P214-H217 PolarHBondContact O-N 3.21Å; P214-M224 WeakPolarHBondContact CD-O 3.41Å; P214-M224 WeakPolarHBondContact CG-O 3.41Å; P214-S227 WeakPolarHBondContact CD-OG 3.44Å; P214-D280 WeakPolarHBondContact CB-OD2 3.45Å |
| 215 | I | 56.5 | Low | 70 | Confident | 138 Ų | 138 | 66.6 Ų | 66.6 | 71% | 0.708 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -23.8 | 177.3 | -59.4 | 170.4 | 0 | 0 | 0 | 110.7 | P213 H217 C288 | P213-I215 PolarHBondContact O-N 3.32Å; I215-H217 VanDerWaalsContact C-N 3.26Å; I215-H217 PolarHBondContact O-N 2.8Å; I215-C288 HydrophobicContact CD1-CB 4.46Å |
| 216 | S | 50.7 | Low | 68.7 | Low | 44 Ų | 44 | 70.9 Ų | 70.9 | 31% | 0.308 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 17.7 | 174.9 | 56.1 | 0 | 0 | 0 | 0 | 115.1 | P214 D218 | P214-S216 PolarHBondContact O-N 2.69Å; P214-S216 VanDerWaalsContact O-N 3.1Å; S216-D218 PolarHBondContact O-N 2.96Å |
| 217 | H | 49.9 | Very low | 68 | Low | 84 Ų | 84 | 70.3 Ų | 70.3 | 39% | 0.389 | 38% | 0.376 | S | S | . | . | trans | -69.5 | 85.1 | -179.7 | -175.8 | -95.7 | 0 | 0 | 0 | 113.3 | P214 I215 | P214-H217 VanDerWaalsContact O-CB 3.27Å; P214-H217 WeakPolarHBondContact O-CB 3.43Å; P214-H217 PolarHBondContact O-N 3.21Å; I215-H217 VanDerWaalsContact C-N 3.26Å; I215-H217 PolarHBondContact O-N 2.8Å | ||
| 218 | D | 48 | Very low | 67.6 | Low | 75 Ų | 75 | 68.9 Ų | 68.9 | 40% | 0.401 | 37% | 0.371 | S | S | . | . | trans | -73 | 120.2 | 160.3 | 174.4 | 15.8 | 0 | 0 | 0 | 109.8 | S216 S220 R221 | S216-D218 PolarHBondContact O-N 2.96Å; D218-S220 VanDerWaalsContact CG-OG 3.3Å; D218-S220 PolarHBondContact O-N 3.43Å; D218-S220 PolarHBondContact OD1-N 3.26Å; D218-S220 WeakPolarHBondContact OD2-CB 3.21Å; D218-S220 PolarHBondContact OD2-OG 3.22Å; D218-R221 PolarHBondContact O-N 2.93Å | ||
| 219 | G | 49.4 | Very low | 67.5 | Low | 63 Ų | 63 | 68.8 Ų | 68.8 | 65% | 0.649 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -8.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 220 | S | 50 | Low | 67.6 | Low | 88 Ų | 88 | 65.4 Ų | 65.4 | 62% | 0.615 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -16.6 | 170.1 | 89.5 | 0 | 0 | 0 | 0 | 114.2 | D218 | D218-S220 VanDerWaalsContact CG-OG 3.3Å; D218-S220 PolarHBondContact O-N 3.43Å; D218-S220 PolarHBondContact OD1-N 3.26Å; D218-S220 WeakPolarHBondContact OD2-CB 3.21Å; D218-S220 PolarHBondContact OD2-OG 3.22Å |
| 221 | R | 52.5 | Low | 68 | Low | 154 Ų | 154 | 61.3 Ų | 61.3 | 58% | 0.581 | 34% | 0.336 | S | S | * | . | trans | -123.2 | 86.9 | -172.1 | -64.3 | -174.8 | -176.8 | -175.1 | 1.5 | 112.7 | D218 D223 M224 | D218-R221 PolarHBondContact O-N 2.93Å; R221-D223 PolarHBondContact O-N 2.79Å; R221-M224 PolarHBondContact O-N 2.89Å | ||
| 222 | Q | 51.4 | Low | 68.2 | Low | 159 Ų | 159 | 65.1 Ų | 65.1 | 74% | 0.743 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -51.1 | -28.7 | 176.5 | -154.3 | 72.9 | 42.8 | 0 | 0 | 114 | M224 A225 | Q222-M224 PolarHBondContact O-N 3.19Å; Q222-A225 WeakPolarHBondContact O-CB 3.41Å; Q222-A225 PolarHBondContact O-N 2.88Å |
| 223 | D | 52.3 | Low | 68.9 | Low | 116 Ų | 116 | 63.3 Ų | 63.3 | 62% | 0.62 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -63 | -19.4 | 176.3 | -87.7 | -54.3 | 0 | 0 | 0 | 115.1 | R221 K250 | R221-D223 PolarHBondContact O-N 2.79Å; D223-K250 IonicContact OD1-NZ 3.65Å; D223-K250 PolarHBondContact OD1-NZ 3.42Å |
| 224 | M | 58.1 | Low | 69.7 | Low | 59 Ų | 59 | 60 Ų | 60 | 29% | 0.291 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -101.3 | 8.9 | 179.5 | -72.2 | 178.2 | 136.2 | 0 | 0 | 113.5 | P214 R221 Q222 H226 | P214-M224 WeakPolarHBondContact CD-O 3.41Å; P214-M224 WeakPolarHBondContact CG-O 3.41Å; R221-M224 PolarHBondContact O-N 2.89Å; Q222-M224 PolarHBondContact O-N 3.19Å; M224-H226 PolarHBondContact O-N 2.82Å; M224-H226 VanDerWaalsContact O-N 3.11Å |
| 225 | A | 62.6 | Low | 70.9 | Confident | 20 Ų | 20 | 60 Ų | 60 | 17% | 0.165 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -66.9 | -5.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q222 | Q222-A225 WeakPolarHBondContact O-CB 3.41Å; Q222-A225 PolarHBondContact O-N 2.88Å |
| 226 | H | 71.4 | Confident | 72.4 | Confident | 89 Ų | 89 | 55.5 Ų | 55.5 | 41% | 0.412 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -138.3 | 131.8 | -171.4 | -55.2 | -54.3 | 0 | 0 | 0 | 112.1 | M224 K250 | M224-H226 PolarHBondContact O-N 2.82Å; M224-H226 VanDerWaalsContact O-N 3.11Å; H226-K250 VanDerWaalsContact CB-C 3.43Å; H226-K250 VanDerWaalsContact CB-CA 3.46Å; H226-K250 HydrophobicContact CB-CB 3.89Å; H226-K250 HydrophobicContact CB-CG 4.45Å |
| 227 | S | 82.3 | Confident | 73.8 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.007 | 32% | 0.315 | C | S | . | . | trans | -69.4 | 158.4 | 176.6 | -51.1 | 0 | 0 | 0 | 0 | 111.1 | P212 P214 P229 K250 T251 Q252 D280 | P212-S227 PolarHBondContact O-OG 3.17Å; P212-S227 VanDerWaalsContact O-OG 3.06Å; P214-S227 WeakPolarHBondContact CD-OG 3.44Å; S227-P229 VanDerWaalsContact O-CD 3.23Å; S227-P229 WeakPolarHBondContact O-CD 3.44Å; S227-K250 CarbonylContact O-C 3.5Å; S227-K250 VanDerWaalsContact O-CA 3.31Å; S227-K250 WeakPolarHBondContact O-CA 3.4Å; S227-K250 PolarHBondContact O-N 2.83Å; S227-K250 VanDerWaalsContact O-N 3.13Å; S227-T251 PolarHBondContact O-N 2.6Å; S227-Q252 PolarHBondContact OG-NE2 2.8Å; S227-Q252 PolarHBondContact OG-OE1 3.34Å; S227-D280 WeakPolarHBondContact CA-OD1 3.16Å | ||
| 228 | N | 90.1 | Very high | 75 | Confident | 39 Ų | 39 | 56.9 Ų | 56.9 | 21% | 0.209 | 31% | 0.308 | C | S | . | . | trans | -113 | 64.5 | 170.4 | -51.4 | -73.2 | 0 | 0 | 0 | 109.5 | V247 K248 R249 K250 D280 F281 | N228-V247 HydrophobicContact CB-CG1 3.83Å; N228-V247 WeakPolarHBondContact O-CG1 3.34Å; N228-K248 CarbonylContact C-O 3.59Å; N228-K248 VanDerWaalsContact C-O 3.22Å; N228-K248 WeakPolarHBondContact CA-O 3.26Å; N228-R249 VanDerWaalsContact OD1-CA 3.31Å; N228-R249 WeakPolarHBondContact OD1-CA 3.39Å; N228-K250 PolarHBondContact OD1-N 3.25Å; N228-D280 PolarHBondContact N-OD1 2.98Å; N228-F281 HydrophobicContact CB-CB 4.03Å; N228-F281 WeakPolarHBondContact CB-O 3.45Å; N228-F281 PolarHBondContact ND2-O 2.82Å; N228-F281 VanDerWaalsContact ND2-O 3.13Å; N228-F281 VanDerWaalsContact O-CB 3.29Å; N228-F281 WeakPolarHBondContact O-CB 3.27Å; N228-F281 PolarHBondContact O-N 2.84Å | ||
| 229 | P | 93.3 | Very high | 76 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 143.7 | -170.2 | 28.4 | -38.4 | 0 | 0 | 0 | 113.4 | L211 S227 K248 T251 P254 F256 V278 V279 I290 | L211-P229 HydrophobicContact CD1-CB 3.85Å; L211-P229 HydrophobicContact CD1-CG 3.96Å; S227-P229 VanDerWaalsContact O-CD 3.23Å; S227-P229 WeakPolarHBondContact O-CD 3.44Å; P229-K248 VanDerWaalsContact CD-O 3.25Å; P229-K248 WeakPolarHBondContact CD-O 3.49Å; P229-K248 PolarHBondContact O-N 3.12Å; P229-T251 VanDerWaalsContact CD-O 3.3Å; P229-T251 WeakPolarHBondContact CD-O 3.28Å; P229-T251 HydrophobicContact CG-CG2 4.32Å; P229-P254 HydrophobicContact CB-CG 4.15Å; P229-P254 HydrophobicContact CG-CB 3.65Å; P229-P254 HydrophobicContact CG-CG 3.5Å; P229-F256 HydrophobicContact CB-CZ 4.32Å; P229-V278 HydrophobicContact CB-CG1 4.38Å; P229-V279 CarbonylContact C-O 3.52Å; P229-V279 WeakPolarHBondContact CA-O 3.18Å; P229-I290 HydrophobicContact CB-CD1 4.38Å |
| 230 | Y | 96.3 | Very high | 76.9 | Confident | 27 Ų | 27 | 65.8 Ų | 65.8 | 11% | 0.106 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 162.5 | 162.2 | 73.9 | -80.5 | 0 | 0 | 0 | 109.9 | Q244 T245 V247 V279 F281 H287 | Y230-Q244 HydrophobicContact CD2-CB 4.37Å; Y230-T245 WeakPolarHBondContact CA-OG1 3.45Å; Y230-V247 HydrophobicContact CD1-CG2 4.13Å; Y230-V247 HydrophobicContact CG-CG2 4.24Å; Y230-V279 HydrophobicContact CD1-CB 4.12Å; Y230-V279 VanDerWaalsContact CD1-O 3.25Å; Y230-V279 WeakPolarHBondContact CD1-O 3.42Å; Y230-V279 HydrophobicContact CE1-CB 3.61Å; Y230-V279 HydrophobicContact CE1-CG1 3.79Å; Y230-V279 HydrophobicContact CE2-CB 4.32Å; Y230-V279 PolarHBondContact N-O 2.93Å; Y230-V279 PolarHBondContact O-N 2.87Å; Y230-F281 HydrophobicContact CD1-CB 3.99Å; Y230-F281 HydrophobicContact CE1-CB 4.15Å; Y230-H287 HydrophobicContact CE1-CB 4.41Å; Y230-H287 AromaticContact CE1-ND1 3.51Å; Y230-H287 AromaticContact CZ-ND1 3.56Å; Y230-H287 PolarHBondContact OH-ND1 3.09Å |
| 231 | V | 96.9 | Very high | 78.2 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 129.2 | -179.1 | -171.3 | 0 | 0 | 0 | 0 | 109.9 | L188 V205 I233 Q244 T245 F256 L276 T277 V278 | L188-V231 HydrophobicContact CD1-CG2 4.11Å; L188-V231 HydrophobicContact CD2-CG1 4.26Å; V205-V231 HydrophobicContact CG1-CB 4.08Å; V205-V231 HydrophobicContact CG1-CG1 4.39Å; V205-V231 HydrophobicContact CG1-CG2 3.79Å; V205-V231 HydrophobicContact CG2-CG1 4.4Å; V231-I233 WeakPolarHBondContact O-CD1 3.15Å; V231-Q244 CarbonylContact O-C 3.55Å; V231-Q244 VanDerWaalsContact O-CA 3.25Å; V231-Q244 WeakPolarHBondContact O-CA 3.49Å; V231-T245 HydrophobicContact CB-CG2 3.97Å; V231-T245 PolarHBondContact N-OG1 3.22Å; V231-T245 PolarHBondContact O-N 2.67Å; V231-F256 HydrophobicContact CG2-CD2 4.26Å; V231-F256 HydrophobicContact CG2-CE1 4.32Å; V231-F256 HydrophobicContact CG2-CE2 3.72Å; V231-F256 HydrophobicContact CG2-CZ 3.76Å; V231-L276 HydrophobicContact CG1-CB 4.14Å; V231-L276 HydrophobicContact CG1-CD2 4.24Å; V231-T277 CarbonylContact C-O 3.52Å; V231-T277 WeakPolarHBondContact CA-O 3.35Å; V231-V278 HydrophobicContact CG2-CG2 4.16Å |
| 232 | K | 94.9 | Very high | 79.9 | Confident | 87 Ų | 87 | 61.6 Ų | 61.6 | 38% | 0.378 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 128.8 | 168.3 | -174.3 | 179.4 | -179.6 | -179.2 | 0 | 109.2 | S242 K243 L276 T277 | K232-S242 VanDerWaalsContact CE-CB 3.5Å; K232-S242 WeakPolarHBondContact CE-OG 3.11Å; K232-K243 CarbonylContact C-O 3.55Å; K232-K243 WeakPolarHBondContact CA-O 3.41Å; K232-L276 WeakPolarHBondContact O-CA 3.11Å; K232-T277 PolarHBondContact N-O 3.14Å; K232-T277 PolarHBondContact O-N 3.22Å |
| 233 | I | 96.2 | Very high | 81.8 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 128.2 | -177.2 | -53.3 | 94.1 | 0 | 0 | 0 | 108.8 | V203 V205 V231 S242 K243 T245 Y260 F262 L274 L276 | V203-I233 HydrophobicContact CB-CG2 4.5Å; V203-I233 HydrophobicContact CG1-CG2 4.19Å; V205-I233 HydrophobicContact CG2-CD1 4.09Å; V205-I233 HydrophobicContact CG2-CG1 3.9Å; V231-I233 WeakPolarHBondContact O-CD1 3.15Å; I233-S242 CarbonylContact O-C 3.57Å; I233-S242 WeakPolarHBondContact O-CA 3.23Å; I233-S242 WeakPolarHBondContact O-CB 3.29Å; I233-K243 HydrophobicContact CB-CB 4.48Å; I233-K243 PolarHBondContact N-O 2.77Å; I233-K243 PolarHBondContact O-N 2.91Å; I233-T245 HydrophobicContact CD1-CG2 4.29Å; I233-Y260 HydrophobicContact CD1-CD2 3.74Å; I233-Y260 HydrophobicContact CD1-CE2 3.62Å; I233-Y260 HydrophobicContact CD1-CG 4.41Å; I233-Y260 HydrophobicContact CG1-CD2 4.25Å; I233-F262 HydrophobicContact CB-CZ 4.4Å; I233-F262 HydrophobicContact CG2-CE2 3.84Å; I233-F262 HydrophobicContact CG2-CZ 3.7Å; I233-L274 HydrophobicContact CG2-CD1 3.8Å; I233-L276 HydrophobicContact CB-CD2 4.06Å; I233-L276 HydrophobicContact CG1-CD2 3.64Å; I233-L276 HydrophobicContact CG2-CD2 3.85Å |
| 234 | C | 93.4 | Very high | 83.9 | Confident | 7 Ų | 7 | 58 Ų | 58 | 5% | 0.047 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 145.5 | -174.3 | -179.1 | 0 | 0 | 0 | 0 | 111.2 | D238 L275 | C234-D238 PolarHBondContact SG-O 3.4Å; C234-L275 HydrophobicContact CB-CB 4.21Å; C234-L275 PolarHBondContact N-O 2.94Å; C234-L275 PolarHBondContact O-N 3.18Å |
| 235 | L | 92.3 | Very high | 85.7 | Confident | 9 Ų | 9 | 55.6 Ų | 55.6 | 5% | 0.047 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 86.5 | 177.9 | -67 | -175.6 | 0 | 0 | 0 | 110.8 | L201 D238 F262 I264 R272 L274 L297 | L201-L235 HydrophobicContact CD2-CD1 4.11Å; L201-L235 HydrophobicContact CD2-CD2 4.07Å; L235-D238 PolarHBondContact O-N 2.59Å; L235-F262 HydrophobicContact CD1-CB 3.69Å; L235-F262 HydrophobicContact CD1-CD1 3.61Å; L235-F262 HydrophobicContact CD1-CD2 3.96Å; L235-F262 HydrophobicContact CD1-CE1 4.18Å; L235-F262 HydrophobicContact CD1-CE2 4.48Å; L235-F262 HydrophobicContact CD1-CG 3.48Å; L235-F262 VanDerWaalsContact CD1-CG 3.48Å; L235-F262 HydrophobicContact CG-CD1 4.15Å; L235-F262 HydrophobicContact CG-CD2 4.5Å; L235-F262 HydrophobicContact CG-CE1 4.21Å; L235-F262 HydrophobicContact CG-CG 4.3Å; L235-F262 HydrophobicContact CG-CZ 4.42Å; L235-I264 HydrophobicContact CD1-CD1 3.72Å; L235-R272 HydrophobicContact CB-CB 4.48Å; L235-R272 PolarHBondContact O-NH1 3.28Å; L235-L274 HydrophobicContact CD2-CB 4.21Å; L235-L274 HydrophobicContact CD2-CD1 3.88Å; L235-L297 HydrophobicContact CD2-CD1 4.16Å |
| 236 | L | 87.8 | Confident | 87.3 | Confident | 44 Ų | 44 | 56.2 Ų | 56.2 | 23% | 0.23 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 141 | -178.3 | -60.5 | 178.7 | 0 | 0 | 0 | 111 | Q239 R272 T273 L275 | L236-Q239 HydrophobicContact CD2-CG 3.77Å; L236-R272 WeakPolarHBondContact O-CA 3.38Å; L236-R272 WeakPolarHBondContact O-CD 3.3Å; L236-T273 PolarHBondContact N-O 2.94Å; L236-T273 PolarHBondContact O-N 2.6Å; L236-L275 HydrophobicContact CD1-CB 4.09Å; L236-L275 HydrophobicContact CD1-CD2 4.22Å; L236-L275 HydrophobicContact CD2-CD2 4.29Å; L236-L275 HydrophobicContact CG-CB 4.1Å; L236-L275 HydrophobicContact CG-CD2 4.43Å |
| 237 | P | 80.7 | Confident | 88.4 | Confident | 111 Ų | 111 | 54.5 Ų | 54.5 | 72% | 0.721 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -82.5 | -0.2 | 9.2 | 32.9 | -37.9 | 0 | 0 | 0 | 116.1 | Q239 | P237-Q239 PolarHBondContact O-N 3.07Š|
| 238 | D | 75.1 | Confident | 89 | Confident | 46 Ų | 46 | 57.3 Ų | 57.3 | 25% | 0.246 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 99.1 | -178 | -177.8 | 5.5 | 0 | 0 | 0 | 111.8 | C234 L235 K240 N241 | C234-D238 PolarHBondContact SG-O 3.4Å; L235-D238 PolarHBondContact O-N 2.59Å; D238-K240 WeakPolarHBondContact OD1-CB 3.27Å; D238-K240 PolarHBondContact OD1-N 2.99Å; D238-N241 PolarHBondContact OD1-N 2.96Å; D238-N241 PolarHBondContact OD2-ND2 3.44Å |
| 239 | Q | 69.6 | Low | 89.1 | Confident | 134 Ų | 134 | 65 Ų | 65 | 63% | 0.626 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.6 | -10.2 | 176.3 | -65.5 | -177.1 | -12.5 | 0 | 0 | 114.4 | L236 P237 | L236-Q239 HydrophobicContact CD2-CG 3.77Å; P237-Q239 PolarHBondContact O-N 3.07Å |
| 240 | K | 67.8 | Low | 88.9 | Confident | 191 Ų | 191 | 70 Ų | 70 | 83% | 0.83 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | -38.6 | -174.8 | -65.9 | -176.5 | 179.1 | -179.8 | 0 | 111.7 | D238 S242 | D238-K240 WeakPolarHBondContact OD1-CB 3.27Å; D238-K240 PolarHBondContact OD1-N 2.99Å; K240-S242 PolarHBondContact O-N 2.58Å |
| 241 | N | 77.1 | Confident | 88.6 | Confident | 112 Ų | 112 | 70.4 Ų | 70.4 | 60% | 0.599 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 37.5 | 179.8 | -72.1 | -41.5 | 0 | 0 | 0 | 113.5 | D238 | D238-N241 PolarHBondContact OD1-N 2.96Å; D238-N241 PolarHBondContact OD2-ND2 3.44Å |
| 242 | S | 87.8 | Confident | 88.2 | Confident | 43 Ų | 43 | 71.9 Ų | 71.9 | 30% | 0.301 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 142.2 | 178.9 | 68.6 | 0 | 0 | 0 | 0 | 112.6 | K232 I233 K240 | K232-S242 VanDerWaalsContact CE-CB 3.5Å; K232-S242 WeakPolarHBondContact CE-OG 3.11Å; I233-S242 CarbonylContact O-C 3.57Å; I233-S242 WeakPolarHBondContact O-CA 3.23Å; I233-S242 WeakPolarHBondContact O-CB 3.29Å; K240-S242 PolarHBondContact O-N 2.58Å |
| 243 | K | 92.7 | Very high | 88.1 | Confident | 77 Ų | 77 | 73.7 Ų | 73.7 | 34% | 0.335 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 166.3 | 175.3 | -58.9 | -171.7 | 175.4 | -161.3 | 0 | 110.1 | K232 I233 Y260 T261 F262 | K232-K243 CarbonylContact C-O 3.55Å; K232-K243 WeakPolarHBondContact CA-O 3.41Å; I233-K243 HydrophobicContact CB-CB 4.48Å; I233-K243 PolarHBondContact N-O 2.77Å; I233-K243 PolarHBondContact O-N 2.91Å; K243-Y260 HydrophobicContact CB-CD1 3.87Å; K243-Y260 HydrophobicContact CB-CE1 4.37Å; K243-Y260 HydrophobicContact CB-CG 4.26Å; K243-Y260 HydrophobicContact CD-CD1 3.93Å; K243-Y260 HydrophobicContact CD-CG 4.3Å; K243-Y260 HydrophobicContact CG-CD1 4.49Å; K243-T261 PolarHBondContact NZ-O 3.14Å; K243-F262 HydrophobicContact CB-CZ 4.33Å; K243-F262 HydrophobicContact CD-CE1 3.92Å; K243-F262 HydrophobicContact CD-CE2 4.4Å; K243-F262 HydrophobicContact CD-CZ 3.83Å; K243-F262 HydrophobicContact CG-CE1 4Å; K243-F262 HydrophobicContact CG-CZ 3.97Å |
| 244 | Q | 95 | Very high | 88.1 | Confident | 122 Ų | 122 | 73.8 Ų | 73.8 | 57% | 0.57 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148 | 152 | -179.9 | 69.7 | -175.2 | 14.9 | 0 | 0 | 113.1 | Y230 V231 Y260 | Y230-Q244 HydrophobicContact CD2-CB 4.37Å; V231-Q244 CarbonylContact O-C 3.55Å; V231-Q244 VanDerWaalsContact O-CA 3.25Å; V231-Q244 WeakPolarHBondContact O-CA 3.49Å; Q244-Y260 PolarHBondContact O-OH 2.72Å |
| 245 | T | 97.3 | Very high | 88.3 | Confident | 8 Ų | 8 | 77.1 Ų | 77.1 | 5% | 0.049 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -79 | 164 | 174.2 | 71.3 | 0 | 0 | 0 | 0 | 113.5 | V205 Y230 V231 I233 F256 E258 Y260 | V205-T245 HydrophobicContact CB-CG2 4.04Å; V205-T245 HydrophobicContact CG1-CG2 4.16Å; V205-T245 HydrophobicContact CG2-CG2 4.16Å; Y230-T245 WeakPolarHBondContact CA-OG1 3.45Å; V231-T245 HydrophobicContact CB-CG2 3.97Å; V231-T245 PolarHBondContact N-OG1 3.22Å; V231-T245 PolarHBondContact O-N 2.67Å; I233-T245 HydrophobicContact CD1-CG2 4.29Å; T245-F256 HydrophobicContact CG2-CB 4.48Å; T245-F256 HydrophobicContact CG2-CD1 4.02Å; T245-F256 HydrophobicContact CG2-CG 4.33Å; T245-F256 WeakPolarHBondContact OG1-CD1 3.44Å; T245-F256 WeakPolarHBondContact OG1-CE1 3.46Å; T245-E258 VanDerWaalsContact CA-OE2 3.31Å; T245-E258 WeakPolarHBondContact CA-OE2 3.49Å; T245-E258 HydrophobicContact CG2-CB 4.46Å; T245-Y260 WeakPolarHBondContact CA-OH 3.5Å; T245-Y260 HydrophobicContact CG2-CE2 4.11Å |
| 246 | G | 94.9 | Very high | 88.5 | Confident | 34 Ų | 34 | 77 Ų | 77 | 35% | 0.351 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 146 | 158.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | K248 E258 | G246-K248 PolarHBondContact O-N 3.38Å; G246-E258 PolarHBondContact N-OE1 3.26Å; G246-E258 PolarHBondContact N-OE2 3.04Å |
| 247 | V | 95.5 | Very high | 88.9 | Confident | 52 Ų | 52 | 79.2 Ų | 79.2 | 32% | 0.315 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -76 | 117.9 | 174 | 176 | 0 | 0 | 0 | 0 | 109.3 | N228 Y230 R249 F281 | N228-V247 HydrophobicContact CB-CG1 3.83Å; N228-V247 WeakPolarHBondContact O-CG1 3.34Å; Y230-V247 HydrophobicContact CD1-CG2 4.13Å; Y230-V247 HydrophobicContact CG-CG2 4.24Å; V247-R249 HydrophobicContact CG1-CG 4.41Å; V247-F281 HydrophobicContact CB-CB 4.49Å; V247-F281 HydrophobicContact CG1-CB 3.67Å; V247-F281 HydrophobicContact CG1-CD1 4.18Å; V247-F281 HydrophobicContact CG1-CG 3.94Å; V247-F281 HydrophobicContact CG2-CB 3.94Å; V247-F281 HydrophobicContact CG2-CD2 3.87Å; V247-F281 HydrophobicContact CG2-CG 3.92Å |
| 248 | K | 95.3 | Very high | 89.7 | Confident | 60 Ų | 60 | 76.1 Ų | 76.1 | 26% | 0.261 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -90.1 | 119.4 | 173 | -54.1 | -65.5 | 163.3 | 139.6 | 0 | 107.3 | N228 P229 G246 T251 P254 V255 F256 E258 | N228-K248 CarbonylContact C-O 3.59Å; N228-K248 VanDerWaalsContact C-O 3.22Å; N228-K248 WeakPolarHBondContact CA-O 3.26Å; P229-K248 VanDerWaalsContact CD-O 3.25Å; P229-K248 WeakPolarHBondContact CD-O 3.49Å; P229-K248 PolarHBondContact O-N 3.12Å; G246-K248 PolarHBondContact O-N 3.38Å; K248-T251 HydrophobicContact CB-CG2 3.96Å; K248-P254 HydrophobicContact CB-CB 3.85Å; K248-P254 HydrophobicContact CG-CB 3.98Å; K248-V255 WeakPolarHBondContact CD-O 3.26Å; K248-V255 VanDerWaalsContact CE-O 3.3Å; K248-V255 WeakPolarHBondContact CE-O 3.33Å; K248-V255 PolarHBondContact NZ-O 3.12Å; K248-F256 HydrophobicContact CB-CE1 4.46Å; K248-F256 HydrophobicContact CD-CD1 4.45Å; K248-F256 HydrophobicContact CG-CD1 3.73Å; K248-F256 HydrophobicContact CG-CE1 3.6Å; K248-F256 HydrophobicContact CG-CZ 4.42Å; K248-F256 PolarHBondContact NZ-O 2.49Å; K248-E258 WeakPolarHBondContact CE-OE1 3.35Å; K248-E258 IonicContact NZ-OE1 2.67Å; K248-E258 PolarHBondContact NZ-OE1 3.47Å |
| 249 | R | 91.6 | Very high | 90.7 | Very high | 201 Ų | 201 | 82.3 Ų | 82.3 | 76% | 0.758 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -88.1 | 146.7 | -170.6 | -65.8 | -177.6 | -179 | 172.9 | 1.6 | 112.6 | N228 V247 T251 | N228-R249 VanDerWaalsContact OD1-CA 3.31Å; N228-R249 WeakPolarHBondContact OD1-CA 3.39Å; V247-R249 HydrophobicContact CG1-CG 4.41Å; R249-T251 PolarHBondContact O-N 2.69Å |
| 250 | K | 88.5 | Confident | 92 | Very high | 105 Ų | 105 | 77.5 Ų | 77.5 | 46% | 0.457 | 37% | 0.365 | S | S | . | . | S | Bend | trans | 45.2 | 54.3 | 173.1 | -64.7 | -172.8 | 168.6 | -170.8 | 0 | 113.6 | D223 H226 S227 N228 | D223-K250 IonicContact OD1-NZ 3.65Å; D223-K250 PolarHBondContact OD1-NZ 3.42Å; H226-K250 VanDerWaalsContact CB-C 3.43Å; H226-K250 VanDerWaalsContact CB-CA 3.46Å; H226-K250 HydrophobicContact CB-CB 3.89Å; H226-K250 HydrophobicContact CB-CG 4.45Å; S227-K250 CarbonylContact O-C 3.5Å; S227-K250 VanDerWaalsContact O-CA 3.31Å; S227-K250 WeakPolarHBondContact O-CA 3.4Å; S227-K250 PolarHBondContact O-N 2.83Å; S227-K250 VanDerWaalsContact O-N 3.13Å; N228-K250 PolarHBondContact OD1-N 3.25Å |
| 251 | T | 90.5 | Very high | 93.4 | Very high | 36 Ų | 36 | 71.3 Ų | 71.3 | 22% | 0.221 | 34% | 0.344 | C | S | . | . | trans | -148.5 | 141.8 | 178 | -178 | 0 | 0 | 0 | 0 | 113.2 | S227 P229 K248 R249 K253 P254 | S227-T251 PolarHBondContact O-N 2.6Å; P229-T251 VanDerWaalsContact CD-O 3.3Å; P229-T251 WeakPolarHBondContact CD-O 3.28Å; P229-T251 HydrophobicContact CG-CG2 4.32Å; K248-T251 HydrophobicContact CB-CG2 3.96Å; R249-T251 PolarHBondContact O-N 2.69Å; T251-K253 VanDerWaalsContact OG1-C 3.3Å; T251-K253 PolarHBondContact OG1-N 2.62Å; T251-K253 PolarHBondContact OG1-O 2.93Å; T251-P254 HydrophobicContact CG2-CB 3.9Å | ||
| 252 | Q | 89.1 | Confident | 94.2 | Very high | 31 Ų | 31 | 66.6 Ų | 66.6 | 15% | 0.145 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -99.6 | 0.3 | 167.4 | -56.3 | -52.1 | -6.3 | 0 | 0 | 113.9 | D210 L211 P212 S227 P254 | D210-Q252 PolarHBondContact N-O 2.89Å; L211-Q252 HydrophobicContact CB-CB 4.3Å; L211-Q252 PolarHBondContact N-O 2.84Å; L211-Q252 WeakPolarHBondContact O-CB 3.37Å; L211-Q252 WeakPolarHBondContact O-CG 3.41Å; L211-Q252 PolarHBondContact O-OE1 2.74Å; P212-Q252 VanDerWaalsContact O-CD 3.3Å; P212-Q252 PolarHBondContact O-NE2 2.83Å; P212-Q252 PolarHBondContact O-OE1 3.19Å; S227-Q252 PolarHBondContact OG-NE2 2.8Å; S227-Q252 PolarHBondContact OG-OE1 3.34Å; Q252-P254 VanDerWaalsContact C-CD 3.44Å |
| 253 | K | 92.4 | Very high | 94.5 | Very high | 125 Ų | 125 | 72.9 Ų | 72.9 | 54% | 0.543 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -131 | 65 | 177 | -57.1 | -166.5 | 179.9 | -152.2 | 0 | 108.7 | A208 D210 T251 | A208-K253 CarbonylContact O-C 3.54Å; A208-K253 WeakPolarHBondContact O-CA 3.38Å; D210-K253 WeakPolarHBondContact OD1-CE 3.42Å; D210-K253 IonicContact OD1-NZ 3.94Å; D210-K253 PolarHBondContact OD1-NZ 3.39Å; T251-K253 VanDerWaalsContact OG1-C 3.3Å; T251-K253 PolarHBondContact OG1-N 2.62Å; T251-K253 PolarHBondContact OG1-O 2.93Å |
| 254 | P | 95.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 70.3 Ų | 70.3 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | trans | -71.3 | 131.3 | -177.5 | 30.6 | -37.8 | 0 | 0 | 0 | 111.4 | E207 A208 L211 P229 K248 T251 Q252 F256 | E207-P254 CarbonylContact C-O 3.52Å; E207-P254 WeakPolarHBondContact CA-O 3.26Å; E207-P254 WeakPolarHBondContact CB-O 3.48Å; A208-P254 HydrophobicContact CB-CG 3.82Å; A208-P254 PolarHBondContact N-O 2.97Å; A208-P254 WeakPolarHBondContact O-CD 3.21Å; L211-P254 HydrophobicContact CD1-CG 3.87Å; P229-P254 HydrophobicContact CB-CG 4.15Å; P229-P254 HydrophobicContact CG-CB 3.65Å; P229-P254 HydrophobicContact CG-CG 3.5Å; K248-P254 HydrophobicContact CB-CB 3.85Å; K248-P254 HydrophobicContact CG-CB 3.98Å; T251-P254 HydrophobicContact CG2-CB 3.9Å; Q252-P254 VanDerWaalsContact C-CD 3.44Å; P254-F256 HydrophobicContact CB-CD2 4.43Å; P254-F256 HydrophobicContact CB-CE1 4.17Å; P254-F256 HydrophobicContact CB-CE2 3.74Å; P254-F256 HydrophobicContact CB-CZ 3.59Å; P254-F256 HydrophobicContact CG-CD2 4.49Å; P254-F256 HydrophobicContact CG-CE2 3.53Å; P254-F256 HydrophobicContact CG-CZ 3.61Å | ||
| 255 | V | 97.1 | Very high | 94.5 | Very high | 78 Ų | 78 | 68.1 Ų | 68.1 | 47% | 0.473 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 113.9 | 165.2 | -177 | 0 | 0 | 0 | 0 | 107.9 | E207 K248 E257 | E207-V255 HydrophobicContact CB-CG2 4.27Å; K248-V255 WeakPolarHBondContact CD-O 3.26Å; K248-V255 VanDerWaalsContact CE-O 3.3Å; K248-V255 WeakPolarHBondContact CE-O 3.33Å; K248-V255 PolarHBondContact NZ-O 3.12Å; V255-E257 HydrophobicContact CG1-CG 3.81Å |
| 256 | F | 97.1 | Very high | 94.3 | Very high | 6 Ų | 6 | 70.1 Ų | 70.1 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | -62.4 | -179.9 | -63.9 | -73.9 | 0 | 0 | 0 | 110.5 | V205 I206 A208 P229 V231 T245 K248 P254 E258 | V205-F256 HydrophobicContact CB-CB 4.35Å; V205-F256 HydrophobicContact CG1-CB 3.99Å; V205-F256 HydrophobicContact CG1-CD2 3.67Å; V205-F256 HydrophobicContact CG1-CE2 4.39Å; V205-F256 HydrophobicContact CG1-CG 3.92Å; V205-F256 WeakPolarHBondContact O-CB 3.47Å; I206-F256 WeakPolarHBondContact O-CA 3.45Å; I206-F256 PolarHBondContact O-N 2.85Å; A208-F256 HydrophobicContact CB-CE2 4.38Å; P229-F256 HydrophobicContact CB-CZ 4.32Å; V231-F256 HydrophobicContact CG2-CD2 4.26Å; V231-F256 HydrophobicContact CG2-CE1 4.32Å; V231-F256 HydrophobicContact CG2-CE2 3.72Å; V231-F256 HydrophobicContact CG2-CZ 3.76Å; T245-F256 HydrophobicContact CG2-CB 4.48Å; T245-F256 HydrophobicContact CG2-CD1 4.02Å; T245-F256 HydrophobicContact CG2-CG 4.33Å; T245-F256 WeakPolarHBondContact OG1-CD1 3.44Å; T245-F256 WeakPolarHBondContact OG1-CE1 3.46Å; K248-F256 HydrophobicContact CB-CE1 4.46Å; K248-F256 HydrophobicContact CD-CD1 4.45Å; K248-F256 HydrophobicContact CG-CD1 3.73Å; K248-F256 HydrophobicContact CG-CE1 3.6Å; K248-F256 HydrophobicContact CG-CZ 4.42Å; K248-F256 PolarHBondContact NZ-O 2.49Å; P254-F256 HydrophobicContact CB-CD2 4.43Å; P254-F256 HydrophobicContact CB-CE1 4.17Å; P254-F256 HydrophobicContact CB-CE2 3.74Å; P254-F256 HydrophobicContact CB-CZ 3.59Å; P254-F256 HydrophobicContact CG-CD2 4.49Å; P254-F256 HydrophobicContact CG-CE2 3.53Å; P254-F256 HydrophobicContact CG-CZ 3.61Å; F256-E258 VanDerWaalsContact C-N 3.29Å |
| 257 | E | 96.6 | Very high | 94.2 | Very high | 91 Ų | 91 | 74.7 Ų | 74.7 | 43% | 0.425 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 55.2 | 38.5 | -174.2 | -77.2 | -73 | -157.3 | 0 | 0 | 114.8 | R204 V205 I206 V255 | R204-E257 IonicContact CZ-OE1 3.74Å; R204-E257 IonicContact CZ-OE2 2.81Å; R204-E257 IonicContact NE-OE2 3.96Å; R204-E257 PolarHBondContact NE-OE2 1.79Å; R204-E257 IonicContact NH2-OE1 3.36Å; R204-E257 PolarHBondContact NH2-OE1 2.96Å; R204-E257 IonicContact NH2-OE2 2.74Å; R204-E257 PolarHBondContact NH2-OE2 2.86Å; V205-E257 WeakPolarHBondContact O-CA 3.45Å; V205-E257 PolarHBondContact O-N 2.97Å; V205-E257 VanDerWaalsContact O-N 3.12Å; I206-E257 PolarHBondContact O-N 3.03Å; V255-E257 HydrophobicContact CG1-CG 3.81Å |
| 258 | E | 97.4 | Very high | 94.1 | Very high | 46 Ų | 46 | 75.8 Ų | 75.8 | 22% | 0.215 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 140.5 | -175 | -70.9 | 168.5 | -117 | 0 | 0 | 111.1 | R204 V205 T245 G246 K248 F256 Y260 | R204-E258 CarbonylContact C-O 3.52Å; R204-E258 VanDerWaalsContact CA-O 3.3Å; R204-E258 WeakPolarHBondContact CA-O 3.42Å; V205-E258 PolarHBondContact N-O 2.96Å; V205-E258 PolarHBondContact O-N 2.85Å; T245-E258 VanDerWaalsContact CA-OE2 3.31Å; T245-E258 WeakPolarHBondContact CA-OE2 3.49Å; T245-E258 HydrophobicContact CG2-CB 4.46Å; G246-E258 PolarHBondContact N-OE1 3.26Å; G246-E258 PolarHBondContact N-OE2 3.04Å; K248-E258 WeakPolarHBondContact CE-OE1 3.35Å; K248-E258 IonicContact NZ-OE1 2.67Å; K248-E258 PolarHBondContact NZ-OE1 3.47Å; F256-E258 VanDerWaalsContact C-N 3.29Å; E258-Y260 HydrophobicContact CB-CE2 3.92Å; E258-Y260 WeakPolarHBondContact CB-OH 3.28Å; E258-Y260 PolarHBondContact OE2-OH 3.37Å |
| 259 | R | 96.6 | Very high | 94 | Very high | 175 Ų | 175 | 72.9 Ų | 72.9 | 66% | 0.66 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 137.2 | -175.8 | -64.2 | -179.9 | -171.3 | 178.8 | 2.6 | 111.3 | R204 | R204-R259 HydrophobicContact CB-CG 3.99Å; R204-R259 HydrophobicContact CG-CG 3.79Å |
| 260 | Y | 97 | Very high | 94.1 | Very high | 34 Ų | 34 | 66.5 Ų | 66.5 | 13% | 0.133 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 126 | -179.2 | -58 | -77.8 | 0 | 0 | 0 | 110.9 | T202 V203 V205 I233 K243 Q244 T245 E258 | T202-Y260 CarbonylContact C-O 3.59Å; T202-Y260 WeakPolarHBondContact CA-O 3.43Å; V203-Y260 PolarHBondContact N-O 2.72Å; V203-Y260 PolarHBondContact O-N 3.27Å; V205-Y260 HydrophobicContact CG2-CE2 4.45Å; I233-Y260 HydrophobicContact CD1-CD2 3.74Å; I233-Y260 HydrophobicContact CD1-CE2 3.62Å; I233-Y260 HydrophobicContact CD1-CG 4.41Å; I233-Y260 HydrophobicContact CG1-CD2 4.25Å; K243-Y260 HydrophobicContact CB-CD1 3.87Å; K243-Y260 HydrophobicContact CB-CE1 4.37Å; K243-Y260 HydrophobicContact CB-CG 4.26Å; K243-Y260 HydrophobicContact CD-CD1 3.93Å; K243-Y260 HydrophobicContact CD-CG 4.3Å; K243-Y260 HydrophobicContact CG-CD1 4.49Å; Q244-Y260 PolarHBondContact O-OH 2.72Å; T245-Y260 WeakPolarHBondContact CA-OH 3.5Å; T245-Y260 HydrophobicContact CG2-CE2 4.11Å; E258-Y260 HydrophobicContact CB-CE2 3.92Å; E258-Y260 WeakPolarHBondContact CB-OH 3.28Å; E258-Y260 PolarHBondContact OE2-OH 3.37Å |
| 261 | T | 95.4 | Very high | 94.3 | Very high | 61 Ų | 61 | 71.9 Ų | 71.9 | 37% | 0.374 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 142.4 | 173.7 | 51.8 | 0 | 0 | 0 | 0 | 110.7 | L201 K243 | L201-T261 CarbonylContact O-C 3.45Å; L201-T261 WeakPolarHBondContact O-CA 3.49Å; K243-T261 PolarHBondContact NZ-O 3.14Å |
| 262 | F | 94.3 | Very high | 94.4 | Very high | 12 Ų | 12 | 72.1 Ų | 72.1 | 5% | 0.053 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 115.9 | 171.9 | -65.7 | -93.3 | 0 | 0 | 0 | 108.4 | H200 L201 V203 I233 L235 K243 I264 | H200-F262 CarbonylContact C-O 3.6Å; H200-F262 WeakPolarHBondContact CA-O 3.47Å; H200-F262 WeakPolarHBondContact CB-O 3.47Å; L201-F262 HydrophobicContact CB-CB 4.41Å; L201-F262 PolarHBondContact N-O 2.81Å; L201-F262 PolarHBondContact O-N 3.33Å; V203-F262 HydrophobicContact CB-CE2 4.39Å; V203-F262 HydrophobicContact CG2-CD2 4.17Å; V203-F262 HydrophobicContact CG2-CE2 4Å; I233-F262 HydrophobicContact CB-CZ 4.4Å; I233-F262 HydrophobicContact CG2-CE2 3.84Å; I233-F262 HydrophobicContact CG2-CZ 3.7Å; L235-F262 HydrophobicContact CD1-CB 3.69Å; L235-F262 HydrophobicContact CD1-CD1 3.61Å; L235-F262 HydrophobicContact CD1-CD2 3.96Å; L235-F262 HydrophobicContact CD1-CE1 4.18Å; L235-F262 HydrophobicContact CD1-CE2 4.48Å; L235-F262 HydrophobicContact CD1-CG 3.48Å; L235-F262 VanDerWaalsContact CD1-CG 3.48Å; L235-F262 HydrophobicContact CG-CD1 4.15Å; L235-F262 HydrophobicContact CG-CD2 4.5Å; L235-F262 HydrophobicContact CG-CE1 4.21Å; L235-F262 HydrophobicContact CG-CG 4.3Å; L235-F262 HydrophobicContact CG-CZ 4.42Å; K243-F262 HydrophobicContact CB-CZ 4.33Å; K243-F262 HydrophobicContact CD-CE1 3.92Å; K243-F262 HydrophobicContact CD-CE2 4.4Å; K243-F262 HydrophobicContact CD-CZ 3.83Å; K243-F262 HydrophobicContact CG-CE1 4Å; K243-F262 HydrophobicContact CG-CZ 3.97Å; F262-I264 HydrophobicContact CB-CG1 4.49Å; F262-I264 PolarHBondContact O-N 2.92Å; F262-I264 VanDerWaalsContact O-N 3.08Å |
| 263 | E | 93.8 | Very high | 94.7 | Very high | 175 Ų | 175 | 72.5 Ų | 72.5 | 82% | 0.818 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 91.8 | 178.4 | -67.8 | 170.3 | -157.2 | 0 | 0 | 109.1 | ||
| 264 | I | 92.8 | Very high | 94.8 | Very high | 24 Ų | 24 | 66.6 Ų | 66.6 | 12% | 0.123 | 31% | 0.313 | C | S | . | . | trans | -143.1 | 142.6 | -179.3 | 56.3 | 176.9 | 0 | 0 | 0 | 109.3 | Y194 L201 L235 F262 A269 | Y194-I264 VanDerWaalsContact CE2-O 3.26Å; Y194-I264 WeakPolarHBondContact CE2-O 3.48Å; Y194-I264 PolarHBondContact OH-O 3.01Å; L201-I264 HydrophobicContact CB-CD1 4.23Å; L201-I264 HydrophobicContact CB-CG1 4.29Å; L201-I264 HydrophobicContact CD2-CD1 4.32Å; L235-I264 HydrophobicContact CD1-CD1 3.72Å; F262-I264 HydrophobicContact CB-CG1 4.49Å; F262-I264 PolarHBondContact O-N 2.92Å; F262-I264 VanDerWaalsContact O-N 3.08Å; I264-A269 HydrophobicContact CD1-CB 3.63Å; I264-A269 HydrophobicContact CG1-CB 4.03Å | ||
| 265 | P | 94.8 | Very high | 94.8 | Very high | 75 Ų | 75 | 67.9 Ų | 67.9 | 49% | 0.487 | 32% | 0.32 | S | S | . | . | trans | -62 | 149.9 | 174.9 | -22.5 | 33.5 | 0 | 0 | 0 | 113 | L267 E268 A269 | P265-L267 PolarHBondContact O-N 3.23Å; P265-E268 HydrophobicContact CB-CB 4.35Å; P265-E268 CarbonylContact O-C 3.57Å; P265-E268 WeakPolarHBondContact O-CA 3.27Å; P265-E268 WeakPolarHBondContact O-CB 3.46Å; P265-E268 PolarHBondContact O-N 3.37Å; P265-A269 PolarHBondContact O-N 2.84Å | ||
| 266 | F | 94.3 | Very high | 94.7 | Very high | 50 Ų | 50 | 64.2 Ų | 64.2 | 22% | 0.219 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56 | -47.6 | -176.1 | 179.9 | -98.5 | 0 | 0 | 0 | 113.6 | Y194 L196 E268 A269 Q270 L302 V303 | Y194-F266 HydrophobicContact CD1-CB 4.43Å; Y194-F266 AromaticContact CD1-CD2 3.65Å; Y194-F266 HydrophobicContact CD1-CD2 3.65Å; Y194-F266 HydrophobicContact CD1-CE2 4.47Å; Y194-F266 HydrophobicContact CD2-CD2 4.24Å; Y194-F266 HydrophobicContact CE1-CB 3.85Å; Y194-F266 AromaticContact CE1-CD2 3.95Å; Y194-F266 HydrophobicContact CE1-CD2 3.95Å; Y194-F266 HydrophobicContact CE1-CG 4.4Å; Y194-F266 HydrophobicContact CE2-CB 4.27Å; Y194-F266 HydrophobicContact CE2-CD2 4.49Å; Y194-F266 AromaticContact CG-CD2 3.82Å; Y194-F266 HydrophobicContact CG-CD2 3.82Å; Y194-F266 HydrophobicContact CG-CE2 4.49Å; Y194-F266 PolarHBondContact OH-N 3.23Å; L196-F266 HydrophobicContact CD2-CB 4.33Å; L196-F266 HydrophobicContact CD2-CD2 3.82Å; L196-F266 HydrophobicContact CD2-CE2 4.34Å; L196-F266 HydrophobicContact CD2-CG 4.09Å; F266-E268 PolarHBondContact O-N 2.9Å; F266-A269 WeakPolarHBondContact O-CB 3.41Å; F266-A269 PolarHBondContact O-N 2.95Å; F266-A269 VanDerWaalsContact O-N 3.16Å; F266-Q270 HydrophobicContact CD1-CG 4.49Å; F266-Q270 HydrophobicContact CE1-CG 4.07Å; F266-Q270 VanDerWaalsContact CE1-OE1 3.3Å; F266-Q270 HydrophobicContact CZ-CG 4.14Å; F266-Q270 PolarHBondContact O-N 2.89Å; F266-L302 HydrophobicContact CE2-CB 4.04Å; F266-L302 HydrophobicContact CE2-CD1 4.42Å; F266-V303 HydrophobicContact CE2-CG2 3.74Å; F266-V303 HydrophobicContact CZ-CG2 3.96Å |
| 267 | L | 93.4 | Very high | 94.5 | Very high | 130 Ų | 130 | 64.6 Ų | 64.6 | 68% | 0.681 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -65.4 | -24.1 | 177.5 | -64.1 | 178.1 | 0 | 0 | 0 | 112.9 | P265 R271 | P265-L267 PolarHBondContact O-N 3.23Å; L267-R271 WeakPolarHBondContact O-CG 3.16Å |
| 268 | E | 92.9 | Very high | 94.4 | Very high | 75 Ų | 75 | 60.2 Ų | 60.2 | 35% | 0.35 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -79.3 | -44.6 | 172 | -171.4 | 173.3 | 170.7 | 0 | 0 | 110.5 | P265 F266 Q270 R271 R272 | P265-E268 HydrophobicContact CB-CB 4.35Å; P265-E268 CarbonylContact O-C 3.57Å; P265-E268 WeakPolarHBondContact O-CA 3.27Å; P265-E268 WeakPolarHBondContact O-CB 3.46Å; P265-E268 PolarHBondContact O-N 3.37Å; F266-E268 PolarHBondContact O-N 2.9Å; E268-Q270 VanDerWaalsContact C-N 3.3Å; E268-Q270 PolarHBondContact O-N 3.08Å; E268-R271 WeakPolarHBondContact O-CA 3.27Å; E268-R271 WeakPolarHBondContact O-CB 3.37Å; E268-R271 PolarHBondContact O-N 2.9Å; E268-R272 WeakPolarHBondContact O-CG 3.38Å; E268-R272 PolarHBondContact O-N 3.21Å; E268-R272 IonicContact OE1-CZ 3.3Å; E268-R272 IonicContact OE1-NE 3.48Å; E268-R272 PolarHBondContact OE1-NE 3.45Å; E268-R272 IonicContact OE1-NH2 2.93Å; E268-R272 PolarHBondContact OE1-NH2 2.78Å |
| 269 | A | 93.1 | Very high | 94 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -52.9 | -46 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y194 I264 P265 F266 R271 R272 L297 L302 | Y194-A269 HydrophobicContact CD2-CB 3.96Å; Y194-A269 HydrophobicContact CE2-CB 3.98Å; I264-A269 HydrophobicContact CD1-CB 3.63Å; I264-A269 HydrophobicContact CG1-CB 4.03Å; P265-A269 PolarHBondContact O-N 2.84Å; F266-A269 WeakPolarHBondContact O-CB 3.41Å; F266-A269 PolarHBondContact O-N 2.95Å; F266-A269 VanDerWaalsContact O-N 3.16Å; A269-R271 PolarHBondContact O-N 3.16Å; A269-R271 VanDerWaalsContact O-N 3.14Å; A269-R272 PolarHBondContact O-N 2.86Å; A269-L297 VanDerWaalsContact O-CB 3.31Å; A269-L297 WeakPolarHBondContact O-CB 3.49Å; A269-L302 HydrophobicContact CB-CD1 4.08Å |
| 270 | Q | 93.3 | Very high | 93.6 | Very high | 66 Ų | 66 | 50.7 Ų | 50.7 | 31% | 0.308 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -21.8 | 175.6 | -69.4 | -174.3 | -59.9 | 0 | 0 | 114.1 | F266 E268 C298 L302 | F266-Q270 HydrophobicContact CD1-CG 4.49Å; F266-Q270 HydrophobicContact CE1-CG 4.07Å; F266-Q270 VanDerWaalsContact CE1-OE1 3.3Å; F266-Q270 HydrophobicContact CZ-CG 4.14Å; F266-Q270 PolarHBondContact O-N 2.89Å; E268-Q270 VanDerWaalsContact C-N 3.3Å; E268-Q270 PolarHBondContact O-N 3.08Å; Q270-C298 WeakPolarHBondContact O-CA 3.33Å; Q270-C298 VanDerWaalsContact O-CB 3.27Å; Q270-C298 WeakPolarHBondContact O-CB 3.04Å; Q270-C298 PolarHBondContact O-N 3.32Å; Q270-L302 HydrophobicContact CG-CD1 4.05Å |
| 271 | R | 92.9 | Very high | 93.1 | Very high | 219 Ų | 219 | 52.2 Ų | 52.2 | 83% | 0.826 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -0.8 | 178.6 | -64.2 | 177.9 | 66.4 | -164 | 0.4 | 113.5 | L267 E268 A269 | L267-R271 WeakPolarHBondContact O-CG 3.16Å; E268-R271 WeakPolarHBondContact O-CA 3.27Å; E268-R271 WeakPolarHBondContact O-CB 3.37Å; E268-R271 PolarHBondContact O-N 2.9Å; A269-R271 PolarHBondContact O-N 3.16Å; A269-R271 VanDerWaalsContact O-N 3.14Å |
| 272 | R | 93.3 | Very high | 92 | Very high | 40 Ų | 40 | 50.6 Ų | 50.6 | 15% | 0.151 | 24% | 0.241 | C | C | . | . | trans | -93.4 | 154.9 | 177.6 | -62.4 | -57.5 | -173.2 | 132.1 | -5.5 | 111 | L235 L236 E268 A269 L297 | L235-R272 HydrophobicContact CB-CB 4.48Å; L235-R272 PolarHBondContact O-NH1 3.28Å; L236-R272 WeakPolarHBondContact O-CA 3.38Å; L236-R272 WeakPolarHBondContact O-CD 3.3Å; E268-R272 WeakPolarHBondContact O-CG 3.38Å; E268-R272 PolarHBondContact O-N 3.21Å; E268-R272 IonicContact OE1-CZ 3.3Å; E268-R272 IonicContact OE1-NE 3.48Å; E268-R272 PolarHBondContact OE1-NE 3.45Å; E268-R272 IonicContact OE1-NH2 2.93Å; E268-R272 PolarHBondContact OE1-NH2 2.78Å; A269-R272 PolarHBondContact O-N 2.86Å; R272-L297 HydrophobicContact CB-CD1 4.28Å; R272-L297 WeakPolarHBondContact O-CB 3.4Å; R272-L297 WeakPolarHBondContact O-CG 3.35Å; R272-L297 PolarHBondContact O-N 3.25Å | ||
| 273 | T | 94.3 | Very high | 90.7 | Very high | 39 Ų | 39 | 57.7 Ų | 57.7 | 24% | 0.239 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 122.9 | 168.7 | -55.9 | 0 | 0 | 0 | 0 | 108.5 | L236 L275 S294 V295 | L236-T273 PolarHBondContact N-O 2.94Å; L236-T273 PolarHBondContact O-N 2.6Å; T273-L275 PolarHBondContact O-N 3.03Å; T273-S294 WeakPolarHBondContact CG2-OG 3.32Å; T273-V295 CarbonylContact C-O 3.51Å; T273-V295 WeakPolarHBondContact CA-O 3.35Å |
| 274 | L | 95.4 | Very high | 88.8 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 117.2 | 172.6 | 173.6 | 61.8 | 0 | 0 | 0 | 109 | F190 T192 V203 I233 L235 L276 S294 V295 L297 | F190-L274 HydrophobicContact CD2-CD2 4.23Å; F190-L274 HydrophobicContact CE2-CD2 4.17Å; T192-L274 HydrophobicContact CG2-CD2 3.46Å; T192-L274 VanDerWaalsContact CG2-CD2 3.46Å; V203-L274 HydrophobicContact CG1-CD1 4.27Å; V203-L274 HydrophobicContact CG1-CD2 3.98Å; V203-L274 HydrophobicContact CG2-CD1 4.2Å; V203-L274 HydrophobicContact CG2-CD2 4.27Å; I233-L274 HydrophobicContact CG2-CD1 3.8Å; L235-L274 HydrophobicContact CD2-CB 4.21Å; L235-L274 HydrophobicContact CD2-CD1 3.88Å; L274-L276 HydrophobicContact CD1-CD2 4.05Å; L274-L276 HydrophobicContact CD1-CG 4.31Å; L274-L276 HydrophobicContact CD2-CD1 4.39Å; L274-L276 HydrophobicContact CD2-CG 4.44Å; L274-L276 HydrophobicContact CG-CD2 4.43Å; L274-L276 HydrophobicContact CG-CG 4.17Å; L274-S294 WeakPolarHBondContact O-CA 3.47Å; L274-V295 PolarHBondContact N-O 3.31Å; L274-V295 PolarHBondContact O-N 3.22Å; L274-L297 HydrophobicContact CB-CD1 4.46Å; L274-L297 HydrophobicContact CB-CD2 3.87Å; L274-L297 HydrophobicContact CB-CG 4.23Å |
| 275 | L | 94.3 | Very high | 86.9 | Confident | 28 Ų | 28 | 58.8 Ų | 58.8 | 15% | 0.147 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 120.2 | 172 | 177.2 | 67.9 | 0 | 0 | 0 | 109.1 | C234 L236 T273 K292 | C234-L275 HydrophobicContact CB-CB 4.21Å; C234-L275 PolarHBondContact N-O 2.94Å; C234-L275 PolarHBondContact O-N 3.18Å; L236-L275 HydrophobicContact CD1-CB 4.09Å; L236-L275 HydrophobicContact CD1-CD2 4.22Å; L236-L275 HydrophobicContact CD2-CD2 4.29Å; L236-L275 HydrophobicContact CG-CB 4.1Å; L236-L275 HydrophobicContact CG-CD2 4.43Å; T273-L275 PolarHBondContact O-N 3.03Å; L275-K292 HydrophobicContact CD1-CB 4.27Å; L275-K292 HydrophobicContact CD1-CD 4.31Å; L275-K292 HydrophobicContact CD1-CG 4.43Å |
| 276 | L | 96.2 | Very high | 85.2 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 123.5 | 171.2 | -60.6 | 171.5 | 0 | 0 | 0 | 108.1 | L188 F190 V203 V205 V231 K232 I233 L274 K292 V293 | L188-L276 HydrophobicContact CD2-CB 3.66Å; L188-L276 HydrophobicContact CD2-CD1 3.69Å; L188-L276 HydrophobicContact CD2-CG 4.27Å; F190-L276 HydrophobicContact CB-CD1 3.89Å; F190-L276 HydrophobicContact CD1-CD1 3.59Å; F190-L276 HydrophobicContact CD2-CD1 3.67Å; F190-L276 HydrophobicContact CE1-CD1 4.04Å; F190-L276 HydrophobicContact CE2-CD1 4.1Å; F190-L276 HydrophobicContact CG-CD1 3.41Å; F190-L276 VanDerWaalsContact CG-CD1 3.41Å; F190-L276 HydrophobicContact CZ-CD1 4.28Å; V203-L276 HydrophobicContact CG1-CD2 4.48Å; V205-L276 HydrophobicContact CG2-CD2 4.42Å; V231-L276 HydrophobicContact CG1-CB 4.14Å; V231-L276 HydrophobicContact CG1-CD2 4.24Å; K232-L276 WeakPolarHBondContact O-CA 3.11Å; I233-L276 HydrophobicContact CB-CD2 4.06Å; I233-L276 HydrophobicContact CG1-CD2 3.64Å; I233-L276 HydrophobicContact CG2-CD2 3.85Å; L274-L276 HydrophobicContact CD1-CD2 4.05Å; L274-L276 HydrophobicContact CD1-CG 4.31Å; L274-L276 HydrophobicContact CD2-CD1 4.39Å; L274-L276 HydrophobicContact CD2-CG 4.44Å; L274-L276 HydrophobicContact CG-CD2 4.43Å; L274-L276 HydrophobicContact CG-CG 4.17Å; L276-K292 CarbonylContact O-C 3.45Å; L276-K292 VanDerWaalsContact O-CA 3.31Å; L276-K292 WeakPolarHBondContact O-CA 3.24Å; L276-V293 HydrophobicContact CB-CB 4.38Å; L276-V293 PolarHBondContact N-O 2.88Å; L276-V293 PolarHBondContact O-N 3.32Å |
| 277 | T | 93.4 | Very high | 84.2 | Confident | 14 Ų | 14 | 58.2 Ų | 58.2 | 9% | 0.086 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 117.4 | 177.1 | -53.8 | 0 | 0 | 0 | 0 | 108.6 | V231 K232 V279 V289 K292 | V231-T277 CarbonylContact C-O 3.52Å; V231-T277 WeakPolarHBondContact CA-O 3.35Å; K232-T277 PolarHBondContact N-O 3.14Å; K232-T277 PolarHBondContact O-N 3.22Å; T277-V279 HydrophobicContact CG2-CG2 3.8Å; T277-V289 HydrophobicContact CG2-CB 4.5Å; T277-V289 HydrophobicContact CG2-CG1 3.67Å; T277-V289 HydrophobicContact CG2-CG2 4.09Å; T277-K292 HydrophobicContact CG2-CG 3.88Å |
| 278 | V | 93.7 | Very high | 83.3 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 127.6 | 173.9 | -174.9 | 0 | 0 | 0 | 0 | 108.3 | L188 L211 P229 V231 I290 G291 L312 | L188-V278 HydrophobicContact CD1-CG2 4.13Å; L188-V278 HydrophobicContact CD2-CG2 4.02Å; L188-V278 HydrophobicContact CG-CG2 4.49Å; L211-V278 HydrophobicContact CD1-CG1 4.32Å; L211-V278 HydrophobicContact CD2-CG1 4.4Å; P229-V278 HydrophobicContact CB-CG1 4.38Å; V231-V278 HydrophobicContact CG2-CG2 4.16Å; V278-I290 HydrophobicContact CB-CB 4.42Å; V278-I290 HydrophobicContact CG1-CB 4.2Å; V278-I290 HydrophobicContact CG1-CD1 4.03Å; V278-I290 PolarHBondContact O-N 2.98Å; V278-G291 PolarHBondContact N-O 3.03Å; V278-G291 PolarHBondContact O-N 3.23Å; V278-L312 HydrophobicContact CB-CD1 4.41Å; V278-L312 HydrophobicContact CB-CD2 4.14Å; V278-L312 HydrophobicContact CG2-CD1 4.09Å; V278-L312 HydrophobicContact CG2-CD2 3.52Å; V278-L312 HydrophobicContact CG2-CG 4.46Å |
| 279 | V | 89.6 | Confident | 82.8 | Confident | 9 Ų | 9 | 52.9 Ų | 52.9 | 6% | 0.055 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 132.9 | -173.3 | -165.8 | 0 | 0 | 0 | 0 | 109.4 | P229 Y230 T277 H287 C288 V289 | P229-V279 CarbonylContact C-O 3.52Å; P229-V279 WeakPolarHBondContact CA-O 3.18Å; Y230-V279 HydrophobicContact CD1-CB 4.12Å; Y230-V279 VanDerWaalsContact CD1-O 3.25Å; Y230-V279 WeakPolarHBondContact CD1-O 3.42Å; Y230-V279 HydrophobicContact CE1-CB 3.61Å; Y230-V279 HydrophobicContact CE1-CG1 3.79Å; Y230-V279 HydrophobicContact CE2-CB 4.32Å; Y230-V279 PolarHBondContact N-O 2.93Å; Y230-V279 PolarHBondContact O-N 2.87Å; T277-V279 HydrophobicContact CG2-CG2 3.8Å; V279-H287 HydrophobicContact CG1-CB 3.58Å; V279-C288 CarbonylContact C-O 3.53Å; V279-C288 WeakPolarHBondContact CA-O 3.13Å; V279-C288 WeakPolarHBondContact CG1-O 3.27Å; V279-V289 HydrophobicContact CG2-CG2 4.38Å |
| 280 | D | 87.4 | Confident | 82.5 | Confident | 12 Ų | 12 | 53.7 Ų | 53.7 | 6% | 0.064 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 123.2 | 170.4 | -172.5 | 15.8 | 0 | 0 | 0 | 110 | P214 S227 N228 H287 C288 I290 | P214-D280 WeakPolarHBondContact CB-OD2 3.45Å; S227-D280 WeakPolarHBondContact CA-OD1 3.16Å; N228-D280 PolarHBondContact N-OD1 2.98Å; D280-H287 CarbonylContact O-C 3.56Å; D280-H287 WeakPolarHBondContact O-CA 3.22Å; D280-H287 VanDerWaalsContact O-CB 3.3Å; D280-H287 WeakPolarHBondContact O-CB 3.15Å; D280-C288 HydrophobicContact CB-CB 4.35Å; D280-C288 PolarHBondContact N-O 3.32Å; D280-C288 PolarHBondContact O-N 3.46Å; D280-I290 HydrophobicContact CB-CD1 3.94Å; D280-I290 HydrophobicContact CB-CG1 4.01Å |
| 281 | F | 85.7 | Confident | 82.2 | Confident | 66 Ų | 66 | 50.5 Ų | 50.5 | 29% | 0.289 | 24% | 0.237 | S | C | . | . | trans | -82.1 | 127.4 | 176.8 | 176 | -84.7 | 0 | 0 | 0 | 111.4 | N228 Y230 V247 K283 H287 | N228-F281 HydrophobicContact CB-CB 4.03Å; N228-F281 WeakPolarHBondContact CB-O 3.45Å; N228-F281 PolarHBondContact ND2-O 2.82Å; N228-F281 VanDerWaalsContact ND2-O 3.13Å; N228-F281 VanDerWaalsContact O-CB 3.29Å; N228-F281 WeakPolarHBondContact O-CB 3.27Å; N228-F281 PolarHBondContact O-N 2.84Å; Y230-F281 HydrophobicContact CD1-CB 3.99Å; Y230-F281 HydrophobicContact CE1-CB 4.15Å; V247-F281 HydrophobicContact CB-CB 4.49Å; V247-F281 HydrophobicContact CG1-CB 3.67Å; V247-F281 HydrophobicContact CG1-CD1 4.18Å; V247-F281 HydrophobicContact CG1-CG 3.94Å; V247-F281 HydrophobicContact CG2-CB 3.94Å; V247-F281 HydrophobicContact CG2-CD2 3.87Å; V247-F281 HydrophobicContact CG2-CG 3.92Å; F281-K283 HydrophobicContact CE1-CB 4.14Å; F281-H287 AromaticContact CD2-CE1 3.34Å; F281-H287 WeakPolarHBondContact CD2-CE1 3.44Å; F281-H287 AromaticContact CD2-NE2 3.32Å; F281-H287 VanDerWaalsContact CD2-NE2 3.32Å; F281-H287 WeakPolarHBondContact CD2-NE2 3.21Å; F281-H287 AromaticContact CE2-CE1 3.61Å; F281-H287 AromaticContact CE2-NE2 3.37Å; F281-H287 WeakPolarHBondContact CE2-NE2 3.43Å | ||
| 282 | D | 74.2 | Confident | 82.1 | Confident | 27 Ų | 27 | 40.9 Ų | 40.9 | 14% | 0.144 | 20% | 0.201 | C | C | . | . | trans | -117.2 | 141.2 | 166.5 | -163.8 | -37.8 | 0 | 0 | 0 | 109.8 | F284 S285 H287 | D282-F284 PolarHBondContact OD1-N 2.87Å; D282-S285 WeakPolarHBondContact CB-OG 3.39Å; D282-S285 PolarHBondContact OD1-N 2.85Å; D282-S285 VanDerWaalsContact OD1-N 3.1Å; D282-S285 WeakPolarHBondContact OD2-CB 3.32Å; D282-S285 PolarHBondContact OD2-OG 3.07Å; D282-H287 PolarHBondContact O-CD2 2.64Å; D282-H287 PolarHBondContact O-NE2 3.4Å | ||
| 283 | K | 66.4 | Low | 82.1 | Confident | 160 Ų | 160 | 39.1 Ų | 39.1 | 70% | 0.696 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -82.4 | -26.6 | 177.7 | 178.7 | 177.8 | 172.9 | -172 | 0 | 112.8 | F281 | F281-K283 HydrophobicContact CE1-CB 4.14Š|
| 284 | F | 53.3 | Low | 82 | Confident | 171 Ų | 171 | 39.6 Ų | 39.6 | 75% | 0.75 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -122 | -14.7 | -168.7 | -54.9 | -70.6 | 0 | 0 | 0 | 113.2 | D282 | D282-F284 PolarHBondContact OD1-N 2.87Š|
| 285 | S | 52.9 | Low | 81.9 | Confident | 51 Ų | 51 | 39.9 Ų | 39.9 | 36% | 0.357 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -125.5 | -167.4 | 175.5 | 90.4 | 0 | 0 | 0 | 0 | 111.6 | D282 | D282-S285 WeakPolarHBondContact CB-OG 3.39Å; D282-S285 PolarHBondContact OD1-N 2.85Å; D282-S285 VanDerWaalsContact OD1-N 3.1Å; D282-S285 WeakPolarHBondContact OD2-CB 3.32Å; D282-S285 PolarHBondContact OD2-OG 3.07Å |
| 286 | R | 58.7 | Low | 81.9 | Confident | 36 Ų | 36 | 40.2 Ų | 40.2 | 14% | 0.136 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -68.8 | 149.5 | 173.3 | -85.6 | -171.2 | 163.2 | 133 | -6.1 | 111.3 | C288 E321 G323 Q347 | R286-C288 PolarHBondContact O-N 2.87Å; R286-E321 VanDerWaalsContact CZ-CB 3.49Å; R286-E321 IonicContact CZ-OE2 2.73Å; R286-E321 IonicContact NE-OE2 2.73Å; R286-E321 PolarHBondContact NE-OE2 3.49Å; R286-E321 PolarHBondContact NH1-O 3.2Å; R286-E321 PolarHBondContact NH2-O 2.94Å; R286-E321 IonicContact NH2-OE2 2.6Å; R286-E321 PolarHBondContact NH2-OE2 3.38Å; R286-G323 VanDerWaalsContact NH2-CA 3.28Å; R286-G323 VanDerWaalsContact NH2-N 3.12Å; R286-Q347 HydrophobicContact CG-CB 4.02Å; R286-Q347 PolarHBondContact NE-O 3.14Å; R286-Q347 PolarHBondContact NH1-O 2.74Å |
| 287 | H | 74.4 | Confident | 81.8 | Confident | 78 Ų | 78 | 40.2 Ų | 40.2 | 36% | 0.361 | 21% | 0.206 | S | C | . | . | P | Polyproline II helix | trans | -73.4 | 125.9 | 163.1 | -55.1 | -177.8 | 0 | 0 | 0 | 109 | Y230 V279 D280 F281 D282 | Y230-H287 HydrophobicContact CE1-CB 4.41Å; Y230-H287 AromaticContact CE1-ND1 3.51Å; Y230-H287 AromaticContact CZ-ND1 3.56Å; Y230-H287 PolarHBondContact OH-ND1 3.09Å; V279-H287 HydrophobicContact CG1-CB 3.58Å; D280-H287 CarbonylContact O-C 3.56Å; D280-H287 WeakPolarHBondContact O-CA 3.22Å; D280-H287 VanDerWaalsContact O-CB 3.3Å; D280-H287 WeakPolarHBondContact O-CB 3.15Å; F281-H287 AromaticContact CD2-CE1 3.34Å; F281-H287 WeakPolarHBondContact CD2-CE1 3.44Å; F281-H287 AromaticContact CD2-NE2 3.32Å; F281-H287 VanDerWaalsContact CD2-NE2 3.32Å; F281-H287 WeakPolarHBondContact CD2-NE2 3.21Å; F281-H287 AromaticContact CE2-CE1 3.61Å; F281-H287 AromaticContact CE2-NE2 3.37Å; F281-H287 WeakPolarHBondContact CE2-NE2 3.43Å; D282-H287 PolarHBondContact O-CD2 2.64Å; D282-H287 PolarHBondContact O-NE2 3.4Å |
| 288 | C | 73.4 | Confident | 81.8 | Confident | 43 Ų | 43 | 43.5 Ų | 43.5 | 29% | 0.291 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 126.4 | -177.2 | -70.7 | 0 | 0 | 0 | 0 | 110.7 | I215 V279 D280 R286 I290 | I215-C288 HydrophobicContact CD1-CB 4.46Å; V279-C288 CarbonylContact C-O 3.53Å; V279-C288 WeakPolarHBondContact CA-O 3.13Å; V279-C288 WeakPolarHBondContact CG1-O 3.27Å; D280-C288 HydrophobicContact CB-CB 4.35Å; D280-C288 PolarHBondContact N-O 3.32Å; D280-C288 PolarHBondContact O-N 3.46Å; R286-C288 PolarHBondContact O-N 2.87Å; C288-I290 PolarHBondContact O-N 3.02Å |
| 289 | V | 83.9 | Confident | 81.5 | Confident | 49 Ų | 49 | 50.4 Ų | 50.4 | 30% | 0.297 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 116.4 | 170.6 | 176.7 | 0 | 0 | 0 | 0 | 108.5 | T277 V279 K292 | T277-V289 HydrophobicContact CG2-CB 4.5Å; T277-V289 HydrophobicContact CG2-CG1 3.67Å; T277-V289 HydrophobicContact CG2-CG2 4.09Å; V279-V289 HydrophobicContact CG2-CG2 4.38Å; V289-K292 HydrophobicContact CG1-CG 4.5Å |
| 290 | I | 85.5 | Confident | 81.6 | Confident | 17 Ų | 17 | 50.7 Ų | 50.7 | 9% | 0.087 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | -42.5 | 175.9 | -60.3 | 174.8 | 0 | 0 | 0 | 109.4 | L185 L211 P212 P229 V278 D280 C288 | L185-I290 WeakPolarHBondContact CD1-O 3.46Å; L211-I290 HydrophobicContact CD1-CD1 4.37Å; L211-I290 HydrophobicContact CD2-CG2 4.28Å; P212-I290 HydrophobicContact CG-CG2 3.77Å; P229-I290 HydrophobicContact CB-CD1 4.38Å; V278-I290 HydrophobicContact CB-CB 4.42Å; V278-I290 HydrophobicContact CG1-CB 4.2Å; V278-I290 HydrophobicContact CG1-CD1 4.03Å; V278-I290 PolarHBondContact O-N 2.98Å; D280-I290 HydrophobicContact CB-CD1 3.94Å; D280-I290 HydrophobicContact CB-CG1 4.01Å; C288-I290 PolarHBondContact O-N 3.02Å |
| 291 | G | 87.1 | Confident | 81.8 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.4 | 176.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V278 I313 | V278-G291 PolarHBondContact N-O 3.03Å; V278-G291 PolarHBondContact O-N 3.23Å; G291-I313 CarbonylContact C-O 3.49Å; G291-I313 VanDerWaalsContact CA-O 3.27Å; G291-I313 WeakPolarHBondContact CA-O 3.46Å |
| 292 | K | 90.7 | Very high | 82.1 | Confident | 16 Ų | 16 | 50.7 Ų | 50.7 | 7% | 0.07 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 156.8 | -177.5 | -70.5 | 176.4 | 177.4 | 177.4 | 0 | 111 | L275 L276 T277 V289 I313 E319 | L275-K292 HydrophobicContact CD1-CB 4.27Å; L275-K292 HydrophobicContact CD1-CD 4.31Å; L275-K292 HydrophobicContact CD1-CG 4.43Å; L276-K292 CarbonylContact O-C 3.45Å; L276-K292 VanDerWaalsContact O-CA 3.31Å; L276-K292 WeakPolarHBondContact O-CA 3.24Å; T277-K292 HydrophobicContact CG2-CG 3.88Å; V289-K292 HydrophobicContact CG1-CG 4.5Å; K292-I313 HydrophobicContact CB-CG1 4.24Å; K292-I313 PolarHBondContact N-O 3.25Å; K292-I313 WeakPolarHBondContact O-CG1 3.45Å; K292-I313 PolarHBondContact O-N 3.41Å; K292-E319 IonicContact NZ-OE1 2.73Å; K292-E319 PolarHBondContact NZ-OE1 2.59Å; K292-E319 IonicContact NZ-OE2 3.71Å; K292-E319 PolarHBondContact NZ-OE2 2.81Å |
| 293 | V | 93.4 | Very high | 82.8 | Confident | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.024 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 130 | 165.6 | 175.6 | 0 | 0 | 0 | 0 | 107.7 | L188 F190 L276 V295 K310 L312 | L188-V293 HydrophobicContact CB-CG2 4.18Å; L188-V293 HydrophobicContact CD2-CG2 4.36Å; F190-V293 HydrophobicContact CE1-CG1 3.94Å; F190-V293 HydrophobicContact CZ-CG1 4.1Å; L276-V293 HydrophobicContact CB-CB 4.38Å; L276-V293 PolarHBondContact N-O 2.88Å; L276-V293 PolarHBondContact O-N 3.32Å; V293-V295 HydrophobicContact CG1-CG2 4.17Å; V293-K310 HydrophobicContact CG1-CB 3.67Å; V293-K310 HydrophobicContact CG1-CD 3.59Å; V293-K310 HydrophobicContact CG1-CG 4.13Å; V293-K310 HydrophobicContact CG2-CB 4.06Å; V293-L312 HydrophobicContact CG2-CD2 3.89Å |
| 294 | S | 92.7 | Very high | 84 | Confident | 48 Ų | 48 | 52.9 Ų | 52.9 | 34% | 0.336 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 135.4 | 175.4 | -169.4 | 0 | 0 | 0 | 0 | 109.7 | T273 L274 | T273-S294 WeakPolarHBondContact CG2-OG 3.32Å; L274-S294 WeakPolarHBondContact O-CA 3.47Å |
| 295 | V | 93.1 | Very high | 85.6 | Confident | 7 Ų | 7 | 45.8 Ų | 45.8 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 113.5 | 175.5 | -177.1 | 0 | 0 | 0 | 0 | 110.4 | F190 T273 L274 V293 L297 V300 K310 | F190-V295 HydrophobicContact CE2-CG2 4.12Å; F190-V295 HydrophobicContact CZ-CG2 3.72Å; T273-V295 CarbonylContact C-O 3.51Å; T273-V295 WeakPolarHBondContact CA-O 3.35Å; L274-V295 PolarHBondContact N-O 3.31Å; L274-V295 PolarHBondContact O-N 3.22Å; V293-V295 HydrophobicContact CG1-CG2 4.17Å; V295-L297 PolarHBondContact O-N 2.95Å; V295-V300 HydrophobicContact CG1-CG2 3.8Å; V295-K310 HydrophobicContact CG2-CD 3.9Å |
| 296 | P | 94.4 | Very high | 87.4 | Confident | 36 Ų | 36 | 44.5 Ų | 44.5 | 23% | 0.234 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 122.3 | 166.5 | -20.9 | 34.5 | 0 | 0 | 0 | 110 | C298 E299 | P296-C298 VanDerWaalsContact CB-SG 3.57Å; P296-C298 PolarHBondContact O-N 2.92Å; P296-E299 HydrophobicContact CB-CG 4.33Å; P296-E299 PolarHBondContact O-N 3.46Å |
| 297 | L | 94 | Very high | 89.1 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -5.5 | -176.3 | -63.1 | -179.2 | 0 | 0 | 0 | 113.4 | L201 L235 A269 R272 L274 V295 E299 L302 | L201-L297 HydrophobicContact CD2-CD1 3.48Å; L201-L297 VanDerWaalsContact CD2-CD1 3.48Å; L235-L297 HydrophobicContact CD2-CD1 4.16Å; A269-L297 VanDerWaalsContact O-CB 3.31Å; A269-L297 WeakPolarHBondContact O-CB 3.49Å; R272-L297 HydrophobicContact CB-CD1 4.28Å; R272-L297 WeakPolarHBondContact O-CB 3.4Å; R272-L297 WeakPolarHBondContact O-CG 3.35Å; R272-L297 PolarHBondContact O-N 3.25Å; L274-L297 HydrophobicContact CB-CD1 4.46Å; L274-L297 HydrophobicContact CB-CD2 3.87Å; L274-L297 HydrophobicContact CB-CG 4.23Å; V295-L297 PolarHBondContact O-N 2.95Å; L297-E299 VanDerWaalsContact C-N 3.34Å; L297-L302 HydrophobicContact CB-CD1 4.42Å; L297-L302 HydrophobicContact CB-CD2 4.44Å; L297-L302 HydrophobicContact CD2-CD2 4.27Å |
| 298 | C | 92.4 | Very high | 90 | Very high | 83 Ų | 83 | 48.4 Ų | 48.4 | 56% | 0.561 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -26.7 | 168.4 | 48.6 | 0 | 0 | 0 | 0 | 113.4 | Q270 P296 V300 | Q270-C298 WeakPolarHBondContact O-CA 3.33Å; Q270-C298 VanDerWaalsContact O-CB 3.27Å; Q270-C298 WeakPolarHBondContact O-CB 3.04Å; Q270-C298 PolarHBondContact O-N 3.32Å; P296-C298 VanDerWaalsContact CB-SG 3.57Å; P296-C298 PolarHBondContact O-N 2.92Å; C298-V300 VanDerWaalsContact C-N 3.29Å |
| 299 | E | 89.2 | Confident | 91 | Very high | 146 Ų | 146 | 49.7 Ų | 49.7 | 68% | 0.682 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -83.5 | -8.2 | -179.9 | -67 | 166.8 | -164.3 | 0 | 0 | 112.6 | P296 L297 | P296-E299 HydrophobicContact CB-CG 4.33Å; P296-E299 PolarHBondContact O-N 3.46Å; L297-E299 VanDerWaalsContact C-N 3.34Å |
| 300 | V | 89.8 | Confident | 91.6 | Very high | 15 Ų | 15 | 50.1 Ų | 50.1 | 9% | 0.091 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -105.3 | 131.4 | -175.3 | 175.6 | 0 | 0 | 0 | 0 | 110.4 | V295 C298 L302 W308 | V295-V300 HydrophobicContact CG1-CG2 3.8Å; C298-V300 VanDerWaalsContact C-N 3.29Å; V300-L302 HydrophobicContact CB-CD2 4.25Å; V300-L302 HydrophobicContact CG1-CD2 3.88Å; V300-L302 HydrophobicContact CG1-CG 4.44Å; V300-L302 PolarHBondContact O-N 2.83Å; V300-W308 HydrophobicContact CB-CH2 4.49Å; V300-W308 HydrophobicContact CB-CZ2 4.44Å; V300-W308 HydrophobicContact CG1-CH2 3.45Å; V300-W308 VanDerWaalsContact CG1-CH2 3.45Å; V300-W308 HydrophobicContact CG1-CZ2 3.62Å; V300-W308 HydrophobicContact CG2-CH2 4.18Å; V300-W308 HydrophobicContact CG2-CZ2 4.03Å |
| 301 | D | 91.8 | Very high | 91.9 | Very high | 74 Ų | 74 | 49.6 Ų | 49.6 | 40% | 0.396 | 26% | 0.261 | S | S | . | . | trans | -71.1 | 84.6 | 164.7 | -172.5 | -25.1 | 0 | 0 | 0 | 109.6 | V303 K304 G305 | D301-V303 PolarHBondContact O-N 3.31Å; D301-V303 PolarHBondContact OD1-N 3.01Å; D301-K304 HydrophobicContact CB-CB 4.48Å; D301-K304 PolarHBondContact OD1-N 3.42Å; D301-K304 WeakPolarHBondContact OD2-CD 3.48Å; D301-K304 WeakPolarHBondContact OD2-CG 3.45Å; D301-K304 IonicContact OD2-NZ 2.69Å; D301-K304 PolarHBondContact OD2-NZ 2.88Å; D301-G305 WeakPolarHBondContact O-CA 3.46Å; D301-G305 PolarHBondContact O-N 3.08Å | ||
| 302 | L | 91.9 | Very high | 92 | Very high | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -24.3 | -178.3 | -68.3 | 179.1 | 0 | 0 | 0 | 113.3 | Y194 L201 F266 A269 Q270 L297 V300 | Y194-L302 PolarHBondContact N-O 3.15Å; L201-L302 HydrophobicContact CD1-CD2 3.83Å; F266-L302 HydrophobicContact CE2-CB 4.04Å; F266-L302 HydrophobicContact CE2-CD1 4.42Å; A269-L302 HydrophobicContact CB-CD1 4.08Å; Q270-L302 HydrophobicContact CG-CD1 4.05Å; L297-L302 HydrophobicContact CB-CD1 4.42Å; L297-L302 HydrophobicContact CB-CD2 4.44Å; L297-L302 HydrophobicContact CD2-CD2 4.27Å; V300-L302 HydrophobicContact CB-CD2 4.25Å; V300-L302 HydrophobicContact CG1-CD2 3.88Å; V300-L302 HydrophobicContact CG1-CG 4.44Å; V300-L302 PolarHBondContact O-N 2.83Å |
| 303 | V | 90.8 | Very high | 91.8 | Very high | 70 Ų | 70 | 50.7 Ų | 50.7 | 42% | 0.424 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -46.9 | -175.9 | -178.1 | 0 | 0 | 0 | 0 | 110.8 | L196 F266 D301 G305 | L196-V303 HydrophobicContact CD1-CG1 3.96Å; L196-V303 HydrophobicContact CD1-CG2 4.08Å; F266-V303 HydrophobicContact CE2-CG2 3.74Å; F266-V303 HydrophobicContact CZ-CG2 3.96Å; D301-V303 PolarHBondContact O-N 3.31Å; D301-V303 PolarHBondContact OD1-N 3.01Å; V303-G305 PolarHBondContact O-N 3.1Å |
| 304 | K | 90.3 | Very high | 91 | Very high | 163 Ų | 163 | 52.7 Ų | 52.7 | 71% | 0.709 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -32.8 | 168.5 | -64.7 | -167.7 | -169 | 86.5 | 0 | 111 | D301 | D301-K304 HydrophobicContact CB-CB 4.48Å; D301-K304 PolarHBondContact OD1-N 3.42Å; D301-K304 WeakPolarHBondContact OD2-CD 3.48Å; D301-K304 WeakPolarHBondContact OD2-CG 3.45Å; D301-K304 IonicContact OD2-NZ 2.69Å; D301-K304 PolarHBondContact OD2-NZ 2.88Å |
| 305 | G | 88.4 | Confident | 89.9 | Confident | 22 Ų | 22 | 51.7 Ų | 51.7 | 23% | 0.227 | 27% | 0.273 | C | S | . | . | trans | 70.6 | 173.3 | -167.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T192 D301 V303 | T192-G305 CarbonylContact O-C 3.58Å; T192-G305 WeakPolarHBondContact O-CA 3.38Å; D301-G305 WeakPolarHBondContact O-CA 3.46Å; D301-G305 PolarHBondContact O-N 3.08Å; V303-G305 PolarHBondContact O-N 3.1Å | ||
| 306 | G | 89.6 | Confident | 87.9 | Confident | 25 Ų | 25 | 55 Ų | 55 | 26% | 0.258 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 170.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S191 T192 W308 | S191-G306 CarbonylContact C-O 3.22Å; S191-G306 WeakPolarHBondContact CA-O 3.44Å; S191-G306 WeakPolarHBondContact CB-O 3.38Å; T192-G306 PolarHBondContact N-O 3.36Å; T192-G306 PolarHBondContact O-N 2.62Å; G306-W308 WeakPolarHBondContact O-CH2 3.34Å; G306-W308 WeakPolarHBondContact O-CZ3 3.14Å |
| 307 | H | 93.7 | Very high | 85.5 | Confident | 122 Ų | 122 | 61.4 Ų | 61.4 | 57% | 0.565 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 140.9 | 171.1 | 71.6 | 156.5 | 0 | 0 | 0 | 110.1 | H189 F190 I206 | H189-H307 AromaticContact CE1-ND1 3.5Å; H189-H307 PolarHBondContact CE1-ND1 3.08Å; H189-H307 AromaticContact NE2-CE1 3.93Å; H189-H307 AromaticContact NE2-CG 3.73Å; H189-H307 AromaticContact NE2-ND1 3.17Å; H189-H307 PolarHBondContact NE2-ND1 2.97Å; H189-H307 VanDerWaalsContact NE2-ND1 3.17Å; F190-H307 CarbonylContact O-C 3.58Å; F190-H307 WeakPolarHBondContact O-CA 3.49Å; F190-H307 WeakPolarHBondContact O-CB 3.48Å; I206-H307 HydrophobicContact CD1-CB 4.45Å |
| 308 | W | 93.9 | Very high | 82.9 | Confident | 73 Ų | 73 | 66.4 Ų | 66.4 | 28% | 0.277 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 140.3 | -173.1 | -52.7 | -89.7 | 0 | 0 | 0 | 110.3 | H189 F190 T192 V300 G306 K310 | H189-W308 WeakPolarHBondContact CA-O 3.47Å; H189-W308 PolarHBondContact CD2-O 2.94Å; F190-W308 HydrophobicContact CD2-CE3 4.06Å; F190-W308 HydrophobicContact CE1-CB 4.39Å; F190-W308 AromaticContact CE2-CE3 3.61Å; F190-W308 HydrophobicContact CE2-CE3 3.61Å; F190-W308 HydrophobicContact CE2-CZ3 4.2Å; F190-W308 HydrophobicContact CZ-CB 4.19Å; F190-W308 HydrophobicContact CZ-CE3 4.14Å; F190-W308 PolarHBondContact N-O 2.94Å; F190-W308 PolarHBondContact O-N 3.4Å; T192-W308 HydrophobicContact CG2-CZ3 4.03Å; T192-W308 WeakPolarHBondContact OG1-CH2 3.34Å; T192-W308 VanDerWaalsContact OG1-CZ3 3.24Å; T192-W308 WeakPolarHBondContact OG1-CZ3 3.47Å; V300-W308 HydrophobicContact CB-CH2 4.49Å; V300-W308 HydrophobicContact CB-CZ2 4.44Å; V300-W308 HydrophobicContact CG1-CH2 3.45Å; V300-W308 VanDerWaalsContact CG1-CH2 3.45Å; V300-W308 HydrophobicContact CG1-CZ2 3.62Å; V300-W308 HydrophobicContact CG2-CH2 4.18Å; V300-W308 HydrophobicContact CG2-CZ2 4.03Å; G306-W308 WeakPolarHBondContact O-CH2 3.34Å; G306-W308 WeakPolarHBondContact O-CZ3 3.14Å; W308-K310 HydrophobicContact CB-CG 4.47Å |
| 309 | W | 95.5 | Very high | 80.9 | Confident | 70 Ų | 70 | 67.5 Ų | 67.5 | 27% | 0.265 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 124.5 | 155.5 | -78.3 | 99.5 | 0 | 0 | 0 | 107.3 | M187 L188 H189 E207 R209 | M187-W309 HydrophobicContact CB-CE3 3.65Å; M187-W309 HydrophobicContact CB-CZ3 4.01Å; M187-W309 HydrophobicContact CE-CB 3.92Å; M187-W309 HydrophobicContact SD-CE3 4.45Å; L188-W309 WeakPolarHBondContact O-CA 3.32Å; H189-W309 HydrophobicContact CB-CD2 3.77Å; H189-W309 HydrophobicContact CB-CE3 3.77Å; H189-W309 HydrophobicContact CB-CH2 3.72Å; H189-W309 HydrophobicContact CB-CZ2 3.69Å; H189-W309 HydrophobicContact CB-CZ3 3.74Å; H189-W309 AromaticContact CD2-CD1 3.63Å; H189-W309 AromaticContact CD2-CD2 3.99Å; H189-W309 AromaticContact CD2-CE2 3.78Å; H189-W309 AromaticContact CD2-CG 3.95Å; H189-W309 AromaticContact CD2-NE1 3.5Å; H189-W309 AromaticContact CG-CE2 3.69Å; H189-W309 AromaticContact CG-CZ2 3.94Å; H189-W309 AromaticContact CG-NE1 3.83Å; H189-W309 AromaticContact NE2-NE1 3.79Å; E207-W309 HydrophobicContact CG-CH2 3.79Å; E207-W309 HydrophobicContact CG-CZ2 4.08Å; E207-W309 WeakPolarHBondContact OE1-CH2 3.22Å; E207-W309 WeakPolarHBondContact OE1-CZ2 3.29Å; R209-W309 HydrophobicContact CB-CH2 4.12Å; R209-W309 HydrophobicContact CB-CZ3 4.15Å; R209-W309 HydrophobicContact CG-CE3 4.37Å; R209-W309 HydrophobicContact CG-CH2 3.89Å; R209-W309 HydrophobicContact CG-CZ3 3.56Å |
| 310 | K | 94.6 | Very high | 79.3 | Confident | 59 Ų | 59 | 63.9 Ų | 63.9 | 26% | 0.257 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 141.4 | 169 | -75.3 | -157.5 | 163.9 | -150 | 0 | 110.7 | D176 M187 L188 F190 V293 V295 W308 | D176-K310 WeakPolarHBondContact OD1-CA 3.31Å; M187-K310 CarbonylContact C-O 3.52Å; M187-K310 VanDerWaalsContact CA-O 3.28Å; M187-K310 WeakPolarHBondContact CA-O 3.01Å; M187-K310 WeakPolarHBondContact CB-O 3.21Å; L188-K310 PolarHBondContact N-O 2.9Å; L188-K310 PolarHBondContact O-N 3.11Å; F190-K310 HydrophobicContact CE1-CB 4.29Å; F190-K310 HydrophobicContact CE1-CG 4.32Å; F190-K310 HydrophobicContact CZ-CD 4.47Å; F190-K310 HydrophobicContact CZ-CG 4.45Å; V293-K310 HydrophobicContact CG1-CB 3.67Å; V293-K310 HydrophobicContact CG1-CD 3.59Å; V293-K310 HydrophobicContact CG1-CG 4.13Å; V293-K310 HydrophobicContact CG2-CB 4.06Å; V295-K310 HydrophobicContact CG2-CD 3.9Å; W308-K310 HydrophobicContact CB-CG 4.47Å |
| 311 | A | 92.3 | Very high | 78.3 | Confident | 5 Ų | 5 | 69 Ų | 69 | 4% | 0.041 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 142.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | D176 I179 L180 I313 | D176-A311 HydrophobicContact CB-CB 4.06Å; D176-A311 WeakPolarHBondContact O-CB 3.48Å; D176-A311 WeakPolarHBondContact OD1-CB 3.39Å; D176-A311 PolarHBondContact OD1-N 3.29Å; I179-A311 HydrophobicContact CB-CB 3.84Å; I179-A311 HydrophobicContact CG2-CB 3.51Å; L180-A311 HydrophobicContact CD2-CB 4.3Å; L180-A311 HydrophobicContact CG-CB 3.89Å; A311-I313 PolarHBondContact O-N 3.26Å |
| 312 | L | 90.4 | Very high | 77.8 | Confident | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 116 | 176.6 | -75.9 | 162.7 | 0 | 0 | 0 | 109.2 | L185 G186 L188 L211 V278 V293 | L185-L312 HydrophobicContact CB-CB 3.79Å; L185-L312 VanDerWaalsContact O-CD1 3.26Å; L185-L312 WeakPolarHBondContact O-CD1 3.47Å; G186-L312 PolarHBondContact O-N 3.3Å; L188-L312 HydrophobicContact CB-CD2 4.4Å; L211-L312 HydrophobicContact CD2-CD1 3.43Å; L211-L312 VanDerWaalsContact CD2-CD1 3.43Å; V278-L312 HydrophobicContact CB-CD1 4.41Å; V278-L312 HydrophobicContact CB-CD2 4.14Å; V278-L312 HydrophobicContact CG2-CD1 4.09Å; V278-L312 HydrophobicContact CG2-CD2 3.52Å; V278-L312 HydrophobicContact CG2-CG 4.46Å; V293-L312 HydrophobicContact CG2-CD2 3.89Å |
| 313 | I | 85.6 | Confident | 77.5 | Confident | 38 Ų | 38 | 66.4 Ų | 66.4 | 20% | 0.195 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -79.1 | 146.2 | 167.9 | 56.2 | 163.9 | 0 | 0 | 0 | 109.3 | I179 G291 K292 A311 | I179-I313 HydrophobicContact CD1-CG2 4.03Å; I179-I313 HydrophobicContact CG1-CG2 4.5Å; I179-I313 HydrophobicContact CG2-CG2 3.87Å; G291-I313 CarbonylContact C-O 3.49Å; G291-I313 VanDerWaalsContact CA-O 3.27Å; G291-I313 WeakPolarHBondContact CA-O 3.46Å; K292-I313 HydrophobicContact CB-CG1 4.24Å; K292-I313 PolarHBondContact N-O 3.25Å; K292-I313 WeakPolarHBondContact O-CG1 3.45Å; K292-I313 PolarHBondContact O-N 3.41Å; A311-I313 PolarHBondContact O-N 3.26Å |
| 314 | P | 77 | Confident | 77.4 | Confident | 46 Ų | 46 | 65.3 Ų | 65.3 | 30% | 0.299 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 146.1 | 168.5 | 27.5 | -35.5 | 0 | 0 | 0 | 109.2 | Y183 L185 S316 | Y183-P314 HydrophobicContact CD1-CG 3.65Å; Y183-P314 HydrophobicContact CE1-CG 3.56Å; Y183-P314 HydrophobicContact CE2-CG 4.43Å; Y183-P314 HydrophobicContact CG-CG 4.13Å; L185-P314 HydrophobicContact CD1-CB 3.96Å; P314-S316 PolarHBondContact O-N 3.03Å |
| 315 | S | 68.5 | Low | 77.7 | Confident | 26 Ų | 26 | 57.5 Ų | 57.5 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -60 | 125.3 | 160.5 | 50.1 | 0 | 0 | 0 | 0 | 108.3 | Q317 | S315-Q317 PolarHBondContact O-N 3.05Š|
| 316 | S | 52.2 | Low | 78.1 | Confident | 76 Ų | 76 | 57 Ų | 57 | 53% | 0.531 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -47.9 | 142.1 | 172 | 51.8 | 0 | 0 | 0 | 0 | 110.3 | P314 N318 E319 | P314-S316 PolarHBondContact O-N 3.03Å; S316-N318 PolarHBondContact O-N 2.63Å; S316-E319 PolarHBondContact O-N 2.85Å; S316-E319 VanDerWaalsContact O-N 3.15Å |
| 317 | Q | 43.3 | Very low | 78.4 | Confident | 171 Ų | 171 | 55.9 Ų | 55.9 | 80% | 0.799 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -61.6 | 1.1 | -163.2 | -72.9 | 173.5 | -30.4 | 0 | 0 | 116.1 | S315 E319 | S315-Q317 PolarHBondContact O-N 3.05Å; Q317-E319 VanDerWaalsContact C-N 3.34Å |
| 318 | N | 40.7 | Very low | 78.6 | Confident | 105 Ų | 105 | 50.1 Ų | 50.1 | 56% | 0.561 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -84.7 | -2.4 | 174.5 | -54.2 | -25.8 | 0 | 0 | 0 | 113.5 | S316 | S316-N318 PolarHBondContact O-N 2.63Š|
| 319 | E | 50.3 | Low | 78.8 | Confident | 107 Ų | 107 | 46.7 Ų | 46.7 | 50% | 0.5 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -115.4 | 20.9 | 174.6 | -91.7 | -173.1 | -119.9 | 0 | 0 | 113.9 | K292 S316 Q317 E321 | K292-E319 IonicContact NZ-OE1 2.73Å; K292-E319 PolarHBondContact NZ-OE1 2.59Å; K292-E319 IonicContact NZ-OE2 3.71Å; K292-E319 PolarHBondContact NZ-OE2 2.81Å; S316-E319 PolarHBondContact O-N 2.85Å; S316-E319 VanDerWaalsContact O-N 3.15Å; Q317-E319 VanDerWaalsContact C-N 3.34Å; E319-E321 PolarHBondContact O-N 2.9Å |
| 320 | V | 55.8 | Low | 78.8 | Confident | 70 Ų | 70 | 44.6 Ų | 44.6 | 42% | 0.424 | 24% | 0.235 | S | C | . | . | trans | -70 | 101 | 155.3 | -171.8 | 0 | 0 | 0 | 0 | 106.2 | L322 L349 | V320-L322 HydrophobicContact CB-CD2 4.13Å; V320-L322 HydrophobicContact CG1-CD2 3.79Å; V320-L322 WeakPolarHBondContact O-CG 3.47Å; V320-L322 PolarHBondContact O-N 2.83Å; V320-L349 HydrophobicContact CG1-CD1 3.92Å; V320-L349 HydrophobicContact CG1-CD2 4.14Å | ||
| 321 | E | 67.6 | Low | 78.8 | Confident | 122 Ų | 122 | 42.4 Ų | 42.4 | 57% | 0.57 | 23% | 0.225 | S | C | * | . | trans | -59.2 | 112.8 | 172.3 | -62.7 | -172.4 | 167.3 | 0 | 0 | 108 | R286 E319 G323 | R286-E321 VanDerWaalsContact CZ-CB 3.49Å; R286-E321 IonicContact CZ-OE2 2.73Å; R286-E321 IonicContact NE-OE2 2.73Å; R286-E321 PolarHBondContact NE-OE2 3.49Å; R286-E321 PolarHBondContact NH1-O 3.2Å; R286-E321 PolarHBondContact NH2-O 2.94Å; R286-E321 IonicContact NH2-OE2 2.6Å; R286-E321 PolarHBondContact NH2-OE2 3.38Å; E319-E321 PolarHBondContact O-N 2.9Å; E321-G323 VanDerWaalsContact C-N 3.33Å | ||
| 322 | L | 81.6 | Confident | 78.8 | Confident | 19 Ų | 19 | 44.5 Ų | 44.5 | 10% | 0.099 | 24% | 0.236 | C | C | . | . | trans | -83.7 | -15.6 | -175 | -62.2 | 178.7 | 0 | 0 | 0 | 113.1 | V320 L349 I422 L457 R458 | V320-L322 HydrophobicContact CB-CD2 4.13Å; V320-L322 HydrophobicContact CG1-CD2 3.79Å; V320-L322 WeakPolarHBondContact O-CG 3.47Å; V320-L322 PolarHBondContact O-N 2.83Å; L322-L349 HydrophobicContact CD2-CB 4.33Å; L322-L349 HydrophobicContact CD2-CD2 3.67Å; L322-L349 PolarHBondContact O-N 2.95Å; L322-I422 WeakPolarHBondContact CB-O 3.38Å; L322-I422 WeakPolarHBondContact CD1-O 3.29Å; L322-I422 WeakPolarHBondContact O-CG2 3.38Å; L322-L457 HydrophobicContact CB-CB 3.78Å; L322-R458 WeakPolarHBondContact CD1-O 3.37Å | ||
| 323 | G | 85.9 | Confident | 78.9 | Confident | 3 Ų | 3 | 46.9 Ų | 46.9 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | trans | 135.8 | 170.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | R286 E321 L457 | R286-G323 VanDerWaalsContact NH2-CA 3.28Å; R286-G323 VanDerWaalsContact NH2-N 3.12Å; E321-G323 VanDerWaalsContact C-N 3.33Å; G323-L457 WeakPolarHBondContact O-CB 3.35Å; G323-L457 PolarHBondContact O-N 2.88Å | ||
| 324 | E | 89.1 | Confident | 79.1 | Confident | 47 Ų | 47 | 50.8 Ų | 50.8 | 22% | 0.22 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 143.5 | 164 | -54 | -158 | 100.5 | 0 | 0 | 110.1 | A345 K346 W454 H455 S456 | E324-A345 CarbonylContact O-C 3.36Å; E324-A345 WeakPolarHBondContact O-CA 3.27Å; E324-A345 WeakPolarHBondContact O-CB 3.31Å; E324-K346 HydrophobicContact CB-CG 4.12Å; E324-K346 PolarHBondContact N-O 3.26Å; E324-K346 VanDerWaalsContact N-O 3.08Å; E324-K346 PolarHBondContact O-N 2.75Å; E324-K346 WeakPolarHBondContact OE2-CE 3.45Å; E324-K346 IonicContact OE2-NZ 2.69Å; E324-K346 PolarHBondContact OE2-NZ 2.86Å; E324-W454 HydrophobicContact CB-CE3 3.76Å; E324-W454 HydrophobicContact CB-CZ3 4.14Å; E324-H455 CarbonylContact C-O 3.53Å; E324-H455 WeakPolarHBondContact CA-O 3.39Å; E324-S456 PolarHBondContact OE1-OG 3Å |
| 325 | L | 95.4 | Very high | 79.8 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 124.7 | -180 | -170.1 | 65.8 | 0 | 0 | 0 | 110 | L327 V342 A345 V361 F408 V410 I425 H455 L457 | L325-L327 HydrophobicContact CD2-CD1 4.2Å; L325-L327 HydrophobicContact CD2-CD2 3.83Å; L325-L327 HydrophobicContact CD2-CG 4.11Å; L325-L327 HydrophobicContact CG-CD2 3.92Å; L325-L327 HydrophobicContact CG-CG 4.05Å; L325-V342 HydrophobicContact CD1-CG1 4.11Å; L325-A345 HydrophobicContact CD1-CB 3.74Å; L325-V361 HydrophobicContact CD1-CG2 4.04Å; L325-V361 HydrophobicContact CD2-CG1 4.15Å; L325-F408 HydrophobicContact CD2-CB 4.19Å; L325-F408 HydrophobicContact CD2-CD1 4.4Å; L325-V410 HydrophobicContact CD2-CG2 4.38Å; L325-I425 HydrophobicContact CD2-CD1 4.33Å; L325-H455 PolarHBondContact N-O 2.73Å; L325-H455 PolarHBondContact O-N 3.08Å; L325-L457 HydrophobicContact CB-CD2 4.2Å |
| 326 | L | 96.4 | Very high | 81 | Confident | 12 Ų | 12 | 50.4 Ų | 50.4 | 6% | 0.063 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 118.1 | 173.6 | -179.1 | 57.8 | 0 | 0 | 0 | 109.4 | I343 R344 E452 W454 | L326-I343 HydrophobicContact CB-CB 4.45Å; L326-I343 HydrophobicContact CD2-CB 4.17Å; L326-I343 HydrophobicContact CD2-CD1 4.33Å; L326-I343 HydrophobicContact CD2-CG2 3.99Å; L326-I343 HydrophobicContact CG-CB 4.1Å; L326-I343 HydrophobicContact CG-CD1 4.11Å; L326-I343 HydrophobicContact CG-CG2 4.47Å; L326-I343 PolarHBondContact O-N 2.86Å; L326-I343 VanDerWaalsContact O-N 3.14Å; L326-R344 HydrophobicContact CB-CG 3.97Å; L326-R344 WeakPolarHBondContact CB-O 3.32Å; L326-R344 HydrophobicContact CD2-CG 4.05Å; L326-R344 PolarHBondContact N-O 3.08Å; L326-E452 HydrophobicContact CD1-CB 4.49Å; L326-W454 HydrophobicContact CB-CD2 3.83Å; L326-W454 HydrophobicContact CB-CE3 3.7Å; L326-W454 HydrophobicContact CB-CH2 3.86Å; L326-W454 HydrophobicContact CB-CZ2 3.99Å; L326-W454 HydrophobicContact CB-CZ3 3.7Å; L326-W454 HydrophobicContact CD1-CD2 4.12Å; L326-W454 HydrophobicContact CD1-CG 4.11Å; L326-W454 HydrophobicContact CD2-CZ2 4.03Å; L326-W454 HydrophobicContact CG-CD2 4.44Å; L326-W454 HydrophobicContact CG-CZ2 4.49Å |
| 327 | L | 97.6 | Very high | 83 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 137.3 | -178.2 | -64.7 | 177 | 0 | 0 | 0 | 110.9 | L325 V342 F408 I425 I427 H439 E452 Q453 | L325-L327 HydrophobicContact CD2-CD1 4.2Å; L325-L327 HydrophobicContact CD2-CD2 3.83Å; L325-L327 HydrophobicContact CD2-CG 4.11Å; L325-L327 HydrophobicContact CG-CD2 3.92Å; L325-L327 HydrophobicContact CG-CG 4.05Å; L327-V342 HydrophobicContact CD2-CB 4.39Å; L327-V342 HydrophobicContact CD2-CG1 4.45Å; L327-V342 HydrophobicContact CD2-CG2 3.94Å; L327-F408 HydrophobicContact CD1-CD1 3.85Å; L327-F408 HydrophobicContact CD1-CD2 3.89Å; L327-F408 HydrophobicContact CD1-CE1 3.67Å; L327-F408 HydrophobicContact CD1-CE2 3.72Å; L327-F408 HydrophobicContact CD1-CG 3.96Å; L327-F408 HydrophobicContact CD1-CZ 3.61Å; L327-F408 HydrophobicContact CD2-CD1 3.94Å; L327-F408 HydrophobicContact CD2-CE1 3.67Å; L327-F408 HydrophobicContact CD2-CZ 4.33Å; L327-F408 HydrophobicContact CG-CE1 4.32Å; L327-I425 HydrophobicContact CD1-CD1 3.86Å; L327-I427 HydrophobicContact CD1-CD1 3.68Å; L327-H439 WeakPolarHBondContact CB-CE1 3.28Å; L327-H439 PolarHBondContact O-CE1 2.67Å; L327-E452 WeakPolarHBondContact O-CA 3.17Å; L327-Q453 PolarHBondContact N-O 2.83Å; L327-Q453 VanDerWaalsContact N-O 3.07Å; L327-Q453 PolarHBondContact O-N 2.89Å |
| 328 | S | 97.4 | Very high | 85.5 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.014 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 134.7 | 163.7 | 154.2 | 0 | 0 | 0 | 0 | 109.2 | V340 D341 A450 V451 | S328-V340 WeakPolarHBondContact O-CA 3.44Å; S328-D341 VanDerWaalsContact CB-OD2 3.26Å; S328-D341 WeakPolarHBondContact CB-OD2 3.01Å; S328-D341 PolarHBondContact N-O 3.44Å; S328-D341 PolarHBondContact O-N 2.97Å; S328-D341 PolarHBondContact OG-OD2 3.01Å; S328-A450 WeakPolarHBondContact OG-CB 3.46Å; S328-V451 WeakPolarHBondContact CA-O 3.47Å |
| 329 | L | 96.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 133.3 | 175 | -63.6 | 179.2 | 0 | 0 | 0 | 110.5 | V340 L406 F408 I427 H439 W440 M443 V451 | L329-V340 HydrophobicContact CD2-CB 4.21Å; L329-V340 HydrophobicContact CD2-CG1 3.94Å; L329-V340 HydrophobicContact CD2-CG2 3.83Å; L329-L406 HydrophobicContact CD2-CD1 4.05Å; L329-F408 HydrophobicContact CD2-CZ 4.5Å; L329-I427 HydrophobicContact CD1-CD1 4.34Å; L329-I427 HydrophobicContact CD1-CG2 3.85Å; L329-H439 VanDerWaalsContact CG-CE1 3.42Å; L329-H439 WeakPolarHBondContact CG-CE1 3.48Å; L329-W440 HydrophobicContact CD1-CE3 4.41Å; L329-M443 HydrophobicContact CB-CB 4.17Å; L329-M443 HydrophobicContact CB-CG 3.91Å; L329-M443 HydrophobicContact CB-SD 3.78Å; L329-M443 HydrophobicContact CD1-SD 4.49Å; L329-V451 PolarHBondContact N-O 3.21Å; L329-V451 PolarHBondContact O-N 2.95Å |
| 330 | N | 95.4 | Very high | 90.4 | Very high | 26 Ų | 26 | 35.8 Ų | 35.8 | 14% | 0.139 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 125 | 177.4 | -175.9 | 1.3 | 0 | 0 | 0 | 110.2 | N339 R448 A450 | N330-N339 HydrophobicContact CB-CB 4.38Å; N330-N339 PolarHBondContact N-O 3.33Å; N330-N339 PolarHBondContact O-N 3.12Å; N330-R448 PolarHBondContact ND2-O 3.41Å; N330-A450 HydrophobicContact CB-CB 4.16Å |
| 331 | Y | 95.1 | Very high | 92.4 | Very high | 13 Ų | 13 | 34 Ų | 34 | 5% | 0.051 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 134.9 | 174.1 | -171.9 | -107.3 | 0 | 0 | 0 | 111.5 | P333 R337 L338 V396 Q398 L401 | Y331-P333 HydrophobicContact CD1-CB 4.44Å; Y331-P333 HydrophobicContact CD1-CG 3.76Å; Y331-P333 HydrophobicContact CE1-CB 3.97Å; Y331-P333 HydrophobicContact CE1-CG 3.79Å; Y331-P333 WeakPolarHBondContact O-CD 3.43Å; Y331-R337 WeakPolarHBondContact CD2-O 3.32Å; Y331-L338 HydrophobicContact CD2-CB 3.98Å; Y331-L338 HydrophobicContact CD2-CD1 4.31Å; Y331-L338 HydrophobicContact CE2-CB 4.43Å; Y331-V396 WeakPolarHBondContact CE2-O 3.48Å; Y331-V396 PolarHBondContact OH-O 3.33Å; Y331-Q398 WeakPolarHBondContact OH-CA 3.35Å; Y331-Q398 PolarHBondContact OH-N 2.98Å; Y331-L401 HydrophobicContact CD1-CD2 3.6Å; Y331-L401 HydrophobicContact CD2-CD1 3.9Å; Y331-L401 HydrophobicContact CD2-CD2 3.89Å; Y331-L401 HydrophobicContact CE1-CD2 3.55Å; Y331-L401 HydrophobicContact CE2-CD1 3.84Å; Y331-L401 HydrophobicContact CE2-CD2 3.85Å; Y331-L401 HydrophobicContact CE2-CG 4.39Å; Y331-L401 HydrophobicContact CG-CD2 3.79Å |
| 332 | L | 93.3 | Very high | 93.9 | Very high | 50 Ų | 50 | 28.2 Ų | 28.2 | 26% | 0.262 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 91 | 178.6 | -62.5 | 178.9 | 0 | 0 | 0 | 109.7 | S334 A335 G336 R337 | L332-S334 PolarHBondContact O-N 2.97Å; L332-A335 HydrophobicContact CB-CB 4.37Å; L332-A335 PolarHBondContact O-N 2.9Å; L332-A335 VanDerWaalsContact O-N 3.1Å; L332-G336 PolarHBondContact O-N 2.89Å; L332-G336 VanDerWaalsContact O-N 3.14Å; L332-R337 PolarHBondContact N-O 2.81Å; L332-R337 PolarHBondContact O-N 3.41Å |
| 333 | P | 91.4 | Very high | 94.5 | Very high | 51 Ų | 51 | 28.2 Ų | 28.2 | 33% | 0.331 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -55 | -48.5 | -175.7 | -25.6 | 32 | 0 | 0 | 0 | 113.3 | Y331 A335 G336 | Y331-P333 HydrophobicContact CD1-CB 4.44Å; Y331-P333 HydrophobicContact CD1-CG 3.76Å; Y331-P333 HydrophobicContact CE1-CB 3.97Å; Y331-P333 HydrophobicContact CE1-CG 3.79Å; Y331-P333 WeakPolarHBondContact O-CD 3.43Å; P333-A335 PolarHBondContact O-N 2.87Å; P333-G336 PolarHBondContact O-N 2.69Å |
| 334 | S | 90.3 | Very high | 94.9 | Very high | 120 Ų | 120 | 33.4 Ų | 33.4 | 84% | 0.839 | 18% | 0.182 | S | C | * | . | G | 310 helix | trans | -61.2 | -12.5 | -178.5 | -44.4 | 0 | 0 | 0 | 0 | 114.8 | L332 | L332-S334 PolarHBondContact O-N 2.97Š|
| 335 | A | 91.6 | Very high | 95.1 | Very high | 50 Ų | 50 | 31.3 Ų | 31.3 | 41% | 0.413 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -117.3 | -2.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L332 P333 R337 | L332-A335 HydrophobicContact CB-CB 4.37Å; L332-A335 PolarHBondContact O-N 2.9Å; L332-A335 VanDerWaalsContact O-N 3.1Å; P333-A335 PolarHBondContact O-N 2.87Å; A335-R337 VanDerWaalsContact C-N 3.27Å; A335-R337 HydrophobicContact CB-CB 4.34Å; A335-R337 HydrophobicContact CB-CG 4.37Å; A335-R337 PolarHBondContact O-N 2.91Å |
| 336 | G | 93.8 | Very high | 94.6 | Very high | 15 Ų | 15 | 33.9 Ų | 33.9 | 16% | 0.155 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 44.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L332 P333 K395 V396 | L332-G336 PolarHBondContact O-N 2.89Å; L332-G336 VanDerWaalsContact O-N 3.14Å; P333-G336 PolarHBondContact O-N 2.69Å; G336-K395 CarbonylContact O-C 3.45Å; G336-K395 WeakPolarHBondContact O-CA 3.41Å; G336-V396 CarbonylContact C-O 3.19Å; G336-V396 WeakPolarHBondContact CA-O 3.38Å; G336-V396 CarbonylContact O-C 3.6Å; G336-V396 PolarHBondContact O-N 3.41Å |
| 337 | R | 94.5 | Very high | 93.7 | Very high | 117 Ų | 117 | 36.2 Ų | 36.2 | 44% | 0.442 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 124.6 | -174.5 | -78.9 | -168.1 | -69 | -161.7 | -0.2 | 113.4 | Y331 L332 A335 S393 F394 | Y331-R337 WeakPolarHBondContact CD2-O 3.32Å; L332-R337 PolarHBondContact N-O 2.81Å; L332-R337 PolarHBondContact O-N 3.41Å; A335-R337 VanDerWaalsContact C-N 3.27Å; A335-R337 HydrophobicContact CB-CB 4.34Å; A335-R337 HydrophobicContact CB-CG 4.37Å; A335-R337 PolarHBondContact O-N 2.91Å; R337-S393 WeakPolarHBondContact CD-OG 3.43Å; R337-F394 WeakPolarHBondContact CA-O 3.44Å |
| 338 | L | 95.7 | Very high | 93 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 112.6 | 170.4 | 177.6 | 58.4 | 0 | 0 | 0 | 108.7 | Y331 V340 F394 V396 L406 W440 M443 | Y331-L338 HydrophobicContact CD2-CB 3.98Å; Y331-L338 HydrophobicContact CD2-CD1 4.31Å; Y331-L338 HydrophobicContact CE2-CB 4.43Å; L338-V340 HydrophobicContact CG-CG2 4.22Å; L338-F394 HydrophobicContact CB-CB 4.42Å; L338-F394 PolarHBondContact N-O 3.41Å; L338-F394 PolarHBondContact O-N 3.49Å; L338-V396 HydrophobicContact CB-CG2 4.18Å; L338-V396 HydrophobicContact CD2-CG2 4.39Å; L338-L406 HydrophobicContact CD2-CD1 3.82Å; L338-L406 HydrophobicContact CD2-CD2 4.31Å; L338-L406 HydrophobicContact CD2-CG 4.13Å; L338-L406 HydrophobicContact CG-CD1 4.39Å; L338-W440 HydrophobicContact CD1-CH2 4.4Å; L338-W440 HydrophobicContact CD1-CZ3 4.19Å; L338-W440 HydrophobicContact CD2-CH2 3.7Å; L338-W440 HydrophobicContact CD2-CZ3 3.94Å; L338-M443 HydrophobicContact CD1-CE 4.14Å; L338-M443 HydrophobicContact CD1-SD 3.38Å; L338-M443 WeakPolarHBondContact CD1-SD 3.3Å |
| 339 | N | 96.2 | Very high | 92.2 | Very high | 35 Ų | 35 | 39.1 Ų | 39.1 | 19% | 0.187 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 138.2 | 175.7 | -59.7 | -33.3 | 0 | 0 | 0 | 109.5 | N330 S393 | N330-N339 HydrophobicContact CB-CB 4.38Å; N330-N339 PolarHBondContact N-O 3.33Å; N330-N339 PolarHBondContact O-N 3.12Å; N339-S393 VanDerWaalsContact OD1-CB 3.22Å; N339-S393 WeakPolarHBondContact OD1-CB 3.43Å; N339-S393 PolarHBondContact OD1-OG 2.94Å |
| 340 | V | 97.7 | Very high | 91 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 115 | -172.9 | -179.3 | 0 | 0 | 0 | 0 | 107.4 | S328 L329 L338 F392 F394 L406 F408 | S328-V340 WeakPolarHBondContact O-CA 3.44Å; L329-V340 HydrophobicContact CD2-CB 4.21Å; L329-V340 HydrophobicContact CD2-CG1 3.94Å; L329-V340 HydrophobicContact CD2-CG2 3.83Å; L338-V340 HydrophobicContact CG-CG2 4.22Å; V340-F392 HydrophobicContact CB-CB 4.47Å; V340-F392 PolarHBondContact N-O 2.61Å; V340-F392 PolarHBondContact O-N 3.4Å; V340-F394 HydrophobicContact CB-CE2 4.47Å; V340-F394 HydrophobicContact CG2-CD2 4.07Å; V340-F394 HydrophobicContact CG2-CE2 4.1Å; V340-L406 HydrophobicContact CG2-CD1 3.48Å; V340-L406 VanDerWaalsContact CG2-CD1 3.48Å; V340-F408 HydrophobicContact CG1-CE1 3.52Å; V340-F408 HydrophobicContact CG1-CZ 3.6Å |
| 341 | D | 97.8 | Very high | 89.6 | Confident | 33 Ų | 33 | 44 Ų | 44 | 18% | 0.176 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 122.6 | 174.6 | -34.3 | -66.1 | 0 | 0 | 0 | 109.5 | S328 I343 E390 S391 | S328-D341 VanDerWaalsContact CB-OD2 3.26Å; S328-D341 WeakPolarHBondContact CB-OD2 3.01Å; S328-D341 PolarHBondContact N-O 3.44Å; S328-D341 PolarHBondContact O-N 2.97Å; S328-D341 PolarHBondContact OG-OD2 3.01Å; D341-I343 HydrophobicContact CB-CG1 4.38Å; D341-I343 PolarHBondContact O-N 3.27Å; D341-E390 WeakPolarHBondContact CA-O 3.21Å; D341-S391 WeakPolarHBondContact OD1-CA 3.2Å; D341-S391 WeakPolarHBondContact OD1-CB 3.18Å; D341-S391 PolarHBondContact OD1-OG 2.9Å |
| 342 | V | 98.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 100.3 | 171.1 | -177.7 | 0 | 0 | 0 | 0 | 106.4 | L325 L327 V361 I363 T377 Y388 N389 E390 F392 | L325-V342 HydrophobicContact CD1-CG1 4.11Å; L327-V342 HydrophobicContact CD2-CB 4.39Å; L327-V342 HydrophobicContact CD2-CG1 4.45Å; L327-V342 HydrophobicContact CD2-CG2 3.94Å; V342-V361 HydrophobicContact CG1-CB 4.26Å; V342-V361 HydrophobicContact CG1-CG2 3.86Å; V342-I363 HydrophobicContact CG2-CD1 3.6Å; V342-I363 HydrophobicContact CG2-CG1 4.23Å; V342-T377 HydrophobicContact CB-CG2 4.03Å; V342-T377 HydrophobicContact CG1-CG2 4.04Å; V342-T377 HydrophobicContact CG2-CG2 4.24Å; V342-Y388 HydrophobicContact CG1-CD2 3.72Å; V342-Y388 HydrophobicContact CG1-CE2 4.3Å; V342-Y388 HydrophobicContact CG1-CG 4.24Å; V342-Y388 WeakPolarHBondContact O-CB 3.07Å; V342-N389 WeakPolarHBondContact O-CA 3.4Å; V342-N389 PolarHBondContact O-N 2.99Å; V342-N389 VanDerWaalsContact O-N 3.08Å; V342-E390 PolarHBondContact N-O 3.34Å; V342-E390 PolarHBondContact O-N 2.84Å; V342-F392 HydrophobicContact CB-CE2 4.41Å; V342-F392 HydrophobicContact CG2-CD2 4.24Å; V342-F392 HydrophobicContact CG2-CE2 4.06Å |
| 343 | I | 95.6 | Very high | 85.8 | Confident | 19 Ų | 19 | 47.7 Ų | 47.7 | 10% | 0.097 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | -59.5 | -170.6 | -60.7 | 169.1 | 0 | 0 | 0 | 109.5 | L326 D341 F387 Y388 N389 E452 | L326-I343 HydrophobicContact CB-CB 4.45Å; L326-I343 HydrophobicContact CD2-CB 4.17Å; L326-I343 HydrophobicContact CD2-CD1 4.33Å; L326-I343 HydrophobicContact CD2-CG2 3.99Å; L326-I343 HydrophobicContact CG-CB 4.1Å; L326-I343 HydrophobicContact CG-CD1 4.11Å; L326-I343 HydrophobicContact CG-CG2 4.47Å; L326-I343 PolarHBondContact O-N 2.86Å; L326-I343 VanDerWaalsContact O-N 3.14Å; D341-I343 HydrophobicContact CB-CG1 4.38Å; D341-I343 PolarHBondContact O-N 3.27Å; I343-F387 HydrophobicContact CG2-CE2 4.29Å; I343-Y388 PolarHBondContact O-N 2.81Å; I343-N389 PolarHBondContact O-N 3.18Å; I343-E452 HydrophobicContact CD1-CG 3.91Å |
| 344 | R | 94 | Very high | 83.7 | Confident | 112 Ų | 112 | 50.2 Ų | 50.2 | 42% | 0.423 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 157.3 | 178.1 | 57.4 | 177.8 | 171.5 | 175.4 | -4.2 | 111.2 | L326 P386 F387 W454 | L326-R344 HydrophobicContact CB-CG 3.97Å; L326-R344 WeakPolarHBondContact CB-O 3.32Å; L326-R344 HydrophobicContact CD2-CG 4.05Å; L326-R344 PolarHBondContact N-O 3.08Å; R344-P386 CarbonylContact C-O 3.57Å; R344-P386 WeakPolarHBondContact CA-O 3.21Å; R344-P386 VanDerWaalsContact CB-O 3.27Å; R344-P386 WeakPolarHBondContact CB-O 3.39Å; R344-F387 HydrophobicContact CB-CD2 3.96Å; R344-W454 HydrophobicContact CG-CH2 3.82Å; R344-W454 HydrophobicContact CG-CZ2 4.4Å |
| 345 | A | 93.6 | Very high | 81.9 | Confident | 2 Ų | 2 | 51 Ų | 51 | 2% | 0.017 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 162.5 | 157.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | E324 L325 L348 D385 P386 | E324-A345 CarbonylContact O-C 3.36Å; E324-A345 WeakPolarHBondContact O-CA 3.27Å; E324-A345 WeakPolarHBondContact O-CB 3.31Å; L325-A345 HydrophobicContact CD1-CB 3.74Å; A345-L348 HydrophobicContact CB-CD1 3.91Å; A345-L348 HydrophobicContact CB-CD2 3.61Å; A345-L348 HydrophobicContact CB-CG 3.8Å; A345-D385 CarbonylContact O-C 3.58Å; A345-P386 HydrophobicContact CB-CG 3.74Å; A345-P386 PolarHBondContact N-O 3.15Å |
| 346 | K | 83.8 | Confident | 80.2 | Confident | 54 Ų | 54 | 49.5 Ų | 49.5 | 24% | 0.235 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 149.9 | 170.1 | 69.7 | -177.3 | 173.5 | 87.2 | 0 | 112.2 | E324 L348 I384 D385 W454 | E324-K346 HydrophobicContact CB-CG 4.12Å; E324-K346 PolarHBondContact N-O 3.26Å; E324-K346 VanDerWaalsContact N-O 3.08Å; E324-K346 PolarHBondContact O-N 2.75Å; E324-K346 WeakPolarHBondContact OE2-CE 3.45Å; E324-K346 IonicContact OE2-NZ 2.69Å; E324-K346 PolarHBondContact OE2-NZ 2.86Å; K346-L348 PolarHBondContact O-N 2.73Å; K346-L348 VanDerWaalsContact O-N 3.08Å; K346-I384 CarbonylContact C-O 3.54Å; K346-D385 WeakPolarHBondContact CA-OD1 3.42Å; K346-D385 VanDerWaalsContact CB-OD1 3.24Å; K346-D385 WeakPolarHBondContact CB-OD1 3.38Å; K346-W454 HydrophobicContact CB-CH2 4.08Å; K346-W454 HydrophobicContact CB-CZ3 4.23Å; K346-W454 HydrophobicContact CD-CE3 4.45Å; K346-W454 HydrophobicContact CD-CH2 3.53Å; K346-W454 HydrophobicContact CD-CZ2 3.99Å; K346-W454 HydrophobicContact CD-CZ3 3.81Å; K346-W454 HydrophobicContact CG-CE3 4.45Å; K346-W454 HydrophobicContact CG-CH2 3.74Å; K346-W454 HydrophobicContact CG-CZ3 3.63Å |
| 347 | Q | 78 | Confident | 78.9 | Confident | 61 Ų | 61 | 48.9 Ų | 48.9 | 29% | 0.285 | 25% | 0.25 | S | C | . | . | S | Bend | trans | 62 | 5.3 | 171.5 | -52.5 | 166.9 | -101.7 | 0 | 0 | 116.1 | R286 I384 D385 | R286-Q347 HydrophobicContact CG-CB 4.02Å; R286-Q347 PolarHBondContact NE-O 3.14Å; R286-Q347 PolarHBondContact NH1-O 2.74Å; Q347-I384 CarbonylContact C-O 3.58Å; Q347-I384 PolarHBondContact N-O 3.29Å; Q347-I384 VanDerWaalsContact N-O 3.12Å; Q347-D385 PolarHBondContact N-OD1 3.43Å |
| 348 | L | 83.8 | Confident | 78.6 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | trans | -36.3 | 143.5 | -167.4 | -65.4 | -177.8 | 0 | 0 | 0 | 115.5 | A345 K346 Q350 P359 I384 P386 V410 I422 L457 | A345-L348 HydrophobicContact CB-CD1 3.91Å; A345-L348 HydrophobicContact CB-CD2 3.61Å; A345-L348 HydrophobicContact CB-CG 3.8Å; K346-L348 PolarHBondContact O-N 2.73Å; K346-L348 VanDerWaalsContact O-N 3.08Å; L348-Q350 PolarHBondContact O-N 3.45Å; L348-P359 HydrophobicContact CD1-CB 3.44Å; L348-P359 VanDerWaalsContact CD1-CB 3.44Å; L348-P359 HydrophobicContact CD1-CG 3.92Å; L348-I384 HydrophobicContact CB-CB 4.33Å; L348-I384 WeakPolarHBondContact CB-O 3.44Å; L348-I384 WeakPolarHBondContact CG-O 3.14Å; L348-I384 PolarHBondContact N-O 3.36Å; L348-I384 WeakPolarHBondContact O-CB 3.32Å; L348-I384 VanDerWaalsContact O-CG2 3.32Å; L348-I384 WeakPolarHBondContact O-CG2 3.31Å; L348-P386 HydrophobicContact CD1-CG 3.72Å; L348-V410 HydrophobicContact CD1-CG1 3.85Å; L348-V410 HydrophobicContact CD2-CG1 4.19Å; L348-I422 HydrophobicContact CB-CG2 4.25Å; L348-I422 HydrophobicContact CD1-CD1 4.41Å; L348-I422 HydrophobicContact CD2-CG2 4.15Å; L348-L457 HydrophobicContact CD2-CD1 3.56Å | ||
| 349 | L | 80.3 | Confident | 78.4 | Confident | 61 Ų | 61 | 44.3 Ų | 44.3 | 32% | 0.319 | 23% | 0.234 | S | C | . | . | trans | -55.3 | 125 | 174.3 | -179.8 | 66.3 | 0 | 0 | 0 | 110.7 | V320 L322 I422 | V320-L349 HydrophobicContact CG1-CD1 3.92Å; V320-L349 HydrophobicContact CG1-CD2 4.14Å; L322-L349 HydrophobicContact CD2-CB 4.33Å; L322-L349 HydrophobicContact CD2-CD2 3.67Å; L322-L349 PolarHBondContact O-N 2.95Å; L349-I422 HydrophobicContact CB-CG2 4.27Å | ||
| 350 | Q | 71.6 | Confident | 78.3 | Confident | 89 Ų | 89 | 43.3 Ų | 43.3 | 42% | 0.416 | 23% | 0.228 | S | C | . | . | trans | -76.2 | 123.8 | 176.8 | -173.8 | 172.5 | -8.1 | 0 | 0 | 109.9 | L348 D352 S357 I384 | L348-Q350 PolarHBondContact O-N 3.45Å; Q350-D352 WeakPolarHBondContact CG-O 3.46Å; Q350-D352 PolarHBondContact NE2-O 2.85Å; Q350-S357 WeakPolarHBondContact CA-OG 3.46Å; Q350-I384 HydrophobicContact CB-CG2 4.3Å | ||
| 351 | T | 65.3 | Low | 78.3 | Confident | 41 Ų | 41 | 43.3 Ų | 43.3 | 25% | 0.252 | 23% | 0.228 | S | C | . | . | trans | -101.5 | -31.5 | -176.6 | 64 | 0 | 0 | 0 | 0 | 112.6 | S357 D420 I422 | T351-S357 PolarHBondContact N-OG 2.97Å; T351-S357 PolarHBondContact OG1-OG 2.76Å; T351-D420 VanDerWaalsContact CB-CB 3.45Å; T351-D420 HydrophobicContact CG2-CB 3.62Å; T351-D420 PolarHBondContact OG1-OD2 2.67Å; T351-I422 HydrophobicContact CG2-CD1 4.27Å; T351-I422 HydrophobicContact CG2-CG1 3.56Å | ||
| 352 | D | 58.4 | Low | 78.3 | Confident | 36 Ų | 36 | 43.9 Ų | 43.9 | 19% | 0.193 | 23% | 0.229 | C | C | . | . | trans | -112.4 | 115.9 | 172.3 | -166.9 | -40.5 | 0 | 0 | 0 | 110.2 | Q350 S354 Q355 G356 | Q350-D352 WeakPolarHBondContact CG-O 3.46Å; Q350-D352 PolarHBondContact NE2-O 2.85Å; D352-S354 VanDerWaalsContact C-N 3.28Å; D352-S354 PolarHBondContact O-N 3.12Å; D352-S354 WeakPolarHBondContact OD1-CA 3.38Å; D352-S354 WeakPolarHBondContact OD1-CB 3.22Å; D352-S354 PolarHBondContact OD1-N 3.46Å; D352-S354 PolarHBondContact OD1-OG 2.78Å; D352-Q355 PolarHBondContact OD1-N 3.12Å; D352-G356 WeakPolarHBondContact O-CA 3.24Å; D352-G356 PolarHBondContact O-N 2.9Å | ||
| 353 | V | 49.7 | Very low | 78.3 | Confident | 103 Ų | 103 | 43.9 Ų | 43.9 | 62% | 0.624 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -22.4 | -179.8 | -174.6 | 0 | 0 | 0 | 0 | 111.9 | ||
| 354 | S | 47.9 | Very low | 78.4 | Confident | 104 Ų | 104 | 43.2 Ų | 43.2 | 73% | 0.727 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -31.7 | -169.1 | 73.6 | 0 | 0 | 0 | 0 | 115.1 | D352 | D352-S354 VanDerWaalsContact C-N 3.28Å; D352-S354 PolarHBondContact O-N 3.12Å; D352-S354 WeakPolarHBondContact OD1-CA 3.38Å; D352-S354 WeakPolarHBondContact OD1-CB 3.22Å; D352-S354 PolarHBondContact OD1-N 3.46Å; D352-S354 PolarHBondContact OD1-OG 2.78Å |
| 355 | Q | 52.9 | Low | 78.6 | Confident | 138 Ų | 138 | 38.3 Ų | 38.3 | 65% | 0.645 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.7 | -9.9 | 176.4 | -68.3 | -162.2 | -27.9 | 0 | 0 | 114 | D352 | D352-Q355 PolarHBondContact OD1-N 3.12Š|
| 356 | G | 54.7 | Low | 78.8 | Confident | 18 Ų | 18 | 38.3 Ų | 38.3 | 19% | 0.186 | 21% | 0.207 | C | C | . | . | trans | 78.3 | 161.7 | -165.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D352 | D352-G356 WeakPolarHBondContact O-CA 3.24Å; D352-G356 PolarHBondContact O-N 2.9Å | ||
| 357 | S | 67.4 | Low | 79.3 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | trans | -73.7 | 140.8 | 174.8 | -65.3 | 0 | 0 | 0 | 0 | 111 | Q350 T351 P359 G382 T383 | Q350-S357 WeakPolarHBondContact CA-OG 3.46Å; T351-S357 PolarHBondContact N-OG 2.97Å; T351-S357 PolarHBondContact OG1-OG 2.76Å; S357-P359 WeakPolarHBondContact O-CD 3.25Å; S357-G382 CarbonylContact O-C 3.53Å; S357-G382 WeakPolarHBondContact O-CA 3.38Å; S357-G382 PolarHBondContact O-N 2.79Å; S357-T383 PolarHBondContact O-N 2.88Å | ||
| 358 | D | 87.2 | Confident | 79.9 | Confident | 21 Ų | 21 | 37.2 Ų | 37.2 | 11% | 0.112 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 72.4 | 167.5 | -82.1 | 14.4 | 0 | 0 | 0 | 109.8 | F379 L380 R381 G382 H413 | D358-F379 HydrophobicContact CB-CD2 4.11Å; D358-L380 CarbonylContact C-O 3.56Å; D358-L380 WeakPolarHBondContact CA-O 3.25Å; D358-R381 WeakPolarHBondContact OD1-CA 3.09Å; D358-R381 WeakPolarHBondContact OD2-CG 3.34Å; D358-G382 PolarHBondContact OD1-N 2.89Å; D358-H413 HydrophobicContact CB-CB 3.86Å; D358-H413 VanDerWaalsContact O-CB 3.31Å; D358-H413 WeakPolarHBondContact O-CB 3.45Å; D358-H413 PolarHBondContact O-N 2.95Å |
| 359 | P | 91.9 | Very high | 80.2 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 142.3 | -167.7 | 30.7 | -41.3 | 0 | 0 | 0 | 113.8 | L348 S357 F379 L380 T383 P386 Y388 F411 I422 | L348-P359 HydrophobicContact CD1-CB 3.44Å; L348-P359 VanDerWaalsContact CD1-CB 3.44Å; L348-P359 HydrophobicContact CD1-CG 3.92Å; S357-P359 WeakPolarHBondContact O-CD 3.25Å; P359-F379 WeakPolarHBondContact O-CA 3.21Å; P359-L380 WeakPolarHBondContact CD-O 3.3Å; P359-L380 PolarHBondContact O-N 2.77Å; P359-L380 VanDerWaalsContact O-N 3.16Å; P359-T383 WeakPolarHBondContact CD-O 3.37Å; P359-T383 HydrophobicContact CG-CG2 4.08Å; P359-T383 WeakPolarHBondContact CG-O 3.31Å; P359-P386 HydrophobicContact CB-CG 4.19Å; P359-P386 HydrophobicContact CG-CB 3.82Å; P359-P386 HydrophobicContact CG-CG 3.65Å; P359-Y388 VanDerWaalsContact C-OH 3.22Å; P359-Y388 WeakPolarHBondContact CB-OH 3.36Å; P359-Y388 PolarHBondContact O-OH 2.82Å; P359-Y388 VanDerWaalsContact O-OH 3.12Å; P359-F411 CarbonylContact C-O 3.44Å; P359-F411 VanDerWaalsContact CA-O 3.27Å; P359-F411 WeakPolarHBondContact CA-O 3.43Å; P359-I422 HydrophobicContact CB-CD1 4.33Å |
| 360 | F | 95.6 | Very high | 80.9 | Confident | 13 Ų | 13 | 44.1 Ų | 44.1 | 6% | 0.057 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 156.9 | 164.8 | 71.4 | -84 | 0 | 0 | 0 | 111.2 | K376 S378 F379 Y388 V410 F411 H413 N419 | F360-K376 HydrophobicContact CD2-CD 4.37Å; F360-K376 HydrophobicContact CE2-CD 4.01Å; F360-K376 HydrophobicContact CE2-CG 4.44Å; F360-S378 WeakPolarHBondContact CB-O 3.37Å; F360-F379 HydrophobicContact CB-CB 3.92Å; F360-F379 HydrophobicContact CD1-CB 4.41Å; F360-Y388 WeakPolarHBondContact CA-OH 3.42Å; F360-Y388 PolarHBondContact N-OH 2.83Å; F360-V410 WeakPolarHBondContact O-CA 3.12Å; F360-F411 HydrophobicContact CD1-CB 4.11Å; F360-F411 HydrophobicContact CE1-CB 3.53Å; F360-F411 HydrophobicContact CE1-CG 4.43Å; F360-F411 HydrophobicContact CE2-CB 4.18Å; F360-F411 HydrophobicContact CE2-CD2 4.03Å; F360-F411 HydrophobicContact CE2-CG 4.44Å; F360-F411 HydrophobicContact CZ-CB 3.56Å; F360-F411 HydrophobicContact CZ-CD2 4.02Å; F360-F411 AromaticContact CZ-CG 3.99Å; F360-F411 HydrophobicContact CZ-CG 3.99Å; F360-F411 PolarHBondContact N-O 2.81Å; F360-F411 PolarHBondContact O-N 3.35Å; F360-H413 HydrophobicContact CD1-CB 3.96Å; F360-H413 HydrophobicContact CE1-CB 4.02Å; F360-N419 HydrophobicContact CE1-CB 4.18Å; F360-N419 HydrophobicContact CZ-CB 4.34Å |
| 361 | V | 97.6 | Very high | 82.1 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 123.2 | 178.4 | -170.5 | 0 | 0 | 0 | 0 | 109.9 | L325 V342 I363 K376 T377 Y388 F408 V410 | L325-V361 HydrophobicContact CD1-CG2 4.04Å; L325-V361 HydrophobicContact CD2-CG1 4.15Å; V342-V361 HydrophobicContact CG1-CB 4.26Å; V342-V361 HydrophobicContact CG1-CG2 3.86Å; V361-I363 HydrophobicContact CG1-CG1 4.27Å; V361-K376 CarbonylContact O-C 3.59Å; V361-K376 VanDerWaalsContact O-CA 3.28Å; V361-K376 WeakPolarHBondContact O-CA 3.48Å; V361-T377 HydrophobicContact CB-CG2 3.99Å; V361-T377 HydrophobicContact CG2-CG2 4.47Å; V361-T377 PolarHBondContact N-OG1 2.88Å; V361-T377 PolarHBondContact O-N 3.16Å; V361-Y388 HydrophobicContact CG2-CD2 4.47Å; V361-Y388 HydrophobicContact CG2-CE2 3.77Å; V361-F408 HydrophobicContact CG1-CB 4.35Å; V361-F408 HydrophobicContact CG1-CD1 4.3Å; V361-V410 HydrophobicContact CG2-CG2 4.2Å |
| 362 | K | 97.6 | Very high | 83.5 | Confident | 45 Ų | 45 | 45.7 Ų | 45.7 | 20% | 0.196 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 127 | 166.7 | -169.2 | -161.7 | -72.8 | 177.5 | 0 | 108.6 | Q364 T374 K375 K376 F408 T409 F411 | K362-Q364 VanDerWaalsContact CD-CD 3.44Å; K362-Q364 HydrophobicContact CD-CG 3.88Å; K362-Q364 HydrophobicContact CG-CG 4.05Å; K362-T374 HydrophobicContact CD-CG2 3.91Å; K362-T374 HydrophobicContact CG-CG2 3.63Å; K362-K375 WeakPolarHBondContact CA-O 3.42Å; K362-K376 HydrophobicContact CB-CG 4.31Å; K362-K376 HydrophobicContact CG-CG 4.05Å; K362-F408 WeakPolarHBondContact O-CA 3.49Å; K362-T409 PolarHBondContact N-O 2.97Å; K362-T409 PolarHBondContact O-N 2.97Å; K362-F411 HydrophobicContact CB-CD2 4.26Å; K362-F411 HydrophobicContact CB-CE2 4.04Å; K362-F411 HydrophobicContact CD-CE2 4.3Å |
| 363 | I | 98.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 120.4 | -178.9 | -47.6 | 164.1 | 0 | 0 | 0 | 107.8 | V342 V361 T374 K375 F392 F394 L406 F408 | V342-I363 HydrophobicContact CG2-CD1 3.6Å; V342-I363 HydrophobicContact CG2-CG1 4.23Å; V361-I363 HydrophobicContact CG1-CG1 4.27Å; I363-T374 CarbonylContact O-C 3.56Å; I363-T374 WeakPolarHBondContact O-CA 3.32Å; I363-K375 PolarHBondContact N-O 2.92Å; I363-K375 PolarHBondContact O-N 2.78Å; I363-F392 HydrophobicContact CD1-CB 4.24Å; I363-F392 HydrophobicContact CD1-CD1 4.35Å; I363-F392 HydrophobicContact CD1-CD2 3.2Å; I363-F392 HydrophobicContact CD1-CE2 3.51Å; I363-F392 HydrophobicContact CD1-CG 3.66Å; I363-F392 HydrophobicContact CD1-CZ 4.2Å; I363-F394 HydrophobicContact CB-CZ 4.27Å; I363-F394 HydrophobicContact CG2-CE2 3.98Å; I363-F394 HydrophobicContact CG2-CZ 3.73Å; I363-L406 HydrophobicContact CG2-CD2 4.37Å; I363-F408 HydrophobicContact CG1-CD1 4.02Å; I363-F408 HydrophobicContact CG1-CE1 4.18Å; I363-F408 HydrophobicContact CG2-CD1 4.12Å; I363-F408 HydrophobicContact CG2-CE1 3.84Å; I363-F408 HydrophobicContact CG2-CZ 4.33Å |
| 364 | Q | 98.1 | Very high | 87.6 | Confident | 6 Ų | 6 | 47.4 Ų | 47.4 | 3% | 0.028 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 114.5 | -173.3 | -67.4 | 179 | -97.5 | 0 | 0 | 110 | K362 L371 K373 T374 L406 V407 V473 | K362-Q364 VanDerWaalsContact CD-CD 3.44Å; K362-Q364 HydrophobicContact CD-CG 3.88Å; K362-Q364 HydrophobicContact CG-CG 4.05Å; Q364-L371 HydrophobicContact CB-CD1 3.81Å; Q364-L371 HydrophobicContact CG-CD1 4.23Å; Q364-K373 CarbonylContact C-O 3.55Å; Q364-K373 WeakPolarHBondContact CA-O 3.3Å; Q364-T374 HydrophobicContact CG-CG2 3.94Å; Q364-L406 WeakPolarHBondContact O-CA 3.41Å; Q364-V407 HydrophobicContact CB-CB 4.36Å; Q364-V407 PolarHBondContact N-O 2.85Å; Q364-V407 PolarHBondContact O-N 3.18Å; Q364-V473 HydrophobicContact CB-CB 4.48Å; Q364-V473 HydrophobicContact CB-CG1 3.74Å; Q364-V473 HydrophobicContact CG-CG1 4.34Å |
| 365 | L | 97.8 | Very high | 90 | Very high | 8 Ų | 8 | 45 Ų | 45 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 115.5 | 171.2 | 176.2 | 67.3 | 0 | 0 | 0 | 108.9 | V372 K373 F394 V396 A404 L406 | L365-V372 HydrophobicContact CD2-CB 4.38Å; L365-V372 HydrophobicContact CD2-CG1 4.45Å; L365-V372 HydrophobicContact CG-CB 4.42Å; L365-V372 PolarHBondContact O-N 3.27Å; L365-K373 HydrophobicContact CB-CB 4.4Å; L365-K373 PolarHBondContact N-O 2.93Å; L365-K373 PolarHBondContact O-N 3.3Å; L365-F394 HydrophobicContact CB-CD1 3.8Å; L365-F394 HydrophobicContact CB-CE1 3.93Å; L365-F394 HydrophobicContact CD2-CB 4.25Å; L365-F394 HydrophobicContact CD2-CD1 3.99Å; L365-F394 HydrophobicContact CD2-CG 4.46Å; L365-F394 HydrophobicContact CG-CD1 4.49Å; L365-V396 HydrophobicContact CD1-CG2 4.23Å; L365-V396 HydrophobicContact CD2-CG2 3.83Å; L365-A404 HydrophobicContact CD1-CB 4.21Å; L365-L406 HydrophobicContact CB-CD2 4.2Å; L365-L406 HydrophobicContact CD1-CD2 3.99Å |
| 366 | V | 97.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 135.5 | 169.3 | -179.8 | 0 | 0 | 0 | 0 | 107.9 | K370 A404 S405 V407 A469 E472 V473 | V366-K370 CarbonylContact C-O 3.54Å; V366-K370 VanDerWaalsContact CA-O 3.29Å; V366-K370 WeakPolarHBondContact CA-O 3.34Å; V366-A404 CarbonylContact O-C 3.49Å; V366-A404 WeakPolarHBondContact O-CA 3.43Å; V366-S405 PolarHBondContact N-O 2.95Å; V366-S405 PolarHBondContact O-N 3.48Å; V366-V407 HydrophobicContact CG2-CG2 4.12Å; V366-A469 HydrophobicContact CB-CB 4.14Å; V366-A469 HydrophobicContact CG1-CB 3.98Å; V366-A469 HydrophobicContact CG2-CB 4.4Å; V366-E472 HydrophobicContact CG1-CB 4.13Å; V366-E472 HydrophobicContact CG1-CG 4.29Å; V366-E472 HydrophobicContact CG2-CB 4.3Å; V366-V473 HydrophobicContact CG2-CG1 3.56Å |
| 367 | H | 94.3 | Very high | 94.1 | Very high | 51 Ų | 51 | 43.5 Ų | 43.5 | 24% | 0.236 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 132.6 | 172.8 | 171.9 | 85.9 | 0 | 0 | 0 | 108.8 | L369 K370 V372 E400 N403 | H367-L369 PolarHBondContact O-N 3.19Å; H367-K370 PolarHBondContact N-O 3.38Å; H367-K370 PolarHBondContact O-N 2.86Å; H367-V372 HydrophobicContact CB-CG2 3.73Å; H367-E400 VanDerWaalsContact CE1-CB 3.49Å; H367-E400 WeakPolarHBondContact CE1-CB 3.29Å; H367-E400 PolarHBondContact CE1-O 2.9Å; H367-E400 VanDerWaalsContact CE1-O 3.29Å; H367-E400 PolarHBondContact ND1-O 3.42Å; H367-N403 WeakPolarHBondContact CA-O 3.45Å |
| 368 | G | 90.2 | Very high | 95.4 | Very high | 41 Ų | 41 | 46.2 Ų | 46.2 | 42% | 0.423 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 38.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | K370 N403 | G368-K370 VanDerWaalsContact C-N 3.34Å; G368-K370 PolarHBondContact O-N 2.65Å; G368-N403 PolarHBondContact N-O 3.03Å; G368-N403 VanDerWaalsContact N-O 3.12Å |
| 369 | L | 91.4 | Very high | 95.6 | Very high | 59 Ų | 59 | 49.2 Ų | 49.2 | 31% | 0.309 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 42.8 | -172.8 | -55.1 | 179.6 | 0 | 0 | 0 | 114 | H367 Y430 P468 E472 | H367-L369 PolarHBondContact O-N 3.19Å; L369-Y430 HydrophobicContact CD2-CD2 3.81Å; L369-Y430 HydrophobicContact CD2-CE1 4.33Å; L369-Y430 HydrophobicContact CD2-CE2 3.44Å; L369-Y430 VanDerWaalsContact CD2-CE2 3.44Å; L369-Y430 HydrophobicContact CD2-CG 4.39Å; L369-Y430 HydrophobicContact CG-CE2 4.1Å; L369-P468 HydrophobicContact CD1-CB 4.33Å; L369-P468 HydrophobicContact CD2-CB 3.65Å; L369-E472 HydrophobicContact CB-CG 4.18Å |
| 370 | K | 94 | Very high | 95.4 | Very high | 150 Ų | 150 | 51.8 Ų | 51.8 | 65% | 0.652 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 136.8 | 167.9 | -64.1 | -177.5 | -177.8 | 175.3 | 0 | 110.9 | V366 H367 G368 V372 | V366-K370 CarbonylContact C-O 3.54Å; V366-K370 VanDerWaalsContact CA-O 3.29Å; V366-K370 WeakPolarHBondContact CA-O 3.34Å; H367-K370 PolarHBondContact N-O 3.38Å; H367-K370 PolarHBondContact O-N 2.86Å; G368-K370 VanDerWaalsContact C-N 3.34Å; G368-K370 PolarHBondContact O-N 2.65Å; K370-V372 PolarHBondContact O-N 2.66Å; K370-V372 VanDerWaalsContact O-N 3.17Å |
| 371 | L | 96.3 | Very high | 94.8 | Very high | 73 Ų | 73 | 59.5 Ų | 59.5 | 38% | 0.382 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 110.3 | 172.6 | 176 | 55 | 0 | 0 | 0 | 110.7 | Q364 V473 | Q364-L371 HydrophobicContact CB-CD1 3.81Å; Q364-L371 HydrophobicContact CG-CD1 4.23Å; L371-V473 HydrophobicContact CD1-CG1 4.14Å |
| 372 | V | 95.4 | Very high | 93.9 | Very high | 90 Ų | 90 | 61.8 Ų | 61.8 | 55% | 0.545 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -45.4 | 179.2 | -179.2 | 0 | 0 | 0 | 0 | 111.5 | L365 H367 K370 | L365-V372 HydrophobicContact CD2-CB 4.38Å; L365-V372 HydrophobicContact CD2-CG1 4.45Å; L365-V372 HydrophobicContact CG-CB 4.42Å; L365-V372 PolarHBondContact O-N 3.27Å; H367-V372 HydrophobicContact CB-CG2 3.73Å; K370-V372 PolarHBondContact O-N 2.66Å; K370-V372 VanDerWaalsContact O-N 3.17Å |
| 373 | K | 96.6 | Very high | 93.1 | Very high | 114 Ų | 114 | 61.4 Ų | 61.4 | 50% | 0.496 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 131.8 | -172.5 | -164.2 | 158.9 | -168.2 | 159.3 | 0 | 113.5 | Q364 L365 F394 | Q364-K373 CarbonylContact C-O 3.55Å; Q364-K373 WeakPolarHBondContact CA-O 3.3Å; L365-K373 HydrophobicContact CB-CB 4.4Å; L365-K373 PolarHBondContact N-O 2.93Å; L365-K373 PolarHBondContact O-N 3.3Å; K373-F394 HydrophobicContact CB-CD1 4.34Å; K373-F394 HydrophobicContact CB-CE1 4.3Å; K373-F394 HydrophobicContact CD-CD1 4.45Å; K373-F394 HydrophobicContact CG-CD1 4.49Å; K373-F394 HydrophobicContact CG-CE1 4.35Å |
| 374 | T | 97.8 | Very high | 92.3 | Very high | 61 Ų | 61 | 63 Ų | 63 | 37% | 0.374 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 140.6 | 171 | -59.1 | 0 | 0 | 0 | 0 | 110.7 | K362 I363 Q364 | K362-T374 HydrophobicContact CD-CG2 3.91Å; K362-T374 HydrophobicContact CG-CG2 3.63Å; I363-T374 CarbonylContact O-C 3.56Å; I363-T374 WeakPolarHBondContact O-CA 3.32Å; Q364-T374 HydrophobicContact CG-CG2 3.94Å |
| 375 | K | 98.1 | Very high | 91.6 | Very high | 52 Ų | 52 | 66.6 Ų | 66.6 | 23% | 0.226 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 166.6 | 164.5 | -61.1 | -162.9 | -173.1 | -174.1 | 0 | 109.7 | K362 I363 F392 S393 F394 | K362-K375 WeakPolarHBondContact CA-O 3.42Å; I363-K375 PolarHBondContact N-O 2.92Å; I363-K375 PolarHBondContact O-N 2.78Å; K375-F392 HydrophobicContact CB-CD1 4.03Å; K375-F392 HydrophobicContact CB-CE1 4.36Å; K375-F392 HydrophobicContact CD-CB 4.05Å; K375-F392 HydrophobicContact CD-CD1 3.58Å; K375-F392 HydrophobicContact CD-CG 4.2Å; K375-F392 HydrophobicContact CG-CD1 4.49Å; K375-S393 WeakPolarHBondContact CE-O 3.32Å; K375-S393 PolarHBondContact NZ-O 3.23Å; K375-F394 HydrophobicContact CB-CZ 4.28Å; K375-F394 HydrophobicContact CD-CE1 4.21Å; K375-F394 HydrophobicContact CD-CE2 4.4Å; K375-F394 HydrophobicContact CD-CZ 3.91Å; K375-F394 HydrophobicContact CG-CE1 4.02Å; K375-F394 HydrophobicContact CG-CZ 3.91Å |
| 376 | K | 97 | Very high | 91.3 | Very high | 113 Ų | 113 | 66.3 Ų | 66.3 | 49% | 0.491 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 149.1 | 177.3 | -64.3 | 179.4 | -178 | -179.7 | 0 | 109.5 | F360 V361 K362 F392 | F360-K376 HydrophobicContact CD2-CD 4.37Å; F360-K376 HydrophobicContact CE2-CD 4.01Å; F360-K376 HydrophobicContact CE2-CG 4.44Å; V361-K376 CarbonylContact O-C 3.59Å; V361-K376 VanDerWaalsContact O-CA 3.28Å; V361-K376 WeakPolarHBondContact O-CA 3.48Å; K362-K376 HydrophobicContact CB-CG 4.31Å; K362-K376 HydrophobicContact CG-CG 4.05Å; K376-F392 WeakPolarHBondContact O-CE1 3.49Å |
| 377 | T | 97.4 | Very high | 91.1 | Very high | 12 Ų | 12 | 72.2 Ų | 72.2 | 7% | 0.074 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 170 | 162.8 | 62.3 | 0 | 0 | 0 | 0 | 111.3 | V342 V361 Y388 E390 F392 | V342-T377 HydrophobicContact CB-CG2 4.03Å; V342-T377 HydrophobicContact CG1-CG2 4.04Å; V342-T377 HydrophobicContact CG2-CG2 4.24Å; V361-T377 HydrophobicContact CB-CG2 3.99Å; V361-T377 HydrophobicContact CG2-CG2 4.47Å; V361-T377 PolarHBondContact N-OG1 2.88Å; V361-T377 PolarHBondContact O-N 3.16Å; T377-Y388 HydrophobicContact CG2-CD1 4.17Å; T377-Y388 HydrophobicContact CG2-CG 4.29Å; T377-E390 VanDerWaalsContact CA-OE2 3.26Å; T377-E390 WeakPolarHBondContact CA-OE2 3.34Å; T377-E390 WeakPolarHBondContact CB-OE1 3.45Å; T377-E390 HydrophobicContact CG2-CB 4.42Å; T377-F392 HydrophobicContact CG2-CE2 3.84Å; T377-F392 HydrophobicContact CG2-CZ 3.87Å |
| 378 | S | 94.8 | Very high | 91.2 | Very high | 59 Ų | 59 | 70.7 Ų | 70.7 | 41% | 0.413 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 159.2 | 151.9 | 68 | 0 | 0 | 0 | 0 | 111 | F360 Y388 E390 | F360-S378 WeakPolarHBondContact CB-O 3.37Å; S378-Y388 WeakPolarHBondContact O-CE1 3.31Å; S378-E390 VanDerWaalsContact CB-OE1 3.27Å; S378-E390 WeakPolarHBondContact CB-OE1 3.37Å; S378-E390 PolarHBondContact N-OE1 3.2Å; S378-E390 PolarHBondContact N-OE2 2.87Å; S378-E390 PolarHBondContact OG-OE1 2.86Å |
| 379 | F | 91.1 | Very high | 91.4 | Very high | 84 Ų | 84 | 73.6 Ų | 73.6 | 37% | 0.368 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -97.9 | 139.5 | 168.4 | 67.7 | -83 | 0 | 0 | 0 | 109.1 | D358 P359 F360 R381 H413 | D358-F379 HydrophobicContact CB-CD2 4.11Å; P359-F379 WeakPolarHBondContact O-CA 3.21Å; F360-F379 HydrophobicContact CB-CB 3.92Å; F360-F379 HydrophobicContact CD1-CB 4.41Å; F379-R381 HydrophobicContact CD2-CG 4.22Å; F379-R381 HydrophobicContact CE2-CG 4.01Å; F379-H413 HydrophobicContact CB-CB 4.39Å; F379-H413 AromaticContact CD2-CD2 4Å; F379-H413 AromaticContact CE2-CD2 3.91Å |
| 380 | L | 86.3 | Confident | 91.8 | Very high | 54 Ų | 54 | 72.9 Ų | 72.9 | 28% | 0.283 | 37% | 0.366 | S | S | . | . | trans | -108 | 133.9 | 176.6 | -68.7 | 171.1 | 0 | 0 | 0 | 108.4 | D358 P359 T383 P386 F387 Y388 | D358-L380 CarbonylContact C-O 3.56Å; D358-L380 WeakPolarHBondContact CA-O 3.25Å; P359-L380 WeakPolarHBondContact CD-O 3.3Å; P359-L380 PolarHBondContact O-N 2.77Å; P359-L380 VanDerWaalsContact O-N 3.16Å; L380-T383 HydrophobicContact CB-CG2 3.86Å; L380-P386 HydrophobicContact CB-CB 4.3Å; L380-P386 HydrophobicContact CD1-CB 3.68Å; L380-F387 WeakPolarHBondContact CD1-O 3.27Å; L380-Y388 HydrophobicContact CD1-CD1 3.88Å; L380-Y388 HydrophobicContact CD1-CE1 4.1Å; L380-Y388 HydrophobicContact CD1-CG 4.39Å; L380-Y388 HydrophobicContact CG-CD1 4.33Å; L380-Y388 HydrophobicContact CG-CE1 4.35Å | ||
| 381 | R | 84.7 | Confident | 91.9 | Very high | 175 Ų | 175 | 70 Ų | 70 | 66% | 0.66 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -85 | 141.7 | -168.9 | -59.6 | -163.5 | -178.7 | -172.6 | -5.1 | 113.8 | D358 F379 T383 | D358-R381 WeakPolarHBondContact OD1-CA 3.09Å; D358-R381 WeakPolarHBondContact OD2-CG 3.34Å; F379-R381 HydrophobicContact CD2-CG 4.22Å; F379-R381 HydrophobicContact CE2-CG 4.01Å; R381-T383 VanDerWaalsContact C-N 3.33Å; R381-T383 PolarHBondContact O-N 3.48Å |
| 382 | G | 78.6 | Confident | 92 | Very high | 48 Ų | 48 | 67.5 Ų | 67.5 | 50% | 0.495 | 35% | 0.351 | S | S | . | . | S | Bend | trans | 53.3 | 42.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | S357 D358 | S357-G382 CarbonylContact O-C 3.53Å; S357-G382 WeakPolarHBondContact O-CA 3.38Å; S357-G382 PolarHBondContact O-N 2.79Å; D358-G382 PolarHBondContact OD1-N 2.89Å |
| 383 | T | 79.8 | Confident | 92.1 | Very high | 38 Ų | 38 | 65.4 Ų | 65.4 | 23% | 0.233 | 34% | 0.34 | C | S | . | . | trans | -140.1 | 142.5 | -176.7 | -176.1 | 0 | 0 | 0 | 0 | 112.7 | S357 P359 L380 R381 D385 P386 | S357-T383 PolarHBondContact O-N 2.88Å; P359-T383 WeakPolarHBondContact CD-O 3.37Å; P359-T383 HydrophobicContact CG-CG2 4.08Å; P359-T383 WeakPolarHBondContact CG-O 3.31Å; L380-T383 HydrophobicContact CB-CG2 3.86Å; R381-T383 VanDerWaalsContact C-N 3.33Å; R381-T383 PolarHBondContact O-N 3.48Å; T383-D385 PolarHBondContact OG1-N 3.05Å; T383-D385 VanDerWaalsContact OG1-N 3.12Å; T383-P386 HydrophobicContact CG2-CB 4.07Å | ||
| 384 | I | 82.4 | Confident | 92.1 | Very high | 32 Ų | 32 | 60 Ų | 60 | 16% | 0.164 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -103.5 | -5.4 | 169.9 | 60.8 | 172.2 | 0 | 0 | 0 | 112.5 | K346 Q347 L348 Q350 P386 | K346-I384 CarbonylContact C-O 3.54Å; Q347-I384 CarbonylContact C-O 3.58Å; Q347-I384 PolarHBondContact N-O 3.29Å; Q347-I384 VanDerWaalsContact N-O 3.12Å; L348-I384 HydrophobicContact CB-CB 4.33Å; L348-I384 WeakPolarHBondContact CB-O 3.44Å; L348-I384 WeakPolarHBondContact CG-O 3.14Å; L348-I384 PolarHBondContact N-O 3.36Å; L348-I384 WeakPolarHBondContact O-CB 3.32Å; L348-I384 VanDerWaalsContact O-CG2 3.32Å; L348-I384 WeakPolarHBondContact O-CG2 3.31Å; Q350-I384 HydrophobicContact CB-CG2 4.3Å; I384-P386 VanDerWaalsContact O-CD 3.31Å; I384-P386 WeakPolarHBondContact O-CD 3.11Å |
| 385 | D | 83.1 | Confident | 92 | Very high | 83 Ų | 83 | 65.8 Ų | 65.8 | 44% | 0.444 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -121.2 | 60.9 | 177 | -66.9 | -75.9 | 0 | 0 | 0 | 111.2 | A345 K346 Q347 T383 F387 | A345-D385 CarbonylContact O-C 3.58Å; K346-D385 WeakPolarHBondContact CA-OD1 3.42Å; K346-D385 VanDerWaalsContact CB-OD1 3.24Å; K346-D385 WeakPolarHBondContact CB-OD1 3.38Å; Q347-D385 PolarHBondContact N-OD1 3.43Å; T383-D385 PolarHBondContact OG1-N 3.05Å; T383-D385 VanDerWaalsContact OG1-N 3.12Å; D385-F387 PolarHBondContact O-N 2.94Å |
| 386 | P | 90.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | trans | -69.6 | 128.8 | -176.1 | 28.6 | -36.1 | 0 | 0 | 0 | 112.6 | R344 A345 L348 P359 L380 T383 I384 Y388 | R344-P386 CarbonylContact C-O 3.57Å; R344-P386 WeakPolarHBondContact CA-O 3.21Å; R344-P386 VanDerWaalsContact CB-O 3.27Å; R344-P386 WeakPolarHBondContact CB-O 3.39Å; A345-P386 HydrophobicContact CB-CG 3.74Å; A345-P386 PolarHBondContact N-O 3.15Å; L348-P386 HydrophobicContact CD1-CG 3.72Å; P359-P386 HydrophobicContact CB-CG 4.19Å; P359-P386 HydrophobicContact CG-CB 3.82Å; P359-P386 HydrophobicContact CG-CG 3.65Å; L380-P386 HydrophobicContact CB-CB 4.3Å; L380-P386 HydrophobicContact CD1-CB 3.68Å; T383-P386 HydrophobicContact CG2-CB 4.07Å; I384-P386 VanDerWaalsContact O-CD 3.31Å; I384-P386 WeakPolarHBondContact O-CD 3.11Å; P386-Y388 HydrophobicContact CB-CD2 4.27Å; P386-Y388 HydrophobicContact CB-CE1 4.05Å; P386-Y388 HydrophobicContact CB-CE2 3.65Å; P386-Y388 HydrophobicContact CG-CD2 4.46Å; P386-Y388 HydrophobicContact CG-CE2 3.54Å; P386-Y388 WeakPolarHBondContact CG-OH 3.14Å | ||
| 387 | F | 93.2 | Very high | 91.7 | Very high | 127 Ų | 127 | 60.4 Ų | 60.4 | 56% | 0.557 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 99.2 | 170.1 | -174.7 | -95 | 0 | 0 | 0 | 109.8 | I343 R344 L380 D385 N389 | I343-F387 HydrophobicContact CG2-CE2 4.29Å; R344-F387 HydrophobicContact CB-CD2 3.96Å; L380-F387 WeakPolarHBondContact CD1-O 3.27Å; D385-F387 PolarHBondContact O-N 2.94Å; F387-N389 HydrophobicContact CD1-CB 4.37Å; F387-N389 HydrophobicContact CE1-CB 3.71Å; F387-N389 HydrophobicContact CZ-CB 3.92Å |
| 388 | Y | 95.6 | Very high | 91.4 | Very high | 18 Ų | 18 | 65.7 Ų | 65.7 | 7% | 0.071 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | -52.8 | -175.4 | -58.2 | -79.5 | 0 | 0 | 0 | 111.9 | V342 I343 P359 F360 V361 T377 S378 L380 P386 E390 | V342-Y388 HydrophobicContact CG1-CD2 3.72Å; V342-Y388 HydrophobicContact CG1-CE2 4.3Å; V342-Y388 HydrophobicContact CG1-CG 4.24Å; V342-Y388 WeakPolarHBondContact O-CB 3.07Å; I343-Y388 PolarHBondContact O-N 2.81Å; P359-Y388 VanDerWaalsContact C-OH 3.22Å; P359-Y388 WeakPolarHBondContact CB-OH 3.36Å; P359-Y388 PolarHBondContact O-OH 2.82Å; P359-Y388 VanDerWaalsContact O-OH 3.12Å; F360-Y388 WeakPolarHBondContact CA-OH 3.42Å; F360-Y388 PolarHBondContact N-OH 2.83Å; V361-Y388 HydrophobicContact CG2-CD2 4.47Å; V361-Y388 HydrophobicContact CG2-CE2 3.77Å; T377-Y388 HydrophobicContact CG2-CD1 4.17Å; T377-Y388 HydrophobicContact CG2-CG 4.29Å; S378-Y388 WeakPolarHBondContact O-CE1 3.31Å; L380-Y388 HydrophobicContact CD1-CD1 3.88Å; L380-Y388 HydrophobicContact CD1-CE1 4.1Å; L380-Y388 HydrophobicContact CD1-CG 4.39Å; L380-Y388 HydrophobicContact CG-CD1 4.33Å; L380-Y388 HydrophobicContact CG-CE1 4.35Å; P386-Y388 HydrophobicContact CB-CD2 4.27Å; P386-Y388 HydrophobicContact CB-CE1 4.05Å; P386-Y388 HydrophobicContact CB-CE2 3.65Å; P386-Y388 HydrophobicContact CG-CD2 4.46Å; P386-Y388 HydrophobicContact CG-CE2 3.54Å; P386-Y388 WeakPolarHBondContact CG-OH 3.14Å; Y388-E390 VanDerWaalsContact C-N 3.3Å; Y388-E390 PolarHBondContact O-N 2.85Å |
| 389 | N | 95.9 | Very high | 91.3 | Very high | 102 Ų | 102 | 69.9 Ų | 69.9 | 55% | 0.545 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 50.4 | 44.8 | -172.2 | -161.2 | 51.4 | 0 | 0 | 0 | 113.6 | V342 I343 F387 | V342-N389 WeakPolarHBondContact O-CA 3.4Å; V342-N389 PolarHBondContact O-N 2.99Å; V342-N389 VanDerWaalsContact O-N 3.08Å; I343-N389 PolarHBondContact O-N 3.18Å; F387-N389 HydrophobicContact CD1-CB 4.37Å; F387-N389 HydrophobicContact CE1-CB 3.71Å; F387-N389 HydrophobicContact CZ-CB 3.92Å |
| 390 | E | 98 | Very high | 91.4 | Very high | 45 Ų | 45 | 70 Ų | 70 | 21% | 0.21 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 126.6 | -175.6 | -71.6 | -174.8 | -129.9 | 0 | 0 | 112.6 | D341 V342 T377 S378 Y388 F392 | D341-E390 WeakPolarHBondContact CA-O 3.21Å; V342-E390 PolarHBondContact N-O 3.34Å; V342-E390 PolarHBondContact O-N 2.84Å; T377-E390 VanDerWaalsContact CA-OE2 3.26Å; T377-E390 WeakPolarHBondContact CA-OE2 3.34Å; T377-E390 WeakPolarHBondContact CB-OE1 3.45Å; T377-E390 HydrophobicContact CG2-CB 4.42Å; S378-E390 VanDerWaalsContact CB-OE1 3.27Å; S378-E390 WeakPolarHBondContact CB-OE1 3.37Å; S378-E390 PolarHBondContact N-OE1 3.2Å; S378-E390 PolarHBondContact N-OE2 2.87Å; S378-E390 PolarHBondContact OG-OE1 2.86Å; Y388-E390 VanDerWaalsContact C-N 3.3Å; Y388-E390 PolarHBondContact O-N 2.85Å; E390-F392 HydrophobicContact CB-CE2 3.63Å; E390-F392 HydrophobicContact CB-CZ 3.78Å; E390-F392 WeakPolarHBondContact O-CD2 3.27Å; E390-F392 WeakPolarHBondContact O-CE2 3.29Å; E390-F392 WeakPolarHBondContact OE2-CZ 3.19Å |
| 391 | S | 97.2 | Very high | 91.6 | Very high | 89 Ų | 89 | 67.7 Ų | 67.7 | 62% | 0.622 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 132.3 | -178.1 | -65.1 | 0 | 0 | 0 | 0 | 113.7 | D341 | D341-S391 WeakPolarHBondContact OD1-CA 3.2Å; D341-S391 WeakPolarHBondContact OD1-CB 3.18Å; D341-S391 PolarHBondContact OD1-OG 2.9Å |
| 392 | F | 98 | Very high | 91.9 | Very high | 21 Ų | 21 | 65.4 Ų | 65.4 | 9% | 0.092 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 117.7 | -177.4 | -59.9 | -79.5 | 0 | 0 | 0 | 112.4 | V340 V342 I363 K375 K376 T377 E390 F394 | V340-F392 HydrophobicContact CB-CB 4.47Å; V340-F392 PolarHBondContact N-O 2.61Å; V340-F392 PolarHBondContact O-N 3.4Å; V342-F392 HydrophobicContact CB-CE2 4.41Å; V342-F392 HydrophobicContact CG2-CD2 4.24Å; V342-F392 HydrophobicContact CG2-CE2 4.06Å; I363-F392 HydrophobicContact CD1-CB 4.24Å; I363-F392 HydrophobicContact CD1-CD1 4.35Å; I363-F392 HydrophobicContact CD1-CD2 3.2Å; I363-F392 HydrophobicContact CD1-CE2 3.51Å; I363-F392 HydrophobicContact CD1-CG 3.66Å; I363-F392 HydrophobicContact CD1-CZ 4.2Å; K375-F392 HydrophobicContact CB-CD1 4.03Å; K375-F392 HydrophobicContact CB-CE1 4.36Å; K375-F392 HydrophobicContact CD-CB 4.05Å; K375-F392 HydrophobicContact CD-CD1 3.58Å; K375-F392 HydrophobicContact CD-CG 4.2Å; K375-F392 HydrophobicContact CG-CD1 4.49Å; K376-F392 WeakPolarHBondContact O-CE1 3.49Å; T377-F392 HydrophobicContact CG2-CE2 3.84Å; T377-F392 HydrophobicContact CG2-CZ 3.87Å; E390-F392 HydrophobicContact CB-CE2 3.63Å; E390-F392 HydrophobicContact CB-CZ 3.78Å; E390-F392 WeakPolarHBondContact O-CD2 3.27Å; E390-F392 WeakPolarHBondContact O-CE2 3.29Å; E390-F392 WeakPolarHBondContact OE2-CZ 3.19Å; F392-F394 HydrophobicContact CB-CE2 4.01Å |
| 393 | S | 96.8 | Very high | 92.6 | Very high | 46 Ų | 46 | 65.7 Ų | 65.7 | 32% | 0.322 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 127.6 | 174.8 | -164.9 | 0 | 0 | 0 | 0 | 113.2 | R337 N339 K375 | R337-S393 WeakPolarHBondContact CD-OG 3.43Å; N339-S393 VanDerWaalsContact OD1-CB 3.22Å; N339-S393 WeakPolarHBondContact OD1-CB 3.43Å; N339-S393 PolarHBondContact OD1-OG 2.94Å; K375-S393 WeakPolarHBondContact CE-O 3.32Å; K375-S393 PolarHBondContact NZ-O 3.23Å |
| 394 | F | 97.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 63.9 Ų | 63.9 | 0% | 0.004 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 140.8 | 173.1 | -63.7 | -95.4 | 0 | 0 | 0 | 109.5 | R337 L338 V340 I363 L365 K373 K375 F392 V396 L406 | R337-F394 WeakPolarHBondContact CA-O 3.44Å; L338-F394 HydrophobicContact CB-CB 4.42Å; L338-F394 PolarHBondContact N-O 3.41Å; L338-F394 PolarHBondContact O-N 3.49Å; V340-F394 HydrophobicContact CB-CE2 4.47Å; V340-F394 HydrophobicContact CG2-CD2 4.07Å; V340-F394 HydrophobicContact CG2-CE2 4.1Å; I363-F394 HydrophobicContact CB-CZ 4.27Å; I363-F394 HydrophobicContact CG2-CE2 3.98Å; I363-F394 HydrophobicContact CG2-CZ 3.73Å; L365-F394 HydrophobicContact CB-CD1 3.8Å; L365-F394 HydrophobicContact CB-CE1 3.93Å; L365-F394 HydrophobicContact CD2-CB 4.25Å; L365-F394 HydrophobicContact CD2-CD1 3.99Å; L365-F394 HydrophobicContact CD2-CG 4.46Å; L365-F394 HydrophobicContact CG-CD1 4.49Å; K373-F394 HydrophobicContact CB-CD1 4.34Å; K373-F394 HydrophobicContact CB-CE1 4.3Å; K373-F394 HydrophobicContact CD-CD1 4.45Å; K373-F394 HydrophobicContact CG-CD1 4.49Å; K373-F394 HydrophobicContact CG-CE1 4.35Å; K375-F394 HydrophobicContact CB-CZ 4.28Å; K375-F394 HydrophobicContact CD-CE1 4.21Å; K375-F394 HydrophobicContact CD-CE2 4.4Å; K375-F394 HydrophobicContact CD-CZ 3.91Å; K375-F394 HydrophobicContact CG-CE1 4.02Å; K375-F394 HydrophobicContact CG-CZ 3.91Å; F392-F394 HydrophobicContact CB-CE2 4.01Å; F394-V396 HydrophobicContact CB-CG2 4.22Å; F394-L406 HydrophobicContact CD2-CD2 4.4Å; F394-L406 HydrophobicContact CE2-CD2 4.27Å; F394-L406 HydrophobicContact CZ-CD2 4.49Å |
| 395 | K | 95.8 | Very high | 94.1 | Very high | 181 Ų | 181 | 62.3 Ų | 62.3 | 79% | 0.787 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 118.5 | 170 | -66.7 | -173.9 | 177.9 | -173.1 | 0 | 107.5 | G336 | G336-K395 CarbonylContact O-C 3.45Å; G336-K395 WeakPolarHBondContact O-CA 3.41Å |
| 396 | V | 95.2 | Very high | 94.8 | Very high | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.024 | 29% | 0.292 | C | S | . | . | trans | -143 | 104 | 178.6 | -173.3 | 0 | 0 | 0 | 0 | 106.5 | Y331 G336 L338 L365 F394 E400 L401 A404 | Y331-V396 WeakPolarHBondContact CE2-O 3.48Å; Y331-V396 PolarHBondContact OH-O 3.33Å; G336-V396 CarbonylContact C-O 3.19Å; G336-V396 WeakPolarHBondContact CA-O 3.38Å; G336-V396 CarbonylContact O-C 3.6Å; G336-V396 PolarHBondContact O-N 3.41Å; L338-V396 HydrophobicContact CB-CG2 4.18Å; L338-V396 HydrophobicContact CD2-CG2 4.39Å; L365-V396 HydrophobicContact CD1-CG2 4.23Å; L365-V396 HydrophobicContact CD2-CG2 3.83Å; F394-V396 HydrophobicContact CB-CG2 4.22Å; V396-E400 HydrophobicContact CG1-CB 4.17Å; V396-L401 HydrophobicContact CB-CD1 4.47Å; V396-L401 HydrophobicContact CG1-CB 4.2Å; V396-L401 HydrophobicContact CG1-CD1 3.9Å; V396-A404 HydrophobicContact CG1-CB 4.22Å | ||
| 397 | P | 94.4 | Very high | 95.1 | Very high | 48 Ų | 48 | 58.3 Ų | 58.3 | 31% | 0.312 | 29% | 0.292 | S | S | . | . | trans | -50.9 | 155.5 | 169.6 | -24.8 | 34.2 | 0 | 0 | 0 | 111.8 | E399 E400 L401 | P397-E399 WeakPolarHBondContact CB-OE2 3.43Å; P397-E399 PolarHBondContact O-N 3.32Å; P397-E400 HydrophobicContact CB-CB 4.35Å; P397-E400 HydrophobicContact CB-CG 4.25Å; P397-E400 WeakPolarHBondContact CD-OE2 3.43Å; P397-E400 HydrophobicContact CG-CG 4.23Å; P397-E400 PolarHBondContact O-N 2.71Å; P397-E400 VanDerWaalsContact O-N 3.14Å; P397-L401 PolarHBondContact O-N 2.81Å | ||
| 398 | Q | 91.4 | Very high | 95.4 | Very high | 123 Ų | 123 | 52.3 Ų | 52.3 | 58% | 0.575 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -67.7 | -32.1 | -174.8 | -177.8 | 171.7 | -21.1 | 0 | 0 | 111.4 | Y331 E400 L401 | Y331-Q398 WeakPolarHBondContact OH-CA 3.35Å; Y331-Q398 PolarHBondContact OH-N 2.98Å; Q398-E400 VanDerWaalsContact C-N 3.3Å; Q398-E400 PolarHBondContact O-N 3.04Å; Q398-L401 WeakPolarHBondContact O-CB 3.49Å; Q398-L401 PolarHBondContact O-N 2.94Å |
| 399 | E | 91.6 | Very high | 95.5 | Very high | 148 Ų | 148 | 51.4 Ų | 51.4 | 69% | 0.692 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -66.7 | -30.3 | 175.4 | -50.2 | 77.8 | -173.2 | 0 | 0 | 111.9 | P397 | P397-E399 WeakPolarHBondContact CB-OE2 3.43Å; P397-E399 PolarHBondContact O-N 3.32Å |
| 400 | E | 92.4 | Very high | 95.4 | Very high | 85 Ų | 85 | 46.6 Ų | 46.6 | 40% | 0.397 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -88.8 | -14.9 | -179.8 | -71.7 | -177.7 | -162.2 | 0 | 0 | 113.2 | H367 V396 P397 Q398 E402 N403 A404 | H367-E400 VanDerWaalsContact CE1-CB 3.49Å; H367-E400 WeakPolarHBondContact CE1-CB 3.29Å; H367-E400 PolarHBondContact CE1-O 2.9Å; H367-E400 VanDerWaalsContact CE1-O 3.29Å; H367-E400 PolarHBondContact ND1-O 3.42Å; V396-E400 HydrophobicContact CG1-CB 4.17Å; P397-E400 HydrophobicContact CB-CB 4.35Å; P397-E400 HydrophobicContact CB-CG 4.25Å; P397-E400 WeakPolarHBondContact CD-OE2 3.43Å; P397-E400 HydrophobicContact CG-CG 4.23Å; P397-E400 PolarHBondContact O-N 2.71Å; P397-E400 VanDerWaalsContact O-N 3.14Å; Q398-E400 VanDerWaalsContact C-N 3.3Å; Q398-E400 PolarHBondContact O-N 3.04Å; E400-E402 PolarHBondContact O-N 2.84Å; E400-N403 PolarHBondContact O-N 2.91Å; E400-A404 PolarHBondContact O-N 3.35Å |
| 401 | L | 91.6 | Very high | 95.2 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 4% | 0.037 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.7 | -34.4 | -170.1 | -171.7 | 66.7 | 0 | 0 | 0 | 113.1 | Y331 V396 P397 Q398 N403 A404 W440 L444 | Y331-L401 HydrophobicContact CD1-CD2 3.6Å; Y331-L401 HydrophobicContact CD2-CD1 3.9Å; Y331-L401 HydrophobicContact CD2-CD2 3.89Å; Y331-L401 HydrophobicContact CE1-CD2 3.55Å; Y331-L401 HydrophobicContact CE2-CD1 3.84Å; Y331-L401 HydrophobicContact CE2-CD2 3.85Å; Y331-L401 HydrophobicContact CE2-CG 4.39Å; Y331-L401 HydrophobicContact CG-CD2 3.79Å; V396-L401 HydrophobicContact CB-CD1 4.47Å; V396-L401 HydrophobicContact CG1-CB 4.2Å; V396-L401 HydrophobicContact CG1-CD1 3.9Å; P397-L401 PolarHBondContact O-N 2.81Å; Q398-L401 WeakPolarHBondContact O-CB 3.49Å; Q398-L401 PolarHBondContact O-N 2.94Å; L401-N403 PolarHBondContact O-N 2.86Å; L401-A404 WeakPolarHBondContact O-CB 3.34Å; L401-A404 PolarHBondContact O-N 3.29Å; L401-W440 HydrophobicContact CD1-CH2 3.79Å; L401-W440 HydrophobicContact CD1-CZ2 3.7Å; L401-W440 HydrophobicContact CG-CZ2 4.09Å; L401-L444 HydrophobicContact CD2-CD2 3.33Å; L401-L444 HydrophobicContact CG-CD2 4Å |
| 402 | E | 90.9 | Very high | 94.8 | Very high | 126 Ų | 126 | 41 Ų | 41 | 59% | 0.589 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -25.9 | 174.7 | 51.5 | 158.4 | -130.9 | 0 | 0 | 113.2 | E400 Q429 | E400-E402 PolarHBondContact O-N 2.84Å; E402-Q429 VanDerWaalsContact O-CB 3.29Å; E402-Q429 WeakPolarHBondContact O-CB 3.46Å; E402-Q429 WeakPolarHBondContact O-CG 3.47Å; E402-Q429 PolarHBondContact O-OE1 2.85Å |
| 403 | N | 93.7 | Very high | 94 | Very high | 54 Ų | 54 | 42.8 Ų | 42.8 | 29% | 0.289 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 9.4 | -179.5 | -66.7 | -59.4 | 0 | 0 | 0 | 112.5 | H367 G368 E400 L401 | H367-N403 WeakPolarHBondContact CA-O 3.45Å; G368-N403 PolarHBondContact N-O 3.03Å; G368-N403 VanDerWaalsContact N-O 3.12Å; E400-N403 PolarHBondContact O-N 2.91Å; L401-N403 PolarHBondContact O-N 2.86Å |
| 404 | A | 96.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 148.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L365 V366 V396 E400 L401 Q429 W440 | L365-A404 HydrophobicContact CD1-CB 4.21Å; V366-A404 CarbonylContact O-C 3.49Å; V366-A404 WeakPolarHBondContact O-CA 3.43Å; V396-A404 HydrophobicContact CG1-CB 4.22Å; E400-A404 PolarHBondContact O-N 3.35Å; L401-A404 WeakPolarHBondContact O-CB 3.34Å; L401-A404 PolarHBondContact O-N 3.29Å; A404-Q429 PolarHBondContact O-N 3.05Å; A404-W440 HydrophobicContact CB-CZ2 4.44Å |
| 405 | S | 97.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 134.1 | 170.2 | -67.3 | 0 | 0 | 0 | 0 | 110.3 | V366 Q429 Y430 | V366-S405 PolarHBondContact N-O 2.95Å; V366-S405 PolarHBondContact O-N 3.48Å; S405-Q429 PolarHBondContact OG-N 3.12Å; S405-Y430 PolarHBondContact OG-N 2.86Å |
| 406 | L | 97.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 115.6 | 173.3 | -67.6 | 172.8 | 0 | 0 | 0 | 109 | L329 L338 V340 I363 Q364 L365 F394 F408 V426 I427 W440 | L329-L406 HydrophobicContact CD2-CD1 4.05Å; L338-L406 HydrophobicContact CD2-CD1 3.82Å; L338-L406 HydrophobicContact CD2-CD2 4.31Å; L338-L406 HydrophobicContact CD2-CG 4.13Å; L338-L406 HydrophobicContact CG-CD1 4.39Å; V340-L406 HydrophobicContact CG2-CD1 3.48Å; V340-L406 VanDerWaalsContact CG2-CD1 3.48Å; I363-L406 HydrophobicContact CG2-CD2 4.37Å; Q364-L406 WeakPolarHBondContact O-CA 3.41Å; L365-L406 HydrophobicContact CB-CD2 4.2Å; L365-L406 HydrophobicContact CD1-CD2 3.99Å; F394-L406 HydrophobicContact CD2-CD2 4.4Å; F394-L406 HydrophobicContact CE2-CD2 4.27Å; F394-L406 HydrophobicContact CZ-CD2 4.49Å; L406-F408 HydrophobicContact CB-CD2 4.29Å; L406-F408 HydrophobicContact CB-CE2 3.53Å; L406-F408 HydrophobicContact CB-CZ 3.99Å; L406-F408 HydrophobicContact CD1-CE2 4.26Å; L406-F408 HydrophobicContact CD1-CZ 4Å; L406-V426 WeakPolarHBondContact O-CA 3.28Å; L406-I427 PolarHBondContact N-O 3.1Å; L406-I427 PolarHBondContact O-N 3.13Å; L406-W440 HydrophobicContact CD1-CZ3 4.34Å |
| 407 | V | 98.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 120.9 | 170.1 | -171.4 | 0 | 0 | 0 | 0 | 109 | Q364 V366 R424 V426 A469 V473 | Q364-V407 HydrophobicContact CB-CB 4.36Å; Q364-V407 PolarHBondContact N-O 2.85Å; Q364-V407 PolarHBondContact O-N 3.18Å; V366-V407 HydrophobicContact CG2-CG2 4.12Å; V407-R424 HydrophobicContact CG1-CG 3.73Å; V407-V426 HydrophobicContact CB-CG2 4.37Å; V407-V426 HydrophobicContact CG1-CG2 3.99Å; V407-V426 HydrophobicContact CG2-CG1 4.02Å; V407-V426 HydrophobicContact CG2-CG2 3.96Å; V407-A469 HydrophobicContact CG2-CB 4.34Å; V407-A469 WeakPolarHBondContact CG2-O 3.33Å; V407-V473 HydrophobicContact CB-CG1 4.4Å; V407-V473 HydrophobicContact CB-CG2 3.95Å; V407-V473 HydrophobicContact CG1-CG2 3.64Å; V407-V473 HydrophobicContact CG2-CG1 4.16Å; V407-V473 HydrophobicContact CG2-CG2 3.93Å |
| 408 | F | 98.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 120.2 | 173.6 | -58.6 | -100 | 0 | 0 | 0 | 107.6 | L325 L327 L329 V340 V361 K362 I363 L406 R424 I425 I427 | L325-F408 HydrophobicContact CD2-CB 4.19Å; L325-F408 HydrophobicContact CD2-CD1 4.4Å; L327-F408 HydrophobicContact CD1-CD1 3.85Å; L327-F408 HydrophobicContact CD1-CD2 3.89Å; L327-F408 HydrophobicContact CD1-CE1 3.67Å; L327-F408 HydrophobicContact CD1-CE2 3.72Å; L327-F408 HydrophobicContact CD1-CG 3.96Å; L327-F408 HydrophobicContact CD1-CZ 3.61Å; L327-F408 HydrophobicContact CD2-CD1 3.94Å; L327-F408 HydrophobicContact CD2-CE1 3.67Å; L327-F408 HydrophobicContact CD2-CZ 4.33Å; L327-F408 HydrophobicContact CG-CE1 4.32Å; L329-F408 HydrophobicContact CD2-CZ 4.5Å; V340-F408 HydrophobicContact CG1-CE1 3.52Å; V340-F408 HydrophobicContact CG1-CZ 3.6Å; V361-F408 HydrophobicContact CG1-CB 4.35Å; V361-F408 HydrophobicContact CG1-CD1 4.3Å; K362-F408 WeakPolarHBondContact O-CA 3.49Å; I363-F408 HydrophobicContact CG1-CD1 4.02Å; I363-F408 HydrophobicContact CG1-CE1 4.18Å; I363-F408 HydrophobicContact CG2-CD1 4.12Å; I363-F408 HydrophobicContact CG2-CE1 3.84Å; I363-F408 HydrophobicContact CG2-CZ 4.33Å; L406-F408 HydrophobicContact CB-CD2 4.29Å; L406-F408 HydrophobicContact CB-CE2 3.53Å; L406-F408 HydrophobicContact CB-CZ 3.99Å; L406-F408 HydrophobicContact CD1-CE2 4.26Å; L406-F408 HydrophobicContact CD1-CZ 4Å; F408-R424 VanDerWaalsContact O-CA 3.28Å; F408-R424 WeakPolarHBondContact O-CA 3.46Å; F408-R424 WeakPolarHBondContact O-CG 3.4Å; F408-I425 HydrophobicContact CB-CD1 4.38Å; F408-I425 HydrophobicContact CB-CG1 3.77Å; F408-I425 HydrophobicContact CD2-CD1 4.47Å; F408-I425 HydrophobicContact CD2-CG1 4.15Å; F408-I425 HydrophobicContact CG-CG1 4.3Å; F408-I425 PolarHBondContact N-O 3.46Å; F408-I425 PolarHBondContact O-N 2.79Å; F408-I427 HydrophobicContact CD2-CD1 4.42Å; F408-I427 HydrophobicContact CD2-CG1 4.42Å; F408-I427 HydrophobicContact CE2-CB 4.34Å; F408-I427 HydrophobicContact CE2-CD1 3.95Å; F408-I427 HydrophobicContact CE2-CG1 4.12Å |
| 409 | T | 97.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 120.8 | 173.9 | -52.4 | 0 | 0 | 0 | 0 | 109.5 | K362 F411 F421 G423 R424 | K362-T409 PolarHBondContact N-O 2.97Å; K362-T409 PolarHBondContact O-N 2.97Å; T409-F411 HydrophobicContact CG2-CD2 3.95Å; T409-F411 HydrophobicContact CG2-CE1 4.25Å; T409-F411 HydrophobicContact CG2-CE2 3.32Å; T409-F411 HydrophobicContact CG2-CZ 3.49Å; T409-F411 VanDerWaalsContact CG2-CZ 3.49Å; T409-F421 HydrophobicContact CG2-CD2 3.62Å; T409-F421 HydrophobicContact CG2-CE2 3.46Å; T409-F421 VanDerWaalsContact CG2-CE2 3.46Å; T409-G423 WeakPolarHBondContact CA-O 3.35Å; T409-R424 PolarHBondContact OG1-NE 2.83Å |
| 410 | V | 95.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 133 | 175.3 | -169.1 | 0 | 0 | 0 | 0 | 108.7 | L325 L348 F360 V361 I422 G423 L457 | L325-V410 HydrophobicContact CD2-CG2 4.38Å; L348-V410 HydrophobicContact CD1-CG1 3.85Å; L348-V410 HydrophobicContact CD2-CG1 4.19Å; F360-V410 WeakPolarHBondContact O-CA 3.12Å; V361-V410 HydrophobicContact CG2-CG2 4.2Å; V410-I422 HydrophobicContact CB-CB 4.16Å; V410-I422 HydrophobicContact CB-CG2 4.31Å; V410-I422 HydrophobicContact CG1-CB 4.1Å; V410-I422 HydrophobicContact CG1-CD1 4.17Å; V410-I422 HydrophobicContact CG1-CG2 4.15Å; V410-I422 WeakPolarHBondContact O-CB 3.5Å; V410-I422 PolarHBondContact O-N 2.81Å; V410-G423 PolarHBondContact N-O 2.94Å; V410-G423 PolarHBondContact O-N 3.31Å; V410-L457 HydrophobicContact CB-CD1 4.1Å; V410-L457 HydrophobicContact CG2-CD1 3.68Å; V410-L457 HydrophobicContact CG2-CD2 3.84Å; V410-L457 HydrophobicContact CG2-CG 4.44Å |
| 411 | F | 92.3 | Very high | 87.6 | Confident | 18 Ų | 18 | 44.6 Ų | 44.6 | 8% | 0.079 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 143.9 | 178.2 | -69.5 | -88.1 | 0 | 0 | 0 | 110.1 | P359 F360 K362 T409 N419 D420 F421 | P359-F411 CarbonylContact C-O 3.44Å; P359-F411 VanDerWaalsContact CA-O 3.27Å; P359-F411 WeakPolarHBondContact CA-O 3.43Å; F360-F411 HydrophobicContact CD1-CB 4.11Å; F360-F411 HydrophobicContact CE1-CB 3.53Å; F360-F411 HydrophobicContact CE1-CG 4.43Å; F360-F411 HydrophobicContact CE2-CB 4.18Å; F360-F411 HydrophobicContact CE2-CD2 4.03Å; F360-F411 HydrophobicContact CE2-CG 4.44Å; F360-F411 HydrophobicContact CZ-CB 3.56Å; F360-F411 HydrophobicContact CZ-CD2 4.02Å; F360-F411 AromaticContact CZ-CG 3.99Å; F360-F411 HydrophobicContact CZ-CG 3.99Å; F360-F411 PolarHBondContact N-O 2.81Å; F360-F411 PolarHBondContact O-N 3.35Å; K362-F411 HydrophobicContact CB-CD2 4.26Å; K362-F411 HydrophobicContact CB-CE2 4.04Å; K362-F411 HydrophobicContact CD-CE2 4.3Å; T409-F411 HydrophobicContact CG2-CD2 3.95Å; T409-F411 HydrophobicContact CG2-CE1 4.25Å; T409-F411 HydrophobicContact CG2-CE2 3.32Å; T409-F411 HydrophobicContact CG2-CZ 3.49Å; T409-F411 VanDerWaalsContact CG2-CZ 3.49Å; F411-N419 HydrophobicContact CB-CB 4.18Å; F411-N419 HydrophobicContact CD1-CB 4.19Å; F411-N419 HydrophobicContact CG-CB 4.47Å; F411-D420 CarbonylContact C-O 3.57Å; F411-D420 WeakPolarHBondContact CA-O 3.49Å; F411-D420 WeakPolarHBondContact CB-O 3.16Å; F411-D420 WeakPolarHBondContact CD1-O 3.43Å; F411-F421 HydrophobicContact CE1-CB 4.43Å; F411-F421 HydrophobicContact CE1-CD2 4.37Å |
| 412 | G | 89.1 | Confident | 87.5 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 121 | 159.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | N414 N419 D420 | G412-N414 PolarHBondContact O-N 2.85Å; G412-N419 CarbonylContact O-C 3.57Å; G412-N419 VanDerWaalsContact O-CA 3.32Å; G412-N419 WeakPolarHBondContact O-CA 3.47Å; G412-N419 WeakPolarHBondContact O-CB 3.41Å; G412-D420 PolarHBondContact N-O 2.85Å; G412-D420 PolarHBondContact O-N 3.18Å |
| 413 | H | 82.2 | Confident | 87.5 | Confident | 57 Ų | 57 | 38.3 Ų | 38.3 | 26% | 0.264 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 127.4 | 172.7 | 179.6 | 46.6 | 0 | 0 | 0 | 109.6 | D358 F360 F379 N419 | D358-H413 HydrophobicContact CB-CB 3.86Å; D358-H413 VanDerWaalsContact O-CB 3.31Å; D358-H413 WeakPolarHBondContact O-CB 3.45Å; D358-H413 PolarHBondContact O-N 2.95Å; F360-H413 HydrophobicContact CD1-CB 3.96Å; F360-H413 HydrophobicContact CE1-CB 4.02Å; F379-H413 HydrophobicContact CB-CB 4.39Å; F379-H413 AromaticContact CD2-CD2 4Å; F379-H413 AromaticContact CE2-CD2 3.91Å; H413-N419 WeakPolarHBondContact CA-OD1 3.37Å; H413-N419 PolarHBondContact ND1-OD1 3.4Å |
| 414 | N | 73.8 | Confident | 87.6 | Confident | 29 Ų | 29 | 35.8 Ų | 35.8 | 16% | 0.155 | 19% | 0.187 | C | C | . | . | trans | -113 | 127.3 | 170.3 | -160.3 | -52.3 | 0 | 0 | 0 | 108.8 | G412 K416 S417 | G412-N414 PolarHBondContact O-N 2.85Å; N414-K416 VanDerWaalsContact C-N 3.3Å; N414-K416 PolarHBondContact OD1-N 2.98Å; N414-S417 VanDerWaalsContact CB-OG 3.29Å; N414-S417 WeakPolarHBondContact CB-OG 3.2Å; N414-S417 PolarHBondContact ND2-OG 3.16Å; N414-S417 PolarHBondContact OD1-N 2.81Å; N414-S417 PolarHBondContact OD1-OG 3.24Å | ||
| 415 | M | 67.8 | Low | 87.6 | Confident | 133 Ų | 133 | 35.8 Ų | 35.8 | 66% | 0.655 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -75.2 | -18.6 | 178.9 | -75.5 | -165 | 67.4 | 0 | 0 | 113.5 | ||
| 416 | K | 68.4 | Low | 87.6 | Confident | 186 Ų | 186 | 35.8 Ų | 35.8 | 81% | 0.809 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -114.5 | -13 | -171.6 | -64.7 | 177.2 | -177.4 | 170.2 | 0 | 113.9 | N414 | N414-K416 VanDerWaalsContact C-N 3.3Å; N414-K416 PolarHBondContact OD1-N 2.98Å |
| 417 | S | 71.6 | Confident | 87.6 | Confident | 65 Ų | 65 | 35.8 Ų | 35.8 | 46% | 0.455 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -138 | -172 | -179.1 | 67.2 | 0 | 0 | 0 | 0 | 111.4 | N414 | N414-S417 VanDerWaalsContact CB-OG 3.29Å; N414-S417 WeakPolarHBondContact CB-OG 3.2Å; N414-S417 PolarHBondContact ND2-OG 3.16Å; N414-S417 PolarHBondContact OD1-N 2.81Å; N414-S417 PolarHBondContact OD1-OG 3.24Å |
| 418 | S | 80.4 | Confident | 87.5 | Confident | 96 Ų | 96 | 36 Ų | 36 | 67% | 0.671 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -63.2 | 144.4 | 166 | 50.2 | 0 | 0 | 0 | 0 | 111.3 | D420 | S418-D420 PolarHBondContact O-N 3.35Š|
| 419 | N | 85 | Confident | 87.3 | Confident | 64 Ų | 64 | 41 Ų | 41 | 34% | 0.342 | 21% | 0.213 | S | C | . | . | P | Polyproline II helix | trans | -60 | 132 | 174.6 | -47.2 | -77.6 | 0 | 0 | 0 | 111.3 | F360 F411 G412 H413 | F360-N419 HydrophobicContact CE1-CB 4.18Å; F360-N419 HydrophobicContact CZ-CB 4.34Å; F411-N419 HydrophobicContact CB-CB 4.18Å; F411-N419 HydrophobicContact CD1-CB 4.19Å; F411-N419 HydrophobicContact CG-CB 4.47Å; G412-N419 CarbonylContact O-C 3.57Å; G412-N419 VanDerWaalsContact O-CA 3.32Å; G412-N419 WeakPolarHBondContact O-CA 3.47Å; G412-N419 WeakPolarHBondContact O-CB 3.41Å; H413-N419 WeakPolarHBondContact CA-OD1 3.37Å; H413-N419 PolarHBondContact ND1-OD1 3.4Å |
| 420 | D | 85.2 | Confident | 87.2 | Confident | 47 Ų | 47 | 44.2 Ų | 44.2 | 25% | 0.251 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 137.4 | -178.6 | -56.9 | -51.7 | 0 | 0 | 0 | 110.5 | T351 F411 G412 S418 | T351-D420 VanDerWaalsContact CB-CB 3.45Å; T351-D420 HydrophobicContact CG2-CB 3.62Å; T351-D420 PolarHBondContact OG1-OD2 2.67Å; F411-D420 CarbonylContact C-O 3.57Å; F411-D420 WeakPolarHBondContact CA-O 3.49Å; F411-D420 WeakPolarHBondContact CB-O 3.16Å; F411-D420 WeakPolarHBondContact CD1-O 3.43Å; G412-D420 PolarHBondContact N-O 2.85Å; G412-D420 PolarHBondContact O-N 3.18Å; S418-D420 PolarHBondContact O-N 3.35Å |
| 421 | F | 88.7 | Confident | 87 | Confident | 55 Ų | 55 | 44.9 Ų | 44.9 | 24% | 0.241 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 123.7 | 175.1 | 175.5 | -85.2 | 0 | 0 | 0 | 109.9 | T409 F411 R424 R460 | T409-F421 HydrophobicContact CG2-CD2 3.62Å; T409-F421 HydrophobicContact CG2-CE2 3.46Å; T409-F421 VanDerWaalsContact CG2-CE2 3.46Å; F411-F421 HydrophobicContact CE1-CB 4.43Å; F411-F421 HydrophobicContact CE1-CD2 4.37Å; F421-R424 HydrophobicContact CE2-CB 3.97Å; F421-R424 HydrophobicContact CZ-CB 3.76Å; F421-R460 HydrophobicContact CE1-CB 4.01Å; F421-R460 HydrophobicContact CE2-CB 3.97Å; F421-R460 HydrophobicContact CZ-CB 3.66Å |
| 422 | I | 88.5 | Confident | 86.9 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -52.2 | 174.7 | -69.6 | 175.2 | 0 | 0 | 0 | 110.1 | L322 L348 L349 T351 P359 V410 L457 | L322-I422 WeakPolarHBondContact CB-O 3.38Å; L322-I422 WeakPolarHBondContact CD1-O 3.29Å; L322-I422 WeakPolarHBondContact O-CG2 3.38Å; L348-I422 HydrophobicContact CB-CG2 4.25Å; L348-I422 HydrophobicContact CD1-CD1 4.41Å; L348-I422 HydrophobicContact CD2-CG2 4.15Å; L349-I422 HydrophobicContact CB-CG2 4.27Å; T351-I422 HydrophobicContact CG2-CD1 4.27Å; T351-I422 HydrophobicContact CG2-CG1 3.56Å; P359-I422 HydrophobicContact CB-CD1 4.33Å; V410-I422 HydrophobicContact CB-CB 4.16Å; V410-I422 HydrophobicContact CB-CG2 4.31Å; V410-I422 HydrophobicContact CG1-CB 4.1Å; V410-I422 HydrophobicContact CG1-CD1 4.17Å; V410-I422 HydrophobicContact CG1-CG2 4.15Å; V410-I422 WeakPolarHBondContact O-CB 3.5Å; V410-I422 PolarHBondContact O-N 2.81Å; I422-L457 HydrophobicContact CG2-CD1 4.24Å |
| 423 | G | 91.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.8 | 165.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | T409 V410 R458 | T409-G423 WeakPolarHBondContact CA-O 3.35Å; V410-G423 PolarHBondContact N-O 2.94Å; V410-G423 PolarHBondContact O-N 3.31Å; G423-R458 WeakPolarHBondContact CA-O 3.43Å |
| 424 | R | 94.8 | Very high | 86.8 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 0% | 0.004 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 151.9 | -176.6 | -176.8 | 178.2 | -78.4 | 175.9 | -12.6 | 111.7 | V407 F408 T409 F421 R458 C463 D464 S470 V473 T474 | V407-R424 HydrophobicContact CG1-CG 3.73Å; F408-R424 VanDerWaalsContact O-CA 3.28Å; F408-R424 WeakPolarHBondContact O-CA 3.46Å; F408-R424 WeakPolarHBondContact O-CG 3.4Å; T409-R424 PolarHBondContact OG1-NE 2.83Å; F421-R424 HydrophobicContact CE2-CB 3.97Å; F421-R424 HydrophobicContact CZ-CB 3.76Å; R424-R458 PolarHBondContact N-O 2.85Å; R424-R458 PolarHBondContact O-N 2.78Å; R424-C463 HydrophobicContact CB-CB 4.35Å; R424-C463 HydrophobicContact CG-CB 4.14Å; R424-C463 PolarHBondContact O-SG 3.38Å; R424-D464 IonicContact NH1-OD1 2.61Å; R424-D464 PolarHBondContact NH1-OD1 2.93Å; R424-D464 IonicContact NH1-OD2 3.11Å; R424-S470 WeakPolarHBondContact CD-OG 3.49Å; R424-S470 PolarHBondContact NH1-O 3.25Å; R424-S470 PolarHBondContact NH1-OG 2.98Å; R424-V473 PolarHBondContact NH2-O 3Å; R424-T474 PolarHBondContact NH1-OG1 2.67Å |
| 425 | I | 96.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 156.2 | 164.3 | 56.8 | 179.7 | 0 | 0 | 0 | 109.5 | L325 L327 F408 I427 H455 S456 L457 | L325-I425 HydrophobicContact CD2-CD1 4.33Å; L327-I425 HydrophobicContact CD1-CD1 3.86Å; F408-I425 HydrophobicContact CB-CD1 4.38Å; F408-I425 HydrophobicContact CB-CG1 3.77Å; F408-I425 HydrophobicContact CD2-CD1 4.47Å; F408-I425 HydrophobicContact CD2-CG1 4.15Å; F408-I425 HydrophobicContact CG-CG1 4.3Å; F408-I425 PolarHBondContact N-O 3.46Å; F408-I425 PolarHBondContact O-N 2.79Å; I425-I427 HydrophobicContact CD1-CD1 4.47Å; I425-H455 HydrophobicContact CD1-CB 3.41Å; I425-H455 VanDerWaalsContact CD1-CB 3.41Å; I425-H455 HydrophobicContact CG2-CB 4.38Å; I425-S456 WeakPolarHBondContact CG2-O 3.32Å; I425-L457 HydrophobicContact CG2-CD2 4.19Å |
| 426 | V | 97.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 130.5 | 175.2 | -171.1 | 0 | 0 | 0 | 0 | 109.5 | L406 V407 Y430 S431 S432 E436 A469 | L406-V426 WeakPolarHBondContact O-CA 3.28Å; V407-V426 HydrophobicContact CB-CG2 4.37Å; V407-V426 HydrophobicContact CG1-CG2 3.99Å; V407-V426 HydrophobicContact CG2-CG1 4.02Å; V407-V426 HydrophobicContact CG2-CG2 3.96Å; V426-Y430 VanDerWaalsContact CG1-O 3.22Å; V426-Y430 WeakPolarHBondContact CG1-O 3.4Å; V426-S431 CarbonylContact O-C 3.48Å; V426-S431 VanDerWaalsContact O-CA 3.26Å; V426-S431 WeakPolarHBondContact O-CA 3.39Å; V426-S432 PolarHBondContact N-OG 2.69Å; V426-S432 PolarHBondContact O-N 3.4Å; V426-S432 PolarHBondContact O-OG 3.47Å; V426-E436 VanDerWaalsContact O-CB 3.29Å; V426-E436 WeakPolarHBondContact O-CB 3.42Å; V426-A469 HydrophobicContact CG1-CB 4.22Å |
| 427 | I | 97.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 123.5 | 178.7 | -50.4 | -178.7 | 0 | 0 | 0 | 109 | L327 L329 L406 F408 I425 E436 W440 | L327-I427 HydrophobicContact CD1-CD1 3.68Å; L329-I427 HydrophobicContact CD1-CD1 4.34Å; L329-I427 HydrophobicContact CD1-CG2 3.85Å; L406-I427 PolarHBondContact N-O 3.1Å; L406-I427 PolarHBondContact O-N 3.13Å; F408-I427 HydrophobicContact CD2-CD1 4.42Å; F408-I427 HydrophobicContact CD2-CG1 4.42Å; F408-I427 HydrophobicContact CE2-CB 4.34Å; F408-I427 HydrophobicContact CE2-CD1 3.95Å; F408-I427 HydrophobicContact CE2-CG1 4.12Å; I425-I427 HydrophobicContact CD1-CD1 4.47Å; I427-E436 HydrophobicContact CG1-CB 4.02Å; I427-E436 HydrophobicContact CG1-CG 4.11Å; I427-W440 HydrophobicContact CG2-CB 3.94Å; I427-W440 HydrophobicContact CG2-CE3 4.02Å |
| 428 | G | 95.5 | Very high | 90.6 | Very high | 5 Ų | 5 | 35.9 Ų | 35.9 | 5% | 0.052 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 143.8 | -151 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y430 S431 | G428-Y430 VanDerWaalsContact C-N 3.3Å; G428-Y430 PolarHBondContact O-N 2.77Å; G428-S431 PolarHBondContact N-OG 2.94Å; G428-S431 WeakPolarHBondContact O-CB 3.26Å; G428-S431 PolarHBondContact O-N 2.87Å; G428-S431 PolarHBondContact O-OG 2.73Å |
| 429 | Q | 94.3 | Very high | 91.3 | Very high | 105 Ų | 105 | 31.3 Ų | 31.3 | 49% | 0.491 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -44.2 | 177.5 | -177 | 56.2 | 1.7 | 0 | 0 | 113.1 | E402 A404 S405 | E402-Q429 VanDerWaalsContact O-CB 3.29Å; E402-Q429 WeakPolarHBondContact O-CB 3.46Å; E402-Q429 WeakPolarHBondContact O-CG 3.47Å; E402-Q429 PolarHBondContact O-OE1 2.85Å; A404-Q429 PolarHBondContact O-N 3.05Å; S405-Q429 PolarHBondContact OG-N 3.12Å |
| 430 | Y | 94.4 | Very high | 91.8 | Very high | 66 Ų | 66 | 29 Ų | 29 | 26% | 0.259 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 48.1 | 178.3 | -55.5 | -73.8 | 0 | 0 | 0 | 110.8 | L369 S405 V426 G428 S467 P468 A469 | L369-Y430 HydrophobicContact CD2-CD2 3.81Å; L369-Y430 HydrophobicContact CD2-CE1 4.33Å; L369-Y430 HydrophobicContact CD2-CE2 3.44Å; L369-Y430 VanDerWaalsContact CD2-CE2 3.44Å; L369-Y430 HydrophobicContact CD2-CG 4.39Å; L369-Y430 HydrophobicContact CG-CE2 4.1Å; S405-Y430 PolarHBondContact OG-N 2.86Å; V426-Y430 VanDerWaalsContact CG1-O 3.22Å; V426-Y430 WeakPolarHBondContact CG1-O 3.4Å; G428-Y430 VanDerWaalsContact C-N 3.3Å; G428-Y430 PolarHBondContact O-N 2.77Å; Y430-S467 VanDerWaalsContact O-CB 3.29Å; Y430-S467 WeakPolarHBondContact O-CB 3.42Å; Y430-S467 PolarHBondContact O-OG 3.01Å; Y430-P468 HydrophobicContact CD1-CB 4.34Å; Y430-P468 HydrophobicContact CD1-CG 4.06Å; Y430-P468 HydrophobicContact CE1-CG 4.43Å; Y430-A469 HydrophobicContact CD2-CB 4.07Å; Y430-A469 HydrophobicContact CG-CB 4.33Å |
| 431 | S | 93 | Very high | 92.2 | Very high | 14 Ų | 14 | 32.7 Ų | 32.7 | 10% | 0.098 | 17% | 0.173 | C | C | . | . | trans | -56.5 | 142 | -179.1 | -75.8 | 0 | 0 | 0 | 0 | 112.7 | V426 G428 G433 S437 | V426-S431 CarbonylContact O-C 3.48Å; V426-S431 VanDerWaalsContact O-CA 3.26Å; V426-S431 WeakPolarHBondContact O-CA 3.39Å; G428-S431 PolarHBondContact N-OG 2.94Å; G428-S431 WeakPolarHBondContact O-CB 3.26Å; G428-S431 PolarHBondContact O-N 2.87Å; G428-S431 PolarHBondContact O-OG 2.73Å; S431-G433 PolarHBondContact O-N 2.78Å; S431-S437 WeakPolarHBondContact CB-OG 3.49Å; S431-S437 PolarHBondContact OG-N 3.36Å | ||
| 432 | S | 88.5 | Confident | 92.4 | Very high | 5 Ų | 5 | 35 Ų | 35 | 4% | 0.035 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -67.4 | -18.4 | -179.4 | 39.9 | 0 | 0 | 0 | 0 | 113.7 | V426 E436 R458 V466 | V426-S432 PolarHBondContact N-OG 2.69Å; V426-S432 PolarHBondContact O-N 3.4Å; V426-S432 PolarHBondContact O-OG 3.47Å; S432-E436 VanDerWaalsContact OG-CD 3.3Å; S432-E436 PolarHBondContact OG-OE1 2.94Å; S432-R458 VanDerWaalsContact C-NH2 3.3Å; S432-R458 PolarHBondContact O-NH1 2.94Å; S432-R458 PolarHBondContact O-NH2 3.35Å; S432-R458 VanDerWaalsContact O-NH2 3.12Å; S432-V466 WeakPolarHBondContact O-CG2 3.47Å |
| 433 | G | 87.5 | Confident | 92.7 | Very high | 14 Ų | 14 | 35.2 Ų | 35.2 | 14% | 0.144 | 18% | 0.181 | C | C | . | . | S | Bend | trans | 179.2 | -164.7 | 170 | 0 | 0 | 0 | 0 | 0 | 115 | S431 S435 E436 S437 | S431-G433 PolarHBondContact O-N 2.78Å; G433-S435 VanDerWaalsContact C-N 3.34Å; G433-S435 PolarHBondContact O-N 3.21Å; G433-E436 WeakPolarHBondContact CA-OE2 3.49Å; G433-E436 PolarHBondContact N-OE2 2.62Å; G433-E436 PolarHBondContact O-N 2.78Å; G433-S437 PolarHBondContact O-N 3.22Å; G433-S437 PolarHBondContact O-OG 3.1Å; G433-S437 VanDerWaalsContact O-OG 3.11Å |
| 434 | P | 82 | Confident | 92.7 | Very high | 116 Ų | 116 | 38.5 Ų | 38.5 | 75% | 0.753 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -64.7 | -32.1 | -168.5 | -24.7 | 35.1 | 0 | 0 | 0 | 114.8 | N438 | P434-N438 WeakPolarHBondContact O-CB 3.24Å; P434-N438 PolarHBondContact O-N 2.87Å |
| 435 | S | 85 | Confident | 92.5 | Very high | 50 Ų | 50 | 44 Ų | 44 | 35% | 0.35 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.6 | -48.4 | 178 | -177 | 0 | 0 | 0 | 0 | 110.3 | G433 N438 H439 Q453 | G433-S435 VanDerWaalsContact C-N 3.34Å; G433-S435 PolarHBondContact O-N 3.21Å; S435-N438 WeakPolarHBondContact O-CB 3.41Å; S435-N438 PolarHBondContact O-N 3.42Å; S435-H439 PolarHBondContact O-N 3.49Å; S435-Q453 PolarHBondContact O-NE2 2.95Å; S435-Q453 PolarHBondContact OG-NE2 2.73Å |
| 436 | E | 92.6 | Very high | 92 | Very high | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.019 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64 | -48 | 179.7 | -59.5 | 95.1 | 137.8 | 0 | 0 | 111.1 | V426 I427 S432 G433 N438 H439 W440 R458 | V426-E436 VanDerWaalsContact O-CB 3.29Å; V426-E436 WeakPolarHBondContact O-CB 3.42Å; I427-E436 HydrophobicContact CG1-CB 4.02Å; I427-E436 HydrophobicContact CG1-CG 4.11Å; S432-E436 VanDerWaalsContact OG-CD 3.3Å; S432-E436 PolarHBondContact OG-OE1 2.94Å; G433-E436 WeakPolarHBondContact CA-OE2 3.49Å; G433-E436 PolarHBondContact N-OE2 2.62Å; G433-E436 PolarHBondContact O-N 2.78Å; E436-N438 VanDerWaalsContact C-N 3.26Å; E436-N438 PolarHBondContact O-N 3.33Å; E436-H439 PolarHBondContact O-N 2.75Å; E436-H439 VanDerWaalsContact O-N 3.15Å; E436-W440 PolarHBondContact O-N 3.17Å; E436-R458 VanDerWaalsContact CD-NH2 3.3Å; E436-R458 IonicContact OE1-CZ 2.67Å; E436-R458 IonicContact OE1-NE 3.39Å; E436-R458 PolarHBondContact OE1-NE 3.13Å; E436-R458 IonicContact OE1-NH2 3.43Å; E436-R458 PolarHBondContact OE1-NH2 3.02Å; E436-R458 IonicContact OE2-NH2 3.38Å; E436-R458 PolarHBondContact OE2-NH2 3.02Å; E436-R458 VanDerWaalsContact OE2-NH2 3.12Å |
| 437 | S | 92.4 | Very high | 90.9 | Very high | 42 Ų | 42 | 53.3 Ų | 53.3 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.1 | -35 | 173.7 | -60.7 | 0 | 0 | 0 | 0 | 112.5 | S431 G433 R441 | S431-S437 WeakPolarHBondContact CB-OG 3.49Å; S431-S437 PolarHBondContact OG-N 3.36Å; G433-S437 PolarHBondContact O-N 3.22Å; G433-S437 PolarHBondContact O-OG 3.1Å; G433-S437 VanDerWaalsContact O-OG 3.11Å; S437-R441 WeakPolarHBondContact O-CB 3.32Å; S437-R441 PolarHBondContact O-N 3.5Å; S437-R441 VanDerWaalsContact O-N 3.13Å |
| 438 | N | 92.6 | Very high | 89.8 | Confident | 68 Ų | 68 | 62.4 Ų | 62.4 | 36% | 0.364 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -69.8 | -42.7 | 175.7 | -172.2 | -76.4 | 0 | 0 | 0 | 111.5 | P434 S435 E436 R441 R442 | P434-N438 WeakPolarHBondContact O-CB 3.24Å; P434-N438 PolarHBondContact O-N 2.87Å; S435-N438 WeakPolarHBondContact O-CB 3.41Å; S435-N438 PolarHBondContact O-N 3.42Å; E436-N438 VanDerWaalsContact C-N 3.26Å; E436-N438 PolarHBondContact O-N 3.33Å; N438-R441 PolarHBondContact O-N 3.36Å; N438-R442 WeakPolarHBondContact O-CB 3.3Å; N438-R442 VanDerWaalsContact O-CG 3.32Å; N438-R442 WeakPolarHBondContact O-CG 3.4Å; N438-R442 PolarHBondContact O-N 2.91Å; N438-R442 WeakPolarHBondContact OD1-CD 3.31Å |
| 439 | H | 94 | Very high | 89.3 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 177.6 | -168.1 | -163.6 | 0 | 0 | 0 | 111.8 | L327 L329 S435 E436 R442 M443 V451 E452 Q453 H455 | L327-H439 WeakPolarHBondContact CB-CE1 3.28Å; L327-H439 PolarHBondContact O-CE1 2.67Å; L329-H439 VanDerWaalsContact CG-CE1 3.42Å; L329-H439 WeakPolarHBondContact CG-CE1 3.48Å; S435-H439 PolarHBondContact O-N 3.49Å; E436-H439 PolarHBondContact O-N 2.75Å; E436-H439 VanDerWaalsContact O-N 3.15Å; H439-R442 PolarHBondContact O-N 2.77Å; H439-M443 PolarHBondContact O-N 2.86Å; H439-V451 WeakPolarHBondContact NE2-CB 3.22Å; H439-V451 WeakPolarHBondContact NE2-CG1 3.35Å; H439-V451 CovalentContact NE2-O 1.79Å; H439-V451 PolarHBondContact NE2-O 3.36Å; H439-E452 PolarHBondContact NE2-N 2.79Å; H439-Q453 HydrophobicContact CB-CB 4.39Å; H439-H455 AromaticContact CE1-NE2 3.86Å; H439-H455 AromaticContact CG-CE1 3.95Å; H439-H455 AromaticContact CG-NE2 3.66Å; H439-H455 AromaticContact ND1-CD2 3.99Å; H439-H455 AromaticContact ND1-CE1 3.54Å; H439-H455 AromaticContact ND1-NE2 2.86Å; H439-H455 PolarHBondContact ND1-NE2 3.06Å |
| 440 | W | 95.5 | Very high | 89.1 | Confident | 15 Ų | 15 | 63.6 Ų | 63.6 | 6% | 0.057 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.3 | -48.7 | 175.2 | -169.1 | -112.9 | 0 | 0 | 0 | 111.8 | L329 L338 L401 A404 L406 I427 E436 R442 M443 L444 | L329-W440 HydrophobicContact CD1-CE3 4.41Å; L338-W440 HydrophobicContact CD1-CH2 4.4Å; L338-W440 HydrophobicContact CD1-CZ3 4.19Å; L338-W440 HydrophobicContact CD2-CH2 3.7Å; L338-W440 HydrophobicContact CD2-CZ3 3.94Å; L401-W440 HydrophobicContact CD1-CH2 3.79Å; L401-W440 HydrophobicContact CD1-CZ2 3.7Å; L401-W440 HydrophobicContact CG-CZ2 4.09Å; A404-W440 HydrophobicContact CB-CZ2 4.44Å; L406-W440 HydrophobicContact CD1-CZ3 4.34Å; I427-W440 HydrophobicContact CG2-CB 3.94Å; I427-W440 HydrophobicContact CG2-CE3 4.02Å; E436-W440 PolarHBondContact O-N 3.17Å; W440-R442 VanDerWaalsContact C-N 3.35Å; W440-R442 PolarHBondContact O-N 2.96Å; W440-M443 HydrophobicContact CD2-CE 3.77Å; W440-M443 HydrophobicContact CE3-CE 3.52Å; W440-M443 HydrophobicContact CE3-SD 4.07Å; W440-M443 HydrophobicContact CH2-CE 3.87Å; W440-M443 HydrophobicContact CZ2-CE 4.07Å; W440-M443 HydrophobicContact CZ3-CE 3.59Å; W440-M443 HydrophobicContact CZ3-SD 4Å; W440-M443 WeakPolarHBondContact O-CB 3.46Å; W440-M443 PolarHBondContact O-N 3.12Å; W440-M443 VanDerWaalsContact O-N 3.16Å; W440-L444 WeakPolarHBondContact O-CG 3.25Å; W440-L444 PolarHBondContact O-N 3Å |
| 441 | R | 94.1 | Very high | 89.1 | Confident | 125 Ų | 125 | 60.8 Ų | 60.8 | 47% | 0.472 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.5 | -41.1 | 177.5 | -166.6 | -171.2 | -53 | 104.5 | 4.9 | 112.4 | S437 N438 L444 N445 | S437-R441 WeakPolarHBondContact O-CB 3.32Å; S437-R441 PolarHBondContact O-N 3.5Å; S437-R441 VanDerWaalsContact O-N 3.13Å; N438-R441 PolarHBondContact O-N 3.36Å; R441-L444 PolarHBondContact O-N 2.92Å; R441-N445 WeakPolarHBondContact O-CB 3.14Å; R441-N445 VanDerWaalsContact O-CG 3.26Å; R441-N445 PolarHBondContact O-N 3.05Å; R441-N445 PolarHBondContact O-OD1 3.43Å |
| 442 | R | 93.6 | Very high | 89.2 | Confident | 105 Ų | 105 | 65.7 Ų | 65.7 | 40% | 0.396 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 174.4 | -74.5 | 172.5 | 65.9 | -145.2 | 2.8 | 110.6 | N438 H439 W440 L444 N445 T446 V451 | N438-R442 WeakPolarHBondContact O-CB 3.3Å; N438-R442 VanDerWaalsContact O-CG 3.32Å; N438-R442 WeakPolarHBondContact O-CG 3.4Å; N438-R442 PolarHBondContact O-N 2.91Å; N438-R442 WeakPolarHBondContact OD1-CD 3.31Å; H439-R442 PolarHBondContact O-N 2.77Å; W440-R442 VanDerWaalsContact C-N 3.35Å; W440-R442 PolarHBondContact O-N 2.96Å; R442-L444 PolarHBondContact O-N 3.43Å; R442-N445 PolarHBondContact O-N 2.99Å; R442-T446 VanDerWaalsContact O-CB 3.26Å; R442-T446 WeakPolarHBondContact O-CB 3.23Å; R442-T446 PolarHBondContact O-N 2.95Å; R442-T446 PolarHBondContact O-OG1 2.96Å; R442-V451 HydrophobicContact CB-CG1 3.96Å; R442-V451 HydrophobicContact CB-CG2 4.45Å; R442-V451 VanDerWaalsContact CZ-CG1 3.41Å |
| 443 | M | 94.7 | Very high | 89.3 | Confident | 4 Ų | 4 | 66.9 Ų | 66.9 | 2% | 0.02 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.2 | -44.3 | 175.7 | 178.4 | -150.9 | 68.2 | 0 | 0 | 111.9 | L329 L338 H439 W440 T446 | L329-M443 HydrophobicContact CB-CB 4.17Å; L329-M443 HydrophobicContact CB-CG 3.91Å; L329-M443 HydrophobicContact CB-SD 3.78Å; L329-M443 HydrophobicContact CD1-SD 4.49Å; L338-M443 HydrophobicContact CD1-CE 4.14Å; L338-M443 HydrophobicContact CD1-SD 3.38Å; L338-M443 WeakPolarHBondContact CD1-SD 3.3Å; H439-M443 PolarHBondContact O-N 2.86Å; W440-M443 HydrophobicContact CD2-CE 3.77Å; W440-M443 HydrophobicContact CE3-CE 3.52Å; W440-M443 HydrophobicContact CE3-SD 4.07Å; W440-M443 HydrophobicContact CH2-CE 3.87Å; W440-M443 HydrophobicContact CZ2-CE 4.07Å; W440-M443 HydrophobicContact CZ3-CE 3.59Å; W440-M443 HydrophobicContact CZ3-SD 4Å; W440-M443 WeakPolarHBondContact O-CB 3.46Å; W440-M443 PolarHBondContact O-N 3.12Å; W440-M443 VanDerWaalsContact O-N 3.16Å; M443-T446 PolarHBondContact O-N 3.03Å |
| 444 | L | 91.6 | Very high | 89.5 | Confident | 69 Ų | 69 | 69.9 Ų | 69.9 | 36% | 0.361 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 178.6 | -67.7 | 175.1 | 0 | 0 | 0 | 112.8 | L401 W440 R441 R442 T446 | L401-L444 HydrophobicContact CD2-CD2 3.33Å; L401-L444 HydrophobicContact CG-CD2 4Å; W440-L444 WeakPolarHBondContact O-CG 3.25Å; W440-L444 PolarHBondContact O-N 3Å; R441-L444 PolarHBondContact O-N 2.92Å; R442-L444 PolarHBondContact O-N 3.43Å; L444-T446 VanDerWaalsContact C-N 3.29Å; L444-T446 PolarHBondContact O-N 3.14Å |
| 445 | N | 90.4 | Very high | 89.9 | Confident | 118 Ų | 118 | 64.4 Ų | 64.4 | 63% | 0.631 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -76.1 | -13.9 | -179.1 | -67.5 | 3.1 | 0 | 0 | 0 | 113.4 | R441 R442 | R441-N445 WeakPolarHBondContact O-CB 3.14Å; R441-N445 VanDerWaalsContact O-CG 3.26Å; R441-N445 PolarHBondContact O-N 3.05Å; R441-N445 PolarHBondContact O-OD1 3.43Å; R442-N445 PolarHBondContact O-N 2.99Å |
| 446 | T | 84.8 | Confident | 90.1 | Very high | 48 Ų | 48 | 65.4 Ų | 65.4 | 29% | 0.294 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -106.2 | 108 | -175.3 | -45.7 | 0 | 0 | 0 | 0 | 110.6 | R442 M443 L444 R448 T449 | R442-T446 VanDerWaalsContact O-CB 3.26Å; R442-T446 WeakPolarHBondContact O-CB 3.23Å; R442-T446 PolarHBondContact O-N 2.95Å; R442-T446 PolarHBondContact O-OG1 2.96Å; M443-T446 PolarHBondContact O-N 3.03Å; L444-T446 VanDerWaalsContact C-N 3.29Å; L444-T446 PolarHBondContact O-N 3.14Å; T446-R448 PolarHBondContact O-N 3.11Å; T446-T449 WeakPolarHBondContact CG2-OG1 3.31Å |
| 447 | H | 74.4 | Confident | 90 | Very high | 146 Ų | 146 | 65.8 Ų | 65.8 | 68% | 0.676 | 32% | 0.324 | S | S | * | . | trans | -78.4 | 122.3 | -178 | -57.7 | -37.2 | 0 | 0 | 0 | 112.2 | T449 | H447-T449 PolarHBondContact O-N 3.35Å; H447-T449 VanDerWaalsContact O-N 3.11Å | ||
| 448 | R | 75 | Confident | 89.7 | Confident | 191 Ų | 191 | 66.9 Ų | 66.9 | 72% | 0.721 | 32% | 0.322 | S | S | * | . | S | Bend | trans | 69.4 | -10.8 | 169.4 | -53.5 | 177.9 | 177 | -179.8 | -1.1 | 117.7 | N330 T446 | N330-R448 PolarHBondContact ND2-O 3.41Å; T446-R448 PolarHBondContact O-N 3.11Å |
| 449 | T | 85.3 | Confident | 89.4 | Confident | 84 Ų | 84 | 65.3 Ų | 65.3 | 52% | 0.515 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -98.4 | 137.7 | 172.6 | 65.1 | 0 | 0 | 0 | 0 | 111.1 | T446 H447 | T446-T449 WeakPolarHBondContact CG2-OG1 3.31Å; H447-T449 PolarHBondContact O-N 3.35Å; H447-T449 VanDerWaalsContact O-N 3.11Å |
| 450 | A | 90.6 | Very high | 89 | Confident | 51 Ų | 51 | 68.5 Ų | 68.5 | 42% | 0.421 | 33% | 0.328 | S | S | . | . | trans | -63.7 | 143 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S328 N330 | S328-A450 WeakPolarHBondContact OG-CB 3.46Å; N330-A450 HydrophobicContact CB-CB 4.16Å | ||
| 451 | V | 94.1 | Very high | 88.4 | Confident | 7 Ų | 7 | 71.3 Ų | 71.3 | 4% | 0.042 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 119 | 173.3 | -176.3 | 0 | 0 | 0 | 0 | 108.2 | S328 L329 H439 R442 | S328-V451 WeakPolarHBondContact CA-O 3.47Å; L329-V451 PolarHBondContact N-O 3.21Å; L329-V451 PolarHBondContact O-N 2.95Å; H439-V451 WeakPolarHBondContact NE2-CB 3.22Å; H439-V451 WeakPolarHBondContact NE2-CG1 3.35Å; H439-V451 CovalentContact NE2-O 1.79Å; H439-V451 PolarHBondContact NE2-O 3.36Å; R442-V451 HydrophobicContact CB-CG1 3.96Å; R442-V451 HydrophobicContact CB-CG2 4.45Å; R442-V451 VanDerWaalsContact CZ-CG1 3.41Å |
| 452 | E | 93.7 | Very high | 87.8 | Confident | 117 Ų | 117 | 67.3 Ų | 67.3 | 55% | 0.547 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 140.8 | 174.1 | -71.6 | 178.9 | -161.9 | 0 | 0 | 111.8 | L326 L327 I343 H439 | L326-E452 HydrophobicContact CD1-CB 4.49Å; L327-E452 WeakPolarHBondContact O-CA 3.17Å; I343-E452 HydrophobicContact CD1-CG 3.91Å; H439-E452 PolarHBondContact NE2-N 2.79Å |
| 453 | Q | 91.9 | Very high | 87.5 | Confident | 31 Ų | 31 | 62.3 Ų | 62.3 | 15% | 0.145 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 142.6 | 173.8 | -162.2 | 167.7 | -49.8 | 0 | 0 | 112 | L327 S435 H439 H455 | L327-Q453 PolarHBondContact N-O 2.83Å; L327-Q453 VanDerWaalsContact N-O 3.07Å; L327-Q453 PolarHBondContact O-N 2.89Å; S435-Q453 PolarHBondContact O-NE2 2.95Å; S435-Q453 PolarHBondContact OG-NE2 2.73Å; H439-Q453 HydrophobicContact CB-CB 4.39Å; Q453-H455 PolarHBondContact O-CD2 3.01Å |
| 454 | W | 91.6 | Very high | 87.3 | Confident | 76 Ų | 76 | 63.5 Ų | 63.5 | 29% | 0.288 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 142.3 | 168.5 | -75.2 | 102.2 | 0 | 0 | 0 | 111 | E324 L326 R344 K346 | E324-W454 HydrophobicContact CB-CE3 3.76Å; E324-W454 HydrophobicContact CB-CZ3 4.14Å; L326-W454 HydrophobicContact CB-CD2 3.83Å; L326-W454 HydrophobicContact CB-CE3 3.7Å; L326-W454 HydrophobicContact CB-CH2 3.86Å; L326-W454 HydrophobicContact CB-CZ2 3.99Å; L326-W454 HydrophobicContact CB-CZ3 3.7Å; L326-W454 HydrophobicContact CD1-CD2 4.12Å; L326-W454 HydrophobicContact CD1-CG 4.11Å; L326-W454 HydrophobicContact CD2-CZ2 4.03Å; L326-W454 HydrophobicContact CG-CD2 4.44Å; L326-W454 HydrophobicContact CG-CZ2 4.49Å; R344-W454 HydrophobicContact CG-CH2 3.82Å; R344-W454 HydrophobicContact CG-CZ2 4.4Å; K346-W454 HydrophobicContact CB-CH2 4.08Å; K346-W454 HydrophobicContact CB-CZ3 4.23Å; K346-W454 HydrophobicContact CD-CE3 4.45Å; K346-W454 HydrophobicContact CD-CH2 3.53Å; K346-W454 HydrophobicContact CD-CZ2 3.99Å; K346-W454 HydrophobicContact CD-CZ3 3.81Å; K346-W454 HydrophobicContact CG-CE3 4.45Å; K346-W454 HydrophobicContact CG-CH2 3.74Å; K346-W454 HydrophobicContact CG-CZ3 3.63Å |
| 455 | H | 90.6 | Very high | 87 | Confident | 2 Ų | 2 | 69.1 Ų | 69.1 | 1% | 0.009 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 125.6 | 176.2 | -62 | -77.9 | 0 | 0 | 0 | 110.6 | E324 L325 I425 H439 Q453 | E324-H455 CarbonylContact C-O 3.53Å; E324-H455 WeakPolarHBondContact CA-O 3.39Å; L325-H455 PolarHBondContact N-O 2.73Å; L325-H455 PolarHBondContact O-N 3.08Å; I425-H455 HydrophobicContact CD1-CB 3.41Å; I425-H455 VanDerWaalsContact CD1-CB 3.41Å; I425-H455 HydrophobicContact CG2-CB 4.38Å; H439-H455 AromaticContact CE1-NE2 3.86Å; H439-H455 AromaticContact CG-CE1 3.95Å; H439-H455 AromaticContact CG-NE2 3.66Å; H439-H455 AromaticContact ND1-CD2 3.99Å; H439-H455 AromaticContact ND1-CE1 3.54Å; H439-H455 AromaticContact ND1-NE2 2.86Å; H439-H455 PolarHBondContact ND1-NE2 3.06Å; Q453-H455 PolarHBondContact O-CD2 3.01Å |
| 456 | S | 87.7 | Confident | 86.9 | Confident | 71 Ų | 71 | 66.7 Ų | 66.7 | 50% | 0.497 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 128.1 | 175.7 | -35.6 | 0 | 0 | 0 | 0 | 109.8 | E324 I425 | E324-S456 PolarHBondContact OE1-OG 3Å; I425-S456 WeakPolarHBondContact CG2-O 3.32Å |
| 457 | L | 90.7 | Very high | 87.3 | Confident | 12 Ų | 12 | 64.4 Ų | 64.4 | 6% | 0.063 | 32% | 0.321 | C | S | . | . | trans | -71.5 | 145.3 | -178.5 | -64.5 | 178.4 | 0 | 0 | 0 | 111.2 | L322 G323 L325 L348 V410 I422 I425 | L322-L457 HydrophobicContact CB-CB 3.78Å; G323-L457 WeakPolarHBondContact O-CB 3.35Å; G323-L457 PolarHBondContact O-N 2.88Å; L325-L457 HydrophobicContact CB-CD2 4.2Å; L348-L457 HydrophobicContact CD2-CD1 3.56Å; V410-L457 HydrophobicContact CB-CD1 4.1Å; V410-L457 HydrophobicContact CG2-CD1 3.68Å; V410-L457 HydrophobicContact CG2-CD2 3.84Å; V410-L457 HydrophobicContact CG2-CG 4.44Å; I422-L457 HydrophobicContact CG2-CD1 4.24Å; I425-L457 HydrophobicContact CG2-CD2 4.19Å | ||
| 458 | R | 87.4 | Confident | 88.1 | Confident | 64 Ų | 64 | 60.1 Ų | 60.1 | 24% | 0.242 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -122.2 | 160.7 | -179.2 | -47.9 | -174.5 | -166.2 | -168 | 8.9 | 112.1 | L322 G423 R424 S432 E436 E462 | L322-R458 WeakPolarHBondContact CD1-O 3.37Å; G423-R458 WeakPolarHBondContact CA-O 3.43Å; R424-R458 PolarHBondContact N-O 2.85Å; R424-R458 PolarHBondContact O-N 2.78Å; S432-R458 VanDerWaalsContact C-NH2 3.3Å; S432-R458 PolarHBondContact O-NH1 2.94Å; S432-R458 PolarHBondContact O-NH2 3.35Å; S432-R458 VanDerWaalsContact O-NH2 3.12Å; E436-R458 VanDerWaalsContact CD-NH2 3.3Å; E436-R458 IonicContact OE1-CZ 2.67Å; E436-R458 IonicContact OE1-NE 3.39Å; E436-R458 PolarHBondContact OE1-NE 3.13Å; E436-R458 IonicContact OE1-NH2 3.43Å; E436-R458 PolarHBondContact OE1-NH2 3.02Å; E436-R458 IonicContact OE2-NH2 3.38Å; E436-R458 PolarHBondContact OE2-NH2 3.02Å; E436-R458 VanDerWaalsContact OE2-NH2 3.12Å; R458-E462 HydrophobicContact CB-CB 4.39Å |
| 459 | S | 85.7 | Confident | 89 | Confident | 35 Ų | 35 | 51 Ų | 51 | 25% | 0.245 | 27% | 0.272 | C | S | . | . | trans | -66 | 160 | 178.2 | 69.8 | 0 | 0 | 0 | 0 | 110.5 | A461 E462 C463 | S459-A461 VanDerWaalsContact C-N 3.34Å; S459-A461 PolarHBondContact O-N 3.3Å; S459-E462 VanDerWaalsContact CB-OE2 3.27Å; S459-E462 WeakPolarHBondContact CB-OE2 3.27Å; S459-E462 PolarHBondContact N-OE2 3.03Å; S459-E462 PolarHBondContact O-N 3.48Å; S459-E462 WeakPolarHBondContact OG-CB 3.23Å; S459-E462 VanDerWaalsContact OG-CD 3.26Å; S459-E462 WeakPolarHBondContact OG-CG 3.4Å; S459-E462 PolarHBondContact OG-N 3.23Å; S459-E462 PolarHBondContact OG-OE2 2.86Å; S459-C463 PolarHBondContact O-N 2.86Å; S459-C463 VanDerWaalsContact O-N 3.09Å | ||
| 460 | R | 85.9 | Confident | 89.4 | Confident | 68 Ų | 68 | 47 Ų | 47 | 26% | 0.257 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -57.7 | -49.3 | 176.6 | -178.2 | 176.5 | -64.1 | -117.3 | 12.1 | 111.1 | F421 E462 C463 D464 T474 | F421-R460 HydrophobicContact CE1-CB 4.01Å; F421-R460 HydrophobicContact CE2-CB 3.97Å; F421-R460 HydrophobicContact CZ-CB 3.66Å; R460-E462 VanDerWaalsContact C-N 3.35Å; R460-E462 PolarHBondContact O-N 3.06Å; R460-C463 PolarHBondContact O-N 2.94Å; R460-D464 VanDerWaalsContact CG-OD2 3.3Å; R460-D464 WeakPolarHBondContact CG-OD2 3.39Å; R460-D464 VanDerWaalsContact O-CB 3.29Å; R460-D464 WeakPolarHBondContact O-CB 3.18Å; R460-D464 PolarHBondContact O-N 3.25Å; R460-T474 PolarHBondContact NH1-OG1 2.67Å |
| 461 | A | 82.9 | Confident | 89.4 | Confident | 74 Ų | 74 | 49.1 Ų | 49.1 | 61% | 0.612 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -61 | -40.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S459 R465 | S459-A461 VanDerWaalsContact C-N 3.34Å; S459-A461 PolarHBondContact O-N 3.3Å; A461-R465 VanDerWaalsContact O-CB 3.27Å; A461-R465 WeakPolarHBondContact O-CB 3.3Å; A461-R465 PolarHBondContact O-N 3.11Å |
| 462 | E | 82.1 | Confident | 89.4 | Confident | 41 Ų | 41 | 52.8 Ų | 52.8 | 19% | 0.192 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.1 | -44.3 | 175.7 | -72.2 | 167.8 | 119.4 | 0 | 0 | 112.6 | R458 S459 R460 V466 | R458-E462 HydrophobicContact CB-CB 4.39Å; S459-E462 VanDerWaalsContact CB-OE2 3.27Å; S459-E462 WeakPolarHBondContact CB-OE2 3.27Å; S459-E462 PolarHBondContact N-OE2 3.03Å; S459-E462 PolarHBondContact O-N 3.48Å; S459-E462 WeakPolarHBondContact OG-CB 3.23Å; S459-E462 VanDerWaalsContact OG-CD 3.26Å; S459-E462 WeakPolarHBondContact OG-CG 3.4Å; S459-E462 PolarHBondContact OG-N 3.23Å; S459-E462 PolarHBondContact OG-OE2 2.86Å; R460-E462 VanDerWaalsContact C-N 3.35Å; R460-E462 PolarHBondContact O-N 3.06Å; E462-V466 WeakPolarHBondContact O-CG2 3.46Å; E462-V466 PolarHBondContact O-N 3.5Å |
| 463 | C | 87 | Confident | 89 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.6 | -45.9 | 175.8 | -84.1 | 0 | 0 | 0 | 0 | 112 | R424 S459 R460 R465 V466 S467 S470 | R424-C463 HydrophobicContact CB-CB 4.35Å; R424-C463 HydrophobicContact CG-CB 4.14Å; R424-C463 PolarHBondContact O-SG 3.38Å; S459-C463 PolarHBondContact O-N 2.86Å; S459-C463 VanDerWaalsContact O-N 3.09Å; R460-C463 PolarHBondContact O-N 2.94Å; C463-R465 VanDerWaalsContact C-N 3.28Å; C463-R465 PolarHBondContact O-N 3.49Å; C463-V466 PolarHBondContact O-N 3.39Å; C463-S467 WeakPolarHBondContact O-CB 3.47Å; C463-S467 PolarHBondContact O-N 3.34Å; C463-S470 WeakPolarHBondContact CB-OG 3.24Å |
| 464 | D | 90.2 | Very high | 88.1 | Confident | 29 Ų | 29 | 52 Ų | 52 | 16% | 0.155 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.2 | -33.3 | -179 | -70.2 | 2.1 | 0 | 0 | 0 | 111.4 | R424 R460 S470 L471 T474 | R424-D464 IonicContact NH1-OD1 2.61Å; R424-D464 PolarHBondContact NH1-OD1 2.93Å; R424-D464 IonicContact NH1-OD2 3.11Å; R460-D464 VanDerWaalsContact CG-OD2 3.3Å; R460-D464 WeakPolarHBondContact CG-OD2 3.39Å; R460-D464 VanDerWaalsContact O-CB 3.29Å; R460-D464 WeakPolarHBondContact O-CB 3.18Å; R460-D464 PolarHBondContact O-N 3.25Å; D464-S470 VanDerWaalsContact OD1-CB 3.23Å; D464-S470 WeakPolarHBondContact OD1-CB 3.08Å; D464-S470 PolarHBondContact OD1-OG 2.95Å; D464-L471 HydrophobicContact CB-CD2 3.71Å; D464-L471 HydrophobicContact CB-CG 4.41Å; D464-T474 PolarHBondContact OD2-OG1 3.42Å |
| 465 | R | 85.8 | Confident | 87.9 | Confident | 187 Ų | 187 | 50.8 Ų | 50.8 | 71% | 0.706 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -68.9 | -31.6 | 174.2 | -177.7 | 177.6 | 64.2 | 176.5 | -4.7 | 114.1 | A461 C463 | A461-R465 VanDerWaalsContact O-CB 3.27Å; A461-R465 WeakPolarHBondContact O-CB 3.3Å; A461-R465 PolarHBondContact O-N 3.11Å; C463-R465 VanDerWaalsContact C-N 3.28Å; C463-R465 PolarHBondContact O-N 3.49Å |
| 466 | V | 87.9 | Confident | 87.8 | Confident | 66 Ų | 66 | 53.3 Ų | 53.3 | 40% | 0.4 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -108 | -15.2 | -172.8 | -54.5 | 0 | 0 | 0 | 0 | 114.4 | S432 E462 C463 | S432-V466 WeakPolarHBondContact O-CG2 3.47Å; E462-V466 WeakPolarHBondContact O-CG2 3.46Å; E462-V466 PolarHBondContact O-N 3.5Å; C463-V466 PolarHBondContact O-N 3.39Å |
| 467 | S | 91.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -133.7 | 109 | -175.7 | 178.1 | 0 | 0 | 0 | 0 | 111.3 | Y430 C463 A469 S470 | Y430-S467 VanDerWaalsContact O-CB 3.29Å; Y430-S467 WeakPolarHBondContact O-CB 3.42Å; Y430-S467 PolarHBondContact O-OG 3.01Å; C463-S467 WeakPolarHBondContact O-CB 3.47Å; C463-S467 PolarHBondContact O-N 3.34Å; S467-A469 PolarHBondContact O-N 3.28Å; S467-S470 WeakPolarHBondContact O-CB 3.48Å; S467-S470 PolarHBondContact O-N 2.6Å | ||
| 468 | P | 92.4 | Very high | 87.6 | Confident | 57 Ų | 57 | 54.7 Ų | 54.7 | 37% | 0.37 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -55.5 | -33.7 | 171.7 | -29.7 | 37.4 | 0 | 0 | 0 | 113.6 | L369 Y430 S470 L471 | L369-P468 HydrophobicContact CD1-CB 4.33Å; L369-P468 HydrophobicContact CD2-CB 3.65Å; Y430-P468 HydrophobicContact CD1-CB 4.34Å; Y430-P468 HydrophobicContact CD1-CG 4.06Å; Y430-P468 HydrophobicContact CE1-CG 4.43Å; P468-S470 PolarHBondContact O-N 3.26Å; P468-L471 WeakPolarHBondContact O-CB 3.43Å; P468-L471 PolarHBondContact O-N 3.11Å; P468-L471 VanDerWaalsContact O-N 3.14Å |
| 469 | A | 93.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.4 | -20.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | V366 V407 V426 Y430 S467 | V366-A469 HydrophobicContact CB-CB 4.14Å; V366-A469 HydrophobicContact CG1-CB 3.98Å; V366-A469 HydrophobicContact CG2-CB 4.4Å; V407-A469 HydrophobicContact CG2-CB 4.34Å; V407-A469 WeakPolarHBondContact CG2-O 3.33Å; V426-A469 HydrophobicContact CG1-CB 4.22Å; Y430-A469 HydrophobicContact CD2-CB 4.07Å; Y430-A469 HydrophobicContact CG-CB 4.33Å; S467-A469 PolarHBondContact O-N 3.28Å |
| 470 | S | 93.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -72.1 | -31.3 | 174.7 | -167.8 | 0 | 0 | 0 | 0 | 112.6 | R424 C463 D464 S467 P468 V473 T474 | R424-S470 WeakPolarHBondContact CD-OG 3.49Å; R424-S470 PolarHBondContact NH1-O 3.25Å; R424-S470 PolarHBondContact NH1-OG 2.98Å; C463-S470 WeakPolarHBondContact CB-OG 3.24Å; D464-S470 VanDerWaalsContact OD1-CB 3.23Å; D464-S470 WeakPolarHBondContact OD1-CB 3.08Å; D464-S470 PolarHBondContact OD1-OG 2.95Å; S467-S470 WeakPolarHBondContact O-CB 3.48Å; S467-S470 PolarHBondContact O-N 2.6Å; P468-S470 PolarHBondContact O-N 3.26Å; S470-V473 WeakPolarHBondContact O-CG2 3.37Å; S470-T474 PolarHBondContact O-OG1 2.93Å |
| 471 | L | 92.2 | Very high | 87.9 | Confident | 95 Ų | 95 | 54.5 Ų | 54.5 | 50% | 0.497 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -69.1 | -38.9 | 176.1 | -64.1 | 168.8 | 0 | 0 | 0 | 111.6 | D464 P468 V473 T474 | D464-L471 HydrophobicContact CB-CD2 3.71Å; D464-L471 HydrophobicContact CB-CG 4.41Å; P468-L471 WeakPolarHBondContact O-CB 3.43Å; P468-L471 PolarHBondContact O-N 3.11Å; P468-L471 VanDerWaalsContact O-N 3.14Å; L471-V473 PolarHBondContact O-N 2.99Å; L471-T474 PolarHBondContact O-N 2.58Å |
| 472 | E | 92.3 | Very high | 88.3 | Confident | 83 Ų | 83 | 53 Ų | 53 | 39% | 0.388 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -0.3 | 179.5 | -61.4 | -56.5 | 142.5 | 0 | 0 | 115 | V366 L369 | V366-E472 HydrophobicContact CG1-CB 4.13Å; V366-E472 HydrophobicContact CG1-CG 4.29Å; V366-E472 HydrophobicContact CG2-CB 4.3Å; L369-E472 HydrophobicContact CB-CG 4.18Å |
| 473 | V | 86.3 | Confident | 88.8 | Confident | 10 Ų | 10 | 54 Ų | 54 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.1 | 4.2 | -177.1 | -60.5 | 0 | 0 | 0 | 0 | 114.1 | Q364 V366 L371 V407 R424 S470 L471 | Q364-V473 HydrophobicContact CB-CB 4.48Å; Q364-V473 HydrophobicContact CB-CG1 3.74Å; Q364-V473 HydrophobicContact CG-CG1 4.34Å; V366-V473 HydrophobicContact CG2-CG1 3.56Å; L371-V473 HydrophobicContact CD1-CG1 4.14Å; V407-V473 HydrophobicContact CB-CG1 4.4Å; V407-V473 HydrophobicContact CB-CG2 3.95Å; V407-V473 HydrophobicContact CG1-CG2 3.64Å; V407-V473 HydrophobicContact CG2-CG1 4.16Å; V407-V473 HydrophobicContact CG2-CG2 3.93Å; R424-V473 PolarHBondContact NH2-O 3Å; S470-V473 WeakPolarHBondContact O-CG2 3.37Å; L471-V473 PolarHBondContact O-N 2.99Å |
| 474 | T | 73.3 | Confident | 89 | Confident | 121 Ų | 121 | 58.9 Ų | 58.9 | 74% | 0.742 | 30% | 0.302 | S | S | * | . | trans | -80.8 | 0 | 174.4 | -79.5 | 0 | 0 | 0 | 0 | 110.6 | R424 R460 D464 S470 L471 | R424-T474 PolarHBondContact NH1-OG1 2.67Å; R460-T474 PolarHBondContact NH1-OG1 2.67Å; D464-T474 PolarHBondContact OD2-OG1 3.42Å; S470-T474 PolarHBondContact O-OG1 2.93Å; L471-T474 PolarHBondContact O-N 2.58Å |
Retrieved 474 of 474 residues in 1839.5 ms
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