| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.1 | Very low | 36 | Very low | 251 Ų | 251 | 138.1 Ų | 138.1 | 100% | 1.236 | 84% | 0.844 | S | S | * | * | 0 | 109.1 | 0 | -79.6 | 176.6 | 169.3 | 0 | 0 | 106.4 | |||||
| 2 | S | 32.4 | Very low | 36.9 | Very low | 109 Ų | 109 | 130 Ų | 130 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | trans | -89.2 | 160.9 | -166.4 | 28.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 3 | D | 36.4 | Very low | 38.3 | Very low | 151 Ų | 151 | 123.4 Ų | 123.4 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | trans | 60.2 | 110.4 | 153.6 | -78.3 | -23.3 | 0 | 0 | 0 | 121.4 | ||||
| 4 | S | 32.8 | Very low | 40 | Very low | 130 Ų | 130 | 118.2 Ų | 118.2 | 91% | 0.909 | 73% | 0.734 | S | S | * | * | trans | -174.2 | 80.3 | 131.6 | 52.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 5 | G | 32.7 | Very low | 41.6 | Very low | 78 Ų | 78 | 117.2 Ų | 117.2 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | trans | -156.6 | 50.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 6 | S | 36.5 | Very low | 43.7 | Very low | 118 Ų | 118 | 117.6 Ų | 117.6 | 83% | 0.825 | 72% | 0.72 | S | S | * | * | trans | -155.8 | 46 | 178.7 | 62.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 7 | Q | 33.6 | Very low | 46 | Very low | 188 Ų | 188 | 118.3 Ų | 118.3 | 88% | 0.879 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -133 | -0.2 | 175.6 | -126.5 | 176.2 | 2.7 | 0 | 0 | 116.6 | ||
| 8 | L | 35.1 | Very low | 48.1 | Very low | 174 Ų | 174 | 114.2 Ų | 114.2 | 91% | 0.911 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -95.6 | -4.6 | 178.7 | -108.8 | 87.8 | 0 | 0 | 0 | 115.6 | ||
| 9 | G | 34.6 | Very low | 50.3 | Low | 69 Ų | 69 | 114.8 Ų | 114.8 | 71% | 0.711 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -81.8 | -25.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 10 | S | 42.6 | Very low | 52.5 | Low | 96 Ų | 96 | 109.1 Ų | 109.1 | 67% | 0.671 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -79.4 | -30.9 | -167.6 | -176.5 | 0 | 0 | 0 | 0 | 114.6 | G12 | S10-G12 PolarHBondContact O-N 3.34Å |
| 11 | M | 41.4 | Very low | 54.5 | Low | 155 Ų | 155 | 107.2 Ų | 107.2 | 76% | 0.764 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -77.6 | -17.6 | -178.4 | -76.7 | -174.4 | 75.9 | 0 | 0 | 114.5 | ||
| 12 | G | 46.9 | Very low | 57.3 | Low | 41 Ų | 41 | 95.3 Ų | 95.3 | 42% | 0.423 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.7 | -41 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S10 L14 T15 | S10-G12 PolarHBondContact O-N 3.34Å; G12-L14 PolarHBondContact O-N 3.35Å; G12-T15 PolarHBondContact O-N 3.04Å; G12-T15 PolarHBondContact O-OG1 3.25Å; G12-T15 VanDerWaalsContact O-OG1 3.12Å |
| 13 | S | 54.9 | Low | 60.3 | Low | 44 Ų | 44 | 91.5 Ų | 91.5 | 31% | 0.308 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67 | -36.2 | -176.3 | -175.2 | 0 | 0 | 0 | 0 | 113.3 | T15 M16 L144 | S13-T15 VanDerWaalsContact C-N 3.26Å; S13-T15 PolarHBondContact O-N 3.38Å; S13-M16 PolarHBondContact O-N 3.3Å; S13-L144 WeakPolarHBondContact OG-CD2 3.36Å; S13-L144 WeakPolarHBondContact OG-CG 3.47Å |
| 14 | L | 61.8 | Low | 63.1 | Low | 51 Ų | 51 | 84.3 Ų | 84.3 | 27% | 0.267 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -14.1 | -178 | -66.3 | 170.7 | 0 | 0 | 0 | 114.2 | G12 P75 V76 Y103 L144 | G12-L14 PolarHBondContact O-N 3.35Å; L14-P75 HydrophobicContact CD2-CB 4.04Å; L14-V76 HydrophobicContact CB-CG1 4.4Å; L14-V76 HydrophobicContact CD2-CG1 4.09Å; L14-Y103 HydrophobicContact CD2-CD2 4.11Å; L14-Y103 HydrophobicContact CD2-CE2 3.85Å; L14-L144 HydrophobicContact CD2-CD1 4.48Å |
| 15 | T | 64.5 | Low | 66 | Low | 103 Ų | 103 | 80.3 Ų | 80.3 | 63% | 0.632 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -5.5 | 179.5 | 62.8 | 0 | 0 | 0 | 0 | 113.3 | G12 S13 K17 | G12-T15 PolarHBondContact O-N 3.04Å; G12-T15 PolarHBondContact O-OG1 3.25Å; G12-T15 VanDerWaalsContact O-OG1 3.12Å; S13-T15 VanDerWaalsContact C-N 3.26Å; S13-T15 PolarHBondContact O-N 3.38Å; T15-K17 PolarHBondContact O-N 2.94Å |
| 16 | M | 75.1 | Confident | 69 | Low | 124 Ų | 124 | 77.9 Ų | 77.9 | 61% | 0.611 | 45% | 0.448 | S | S | * | . | trans | -69.3 | 131.3 | 176.5 | -69.1 | -170.3 | 80.6 | 0 | 0 | 110.4 | S13 P75 | S13-M16 PolarHBondContact O-N 3.3Å; M16-P75 WeakPolarHBondContact O-CD 3.3Å | ||
| 17 | K | 82.8 | Confident | 71.7 | Confident | 129 Ų | 129 | 72.5 Ų | 72.5 | 56% | 0.561 | 41% | 0.41 | S | S | * | . | trans | -86.6 | 127.7 | 173.8 | -72.5 | -174.7 | 177.9 | -170.8 | 0 | 109.5 | T15 I72 V73 T74 | T15-K17 PolarHBondContact O-N 2.94Å; K17-I72 HydrophobicContact CB-CG2 3.74Å; K17-I72 HydrophobicContact CD-CG2 4.06Å; K17-I72 HydrophobicContact CG-CG2 4.24Å; K17-V73 CarbonylContact C-O 3.57Å; K17-V73 WeakPolarHBondContact CA-O 3.19Å; K17-T74 HydrophobicContact CG-CG2 3.85Å | ||
| 18 | S | 84.4 | Confident | 74.6 | Confident | 45 Ų | 45 | 70.4 Ų | 70.4 | 32% | 0.315 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 154.4 | 178.6 | -68.2 | 0 | 0 | 0 | 0 | 110.3 | I72 V73 | S18-I72 WeakPolarHBondContact O-CA 3.29Å; S18-V73 PolarHBondContact N-O 3.14Å; S18-V73 PolarHBondContact O-N 2.93Å |
| 19 | Q | 89.9 | Confident | 77.2 | Confident | 125 Ų | 125 | 62.9 Ų | 62.9 | 58% | 0.584 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 129 | 174.1 | -175 | 176.1 | -33.5 | 0 | 0 | 109.2 | T70 G141 | Q19-T70 VanDerWaalsContact CD-CG2 3.48Å; Q19-T70 HydrophobicContact CG-CG2 3.35Å; Q19-G141 VanDerWaalsContact O-O 3.08Å |
| 20 | L | 92.6 | Very high | 79.6 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 126.8 | 171.8 | -180 | 72 | 0 | 0 | 0 | 108.6 | I22 V71 V73 L79 I102 L113 L139 D140 L142 | L20-I22 HydrophobicContact CD2-CD1 4.45Å; L20-I22 HydrophobicContact CD2-CG1 4.13Å; L20-I22 HydrophobicContact CG-CG1 4.2Å; L20-V71 HydrophobicContact CB-CG2 4.31Å; L20-V71 PolarHBondContact N-O 3.28Å; L20-V71 PolarHBondContact O-N 2.83Å; L20-V73 HydrophobicContact CB-CG1 4.35Å; L20-V73 HydrophobicContact CB-CG2 3.61Å; L20-V73 HydrophobicContact CD2-CG1 4.39Å; L20-V73 HydrophobicContact CD2-CG2 4.14Å; L20-V73 HydrophobicContact CG-CG2 4.48Å; L20-L79 HydrophobicContact CD2-CD1 4.13Å; L20-I102 HydrophobicContact CD2-CD1 4.08Å; L20-L113 HydrophobicContact CD1-CD1 4.14Å; L20-L139 HydrophobicContact CD1-CB 4.34Å; L20-L139 HydrophobicContact CD2-CD2 4.26Å; L20-D140 WeakPolarHBondContact CD1-O 3.36Å; L20-L142 HydrophobicContact CD1-CB 3.91Å |
| 21 | Q | 95.2 | Very high | 81 | Confident | 71 Ų | 71 | 68.3 Ų | 68.3 | 33% | 0.332 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 122.5 | 171 | -176.2 | 172.1 | -39.2 | 0 | 0 | 109.2 | P68 L139 D140 | Q21-P68 HydrophobicContact CG-CB 4.11Å; Q21-L139 WeakPolarHBondContact O-CA 3.38Å; Q21-D140 HydrophobicContact CB-CB 4.47Å; Q21-D140 PolarHBondContact N-O 2.86Å; Q21-D140 PolarHBondContact O-N 2.94Å |
| 22 | I | 96.3 | Very high | 82 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 106 | 177.6 | -54.7 | 168.5 | 0 | 0 | 0 | 107.5 | L20 V45 L69 V71 L79 F81 I137 C138 L139 | L20-I22 HydrophobicContact CD2-CD1 4.45Å; L20-I22 HydrophobicContact CD2-CG1 4.13Å; L20-I22 HydrophobicContact CG-CG1 4.2Å; I22-V45 HydrophobicContact CD1-CG1 3.88Å; I22-L69 PolarHBondContact N-O 2.79Å; I22-L69 PolarHBondContact O-N 3.41Å; I22-V71 HydrophobicContact CD1-CG1 4.46Å; I22-V71 HydrophobicContact CD1-CG2 3.44Å; I22-V71 VanDerWaalsContact CD1-CG2 3.44Å; I22-V71 HydrophobicContact CG1-CG2 4.12Å; I22-L79 HydrophobicContact CD1-CD1 3.63Å; I22-L79 HydrophobicContact CD1-CD2 3.79Å; I22-L79 HydrophobicContact CD1-CG 4.35Å; I22-L79 HydrophobicContact CG1-CD1 4.27Å; I22-F81 HydrophobicContact CG2-CE1 4.06Å; I22-F81 HydrophobicContact CG2-CZ 4.29Å; I22-I137 HydrophobicContact CG2-CB 4.44Å; I22-C138 CarbonylContact C-O 3.57Å; I22-C138 WeakPolarHBondContact CA-O 3.37Å; I22-L139 HydrophobicContact CB-CD2 4.32Å; I22-L139 HydrophobicContact CG1-CD2 3.84Å; I22-L139 HydrophobicContact CG2-CD2 4.08Å |
| 23 | T | 95.4 | Very high | 82.2 | Confident | 29 Ų | 29 | 73.6 Ų | 73.6 | 18% | 0.178 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 110 | 172.5 | -55 | 0 | 0 | 0 | 0 | 109.1 | I25 Q67 I137 C138 | T23-I25 PolarHBondContact O-N 2.78Å; T23-Q67 WeakPolarHBondContact CA-O 3.44Å; T23-I137 CarbonylContact O-C 3.55Å; T23-I137 WeakPolarHBondContact O-CA 3.47Å; T23-C138 PolarHBondContact N-O 2.84Å; T23-C138 PolarHBondContact O-N 2.9Å |
| 24 | V | 95.3 | Very high | 81.9 | Confident | 0 Ų | 0 | 80.1 Ų | 80.1 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 109.8 | 174.6 | -175.7 | 0 | 0 | 0 | 0 | 108.1 | V43 V45 T54 W65 K66 Q67 L69 L135 | V24-V43 HydrophobicContact CG1-CB 4.08Å; V24-V43 HydrophobicContact CG1-CG1 4.38Å; V24-V43 HydrophobicContact CG1-CG2 3.79Å; V24-V45 HydrophobicContact CG2-CG2 4.37Å; V24-T54 HydrophobicContact CB-CG2 3.81Å; V24-T54 HydrophobicContact CG1-CG2 4.1Å; V24-T54 HydrophobicContact CG2-CG2 3.81Å; V24-W65 HydrophobicContact CG1-CD2 4.33Å; V24-W65 HydrophobicContact CG1-CE3 3.74Å; V24-W65 HydrophobicContact CG1-CZ3 4.16Å; V24-K66 VanDerWaalsContact O-CA 3.31Å; V24-K66 WeakPolarHBondContact O-CA 3.5Å; V24-K66 PolarHBondContact O-N 2.84Å; V24-Q67 PolarHBondContact N-O 2.96Å; V24-Q67 PolarHBondContact O-N 2.78Å; V24-L69 HydrophobicContact CG2-CD1 3.93Å; V24-L135 HydrophobicContact CG1-CD1 4.13Å |
| 25 | I | 94.4 | Very high | 81.6 | Confident | 46 Ų | 46 | 82.6 Ų | 82.6 | 24% | 0.236 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | -61.8 | -169.8 | -53.6 | 174.1 | 0 | 0 | 0 | 109.9 | T23 K64 W65 K66 V117 S136 C138 | T23-I25 PolarHBondContact O-N 2.78Å; I25-K64 WeakPolarHBondContact O-CA 3.44Å; I25-W65 PolarHBondContact O-N 3.22Å; I25-K66 PolarHBondContact O-N 2.92Å; I25-V117 HydrophobicContact CD1-CG1 3.97Å; I25-V117 HydrophobicContact CD1-CG2 4.3Å; I25-S136 WeakPolarHBondContact CB-O 3.45Å; I25-S136 PolarHBondContact N-O 2.79Å; I25-C138 HydrophobicContact CD1-CB 3.96Å; I25-C138 HydrophobicContact CG1-CB 4.35Å |
| 26 | S | 95.3 | Very high | 80.8 | Confident | 28 Ų | 28 | 88.1 Ų | 88.1 | 20% | 0.196 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.8 | 161.8 | -172.6 | 56.1 | 0 | 0 | 0 | 0 | 111.8 | P63 S136 | S26-P63 CarbonylContact C-O 3.51Å; S26-P63 WeakPolarHBondContact CA-O 3.33Å; S26-P63 WeakPolarHBondContact CB-O 3.36Å; S26-S136 PolarHBondContact N-O 2.87Å; S26-S136 PolarHBondContact O-N 2.88Å |
| 27 | A | 94.6 | Very high | 80.2 | Confident | 5 Ų | 5 | 85.8 Ų | 85.8 | 4% | 0.041 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 158.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L29 S62 P63 W65 D134 L135 | A27-L29 HydrophobicContact CB-CD2 4.46Å; A27-S62 CarbonylContact O-C 3.54Å; A27-S62 VanDerWaalsContact O-CA 3.3Å; A27-S62 WeakPolarHBondContact O-CA 3.26Å; A27-P63 HydrophobicContact CB-CG 3.83Å; A27-P63 PolarHBondContact N-O 3.24Å; A27-P63 VanDerWaalsContact O-CD 3.32Å; A27-P63 WeakPolarHBondContact O-CD 3.4Å; A27-W65 HydrophobicContact CB-CH2 3.9Å; A27-W65 HydrophobicContact CB-CZ3 3.81Å; A27-D134 CarbonylContact C-O 3.53Å; A27-D134 WeakPolarHBondContact CA-O 3.39Å; A27-D134 WeakPolarHBondContact CB-O 3.48Å; A27-L135 HydrophobicContact CB-CD1 4.05Å |
| 28 | K | 93.1 | Very high | 79.5 | Confident | 144 Ų | 144 | 80.4 Ų | 80.4 | 63% | 0.626 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 98.9 | 170.7 | -171 | -179.2 | -179.1 | -175.4 | 0 | 108.1 | G133 D134 | K28-G133 CarbonylContact O-C 3.51Å; K28-G133 WeakPolarHBondContact O-CA 3.18Å; K28-D134 PolarHBondContact N-O 2.77Å; K28-D134 PolarHBondContact O-N 3.33Å |
| 29 | L | 90.8 | Very high | 79.5 | Confident | 16 Ų | 16 | 79.3 Ų | 79.3 | 8% | 0.084 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 144.2 | -177.3 | -56.6 | 174.3 | 0 | 0 | 0 | 110 | A27 E31 P39 P41 N61 V83 L95 L122 | A27-L29 HydrophobicContact CB-CD2 4.46Å; L29-E31 PolarHBondContact O-N 2.61Å; L29-P39 HydrophobicContact CD1-CG 3.76Å; L29-P41 HydrophobicContact CD1-CB 4.25Å; L29-P41 HydrophobicContact CD1-CG 4.48Å; L29-N61 HydrophobicContact CB-CB 4.36Å; L29-N61 PolarHBondContact N-O 3.23Å; L29-V83 HydrophobicContact CD2-CG1 4.47Å; L29-L95 HydrophobicContact CD1-CD1 3.62Å; L29-L122 HydrophobicContact CD2-CD1 3.66Å |
| 30 | K | 85.1 | Confident | 79.5 | Confident | 126 Ų | 126 | 74.6 Ų | 74.6 | 55% | 0.548 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 125.4 | 177.6 | -169.9 | 178 | 176.9 | -174 | 0 | 109.1 | N32 E130 V132 | K30-N32 PolarHBondContact O-N 3.14Å; K30-E130 IonicContact NZ-OE1 2.99Å; K30-E130 PolarHBondContact NZ-OE1 3.38Å; K30-V132 WeakPolarHBondContact CB-O 3.47Å; K30-V132 PolarHBondContact N-O 3.29Å |
| 31 | E | 71.3 | Confident | 79.5 | Confident | 153 Ų | 153 | 74.6 Ų | 74.6 | 72% | 0.715 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 120.2 | 177.6 | -74.5 | -178.9 | 167.7 | 0 | 0 | 110.6 | L29 K33 N61 | L29-E31 PolarHBondContact O-N 2.61Å; E31-K33 PolarHBondContact O-N 3.3Å; E31-N61 HydrophobicContact CG-CB 4.36Å |
| 32 | N | 61.7 | Low | 79.5 | Confident | 93 Ų | 93 | 72.4 Ų | 72.4 | 50% | 0.497 | 34% | 0.34 | S | S | . | . | trans | -86.9 | 107.8 | 170.1 | -169.5 | -7.7 | 0 | 0 | 0 | 109.1 | K30 K34 N35 | K30-N32 PolarHBondContact O-N 3.14Å; N32-K34 PolarHBondContact O-N 3.49Å; N32-K34 PolarHBondContact OD1-N 2.87Å; N32-N35 PolarHBondContact O-N 2.82Å | ||
| 33 | K | 51.2 | Low | 79.5 | Confident | 214 Ų | 214 | 72.4 Ų | 72.4 | 93% | 0.93 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -10.6 | -178.6 | -68.6 | -174.6 | 178.1 | -178.5 | 0 | 114.8 | E31 | E31-K33 PolarHBondContact O-N 3.3Š|
| 34 | K | 50.4 | Low | 79.6 | Confident | 180 Ų | 180 | 72.2 Ų | 72.2 | 78% | 0.783 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -17.4 | 175.9 | -69.9 | -173 | 175.7 | -175.9 | 0 | 114.1 | N32 | N32-K34 PolarHBondContact O-N 3.49Å; N32-K34 PolarHBondContact OD1-N 2.87Å |
| 35 | N | 54.4 | Low | 79.6 | Confident | 104 Ų | 104 | 72.2 Ų | 72.2 | 56% | 0.556 | 34% | 0.337 | S | S | * | . | trans | -104.7 | 119.6 | -177.4 | -68.8 | -1.4 | 0 | 0 | 0 | 109.7 | N32 F37 | N32-N35 PolarHBondContact O-N 2.82Å; N35-F37 PolarHBondContact O-N 3.29Å | ||
| 36 | W | 48.8 | Very low | 79.6 | Confident | 218 Ų | 218 | 71.2 Ų | 71.2 | 83% | 0.826 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -69.9 | -20 | 178.8 | -166 | -87.7 | 0 | 0 | 0 | 113 | ||
| 37 | F | 60.6 | Low | 79.5 | Confident | 75 Ų | 75 | 70 Ų | 70 | 33% | 0.329 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -111.3 | 141.9 | 177.4 | -60.9 | -82 | 0 | 0 | 0 | 111.3 | N35 W649 | N35-F37 PolarHBondContact O-N 3.29Å; F37-W649 HydrophobicContact CD2-CH2 4.48Å; F37-W649 HydrophobicContact CD2-CZ2 4.14Å; F37-W649 HydrophobicContact CE1-CZ2 4.24Å; F37-W649 AromaticContact CE1-NE1 3.78Å; F37-W649 AromaticContact CE2-CE2 3.76Å; F37-W649 AromaticContact CE2-CH2 3.66Å; F37-W649 HydrophobicContact CE2-CH2 3.66Å; F37-W649 AromaticContact CE2-CZ2 3.05Å; F37-W649 HydrophobicContact CE2-CZ2 3.05Å; F37-W649 AromaticContact CZ-CE2 3.41Å; F37-W649 VanDerWaalsContact CZ-CE2 3.41Å; F37-W649 HydrophobicContact CZ-CH2 4.17Å; F37-W649 AromaticContact CZ-CZ2 3.13Å; F37-W649 HydrophobicContact CZ-CZ2 3.13Å; F37-W649 AromaticContact CZ-NE1 3.37Å |
| 38 | G | 68.2 | Low | 79.1 | Confident | 17 Ų | 17 | 74.2 Ų | 74.2 | 18% | 0.175 | 35% | 0.346 | C | S | . | . | trans | -67.2 | 154 | 164 | 0 | 0 | 0 | 0 | 0 | 110.3 | N59 | G38-N59 WeakPolarHBondContact CA-OD1 3.42Å; G38-N59 PolarHBondContact N-OD1 3.39Å; G38-N59 WeakPolarHBondContact O-CA 3.35Å; G38-N59 PolarHBondContact O-OD1 2.82Å | ||
| 39 | P | 84.9 | Confident | 78.3 | Confident | 21 Ų | 21 | 71.6 Ų | 71.6 | 14% | 0.136 | 36% | 0.36 | C | S | . | . | trans | -63.8 | 167.8 | 175.6 | 27.4 | -32.3 | 0 | 0 | 0 | 111.1 | L29 P41 N59 T60 N61 S85 L95 | L29-P39 HydrophobicContact CD1-CG 3.76Å; P39-P41 WeakPolarHBondContact O-CD 3.28Å; P39-N59 CarbonylContact O-C 3.49Å; P39-N59 VanDerWaalsContact O-CA 3.28Å; P39-N59 WeakPolarHBondContact O-CA 3.45Å; P39-N59 PolarHBondContact O-N 2.82Å; P39-T60 PolarHBondContact O-N 3.45Å; P39-N61 WeakPolarHBondContact CD-OD1 3.43Å; P39-S85 WeakPolarHBondContact CB-OG 3.37Å; P39-L95 HydrophobicContact CB-CD1 3.56Å; P39-L95 HydrophobicContact CB-CD2 4.1Å; P39-L95 HydrophobicContact CB-CG 4.45Å; P39-L95 HydrophobicContact CG-CD1 3.8Å | ||
| 40 | S | 90.1 | Very high | 78.2 | Confident | 27 Ų | 27 | 73.4 Ų | 73.4 | 19% | 0.189 | 37% | 0.368 | C | S | . | . | trans | -105.4 | 74.5 | 168.4 | -66.8 | 0 | 0 | 0 | 0 | 110.7 | C57 N59 S85 H86 | S40-C57 CarbonylContact C-O 3.55Å; S40-C57 WeakPolarHBondContact CA-O 3.48Å; S40-N59 PolarHBondContact OG-N 3Å; S40-S85 PolarHBondContact N-OG 3.31Å; S40-H86 PolarHBondContact O-N 3.18Å | ||
| 41 | P | 93.1 | Very high | 78.5 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 143.2 | -163.9 | 31.3 | -39.9 | 0 | 0 | 0 | 114.1 | L29 P39 K56 C57 T60 P63 W65 V83 W84 L95 | L29-P41 HydrophobicContact CD1-CB 4.25Å; L29-P41 HydrophobicContact CD1-CG 4.48Å; P39-P41 WeakPolarHBondContact O-CD 3.28Å; P41-K56 WeakPolarHBondContact O-CA 3.4Å; P41-C57 WeakPolarHBondContact CD-O 3.47Å; P41-C57 HydrophobicContact CG-CB 4.3Å; P41-C57 VanDerWaalsContact N-O 3.12Å; P41-C57 PolarHBondContact O-N 2.72Å; P41-T60 WeakPolarHBondContact CD-O 3.49Å; P41-T60 HydrophobicContact CG-CG2 4.27Å; P41-P63 HydrophobicContact CB-CB 4.5Å; P41-P63 HydrophobicContact CB-CG 4.14Å; P41-P63 HydrophobicContact CG-CB 3.52Å; P41-P63 HydrophobicContact CG-CG 3.45Å; P41-P63 VanDerWaalsContact CG-CG 3.45Å; P41-W65 HydrophobicContact CB-CH2 4.39Å; P41-W65 HydrophobicContact CB-CZ2 3.96Å; P41-W65 HydrophobicContact CG-CZ2 4.15Å; P41-W65 WeakPolarHBondContact O-CZ2 3.13Å; P41-W65 PolarHBondContact O-NE1 2.77Å; P41-V83 HydrophobicContact CB-CG1 4.07Å; P41-W84 CarbonylContact C-O 3.5Å; P41-W84 WeakPolarHBondContact CA-O 3.34Å; P41-L95 HydrophobicContact CB-CD1 4Å |
| 42 | Y | 95.6 | Very high | 79.4 | Confident | 24 Ų | 24 | 67.4 Ų | 67.4 | 9% | 0.094 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 160.2 | 160.3 | 67.8 | -87.6 | 0 | 0 | 0 | 110 | K53 E55 V83 W84 H86 D92 | Y42-K53 HydrophobicContact CD2-CD 4.49Å; Y42-K53 HydrophobicContact CE2-CD 3.96Å; Y42-K53 HydrophobicContact CE2-CG 4.48Å; Y42-E55 WeakPolarHBondContact CB-O 3.03Å; Y42-V83 WeakPolarHBondContact O-CA 3.24Å; Y42-W84 HydrophobicContact CD1-CB 3.93Å; Y42-W84 HydrophobicContact CD2-CB 4.24Å; Y42-W84 HydrophobicContact CE1-CB 3.42Å; Y42-W84 VanDerWaalsContact CE1-CB 3.42Å; Y42-W84 HydrophobicContact CE1-CG 4.33Å; Y42-W84 HydrophobicContact CE2-CB 3.75Å; Y42-W84 AromaticContact CE2-CD1 3.69Å; Y42-W84 AromaticContact CE2-CG 3.93Å; Y42-W84 HydrophobicContact CE2-CG 3.93Å; Y42-W84 HydrophobicContact CG-CB 4.33Å; Y42-W84 AromaticContact CZ-CD1 3.99Å; Y42-W84 AromaticContact CZ-CG 3.75Å; Y42-W84 PolarHBondContact N-O 3.14Å; Y42-W84 PolarHBondContact O-N 3.14Å; Y42-H86 HydrophobicContact CD1-CB 4.38Å; Y42-H86 HydrophobicContact CE1-CB 4.33Å; Y42-D92 WeakPolarHBondContact CE1-OD2 3.22Å; Y42-D92 VanDerWaalsContact CZ-OD2 3.31Å; Y42-D92 PolarHBondContact OH-OD2 3.29Å |
| 43 | V | 96.3 | Very high | 80.9 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 128.9 | -179.1 | -174.7 | 0 | 0 | 0 | 0 | 110 | V24 V45 K53 T54 W65 F81 R82 V83 L135 | V24-V43 HydrophobicContact CG1-CB 4.08Å; V24-V43 HydrophobicContact CG1-CG1 4.38Å; V24-V43 HydrophobicContact CG1-CG2 3.79Å; V43-V45 HydrophobicContact CG1-CG2 4.28Å; V43-K53 CarbonylContact O-C 3.56Å; V43-K53 VanDerWaalsContact O-CA 3.28Å; V43-K53 WeakPolarHBondContact O-CA 3.21Å; V43-T54 HydrophobicContact CB-CG2 4.04Å; V43-T54 PolarHBondContact N-OG1 3.02Å; V43-T54 PolarHBondContact O-N 2.83Å; V43-W65 HydrophobicContact CG2-CD2 4.5Å; V43-W65 HydrophobicContact CG2-CE3 4.25Å; V43-W65 HydrophobicContact CG2-CH2 3.47Å; V43-W65 VanDerWaalsContact CG2-CH2 3.47Å; V43-W65 HydrophobicContact CG2-CZ2 3.8Å; V43-W65 HydrophobicContact CG2-CZ3 3.73Å; V43-F81 HydrophobicContact CG1-CD1 4.18Å; V43-R82 CarbonylContact C-O 3.42Å; V43-R82 WeakPolarHBondContact CA-O 3.31Å; V43-V83 HydrophobicContact CG2-CG2 4.2Å; V43-L135 HydrophobicContact CG1-CD2 4.28Å; V43-L135 HydrophobicContact CG2-CD1 4.04Å |
| 44 | E | 96.4 | Very high | 82.9 | Confident | 26 Ų | 26 | 58.5 Ų | 58.5 | 12% | 0.121 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 126.2 | 167.2 | -179.7 | -177.1 | -130.7 | 0 | 0 | 109.5 | T46 S51 K52 K53 F81 R82 W84 | E44-T46 HydrophobicContact CG-CG2 4.09Å; E44-S51 WeakPolarHBondContact CG-OG 3.49Å; E44-S51 PolarHBondContact OE1-OG 3.47Å; E44-K52 CarbonylContact C-O 3.54Å; E44-K52 WeakPolarHBondContact CA-O 3.4Å; E44-K53 HydrophobicContact CB-CG 4.02Å; E44-K53 HydrophobicContact CG-CG 4Å; E44-K53 WeakPolarHBondContact OE1-CE 3.39Å; E44-K53 IonicContact OE1-NZ 2.75Å; E44-F81 CarbonylContact O-C 3.55Å; E44-F81 WeakPolarHBondContact O-CA 3.42Å; E44-R82 HydrophobicContact CB-CB 4.36Å; E44-R82 PolarHBondContact N-O 3.48Å; E44-R82 PolarHBondContact O-N 2.99Å; E44-R82 IonicContact OE2-NH1 3.58Å; E44-W84 PolarHBondContact OE2-NE1 2.81Å |
| 45 | V | 95.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 123.1 | 175.1 | -172.2 | 0 | 0 | 0 | 0 | 108.6 | I22 V24 V43 S51 K52 L69 H80 F81 | I22-V45 HydrophobicContact CD1-CG1 3.88Å; V24-V45 HydrophobicContact CG2-CG2 4.37Å; V43-V45 HydrophobicContact CG1-CG2 4.28Å; V45-S51 CarbonylContact O-C 3.51Å; V45-S51 WeakPolarHBondContact O-CA 3.44Å; V45-K52 PolarHBondContact N-O 3.47Å; V45-K52 PolarHBondContact O-N 3.43Å; V45-L69 HydrophobicContact CB-CD1 4.38Å; V45-L69 HydrophobicContact CG2-CD1 3.66Å; V45-H80 CarbonylContact C-O 3.43Å; V45-H80 WeakPolarHBondContact CA-O 3.39Å; V45-F81 HydrophobicContact CB-CD1 4.41Å; V45-F81 HydrophobicContact CB-CE1 4.35Å; V45-F81 HydrophobicContact CG1-CD1 4.24Å; V45-F81 HydrophobicContact CG1-CE1 3.85Å; V45-F81 HydrophobicContact CG1-CZ 4.27Å; V45-F81 HydrophobicContact CG2-CD1 3.63Å; V45-F81 HydrophobicContact CG2-CE1 3.61Å |
| 46 | T | 94.3 | Very high | 86.5 | Confident | 25 Ų | 25 | 55 Ų | 55 | 15% | 0.153 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 134.2 | 177 | 54.2 | 0 | 0 | 0 | 0 | 111.5 | E44 Q50 H80 | E44-T46 HydrophobicContact CG-CG2 4.09Å; T46-Q50 CarbonylContact C-O 3.59Å; T46-Q50 WeakPolarHBondContact CA-O 3.34Å; T46-H80 PolarHBondContact N-O 2.91Å; T46-H80 PolarHBondContact O-N 3.31Å; T46-H80 WeakPolarHBondContact OG1-CB 3.18Å; T46-H80 PolarHBondContact OG1-O 2.99Å |
| 47 | V | 92.6 | Very high | 88.2 | Confident | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.018 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 132 | 177.5 | 57.4 | 0 | 0 | 0 | 0 | 110.3 | G49 Q50 V71 V73 K78 L79 | V47-G49 PolarHBondContact O-N 3.32Å; V47-Q50 PolarHBondContact N-O 2.89Å; V47-Q50 WeakPolarHBondContact O-CB 3.4Å; V47-Q50 PolarHBondContact O-N 3.29Å; V47-V71 HydrophobicContact CG1-CB 3.75Å; V47-V71 HydrophobicContact CG1-CG1 3.88Å; V47-V71 HydrophobicContact CG1-CG2 4.03Å; V47-V73 HydrophobicContact CG1-CG1 4.17Å; V47-V73 HydrophobicContact CG2-CG1 3.95Å; V47-K78 WeakPolarHBondContact CG2-O 3.11Å; V47-L79 HydrophobicContact CB-CD2 3.66Å; V47-L79 HydrophobicContact CG1-CD2 3.84Å; V47-L79 HydrophobicContact CG2-CD2 3.81Å |
| 48 | D | 87.4 | Confident | 89.3 | Confident | 92 Ų | 92 | 47.6 Ų | 47.6 | 49% | 0.492 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.9 | 38.9 | 175.5 | -56.9 | -22.1 | 0 | 0 | 0 | 114.6 | Q50 S77 | D48-Q50 VanDerWaalsContact C-N 3.33Å; D48-Q50 PolarHBondContact O-N 2.87Å; D48-S77 VanDerWaalsContact OD2-CB 3.31Å; D48-S77 WeakPolarHBondContact OD2-CB 3.45Å; D48-S77 PolarHBondContact OD2-OG 3.4Å |
| 49 | G | 76.9 | Confident | 90 | Very high | 89 Ų | 89 | 51 Ų | 51 | 92% | 0.918 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | 3.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | V47 | V47-G49 PolarHBondContact O-N 3.32Š|
| 50 | Q | 88.1 | Confident | 90.1 | Very high | 54 Ų | 54 | 51.9 Ų | 51.9 | 25% | 0.252 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 143.4 | 168.8 | -65.1 | 162.7 | 73.1 | 0 | 0 | 109.9 | T46 V47 D48 I72 | T46-Q50 CarbonylContact C-O 3.59Å; T46-Q50 WeakPolarHBondContact CA-O 3.34Å; V47-Q50 PolarHBondContact N-O 2.89Å; V47-Q50 WeakPolarHBondContact O-CB 3.4Å; V47-Q50 PolarHBondContact O-N 3.29Å; D48-Q50 VanDerWaalsContact C-N 3.33Å; D48-Q50 PolarHBondContact O-N 2.87Å; Q50-I72 PolarHBondContact NE2-O 3.35Å |
| 51 | S | 91.4 | Very high | 90 | Very high | 56 Ų | 56 | 52.3 Ų | 52.3 | 39% | 0.392 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 133.5 | 168.4 | -174.9 | 0 | 0 | 0 | 0 | 110.2 | E44 V45 | E44-S51 WeakPolarHBondContact CG-OG 3.49Å; E44-S51 PolarHBondContact OE1-OG 3.47Å; V45-S51 CarbonylContact O-C 3.51Å; V45-S51 WeakPolarHBondContact O-CA 3.44Å |
| 52 | K | 89.9 | Confident | 89.9 | Confident | 97 Ų | 97 | 55.4 Ų | 55.4 | 42% | 0.422 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 138.1 | 176.4 | -66.2 | -64.4 | -177.2 | -175.3 | 0 | 109.4 | E44 V45 L69 V71 | E44-K52 CarbonylContact C-O 3.54Å; E44-K52 WeakPolarHBondContact CA-O 3.4Å; V45-K52 PolarHBondContact N-O 3.47Å; V45-K52 PolarHBondContact O-N 3.43Å; K52-L69 HydrophobicContact CB-CB 4.29Å; K52-L69 HydrophobicContact CB-CD1 4.14Å; K52-L69 HydrophobicContact CB-CD2 4.35Å; K52-V71 HydrophobicContact CG-CG1 4.01Å |
| 53 | K | 93.4 | Very high | 89.7 | Confident | 108 Ų | 108 | 54.3 Ų | 54.3 | 47% | 0.47 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 145.4 | -177 | -63.2 | -178.4 | 179.1 | -173.8 | 0 | 111.5 | Y42 V43 E44 | Y42-K53 HydrophobicContact CD2-CD 4.49Å; Y42-K53 HydrophobicContact CE2-CD 3.96Å; Y42-K53 HydrophobicContact CE2-CG 4.48Å; V43-K53 CarbonylContact O-C 3.56Å; V43-K53 VanDerWaalsContact O-CA 3.28Å; V43-K53 WeakPolarHBondContact O-CA 3.21Å; E44-K53 HydrophobicContact CB-CG 4.02Å; E44-K53 HydrophobicContact CG-CG 4Å; E44-K53 WeakPolarHBondContact OE1-CE 3.39Å; E44-K53 IonicContact OE1-NZ 2.75Å |
| 54 | T | 93.3 | Very high | 89.5 | Confident | 12 Ų | 12 | 61.8 Ų | 61.8 | 7% | 0.074 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -81.3 | 168.4 | 167.1 | 68.7 | 0 | 0 | 0 | 0 | 111 | V24 V43 W65 Q67 L69 | V24-T54 HydrophobicContact CB-CG2 3.81Å; V24-T54 HydrophobicContact CG1-CG2 4.1Å; V24-T54 HydrophobicContact CG2-CG2 3.81Å; V43-T54 HydrophobicContact CB-CG2 4.04Å; V43-T54 PolarHBondContact N-OG1 3.02Å; V43-T54 PolarHBondContact O-N 2.83Å; T54-W65 HydrophobicContact CG2-CG 4.42Å; T54-W65 PolarHBondContact OG1-NE1 2.78Å; T54-Q67 VanDerWaalsContact CB-OE1 3.29Å; T54-L69 HydrophobicContact CG2-CD1 4Å |
| 55 | E | 88.6 | Confident | 89.3 | Confident | 144 Ų | 144 | 62 Ų | 62 | 67% | 0.673 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -64 | 159.6 | 162.8 | -64.1 | -175.5 | 174.2 | 0 | 0 | 111.2 | Y42 W65 | Y42-E55 WeakPolarHBondContact CB-O 3.03Å; E55-W65 PolarHBondContact O-NE1 2.87Å |
| 56 | K | 90.6 | Very high | 89 | Confident | 68 Ų | 68 | 69.4 Ų | 69.4 | 30% | 0.296 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -81.3 | 138.1 | 173.8 | 68.6 | -179.8 | 178.8 | -174.7 | 0 | 110.9 | P41 H86 E642 | P41-K56 WeakPolarHBondContact O-CA 3.4Å; K56-H86 HydrophobicContact CD-CB 4.02Å; K56-H86 VanDerWaalsContact CD-CD2 3.46Å; K56-H86 WeakPolarHBondContact CD-CD2 3.49Å; K56-H86 PolarHBondContact NZ-CD2 3.49Å; K56-H86 PolarHBondContact NZ-NE2 3.08Å; K56-E642 IonicContact NZ-OE2 3.14Å; K56-E642 PolarHBondContact NZ-OE2 3.47Å |
| 57 | C | 85.9 | Confident | 88.6 | Confident | 26 Ų | 26 | 70.6 Ų | 70.6 | 18% | 0.176 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -94.6 | 136 | 162.1 | -75.1 | 0 | 0 | 0 | 0 | 108.2 | S40 P41 T60 P63 | S40-C57 CarbonylContact C-O 3.55Å; S40-C57 WeakPolarHBondContact CA-O 3.48Å; P41-C57 WeakPolarHBondContact CD-O 3.47Å; P41-C57 HydrophobicContact CG-CB 4.3Å; P41-C57 VanDerWaalsContact N-O 3.12Å; P41-C57 PolarHBondContact O-N 2.72Å; C57-T60 HydrophobicContact CB-CG2 3.72Å; C57-P63 HydrophobicContact CB-CB 3.68Å |
| 58 | N | 84.1 | Confident | 88.5 | Confident | 110 Ų | 110 | 73.9 Ų | 73.9 | 59% | 0.588 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -91.9 | 135.3 | -175.9 | -63.8 | -31.7 | 0 | 0 | 0 | 111.6 | T60 | N58-T60 PolarHBondContact O-N 3.39Š|
| 59 | N | 82.3 | Confident | 88.7 | Confident | 89 Ų | 89 | 70.1 Ų | 70.1 | 48% | 0.476 | 38% | 0.375 | S | S | . | . | S | Bend | trans | 48.9 | 57.2 | 168.5 | -169.1 | 22.1 | 0 | 0 | 0 | 114.6 | G38 P39 S40 | G38-N59 WeakPolarHBondContact CA-OD1 3.42Å; G38-N59 PolarHBondContact N-OD1 3.39Å; G38-N59 WeakPolarHBondContact O-CA 3.35Å; G38-N59 PolarHBondContact O-OD1 2.82Å; P39-N59 CarbonylContact O-C 3.49Å; P39-N59 VanDerWaalsContact O-CA 3.28Å; P39-N59 WeakPolarHBondContact O-CA 3.45Å; P39-N59 PolarHBondContact O-N 2.82Å; S40-N59 PolarHBondContact OG-N 3Å |
| 60 | T | 86 | Confident | 89.5 | Confident | 39 Ų | 39 | 68.7 Ų | 68.7 | 24% | 0.239 | 35% | 0.349 | C | S | . | . | trans | -149.5 | 135.2 | -177.8 | -178.3 | 0 | 0 | 0 | 0 | 113 | P39 P41 C57 N58 S62 P63 | P39-T60 PolarHBondContact O-N 3.45Å; P41-T60 WeakPolarHBondContact CD-O 3.49Å; P41-T60 HydrophobicContact CG-CG2 4.27Å; C57-T60 HydrophobicContact CB-CG2 3.72Å; N58-T60 PolarHBondContact O-N 3.39Å; T60-S62 VanDerWaalsContact C-N 3.3Å; T60-S62 PolarHBondContact OG1-N 2.78Å; T60-P63 HydrophobicContact CG2-CB 3.96Å | ||
| 61 | N | 88.8 | Confident | 89.5 | Confident | 37 Ų | 37 | 66.2 Ų | 66.2 | 20% | 0.198 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -85.4 | -4.4 | 167.4 | -68.1 | -62.4 | 0 | 0 | 0 | 112.3 | L29 E31 P39 P63 | L29-N61 HydrophobicContact CB-CB 4.36Å; L29-N61 PolarHBondContact N-O 3.23Å; E31-N61 HydrophobicContact CG-CB 4.36Å; P39-N61 WeakPolarHBondContact CD-OD1 3.43Å; N61-P63 VanDerWaalsContact C-CD 3.42Å |
| 62 | S | 90.3 | Very high | 89.5 | Confident | 64 Ų | 64 | 67.6 Ų | 67.6 | 45% | 0.448 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -130.8 | 59.9 | -178.8 | -65.9 | 0 | 0 | 0 | 0 | 111.6 | A27 T60 | A27-S62 CarbonylContact O-C 3.54Å; A27-S62 VanDerWaalsContact O-CA 3.3Å; A27-S62 WeakPolarHBondContact O-CA 3.26Å; T60-S62 VanDerWaalsContact C-N 3.3Å; T60-S62 PolarHBondContact OG1-N 2.78Å |
| 63 | P | 91.5 | Very high | 89.5 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.013 | 32% | 0.319 | C | S | . | . | trans | -64.6 | 149.1 | -178 | 29.8 | -39.5 | 0 | 0 | 0 | 113 | S26 A27 P41 C57 T60 N61 W65 | S26-P63 CarbonylContact C-O 3.51Å; S26-P63 WeakPolarHBondContact CA-O 3.33Å; S26-P63 WeakPolarHBondContact CB-O 3.36Å; A27-P63 HydrophobicContact CB-CG 3.83Å; A27-P63 PolarHBondContact N-O 3.24Å; A27-P63 VanDerWaalsContact O-CD 3.32Å; A27-P63 WeakPolarHBondContact O-CD 3.4Å; P41-P63 HydrophobicContact CB-CB 4.5Å; P41-P63 HydrophobicContact CB-CG 4.14Å; P41-P63 HydrophobicContact CG-CB 3.52Å; P41-P63 HydrophobicContact CG-CG 3.45Å; P41-P63 VanDerWaalsContact CG-CG 3.45Å; C57-P63 HydrophobicContact CB-CB 3.68Å; T60-P63 HydrophobicContact CG2-CB 3.96Å; N61-P63 VanDerWaalsContact C-CD 3.42Å; P63-W65 HydrophobicContact CB-CD2 4.3Å; P63-W65 HydrophobicContact CB-CE3 4.29Å; P63-W65 HydrophobicContact CB-CH2 3.52Å; P63-W65 HydrophobicContact CB-CZ2 3.47Å; P63-W65 VanDerWaalsContact CB-CZ2 3.47Å; P63-W65 HydrophobicContact CB-CZ3 3.93Å; P63-W65 HydrophobicContact CG-CE3 4.43Å; P63-W65 HydrophobicContact CG-CH2 3.11Å; P63-W65 HydrophobicContact CG-CZ2 3.56Å; P63-W65 HydrophobicContact CG-CZ3 3.61Å | ||
| 64 | K | 92.1 | Very high | 89.3 | Confident | 156 Ų | 156 | 58.7 Ų | 58.7 | 68% | 0.678 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 109.9 | 175.8 | -63.2 | -176.8 | -178.5 | 177.6 | 0 | 108.8 | I25 | I25-K64 WeakPolarHBondContact O-CA 3.44Å |
| 65 | W | 92.9 | Very high | 89 | Confident | 30 Ų | 30 | 58.3 Ų | 58.3 | 11% | 0.114 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | -47.2 | -177.9 | -60.6 | -86.4 | 0 | 0 | 0 | 111.9 | V24 I25 A27 P41 V43 T54 E55 P63 Q67 L135 | V24-W65 HydrophobicContact CG1-CD2 4.33Å; V24-W65 HydrophobicContact CG1-CE3 3.74Å; V24-W65 HydrophobicContact CG1-CZ3 4.16Å; I25-W65 PolarHBondContact O-N 3.22Å; A27-W65 HydrophobicContact CB-CH2 3.9Å; A27-W65 HydrophobicContact CB-CZ3 3.81Å; P41-W65 HydrophobicContact CB-CH2 4.39Å; P41-W65 HydrophobicContact CB-CZ2 3.96Å; P41-W65 HydrophobicContact CG-CZ2 4.15Å; P41-W65 WeakPolarHBondContact O-CZ2 3.13Å; P41-W65 PolarHBondContact O-NE1 2.77Å; V43-W65 HydrophobicContact CG2-CD2 4.5Å; V43-W65 HydrophobicContact CG2-CE3 4.25Å; V43-W65 HydrophobicContact CG2-CH2 3.47Å; V43-W65 VanDerWaalsContact CG2-CH2 3.47Å; V43-W65 HydrophobicContact CG2-CZ2 3.8Å; V43-W65 HydrophobicContact CG2-CZ3 3.73Å; T54-W65 HydrophobicContact CG2-CG 4.42Å; T54-W65 PolarHBondContact OG1-NE1 2.78Å; E55-W65 PolarHBondContact O-NE1 2.87Å; P63-W65 HydrophobicContact CB-CD2 4.3Å; P63-W65 HydrophobicContact CB-CE3 4.29Å; P63-W65 HydrophobicContact CB-CH2 3.52Å; P63-W65 HydrophobicContact CB-CZ2 3.47Å; P63-W65 VanDerWaalsContact CB-CZ2 3.47Å; P63-W65 HydrophobicContact CB-CZ3 3.93Å; P63-W65 HydrophobicContact CG-CE3 4.43Å; P63-W65 HydrophobicContact CG-CH2 3.11Å; P63-W65 HydrophobicContact CG-CZ2 3.56Å; P63-W65 HydrophobicContact CG-CZ3 3.61Å; W65-Q67 HydrophobicContact CB-CB 4.2Å; W65-Q67 PolarHBondContact O-N 2.77Å; W65-L135 HydrophobicContact CZ3-CD1 4.29Å |
| 66 | K | 89.9 | Confident | 89.1 | Confident | 157 Ų | 157 | 55.2 Ų | 55.2 | 68% | 0.683 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 49.7 | 36 | -170.7 | -57.7 | -176.3 | 176.7 | -174.5 | 0 | 112.6 | V24 I25 | V24-K66 VanDerWaalsContact O-CA 3.31Å; V24-K66 WeakPolarHBondContact O-CA 3.5Å; V24-K66 PolarHBondContact O-N 2.84Å; I25-K66 PolarHBondContact O-N 2.92Å |
| 67 | Q | 84.4 | Confident | 89.1 | Confident | 50 Ų | 50 | 52.2 Ų | 52.2 | 23% | 0.234 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 124.5 | -173.1 | -171.9 | 172.6 | 4.9 | 0 | 0 | 110.5 | T23 V24 T54 W65 L69 | T23-Q67 WeakPolarHBondContact CA-O 3.44Å; V24-Q67 PolarHBondContact N-O 2.96Å; V24-Q67 PolarHBondContact O-N 2.78Å; T54-Q67 VanDerWaalsContact CB-OE1 3.29Å; W65-Q67 HydrophobicContact CB-CB 4.2Å; W65-Q67 PolarHBondContact O-N 2.77Å; Q67-L69 HydrophobicContact CG-CD2 4.49Å |
| 68 | P | 90.6 | Very high | 89.6 | Confident | 72 Ų | 72 | 56.2 Ų | 56.2 | 47% | 0.468 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 128.9 | 175.3 | 31.3 | -32.9 | 0 | 0 | 0 | 111 | Q21 | Q21-P68 HydrophobicContact CG-CB 4.11Å |
| 69 | L | 92 | Very high | 90.1 | Very high | 13 Ų | 13 | 51 Ų | 51 | 7% | 0.068 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 125.4 | 172.8 | -58.1 | 179.6 | 0 | 0 | 0 | 108.4 | I22 V24 V45 K52 T54 Q67 | I22-L69 PolarHBondContact N-O 2.79Å; I22-L69 PolarHBondContact O-N 3.41Å; V24-L69 HydrophobicContact CG2-CD1 3.93Å; V45-L69 HydrophobicContact CB-CD1 4.38Å; V45-L69 HydrophobicContact CG2-CD1 3.66Å; K52-L69 HydrophobicContact CB-CB 4.29Å; K52-L69 HydrophobicContact CB-CD1 4.14Å; K52-L69 HydrophobicContact CB-CD2 4.35Å; T54-L69 HydrophobicContact CG2-CD1 4Å; Q67-L69 HydrophobicContact CG-CD2 4.49Å |
| 70 | T | 93.3 | Very high | 90.7 | Very high | 59 Ų | 59 | 50.8 Ų | 50.8 | 36% | 0.362 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 128.1 | 178.7 | -60.6 | 0 | 0 | 0 | 0 | 110.2 | Q19 | Q19-T70 VanDerWaalsContact CD-CG2 3.48Å; Q19-T70 HydrophobicContact CG-CG2 3.35Å |
| 71 | V | 89.1 | Confident | 91.2 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 153.8 | 176.5 | -67.6 | 0 | 0 | 0 | 0 | 110.6 | L20 I22 V47 K52 V73 L79 | L20-V71 HydrophobicContact CB-CG2 4.31Å; L20-V71 PolarHBondContact N-O 3.28Å; L20-V71 PolarHBondContact O-N 2.83Å; I22-V71 HydrophobicContact CD1-CG1 4.46Å; I22-V71 HydrophobicContact CD1-CG2 3.44Å; I22-V71 VanDerWaalsContact CD1-CG2 3.44Å; I22-V71 HydrophobicContact CG1-CG2 4.12Å; V47-V71 HydrophobicContact CG1-CB 3.75Å; V47-V71 HydrophobicContact CG1-CG1 3.88Å; V47-V71 HydrophobicContact CG1-CG2 4.03Å; K52-V71 HydrophobicContact CG-CG1 4.01Å; V71-V73 HydrophobicContact CB-CG1 4.37Å; V71-V73 HydrophobicContact CG2-CG1 3.7Å; V71-L79 HydrophobicContact CG2-CD2 4.42Å |
| 72 | I | 90.2 | Very high | 91.6 | Very high | 85 Ų | 85 | 51.5 Ų | 51.5 | 44% | 0.436 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 122.7 | 172.5 | -58.6 | 172.7 | 0 | 0 | 0 | 108 | K17 S18 Q50 | K17-I72 HydrophobicContact CB-CG2 3.74Å; K17-I72 HydrophobicContact CD-CG2 4.06Å; K17-I72 HydrophobicContact CG-CG2 4.24Å; S18-I72 WeakPolarHBondContact O-CA 3.29Å; Q50-I72 PolarHBondContact NE2-O 3.35Å |
| 73 | V | 90.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 160.1 | -174.2 | -59.1 | 0 | 0 | 0 | 0 | 111 | K17 S18 L20 V47 V71 L79 I102 L142 | K17-V73 CarbonylContact C-O 3.57Å; K17-V73 WeakPolarHBondContact CA-O 3.19Å; S18-V73 PolarHBondContact N-O 3.14Å; S18-V73 PolarHBondContact O-N 2.93Å; L20-V73 HydrophobicContact CB-CG1 4.35Å; L20-V73 HydrophobicContact CB-CG2 3.61Å; L20-V73 HydrophobicContact CD2-CG1 4.39Å; L20-V73 HydrophobicContact CD2-CG2 4.14Å; L20-V73 HydrophobicContact CG-CG2 4.48Å; V47-V73 HydrophobicContact CG1-CG1 4.17Å; V47-V73 HydrophobicContact CG2-CG1 3.95Å; V71-V73 HydrophobicContact CB-CG1 4.37Å; V71-V73 HydrophobicContact CG2-CG1 3.7Å; V73-L79 HydrophobicContact CG1-CD2 4.18Å; V73-I102 HydrophobicContact CB-CD1 3.66Å; V73-I102 HydrophobicContact CG1-CD1 3.76Å; V73-I102 HydrophobicContact CG2-CD1 3.87Å; V73-L142 HydrophobicContact CG2-CD2 4.28Å |
| 74 | T | 89.1 | Confident | 91.9 | Very high | 18 Ų | 18 | 51 Ų | 51 | 11% | 0.11 | 24% | 0.244 | C | C | . | . | trans | -102.2 | 162.4 | 161.9 | 67.6 | 0 | 0 | 0 | 0 | 109.2 | K17 V76 S77 | K17-T74 HydrophobicContact CG-CG2 3.85Å; T74-V76 PolarHBondContact O-N 2.79Å; T74-V76 WeakPolarHBondContact OG1-CG2 3.46Å; T74-S77 PolarHBondContact N-OG 3.21Å; T74-S77 WeakPolarHBondContact O-CB 3.31Å; T74-S77 PolarHBondContact O-N 3.04Å; T74-S77 PolarHBondContact O-OG 3.22Å; T74-S77 PolarHBondContact OG1-N 2.8Å; T74-S77 PolarHBondContact OG1-OG 2.98Å | ||
| 75 | P | 86.7 | Confident | 91.8 | Very high | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.032 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -20.5 | 174.8 | -29.5 | 37 | 0 | 0 | 0 | 114.9 | L14 M16 Y103 L106 L144 | L14-P75 HydrophobicContact CD2-CB 4.04Å; M16-P75 WeakPolarHBondContact O-CD 3.3Å; P75-Y103 WeakPolarHBondContact O-CA 3.43Å; P75-Y103 VanDerWaalsContact O-CB 3.22Å; P75-Y103 WeakPolarHBondContact O-CB 3.32Å; P75-Y103 PolarHBondContact O-N 2.8Å; P75-Y103 VanDerWaalsContact O-N 3.08Å; P75-L106 HydrophobicContact CB-CD1 4.03Å; P75-L144 HydrophobicContact CB-CD1 3.38Å; P75-L144 HydrophobicContact CG-CD1 3.29Å |
| 76 | V | 89.8 | Confident | 91.4 | Very high | 79 Ų | 79 | 45.6 Ų | 45.6 | 48% | 0.479 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 5.1 | 179.6 | -61.5 | 0 | 0 | 0 | 0 | 113.7 | L14 T74 | L14-V76 HydrophobicContact CB-CG1 4.4Å; L14-V76 HydrophobicContact CD2-CG1 4.09Å; T74-V76 PolarHBondContact O-N 2.79Å; T74-V76 WeakPolarHBondContact OG1-CG2 3.46Å |
| 77 | S | 92.2 | Very high | 90.8 | Very high | 4 Ų | 4 | 41.4 Ų | 41.4 | 3% | 0.028 | 21% | 0.207 | C | C | . | . | trans | -70.5 | 152.4 | 179.8 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | D48 T74 I102 | D48-S77 VanDerWaalsContact OD2-CB 3.31Å; D48-S77 WeakPolarHBondContact OD2-CB 3.45Å; D48-S77 PolarHBondContact OD2-OG 3.4Å; T74-S77 PolarHBondContact N-OG 3.21Å; T74-S77 WeakPolarHBondContact O-CB 3.31Å; T74-S77 PolarHBondContact O-N 3.04Å; T74-S77 PolarHBondContact O-OG 3.22Å; T74-S77 PolarHBondContact OG1-N 2.8Å; T74-S77 PolarHBondContact OG1-OG 2.98Å; S77-I102 WeakPolarHBondContact O-CB 3.18Å; S77-I102 VanDerWaalsContact O-CG1 3.24Å; S77-I102 WeakPolarHBondContact O-CG1 3.36Å; S77-I102 PolarHBondContact O-N 2.88Å | ||
| 78 | K | 94.8 | Very high | 89.9 | Confident | 110 Ų | 110 | 41.9 Ų | 41.9 | 48% | 0.478 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 125.1 | 175.4 | -65.6 | -172.6 | 179.1 | -171 | 0 | 110.3 | V47 L100 D101 | V47-K78 WeakPolarHBondContact CG2-O 3.11Å; K78-L100 WeakPolarHBondContact CA-O 3.14Å; K78-D101 WeakPolarHBondContact CE-OD2 3.48Å; K78-D101 IonicContact NZ-OD2 3.58Å |
| 79 | L | 94.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 129.9 | 173.3 | -58.4 | 178.9 | 0 | 0 | 0 | 108.9 | L20 I22 V47 V71 V73 F81 A99 L100 I102 L139 | L20-L79 HydrophobicContact CD2-CD1 4.13Å; I22-L79 HydrophobicContact CD1-CD1 3.63Å; I22-L79 HydrophobicContact CD1-CD2 3.79Å; I22-L79 HydrophobicContact CD1-CG 4.35Å; I22-L79 HydrophobicContact CG1-CD1 4.27Å; V47-L79 HydrophobicContact CB-CD2 3.66Å; V47-L79 HydrophobicContact CG1-CD2 3.84Å; V47-L79 HydrophobicContact CG2-CD2 3.81Å; V71-L79 HydrophobicContact CG2-CD2 4.42Å; V73-L79 HydrophobicContact CG1-CD2 4.18Å; L79-F81 HydrophobicContact CB-CD2 4.41Å; L79-F81 HydrophobicContact CB-CE2 3.56Å; L79-F81 HydrophobicContact CB-CZ 3.91Å; L79-F81 HydrophobicContact CD1-CE2 4.27Å; L79-F81 HydrophobicContact CD1-CZ 3.94Å; L79-A99 CarbonylContact O-C 3.54Å; L79-A99 WeakPolarHBondContact O-CA 3.38Å; L79-L100 HydrophobicContact CB-CB 4.34Å; L79-L100 HydrophobicContact CD1-CD2 4.09Å; L79-L100 HydrophobicContact CG-CD2 4.5Å; L79-L100 PolarHBondContact N-O 2.85Å; L79-L100 PolarHBondContact O-N 2.87Å; L79-I102 HydrophobicContact CD1-CD1 4.46Å; L79-I102 HydrophobicContact CD1-CG1 4.37Å; L79-I102 HydrophobicContact CD2-CD1 4.1Å; L79-I102 HydrophobicContact CG-CD1 4.01Å; L79-I102 HydrophobicContact CG-CG1 4.07Å; L79-L139 HydrophobicContact CD1-CD2 4.14Å |
| 80 | H | 96.3 | Very high | 86.9 | Confident | 85 Ų | 85 | 43.9 Ų | 43.9 | 39% | 0.394 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 123.7 | 173.4 | -66.7 | -82.4 | 0 | 0 | 0 | 109.8 | V45 T46 | V45-H80 CarbonylContact C-O 3.43Å; V45-H80 WeakPolarHBondContact CA-O 3.39Å; T46-H80 PolarHBondContact N-O 2.91Å; T46-H80 PolarHBondContact O-N 3.31Å; T46-H80 WeakPolarHBondContact OG1-CB 3.18Å; T46-H80 PolarHBondContact OG1-O 2.99Å |
| 81 | F | 96.5 | Very high | 85.9 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 130.4 | 179.4 | -60.2 | -91.3 | 0 | 0 | 0 | 109.3 | I22 V43 E44 V45 L79 T97 A98 L100 L120 L135 I137 | I22-F81 HydrophobicContact CG2-CE1 4.06Å; I22-F81 HydrophobicContact CG2-CZ 4.29Å; V43-F81 HydrophobicContact CG1-CD1 4.18Å; E44-F81 CarbonylContact O-C 3.55Å; E44-F81 WeakPolarHBondContact O-CA 3.42Å; V45-F81 HydrophobicContact CB-CD1 4.41Å; V45-F81 HydrophobicContact CB-CE1 4.35Å; V45-F81 HydrophobicContact CG1-CD1 4.24Å; V45-F81 HydrophobicContact CG1-CE1 3.85Å; V45-F81 HydrophobicContact CG1-CZ 4.27Å; V45-F81 HydrophobicContact CG2-CD1 3.63Å; V45-F81 HydrophobicContact CG2-CE1 3.61Å; L79-F81 HydrophobicContact CB-CD2 4.41Å; L79-F81 HydrophobicContact CB-CE2 3.56Å; L79-F81 HydrophobicContact CB-CZ 3.91Å; L79-F81 HydrophobicContact CD1-CE2 4.27Å; L79-F81 HydrophobicContact CD1-CZ 3.94Å; F81-T97 CarbonylContact O-C 3.51Å; F81-T97 VanDerWaalsContact O-CA 3.23Å; F81-T97 WeakPolarHBondContact O-CA 3.41Å; F81-A98 HydrophobicContact CB-CB 4.38Å; F81-A98 PolarHBondContact N-O 3.01Å; F81-A98 PolarHBondContact O-N 3.37Å; F81-L100 HydrophobicContact CE2-CB 4.15Å; F81-L120 HydrophobicContact CD2-CD1 3.59Å; F81-L120 HydrophobicContact CE2-CD1 3.63Å; F81-L120 HydrophobicContact CG-CD1 4.38Å; F81-L120 HydrophobicContact CZ-CD1 4.45Å; F81-L135 HydrophobicContact CB-CD2 3.67Å; F81-L135 HydrophobicContact CD1-CD2 3.79Å; F81-L135 HydrophobicContact CG-CD2 3.8Å; F81-I137 HydrophobicContact CE1-CD1 4.08Å; F81-I137 HydrophobicContact CE1-CG2 4Å; F81-I137 HydrophobicContact CE2-CD1 3.88Å; F81-I137 HydrophobicContact CZ-CD1 3.42Å; F81-I137 VanDerWaalsContact CZ-CD1 3.42Å; F81-I137 HydrophobicContact CZ-CG2 4.41Å |
| 82 | R | 95.6 | Very high | 85.7 | Confident | 90 Ų | 90 | 46.3 Ų | 46.3 | 34% | 0.34 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 125.5 | 170.1 | -60.3 | -168.2 | 179.7 | 88.1 | 6.5 | 108.9 | V43 E44 L94 T97 | V43-R82 CarbonylContact C-O 3.42Å; V43-R82 WeakPolarHBondContact CA-O 3.31Å; E44-R82 HydrophobicContact CB-CB 4.36Å; E44-R82 PolarHBondContact N-O 3.48Å; E44-R82 PolarHBondContact O-N 2.99Å; E44-R82 IonicContact OE2-NH1 3.58Å; R82-L94 HydrophobicContact CB-CD1 3.86Å; R82-L94 HydrophobicContact CG-CD1 4.4Å; R82-T97 HydrophobicContact CG-CG2 4.07Å |
| 83 | V | 94.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 118 | 174.7 | -171.3 | 0 | 0 | 0 | 0 | 107.7 | L29 P41 Y42 V43 L95 G96 L122 | L29-V83 HydrophobicContact CD2-CG1 4.47Å; P41-V83 HydrophobicContact CB-CG1 4.07Å; Y42-V83 WeakPolarHBondContact O-CA 3.24Å; V43-V83 HydrophobicContact CG2-CG2 4.2Å; V83-L95 HydrophobicContact CB-CB 4.48Å; V83-L95 HydrophobicContact CG1-CB 4.41Å; V83-L95 HydrophobicContact CG1-CD1 4.23Å; V83-L95 WeakPolarHBondContact O-CA 3.01Å; V83-L95 WeakPolarHBondContact O-CB 3.44Å; V83-L95 PolarHBondContact O-N 3.48Å; V83-G96 PolarHBondContact N-O 2.83Å; V83-G96 PolarHBondContact O-N 3.28Å; V83-L122 HydrophobicContact CG2-CD1 3.82Å; V83-L122 HydrophobicContact CG2-CD2 3.7Å; V83-L122 HydrophobicContact CG2-CG 4.45Å |
| 84 | W | 93.7 | Very high | 85.5 | Confident | 57 Ų | 57 | 47 Ų | 47 | 22% | 0.216 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 144.8 | -176.8 | -67.4 | 97.3 | 0 | 0 | 0 | 110.2 | P41 Y42 E44 D92 V93 L94 | P41-W84 CarbonylContact C-O 3.5Å; P41-W84 WeakPolarHBondContact CA-O 3.34Å; Y42-W84 HydrophobicContact CD1-CB 3.93Å; Y42-W84 HydrophobicContact CD2-CB 4.24Å; Y42-W84 HydrophobicContact CE1-CB 3.42Å; Y42-W84 VanDerWaalsContact CE1-CB 3.42Å; Y42-W84 HydrophobicContact CE1-CG 4.33Å; Y42-W84 HydrophobicContact CE2-CB 3.75Å; Y42-W84 AromaticContact CE2-CD1 3.69Å; Y42-W84 AromaticContact CE2-CG 3.93Å; Y42-W84 HydrophobicContact CE2-CG 3.93Å; Y42-W84 HydrophobicContact CG-CB 4.33Å; Y42-W84 AromaticContact CZ-CD1 3.99Å; Y42-W84 AromaticContact CZ-CG 3.75Å; Y42-W84 PolarHBondContact N-O 3.14Å; Y42-W84 PolarHBondContact O-N 3.14Å; E44-W84 PolarHBondContact OE2-NE1 2.81Å; W84-D92 HydrophobicContact CE3-CB 4.27Å; W84-V93 CarbonylContact C-O 3.41Å; W84-V93 WeakPolarHBondContact CA-O 3.2Å; W84-L94 HydrophobicContact CD2-CB 4.47Å; W84-L94 HydrophobicContact CD2-CD1 3.88Å; W84-L94 HydrophobicContact CE3-CB 3.88Å; W84-L94 HydrophobicContact CE3-CD1 4.16Å; W84-L94 HydrophobicContact CG-CD1 4.41Å; W84-L94 HydrophobicContact CH2-CB 4.06Å; W84-L94 HydrophobicContact CH2-CD1 4.2Å; W84-L94 HydrophobicContact CZ2-CD1 3.95Å; W84-L94 HydrophobicContact CZ3-CB 3.66Å; W84-L94 HydrophobicContact CZ3-CD1 4.31Å |
| 85 | S | 89.6 | Confident | 85.6 | Confident | 14 Ų | 14 | 48.1 Ų | 48.1 | 10% | 0.098 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 120.3 | 166.6 | -176 | 0 | 0 | 0 | 0 | 109.6 | P39 S40 D92 V93 | P39-S85 WeakPolarHBondContact CB-OG 3.37Å; S40-S85 PolarHBondContact N-OG 3.31Å; S85-D92 CarbonylContact O-C 3.55Å; S85-D92 VanDerWaalsContact O-CA 3.31Å; S85-D92 WeakPolarHBondContact O-CA 3.38Å; S85-D92 WeakPolarHBondContact O-CB 3.31Å; S85-V93 PolarHBondContact N-O 3.03Å; S85-V93 PolarHBondContact O-N 3.05Å |
| 86 | H | 84.8 | Confident | 85.8 | Confident | 57 Ų | 57 | 47.9 Ų | 47.9 | 26% | 0.264 | 24% | 0.242 | S | C | . | . | trans | -67.5 | 136.6 | 176.2 | -179.9 | 58.7 | 0 | 0 | 0 | 112.3 | S40 Y42 K56 D92 | S40-H86 PolarHBondContact O-N 3.18Å; Y42-H86 HydrophobicContact CD1-CB 4.38Å; Y42-H86 HydrophobicContact CE1-CB 4.33Å; K56-H86 HydrophobicContact CD-CB 4.02Å; K56-H86 VanDerWaalsContact CD-CD2 3.46Å; K56-H86 WeakPolarHBondContact CD-CD2 3.49Å; K56-H86 PolarHBondContact NZ-CD2 3.49Å; K56-H86 PolarHBondContact NZ-NE2 3.08Å; H86-D92 WeakPolarHBondContact CA-OD1 3.33Å; H86-D92 IonicContact CE1-OD1 2.7Å; H86-D92 IonicContact CG-OD1 2.66Å; H86-D92 IonicContact ND1-OD1 3.3Å; H86-D92 PolarHBondContact ND1-OD1 3.29Å; H86-D92 IonicContact ND1-OD2 2.71Å | ||
| 87 | Q | 77.6 | Confident | 86 | Confident | 69 Ų | 69 | 46.7 Ų | 46.7 | 32% | 0.322 | 23% | 0.234 | S | C | . | . | trans | -122.5 | 138.4 | 172.3 | -62.8 | -157.9 | 28.5 | 0 | 0 | 111.5 | K90 D92 | Q87-K90 HydrophobicContact CB-CB 4.48Å; Q87-K90 WeakPolarHBondContact CB-O 3.34Å; Q87-D92 PolarHBondContact N-OD1 3.02Å | ||
| 88 | T | 64.6 | Low | 86.1 | Confident | 60 Ų | 60 | 47.1 Ų | 47.1 | 37% | 0.368 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -85.2 | -28.2 | -179.5 | 28 | 0 | 0 | 0 | 0 | 113.8 | S646 | T88-S646 WeakPolarHBondContact CB-OG 3.31Å; T88-S646 PolarHBondContact OG1-OG 3.12Å |
| 89 | L | 53 | Low | 86.1 | Confident | 35 Ų | 35 | 44.7 Ų | 44.7 | 18% | 0.183 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -107.9 | -11.8 | -175.5 | -64.8 | 174.8 | 0 | 0 | 0 | 113.9 | F643 L647 M662 | L89-F643 HydrophobicContact CD2-CD2 4.27Å; L89-F643 HydrophobicContact CD2-CE1 4.43Å; L89-F643 HydrophobicContact CD2-CE2 3.49Å; L89-F643 VanDerWaalsContact CD2-CE2 3.49Å; L89-F643 HydrophobicContact CD2-CZ 3.6Å; L89-L647 HydrophobicContact CD2-CD2 4.37Å; L89-M662 HydrophobicContact CD1-SD 4.45Å |
| 90 | K | 67.9 | Low | 86.2 | Confident | 92 Ų | 92 | 45 Ų | 45 | 40% | 0.4 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -142.3 | 176.8 | -177.5 | -64.2 | -172.1 | -179.1 | -178.3 | 0 | 109.8 | Q87 E661 | Q87-K90 HydrophobicContact CB-CB 4.48Å; Q87-K90 WeakPolarHBondContact CB-O 3.34Å; K90-E661 PolarHBondContact NZ-O 3.41Å |
| 91 | S | 71.7 | Confident | 86.1 | Confident | 65 Ų | 65 | 43.4 Ų | 43.4 | 46% | 0.455 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -62.4 | 149.2 | 171.1 | 46.7 | 0 | 0 | 0 | 0 | 112.7 | ||
| 92 | D | 84.9 | Confident | 85.9 | Confident | 46 Ų | 46 | 43.3 Ų | 43.3 | 25% | 0.246 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -61.2 | 142.9 | 176.1 | -67.6 | -8.2 | 0 | 0 | 0 | 111 | Y42 W84 S85 H86 Q87 | Y42-D92 WeakPolarHBondContact CE1-OD2 3.22Å; Y42-D92 VanDerWaalsContact CZ-OD2 3.31Å; Y42-D92 PolarHBondContact OH-OD2 3.29Å; W84-D92 HydrophobicContact CE3-CB 4.27Å; S85-D92 CarbonylContact O-C 3.55Å; S85-D92 VanDerWaalsContact O-CA 3.31Å; S85-D92 WeakPolarHBondContact O-CA 3.38Å; S85-D92 WeakPolarHBondContact O-CB 3.31Å; H86-D92 WeakPolarHBondContact CA-OD1 3.33Å; H86-D92 IonicContact CE1-OD1 2.7Å; H86-D92 IonicContact CG-OD1 2.66Å; H86-D92 IonicContact ND1-OD1 3.3Å; H86-D92 PolarHBondContact ND1-OD1 3.29Å; H86-D92 IonicContact ND1-OD2 2.71Å; Q87-D92 PolarHBondContact N-OD1 3.02Å |
| 93 | V | 87.7 | Confident | 85.6 | Confident | 66 Ų | 66 | 43 Ų | 43 | 40% | 0.4 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 130.1 | -177.5 | 167.1 | 0 | 0 | 0 | 0 | 110.6 | W84 S85 L95 | W84-V93 CarbonylContact C-O 3.41Å; W84-V93 WeakPolarHBondContact CA-O 3.2Å; S85-V93 PolarHBondContact N-O 3.03Å; S85-V93 PolarHBondContact O-N 3.05Å; V93-L95 PolarHBondContact O-N 2.8Å |
| 94 | L | 89.6 | Confident | 85.4 | Confident | 33 Ų | 33 | 47.6 Ų | 47.6 | 17% | 0.173 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 120.4 | 174.8 | -173.5 | 62.3 | 0 | 0 | 0 | 110.1 | R82 W84 T97 D125 | R82-L94 HydrophobicContact CB-CD1 3.86Å; R82-L94 HydrophobicContact CG-CD1 4.4Å; W84-L94 HydrophobicContact CD2-CB 4.47Å; W84-L94 HydrophobicContact CD2-CD1 3.88Å; W84-L94 HydrophobicContact CE3-CB 3.88Å; W84-L94 HydrophobicContact CE3-CD1 4.16Å; W84-L94 HydrophobicContact CG-CD1 4.41Å; W84-L94 HydrophobicContact CH2-CB 4.06Å; W84-L94 HydrophobicContact CH2-CD1 4.2Å; W84-L94 HydrophobicContact CZ2-CD1 3.95Å; W84-L94 HydrophobicContact CZ3-CB 3.66Å; W84-L94 HydrophobicContact CZ3-CD1 4.31Å; L94-T97 HydrophobicContact CD1-CG2 4.12Å; L94-T97 HydrophobicContact CD2-CG2 3.88Å; L94-T97 HydrophobicContact CG-CG2 4.33Å; L94-D125 HydrophobicContact CD2-CB 4.15Å |
| 95 | L | 90.1 | Very high | 85.3 | Confident | 43 Ų | 43 | 45.8 Ų | 45.8 | 23% | 0.225 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | -34.1 | -179.9 | -59.8 | 177.7 | 0 | 0 | 0 | 112.5 | L29 P39 P41 V83 V93 V132 | L29-L95 HydrophobicContact CD1-CD1 3.62Å; P39-L95 HydrophobicContact CB-CD1 3.56Å; P39-L95 HydrophobicContact CB-CD2 4.1Å; P39-L95 HydrophobicContact CB-CG 4.45Å; P39-L95 HydrophobicContact CG-CD1 3.8Å; P41-L95 HydrophobicContact CB-CD1 4Å; V83-L95 HydrophobicContact CB-CB 4.48Å; V83-L95 HydrophobicContact CG1-CB 4.41Å; V83-L95 HydrophobicContact CG1-CD1 4.23Å; V83-L95 WeakPolarHBondContact O-CA 3.01Å; V83-L95 WeakPolarHBondContact O-CB 3.44Å; V83-L95 PolarHBondContact O-N 3.48Å; V93-L95 PolarHBondContact O-N 2.8Å; L95-V132 VanDerWaalsContact O-CG2 3.31Å; L95-V132 WeakPolarHBondContact O-CG2 3Å |
| 96 | G | 91.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.2 | 165.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | V83 G123 | V83-G96 PolarHBondContact N-O 2.83Å; V83-G96 PolarHBondContact O-N 3.28Å; G96-G123 CarbonylContact C-O 3.54Å; G96-G123 VanDerWaalsContact CA-O 3.27Å; G96-G123 WeakPolarHBondContact CA-O 3.43Å |
| 97 | T | 94.1 | Very high | 85.3 | Confident | 53 Ų | 53 | 48.4 Ų | 48.4 | 33% | 0.325 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 149.5 | -177.7 | 66.2 | 0 | 0 | 0 | 0 | 112.2 | F81 R82 L94 L122 G123 | F81-T97 CarbonylContact O-C 3.51Å; F81-T97 VanDerWaalsContact O-CA 3.23Å; F81-T97 WeakPolarHBondContact O-CA 3.41Å; R82-T97 HydrophobicContact CG-CG2 4.07Å; L94-T97 HydrophobicContact CD1-CG2 4.12Å; L94-T97 HydrophobicContact CD2-CG2 3.88Å; L94-T97 HydrophobicContact CG-CG2 4.33Å; T97-L122 CarbonylContact O-C 3.57Å; T97-L122 WeakPolarHBondContact O-CA 3.12Å; T97-G123 PolarHBondContact N-O 2.54Å; T97-G123 PolarHBondContact O-N 2.93Å |
| 98 | A | 95.1 | Very high | 85.9 | Confident | 13 Ų | 13 | 49.7 Ų | 49.7 | 11% | 0.107 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 158.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | F81 L120 L122 | F81-A98 HydrophobicContact CB-CB 4.38Å; F81-A98 PolarHBondContact N-O 3.01Å; F81-A98 PolarHBondContact O-N 3.37Å; A98-L120 HydrophobicContact CB-CB 3.83Å; A98-L120 HydrophobicContact CB-CD1 4.12Å; A98-L122 HydrophobicContact CB-CD2 3.95Å |
| 99 | A | 94.4 | Very high | 87 | Confident | 59 Ų | 59 | 49.4 Ų | 49.4 | 49% | 0.488 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 147.9 | 173 | 0 | 0 | 0 | 0 | 0 | 110.8 | L79 | L79-A99 CarbonylContact O-C 3.54Å; L79-A99 WeakPolarHBondContact O-CA 3.38Å |
| 100 | L | 95.9 | Very high | 88.7 | Confident | 8 Ų | 8 | 55.2 Ų | 55.2 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 129.3 | 175.7 | 180 | 152 | 0 | 0 | 0 | 109.5 | K78 L79 F81 I102 T105 V118 L120 I137 L139 | K78-L100 WeakPolarHBondContact CA-O 3.14Å; L79-L100 HydrophobicContact CB-CB 4.34Å; L79-L100 HydrophobicContact CD1-CD2 4.09Å; L79-L100 HydrophobicContact CG-CD2 4.5Å; L79-L100 PolarHBondContact N-O 2.85Å; L79-L100 PolarHBondContact O-N 2.87Å; F81-L100 HydrophobicContact CE2-CB 4.15Å; L100-I102 HydrophobicContact CD2-CG1 4.06Å; L100-T105 WeakPolarHBondContact CD2-OG1 3.3Å; L100-V118 HydrophobicContact CD1-CB 4.19Å; L100-V118 HydrophobicContact CD1-CG1 3.92Å; L100-V118 HydrophobicContact CD1-CG2 4.16Å; L100-L120 HydrophobicContact CB-CD1 4.21Å; L100-L120 HydrophobicContact CB-CD2 4.28Å; L100-L120 HydrophobicContact CD1-CD2 4.22Å; L100-I137 HydrophobicContact CD1-CD1 3.99Å; L100-L139 HydrophobicContact CD1-CD1 3.91Å; L100-L139 HydrophobicContact CD2-CD1 4.12Å |
| 101 | D | 94.4 | Very high | 89.7 | Confident | 50 Ų | 50 | 52.3 Ų | 52.3 | 27% | 0.267 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 117.2 | 171.5 | -165.2 | -52.7 | 0 | 0 | 0 | 109.4 | K78 Y103 E104 T105 | K78-D101 WeakPolarHBondContact CE-OD2 3.48Å; K78-D101 IonicContact NZ-OD2 3.58Å; D101-Y103 VanDerWaalsContact C-N 3.29Å; D101-Y103 PolarHBondContact O-N 2.83Å; D101-Y103 WeakPolarHBondContact OD1-CB 3.37Å; D101-Y103 PolarHBondContact OD1-N 2.78Å; D101-E104 HydrophobicContact CB-CB 4.25Å; D101-E104 HydrophobicContact CB-CG 4.25Å; D101-E104 PolarHBondContact OD1-N 3.02Å; D101-T105 PolarHBondContact O-N 2.8Å; D101-T105 PolarHBondContact O-OG1 2.77Å |
| 102 | I | 92.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.5 | -35.5 | -175.4 | -65.5 | 178.2 | 0 | 0 | 0 | 110.7 | L20 V73 S77 L79 L100 T105 L106 L113 L142 | L20-I102 HydrophobicContact CD2-CD1 4.08Å; V73-I102 HydrophobicContact CB-CD1 3.66Å; V73-I102 HydrophobicContact CG1-CD1 3.76Å; V73-I102 HydrophobicContact CG2-CD1 3.87Å; S77-I102 WeakPolarHBondContact O-CB 3.18Å; S77-I102 VanDerWaalsContact O-CG1 3.24Å; S77-I102 WeakPolarHBondContact O-CG1 3.36Å; S77-I102 PolarHBondContact O-N 2.88Å; L79-I102 HydrophobicContact CD1-CD1 4.46Å; L79-I102 HydrophobicContact CD1-CG1 4.37Å; L79-I102 HydrophobicContact CD2-CD1 4.1Å; L79-I102 HydrophobicContact CG-CD1 4.01Å; L79-I102 HydrophobicContact CG-CG1 4.07Å; L100-I102 HydrophobicContact CD2-CG1 4.06Å; I102-T105 PolarHBondContact O-N 2.87Å; I102-L106 HydrophobicContact CG2-CD1 3.86Å; I102-L106 HydrophobicContact CG2-CG 4.27Å; I102-L106 WeakPolarHBondContact O-CB 3.49Å; I102-L106 WeakPolarHBondContact O-CG 3.36Å; I102-L106 PolarHBondContact O-N 2.87Å; I102-L113 HydrophobicContact CG2-CD1 4.38Å; I102-L142 HydrophobicContact CG2-CD2 3.48Å; I102-L142 VanDerWaalsContact CG2-CD2 3.48Å |
| 103 | Y | 90.3 | Very high | 90.7 | Very high | 84 Ų | 84 | 50.6 Ų | 50.6 | 33% | 0.329 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.9 | -45.8 | -176.5 | -174.2 | -105.9 | 0 | 0 | 0 | 111.3 | L14 P75 D101 T105 L106 K107 M111 | L14-Y103 HydrophobicContact CD2-CD2 4.11Å; L14-Y103 HydrophobicContact CD2-CE2 3.85Å; P75-Y103 WeakPolarHBondContact O-CA 3.43Å; P75-Y103 VanDerWaalsContact O-CB 3.22Å; P75-Y103 WeakPolarHBondContact O-CB 3.32Å; P75-Y103 PolarHBondContact O-N 2.8Å; P75-Y103 VanDerWaalsContact O-N 3.08Å; D101-Y103 VanDerWaalsContact C-N 3.29Å; D101-Y103 PolarHBondContact O-N 2.83Å; D101-Y103 WeakPolarHBondContact OD1-CB 3.37Å; D101-Y103 PolarHBondContact OD1-N 2.78Å; Y103-T105 VanDerWaalsContact C-N 3.26Å; Y103-T105 PolarHBondContact O-N 3.31Å; Y103-L106 WeakPolarHBondContact O-CB 3.35Å; Y103-L106 PolarHBondContact O-N 2.84Å; Y103-K107 WeakPolarHBondContact O-CB 3.23Å; Y103-K107 PolarHBondContact O-N 3.49Å; Y103-M111 HydrophobicContact CE2-CE 4.19Å |
| 104 | E | 90.6 | Very high | 90.8 | Very high | 96 Ų | 96 | 53.2 Ų | 53.2 | 45% | 0.449 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.9 | -35.5 | 176.4 | -68 | -59.1 | 149 | 0 | 0 | 111.7 | D101 K107 S108 | D101-E104 HydrophobicContact CB-CB 4.25Å; D101-E104 HydrophobicContact CB-CG 4.25Å; D101-E104 PolarHBondContact OD1-N 3.02Å; E104-K107 PolarHBondContact O-N 2.88Å; E104-S108 WeakPolarHBondContact O-CB 3.39Å; E104-S108 PolarHBondContact O-N 2.76Å; E104-S108 PolarHBondContact O-OG 2.87Å |
| 105 | T | 91 | Very high | 90.9 | Very high | 19 Ų | 19 | 58.7 Ų | 58.7 | 12% | 0.117 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.7 | -42.6 | 176.3 | -49.9 | 0 | 0 | 0 | 0 | 111.2 | L100 D101 I102 Y103 S108 N109 L113 V118 L139 | L100-T105 WeakPolarHBondContact CD2-OG1 3.3Å; D101-T105 PolarHBondContact O-N 2.8Å; D101-T105 PolarHBondContact O-OG1 2.77Å; I102-T105 PolarHBondContact O-N 2.87Å; Y103-T105 VanDerWaalsContact C-N 3.26Å; Y103-T105 PolarHBondContact O-N 3.31Å; T105-S108 PolarHBondContact O-N 3.25Å; T105-N109 PolarHBondContact O-N 2.85Å; T105-N109 PolarHBondContact O-ND2 2.8Å; T105-L113 HydrophobicContact CG2-CD2 3.83Å; T105-V118 HydrophobicContact CG2-CG2 4.2Å; T105-L139 HydrophobicContact CG2-CD1 4.11Å |
| 106 | L | 88.4 | Confident | 91.1 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.1 | -49.1 | 172.2 | -82.6 | 165.5 | 0 | 0 | 0 | 111.1 | P75 I102 Y103 S108 N109 N110 M111 L113 L142 L144 | P75-L106 HydrophobicContact CB-CD1 4.03Å; I102-L106 HydrophobicContact CG2-CD1 3.86Å; I102-L106 HydrophobicContact CG2-CG 4.27Å; I102-L106 WeakPolarHBondContact O-CB 3.49Å; I102-L106 WeakPolarHBondContact O-CG 3.36Å; I102-L106 PolarHBondContact O-N 2.87Å; Y103-L106 WeakPolarHBondContact O-CB 3.35Å; Y103-L106 PolarHBondContact O-N 2.84Å; L106-S108 VanDerWaalsContact C-N 3.25Å; L106-S108 PolarHBondContact O-N 3.41Å; L106-N109 CarbonylContact O-C 3.57Å; L106-N109 VanDerWaalsContact O-C 3.31Å; L106-N109 PolarHBondContact O-N 3.38Å; L106-N110 PolarHBondContact O-N 3.42Å; L106-M111 HydrophobicContact CB-SD 4.37Å; L106-M111 WeakPolarHBondContact CD2-O 3.19Å; L106-M111 VanDerWaalsContact O-CA 3.26Å; L106-M111 WeakPolarHBondContact O-CA 3.33Å; L106-M111 PolarHBondContact O-N 2.91Å; L106-L113 HydrophobicContact CD2-CD1 4.23Å; L106-L113 HydrophobicContact CD2-CD2 4.31Å; L106-L113 HydrophobicContact CD2-CG 3.71Å; L106-L113 HydrophobicContact CG-CD1 4.2Å; L106-L113 HydrophobicContact CG-CD2 4.48Å; L106-L113 HydrophobicContact CG-CG 4.1Å; L106-L142 HydrophobicContact CD1-CD2 3.83Å; L106-L142 HydrophobicContact CD1-CG 4.44Å; L106-L142 HydrophobicContact CD2-CD2 4.22Å; L106-L142 HydrophobicContact CD2-CG 4.24Å; L106-L142 HydrophobicContact CG-CD2 4.24Å; L106-L144 HydrophobicContact CD1-CD1 4.36Å |
| 107 | K | 86.7 | Confident | 91.2 | Very high | 126 Ų | 126 | 62 Ų | 62 | 55% | 0.548 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.9 | -39.4 | 179.6 | -173.3 | 179.7 | 178.8 | -175.2 | 0 | 112.2 | Y103 E104 N109 | Y103-K107 WeakPolarHBondContact O-CB 3.23Å; Y103-K107 PolarHBondContact O-N 3.49Å; E104-K107 PolarHBondContact O-N 2.88Å; K107-N109 PolarHBondContact O-N 3.02Å |
| 108 | S | 89.3 | Confident | 91.3 | Very high | 95 Ų | 95 | 60.9 Ų | 60.9 | 66% | 0.664 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -71.9 | -16.3 | 177.4 | -56.8 | 0 | 0 | 0 | 0 | 113.6 | E104 T105 L106 | E104-S108 WeakPolarHBondContact O-CB 3.39Å; E104-S108 PolarHBondContact O-N 2.76Å; E104-S108 PolarHBondContact O-OG 2.87Å; T105-S108 PolarHBondContact O-N 3.25Å; L106-S108 VanDerWaalsContact C-N 3.25Å; L106-S108 PolarHBondContact O-N 3.41Å |
| 109 | N | 88.8 | Confident | 91.3 | Very high | 55 Ų | 55 | 64.4 Ų | 64.4 | 29% | 0.294 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | 41.3 | -176.4 | -66.3 | -83.7 | 0 | 0 | 0 | 112 | T105 L106 K107 M111 K112 L113 V116 | T105-N109 PolarHBondContact O-N 2.85Å; T105-N109 PolarHBondContact O-ND2 2.8Å; L106-N109 CarbonylContact O-C 3.57Å; L106-N109 VanDerWaalsContact O-C 3.31Å; L106-N109 PolarHBondContact O-N 3.38Å; K107-N109 PolarHBondContact O-N 3.02Å; N109-M111 PolarHBondContact O-N 3.06Å; N109-M111 VanDerWaalsContact O-N 3.14Å; N109-K112 WeakPolarHBondContact CB-O 3.27Å; N109-K112 PolarHBondContact O-N 2.92Å; N109-L113 HydrophobicContact CB-CD2 4.23Å; N109-V116 HydrophobicContact CB-CG2 4.27Å |
| 110 | N | 88.1 | Confident | 91.3 | Very high | 156 Ų | 156 | 62.6 Ų | 62.6 | 83% | 0.834 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 37.1 | 177.2 | -58.7 | -43 | 0 | 0 | 0 | 113.9 | L106 K112 | L106-N110 PolarHBondContact O-N 3.42Å; N110-K112 PolarHBondContact O-N 2.99Å |
| 111 | M | 87.9 | Confident | 91.2 | Very high | 32 Ų | 32 | 68.4 Ų | 68.4 | 16% | 0.158 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 23.2 | -176.9 | -54.2 | -60.6 | -68.2 | 0 | 0 | 114.2 | Y103 L106 N109 Q143 L144 | Y103-M111 HydrophobicContact CE2-CE 4.19Å; L106-M111 HydrophobicContact CB-SD 4.37Å; L106-M111 WeakPolarHBondContact CD2-O 3.19Å; L106-M111 VanDerWaalsContact O-CA 3.26Å; L106-M111 WeakPolarHBondContact O-CA 3.33Å; L106-M111 PolarHBondContact O-N 2.91Å; N109-M111 PolarHBondContact O-N 3.06Å; N109-M111 VanDerWaalsContact O-N 3.14Å; M111-Q143 CarbonylContact O-C 3.58Å; M111-Q143 WeakPolarHBondContact O-CA 3.4Å; M111-L144 HydrophobicContact CB-CB 4.04Å; M111-L144 WeakPolarHBondContact CB-O 3.41Å; M111-L144 HydrophobicContact CE-CB 3.69Å; M111-L144 HydrophobicContact CE-CD1 4.07Å; M111-L144 HydrophobicContact CE-CD2 3.77Å; M111-L144 HydrophobicContact CE-CG 4.06Å; M111-L144 PolarHBondContact O-N 3.2Å |
| 112 | K | 88.9 | Confident | 91.1 | Very high | 72 Ų | 72 | 66 Ų | 66 | 31% | 0.313 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 130.5 | 179 | -167.4 | -177.8 | -172 | -164.2 | 0 | 111.2 | N109 N110 E114 L142 Q143 | N109-K112 WeakPolarHBondContact CB-O 3.27Å; N109-K112 PolarHBondContact O-N 2.92Å; N110-K112 PolarHBondContact O-N 2.99Å; K112-E114 HydrophobicContact CD-CB 4.47Å; K112-E114 VanDerWaalsContact CE-OE2 3.29Å; K112-E114 WeakPolarHBondContact CE-OE2 3.43Å; K112-E114 HydrophobicContact CG-CB 4.44Å; K112-E114 VanDerWaalsContact NZ-CD 3.33Å; K112-E114 IonicContact NZ-OE1 3.56Å; K112-E114 IonicContact NZ-OE2 2.61Å; K112-E114 PolarHBondContact NZ-OE2 3.07Å; K112-L142 CarbonylContact C-O 3.31Å; K112-Q143 HydrophobicContact CB-CG 4.17Å; K112-Q143 HydrophobicContact CD-CG 4.46Å; K112-Q143 HydrophobicContact CG-CB 4.1Å; K112-Q143 HydrophobicContact CG-CG 3.95Å |
| 113 | L | 89.1 | Confident | 91 | Very high | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 96.8 | 170.6 | -54.3 | -178.4 | 0 | 0 | 0 | 108.5 | L20 I102 T105 L106 N109 V116 L139 G141 L142 | L20-L113 HydrophobicContact CD1-CD1 4.14Å; I102-L113 HydrophobicContact CG2-CD1 4.38Å; T105-L113 HydrophobicContact CG2-CD2 3.83Å; L106-L113 HydrophobicContact CD2-CD1 4.23Å; L106-L113 HydrophobicContact CD2-CD2 4.31Å; L106-L113 HydrophobicContact CD2-CG 3.71Å; L106-L113 HydrophobicContact CG-CD1 4.2Å; L106-L113 HydrophobicContact CG-CD2 4.48Å; L106-L113 HydrophobicContact CG-CG 4.1Å; N109-L113 HydrophobicContact CB-CD2 4.23Å; L113-V116 HydrophobicContact CB-CG2 4.44Å; L113-V116 HydrophobicContact CD2-CB 4.37Å; L113-V116 HydrophobicContact CD2-CG2 4.12Å; L113-L139 HydrophobicContact CB-CB 4.49Å; L113-L139 HydrophobicContact CD1-CB 4.33Å; L113-L139 HydrophobicContact CD1-CD1 4.18Å; L113-G141 PolarHBondContact O-N 3.32Å; L113-L142 HydrophobicContact CB-CB 4.22Å; L113-L142 HydrophobicContact CD1-CB 4.25Å; L113-L142 HydrophobicContact CD1-CD2 4.07Å; L113-L142 HydrophobicContact CG-CB 4.43Å; L113-L142 PolarHBondContact N-O 3.2Å; L113-L142 PolarHBondContact O-N 3.04Å |
| 114 | E | 91.2 | Very high | 90.5 | Very high | 121 Ų | 121 | 63.2 Ų | 63.2 | 57% | 0.565 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -127.4 | 110 | 174.3 | -176.2 | 175.5 | -140.7 | 0 | 0 | 107.3 | K112 V116 D140 | K112-E114 HydrophobicContact CD-CB 4.47Å; K112-E114 VanDerWaalsContact CE-OE2 3.29Å; K112-E114 WeakPolarHBondContact CE-OE2 3.43Å; K112-E114 HydrophobicContact CG-CB 4.44Å; K112-E114 VanDerWaalsContact NZ-CD 3.33Å; K112-E114 IonicContact NZ-OE1 3.56Å; K112-E114 IonicContact NZ-OE2 2.61Å; K112-E114 PolarHBondContact NZ-OE2 3.07Å; E114-V116 PolarHBondContact O-N 2.99Å; E114-V116 VanDerWaalsContact O-N 3.14Å; E114-D140 WeakPolarHBondContact CA-OD1 3.42Å |
| 115 | E | 90.8 | Very high | 89.4 | Confident | 149 Ų | 149 | 64.1 Ų | 64.1 | 70% | 0.696 | 34% | 0.342 | S | S | * | . | S | Bend | trans | 48.5 | 36.3 | -174.5 | -57.2 | -167.9 | 143.4 | 0 | 0 | 115.5 | V117 C138 L139 D140 | E115-V117 PolarHBondContact O-N 2.82Å; E115-C138 VanDerWaalsContact C-SG 3.54Å; E115-C138 VanDerWaalsContact CA-SG 3.58Å; E115-L139 PolarHBondContact N-O 2.87Å; E115-D140 PolarHBondContact N-OD1 2.9Å |
| 116 | V | 93.8 | Very high | 88 | Confident | 19 Ų | 19 | 74.6 Ų | 74.6 | 12% | 0.115 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 113.2 | -176.8 | 176.1 | 0 | 0 | 0 | 0 | 110.6 | N109 L113 E114 V118 C138 L139 | N109-V116 HydrophobicContact CB-CG2 4.27Å; L113-V116 HydrophobicContact CB-CG2 4.44Å; L113-V116 HydrophobicContact CD2-CB 4.37Å; L113-V116 HydrophobicContact CD2-CG2 4.12Å; E114-V116 PolarHBondContact O-N 2.99Å; E114-V116 VanDerWaalsContact O-N 3.14Å; V116-V118 HydrophobicContact CG1-CG2 4.07Å; V116-C138 CarbonylContact O-C 3.58Å; V116-C138 WeakPolarHBondContact O-CA 3.42Å; V116-L139 PolarHBondContact N-O 3.01Å; V116-L139 PolarHBondContact O-N 2.95Å |
| 117 | V | 94.6 | Very high | 87.1 | Confident | 92 Ų | 92 | 80.3 Ų | 80.3 | 56% | 0.558 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 126.8 | 176.5 | -178.3 | 0 | 0 | 0 | 0 | 110.8 | I25 E115 I137 C138 | I25-V117 HydrophobicContact CD1-CG1 3.97Å; I25-V117 HydrophobicContact CD1-CG2 4.3Å; E115-V117 PolarHBondContact O-N 2.82Å; V117-I137 CarbonylContact C-O 3.55Å; V117-I137 VanDerWaalsContact CA-O 3.28Å; V117-I137 WeakPolarHBondContact CA-O 3.1Å; V117-C138 HydrophobicContact CG2-CB 4.15Å |
| 118 | V | 94.6 | Very high | 85.9 | Confident | 31 Ų | 31 | 79.6 Ų | 79.6 | 19% | 0.188 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 135.2 | 177.6 | -172.6 | 0 | 0 | 0 | 0 | 109.9 | L100 T105 V116 L120 S136 I137 L139 | L100-V118 HydrophobicContact CD1-CB 4.19Å; L100-V118 HydrophobicContact CD1-CG1 3.92Å; L100-V118 HydrophobicContact CD1-CG2 4.16Å; T105-V118 HydrophobicContact CG2-CG2 4.2Å; V116-V118 HydrophobicContact CG1-CG2 4.07Å; V118-L120 HydrophobicContact CG1-CD2 3.85Å; V118-L120 HydrophobicContact CG1-CG 4.26Å; V118-S136 WeakPolarHBondContact O-CA 3.37Å; V118-I137 HydrophobicContact CB-CD1 4.49Å; V118-I137 HydrophobicContact CB-CG1 4.05Å; V118-I137 PolarHBondContact N-O 3.2Å; V118-I137 WeakPolarHBondContact O-CG1 3.42Å; V118-I137 PolarHBondContact O-N 3.04Å; V118-L139 HydrophobicContact CG2-CD1 4.31Å |
| 119 | T | 95.6 | Very high | 84.6 | Confident | 86 Ų | 86 | 81.2 Ų | 81.2 | 53% | 0.528 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 118.4 | 171.2 | -56 | 0 | 0 | 0 | 0 | 109.3 | D134 L135 S136 | T119-D134 HydrophobicContact CG2-CB 3.97Å; T119-L135 CarbonylContact C-O 3.59Å; T119-L135 WeakPolarHBondContact CA-O 3.28Å; T119-S136 PolarHBondContact OG1-OG 3.48Å |
| 120 | L | 95 | Very high | 84.1 | Confident | 21 Ų | 21 | 82.8 Ų | 82.8 | 11% | 0.11 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 134.3 | -178.2 | -60.8 | 175.3 | 0 | 0 | 0 | 110.1 | F81 A98 L100 V118 D134 L135 I137 | F81-L120 HydrophobicContact CD2-CD1 3.59Å; F81-L120 HydrophobicContact CE2-CD1 3.63Å; F81-L120 HydrophobicContact CG-CD1 4.38Å; F81-L120 HydrophobicContact CZ-CD1 4.45Å; A98-L120 HydrophobicContact CB-CB 3.83Å; A98-L120 HydrophobicContact CB-CD1 4.12Å; L100-L120 HydrophobicContact CB-CD1 4.21Å; L100-L120 HydrophobicContact CB-CD2 4.28Å; L100-L120 HydrophobicContact CD1-CD2 4.22Å; V118-L120 HydrophobicContact CG1-CD2 3.85Å; V118-L120 HydrophobicContact CG1-CG 4.26Å; L120-D134 CarbonylContact O-C 3.44Å; L120-D134 WeakPolarHBondContact O-CA 3.28Å; L120-L135 PolarHBondContact N-O 2.76Å; L120-L135 PolarHBondContact O-N 3.35Å; L120-I137 HydrophobicContact CD1-CD1 3.88Å |
| 121 | Q | 94.4 | Very high | 83.9 | Confident | 130 Ų | 130 | 78.4 Ų | 78.4 | 61% | 0.607 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76 | 132.5 | 169.8 | -67.8 | -169.8 | 29.4 | 0 | 0 | 109.9 | T131 | Q121-T131 HydrophobicContact CB-CG2 4.1Å; Q121-T131 HydrophobicContact CG-CG2 4.33Å; Q121-T131 PolarHBondContact OE1-OG1 2.78Å |
| 122 | L | 92.4 | Very high | 83.9 | Confident | 1 Ų | 1 | 78.2 Ų | 78.2 | 1% | 0.005 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 124.3 | 176 | -63.5 | 169.1 | 0 | 0 | 0 | 109.4 | L29 V83 T97 A98 T131 V132 G133 L135 | L29-L122 HydrophobicContact CD2-CD1 3.66Å; V83-L122 HydrophobicContact CG2-CD1 3.82Å; V83-L122 HydrophobicContact CG2-CD2 3.7Å; V83-L122 HydrophobicContact CG2-CG 4.45Å; T97-L122 CarbonylContact O-C 3.57Å; T97-L122 WeakPolarHBondContact O-CA 3.12Å; A98-L122 HydrophobicContact CB-CD2 3.95Å; L122-T131 CarbonylContact O-C 3.58Å; L122-T131 WeakPolarHBondContact O-CA 3.49Å; L122-V132 HydrophobicContact CB-CG2 3.8Å; L122-V132 VanDerWaalsContact O-CG2 3.31Å; L122-V132 WeakPolarHBondContact O-CG2 3.33Å; L122-V132 PolarHBondContact O-N 2.82Å; L122-G133 WeakPolarHBondContact CB-O 3.01Å; L122-G133 PolarHBondContact N-O 2.85Å; L122-L135 HydrophobicContact CD1-CB 4.27Å; L122-L135 HydrophobicContact CD2-CB 3.97Å; L122-L135 HydrophobicContact CD2-CD2 4.44Å; L122-L135 HydrophobicContact CG-CB 4.11Å |
| 123 | G | 88.8 | Confident | 84.1 | Confident | 14 Ų | 14 | 75.1 Ų | 75.1 | 14% | 0.144 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 146.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112 | G96 T97 | G96-G123 CarbonylContact C-O 3.54Å; G96-G123 VanDerWaalsContact CA-O 3.27Å; G96-G123 WeakPolarHBondContact CA-O 3.43Å; T97-G123 PolarHBondContact N-O 2.54Å; T97-G123 PolarHBondContact O-N 2.93Å |
| 124 | G | 80.6 | Confident | 84.3 | Confident | 11 Ų | 11 | 78 Ų | 78 | 11% | 0.113 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 156.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E130 | G124-E130 PolarHBondContact N-O 3.01Š|
| 125 | D | 67.1 | Low | 84.6 | Confident | 114 Ų | 114 | 72.2 Ų | 72.2 | 61% | 0.61 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -70.7 | -36.5 | -179.1 | -174.9 | 46.9 | 0 | 0 | 0 | 113.2 | L94 | L94-D125 HydrophobicContact CD2-CB 4.15Š|
| 126 | R | 62.5 | Low | 84.8 | Confident | 240 Ų | 240 | 66.3 Ų | 66.3 | 91% | 0.906 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -87.7 | -32.9 | -176.9 | -65.1 | -176.7 | 178 | -178 | -1.1 | 113.9 | ||
| 127 | E | 68.6 | Low | 85 | Confident | 119 Ų | 119 | 65.4 Ų | 65.4 | 56% | 0.556 | 35% | 0.352 | S | S | * | . | trans | -135.6 | 105 | 175.6 | -81.6 | -173.2 | 166.6 | 0 | 0 | 109.2 | T129 E130 | E127-T129 PolarHBondContact O-N 2.78Å; E127-E130 HydrophobicContact CB-CB 4.48Å; E127-E130 PolarHBondContact O-N 2.8Å | ||
| 128 | P | 61.9 | Low | 85 | Confident | 111 Ų | 111 | 61.9 Ų | 61.9 | 72% | 0.721 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -16.3 | -179 | -22.7 | 32.1 | 0 | 0 | 0 | 114.1 | ||
| 129 | T | 61.3 | Low | 85.1 | Confident | 129 Ų | 129 | 60.4 Ų | 60.4 | 79% | 0.791 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -13.1 | 178.5 | 48.7 | 0 | 0 | 0 | 0 | 113.7 | E127 | E127-T129 PolarHBondContact O-N 2.78Š|
| 130 | E | 78.4 | Confident | 84.9 | Confident | 89 Ų | 89 | 58.6 Ų | 58.6 | 42% | 0.416 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -86.2 | 117.2 | 174.8 | -168.4 | -178.8 | -177.3 | 0 | 0 | 110.4 | K30 G124 E127 V132 | K30-E130 IonicContact NZ-OE1 2.99Å; K30-E130 PolarHBondContact NZ-OE1 3.38Å; G124-E130 PolarHBondContact N-O 3.01Å; E127-E130 HydrophobicContact CB-CB 4.48Å; E127-E130 PolarHBondContact O-N 2.8Å; E130-V132 PolarHBondContact O-N 2.82Å |
| 131 | T | 84.1 | Confident | 84.6 | Confident | 63 Ų | 63 | 60 Ų | 60 | 39% | 0.387 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 114.3 | 171 | -49.3 | 0 | 0 | 0 | 0 | 110 | Q121 L122 | Q121-T131 HydrophobicContact CB-CG2 4.1Å; Q121-T131 HydrophobicContact CG-CG2 4.33Å; Q121-T131 PolarHBondContact OE1-OG1 2.78Å; L122-T131 CarbonylContact O-C 3.58Å; L122-T131 WeakPolarHBondContact O-CA 3.49Å |
| 132 | V | 88.5 | Confident | 84.2 | Confident | 28 Ų | 28 | 54.1 Ų | 54.1 | 17% | 0.17 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | -7 | -177.8 | -65.2 | 0 | 0 | 0 | 0 | 113.4 | K30 L95 L122 E130 | K30-V132 WeakPolarHBondContact CB-O 3.47Å; K30-V132 PolarHBondContact N-O 3.29Å; L95-V132 VanDerWaalsContact O-CG2 3.31Å; L95-V132 WeakPolarHBondContact O-CG2 3Å; L122-V132 HydrophobicContact CB-CG2 3.8Å; L122-V132 VanDerWaalsContact O-CG2 3.31Å; L122-V132 WeakPolarHBondContact O-CG2 3.33Å; L122-V132 PolarHBondContact O-N 2.82Å; E130-V132 PolarHBondContact O-N 2.82Å |
| 133 | G | 91.9 | Very high | 83.9 | Confident | 7 Ų | 7 | 60.1 Ų | 60.1 | 7% | 0.072 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.3 | -172.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K28 L122 | K28-G133 CarbonylContact O-C 3.51Å; K28-G133 WeakPolarHBondContact O-CA 3.18Å; L122-G133 WeakPolarHBondContact CB-O 3.01Å; L122-G133 PolarHBondContact N-O 2.85Å |
| 134 | D | 95 | Very high | 83.5 | Confident | 62 Ų | 62 | 60.6 Ų | 60.6 | 33% | 0.332 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 140.3 | 175.7 | -59.6 | -50.8 | 0 | 0 | 0 | 110.7 | A27 K28 T119 L120 | A27-D134 CarbonylContact C-O 3.53Å; A27-D134 WeakPolarHBondContact CA-O 3.39Å; A27-D134 WeakPolarHBondContact CB-O 3.48Å; K28-D134 PolarHBondContact N-O 2.77Å; K28-D134 PolarHBondContact O-N 3.33Å; T119-D134 HydrophobicContact CG2-CB 3.97Å; L120-D134 CarbonylContact O-C 3.44Å; L120-D134 WeakPolarHBondContact O-CA 3.28Å |
| 135 | L | 95.9 | Very high | 83 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 124.1 | 174.9 | 177.5 | 67.2 | 0 | 0 | 0 | 109.8 | V24 A27 V43 W65 F81 T119 L120 L122 I137 | V24-L135 HydrophobicContact CG1-CD1 4.13Å; A27-L135 HydrophobicContact CB-CD1 4.05Å; V43-L135 HydrophobicContact CG1-CD2 4.28Å; V43-L135 HydrophobicContact CG2-CD1 4.04Å; W65-L135 HydrophobicContact CZ3-CD1 4.29Å; F81-L135 HydrophobicContact CB-CD2 3.67Å; F81-L135 HydrophobicContact CD1-CD2 3.79Å; F81-L135 HydrophobicContact CG-CD2 3.8Å; T119-L135 CarbonylContact C-O 3.59Å; T119-L135 WeakPolarHBondContact CA-O 3.28Å; L120-L135 PolarHBondContact N-O 2.76Å; L120-L135 PolarHBondContact O-N 3.35Å; L122-L135 HydrophobicContact CD1-CB 4.27Å; L122-L135 HydrophobicContact CD2-CB 3.97Å; L122-L135 HydrophobicContact CD2-CD2 4.44Å; L122-L135 HydrophobicContact CG-CB 4.11Å; L135-I137 HydrophobicContact CD2-CG2 4.25Å; L135-I137 HydrophobicContact CG-CG2 4.09Å |
| 136 | S | 96.6 | Very high | 82.2 | Confident | 26 Ų | 26 | 67.5 Ų | 67.5 | 18% | 0.182 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 128.1 | 176.2 | -60 | 0 | 0 | 0 | 0 | 111.1 | I25 S26 V118 T119 | I25-S136 WeakPolarHBondContact CB-O 3.45Å; I25-S136 PolarHBondContact N-O 2.79Å; S26-S136 PolarHBondContact N-O 2.87Å; S26-S136 PolarHBondContact O-N 2.88Å; V118-S136 WeakPolarHBondContact O-CA 3.37Å; T119-S136 PolarHBondContact OG1-OG 3.48Å |
| 137 | I | 96.4 | Very high | 81.3 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 156.8 | -179.7 | 62.2 | 176.2 | 0 | 0 | 0 | 110.2 | I22 T23 F81 L100 V117 V118 L120 L135 L139 | I22-I137 HydrophobicContact CG2-CB 4.44Å; T23-I137 CarbonylContact O-C 3.55Å; T23-I137 WeakPolarHBondContact O-CA 3.47Å; F81-I137 HydrophobicContact CE1-CD1 4.08Å; F81-I137 HydrophobicContact CE1-CG2 4Å; F81-I137 HydrophobicContact CE2-CD1 3.88Å; F81-I137 HydrophobicContact CZ-CD1 3.42Å; F81-I137 VanDerWaalsContact CZ-CD1 3.42Å; F81-I137 HydrophobicContact CZ-CG2 4.41Å; L100-I137 HydrophobicContact CD1-CD1 3.99Å; V117-I137 CarbonylContact C-O 3.55Å; V117-I137 VanDerWaalsContact CA-O 3.28Å; V117-I137 WeakPolarHBondContact CA-O 3.1Å; V118-I137 HydrophobicContact CB-CD1 4.49Å; V118-I137 HydrophobicContact CB-CG1 4.05Å; V118-I137 PolarHBondContact N-O 3.2Å; V118-I137 WeakPolarHBondContact O-CG1 3.42Å; V118-I137 PolarHBondContact O-N 3.04Å; L120-I137 HydrophobicContact CD1-CD1 3.88Å; L135-I137 HydrophobicContact CD2-CG2 4.25Å; L135-I137 HydrophobicContact CG-CG2 4.09Å; I137-L139 HydrophobicContact CD1-CD2 4.08Å; I137-L139 HydrophobicContact CD1-CG 4.46Å |
| 138 | C | 95.7 | Very high | 79.8 | Confident | 18 Ų | 18 | 64.6 Ų | 64.6 | 12% | 0.122 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 131.1 | 169.3 | 173.5 | 0 | 0 | 0 | 0 | 109.4 | I22 T23 I25 E115 V116 V117 | I22-C138 CarbonylContact C-O 3.57Å; I22-C138 WeakPolarHBondContact CA-O 3.37Å; T23-C138 PolarHBondContact N-O 2.84Å; T23-C138 PolarHBondContact O-N 2.9Å; I25-C138 HydrophobicContact CD1-CB 3.96Å; I25-C138 HydrophobicContact CG1-CB 4.35Å; E115-C138 VanDerWaalsContact C-SG 3.54Å; E115-C138 VanDerWaalsContact CA-SG 3.58Å; V116-C138 CarbonylContact O-C 3.58Å; V116-C138 WeakPolarHBondContact O-CA 3.42Å; V117-C138 HydrophobicContact CG2-CB 4.15Å |
| 139 | L | 95.4 | Very high | 78.6 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 127.3 | -178.2 | -58.8 | -178.5 | 0 | 0 | 0 | 109.7 | L20 Q21 I22 L79 L100 T105 L113 E115 V116 V118 I137 | L20-L139 HydrophobicContact CD1-CB 4.34Å; L20-L139 HydrophobicContact CD2-CD2 4.26Å; Q21-L139 WeakPolarHBondContact O-CA 3.38Å; I22-L139 HydrophobicContact CB-CD2 4.32Å; I22-L139 HydrophobicContact CG1-CD2 3.84Å; I22-L139 HydrophobicContact CG2-CD2 4.08Å; L79-L139 HydrophobicContact CD1-CD2 4.14Å; L100-L139 HydrophobicContact CD1-CD1 3.91Å; L100-L139 HydrophobicContact CD2-CD1 4.12Å; T105-L139 HydrophobicContact CG2-CD1 4.11Å; L113-L139 HydrophobicContact CB-CB 4.49Å; L113-L139 HydrophobicContact CD1-CB 4.33Å; L113-L139 HydrophobicContact CD1-CD1 4.18Å; E115-L139 PolarHBondContact N-O 2.87Å; V116-L139 PolarHBondContact N-O 3.01Å; V116-L139 PolarHBondContact O-N 2.95Å; V118-L139 HydrophobicContact CG2-CD1 4.31Å; I137-L139 HydrophobicContact CD1-CD2 4.08Å; I137-L139 HydrophobicContact CD1-CG 4.46Å |
| 140 | D | 93.1 | Very high | 77.3 | Confident | 48 Ų | 48 | 65.2 Ų | 65.2 | 26% | 0.257 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 144 | -177.7 | -174 | 39.3 | 0 | 0 | 0 | 112.3 | L20 Q21 E114 E115 | L20-D140 WeakPolarHBondContact CD1-O 3.36Å; Q21-D140 HydrophobicContact CB-CB 4.47Å; Q21-D140 PolarHBondContact N-O 2.86Å; Q21-D140 PolarHBondContact O-N 2.94Å; E114-D140 WeakPolarHBondContact CA-OD1 3.42Å; E115-D140 PolarHBondContact N-OD1 2.9Å |
| 141 | G | 87.3 | Confident | 75.1 | Confident | 51 Ų | 51 | 68.9 Ų | 68.9 | 53% | 0.526 | 40% | 0.395 | S | S | . | . | S | Bend | trans | 99.4 | 19.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | Q19 L113 | Q19-G141 VanDerWaalsContact O-O 3.08Å; L113-G141 PolarHBondContact O-N 3.32Å |
| 142 | L | 86.8 | Confident | 72.6 | Confident | 6 Ų | 6 | 69.6 Ų | 69.6 | 3% | 0.031 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 126.9 | 179.4 | -169.5 | 67.9 | 0 | 0 | 0 | 112.7 | L20 V73 I102 L106 K112 L113 | L20-L142 HydrophobicContact CD1-CB 3.91Å; V73-L142 HydrophobicContact CG2-CD2 4.28Å; I102-L142 HydrophobicContact CG2-CD2 3.48Å; I102-L142 VanDerWaalsContact CG2-CD2 3.48Å; L106-L142 HydrophobicContact CD1-CD2 3.83Å; L106-L142 HydrophobicContact CD1-CG 4.44Å; L106-L142 HydrophobicContact CD2-CD2 4.22Å; L106-L142 HydrophobicContact CD2-CG 4.24Å; L106-L142 HydrophobicContact CG-CD2 4.24Å; K112-L142 CarbonylContact C-O 3.31Å; L113-L142 HydrophobicContact CB-CB 4.22Å; L113-L142 HydrophobicContact CD1-CB 4.25Å; L113-L142 HydrophobicContact CD1-CD2 4.07Å; L113-L142 HydrophobicContact CG-CB 4.43Å; L113-L142 PolarHBondContact N-O 3.2Å; L113-L142 PolarHBondContact O-N 3.04Å |
| 143 | Q | 85.8 | Confident | 69.9 | Low | 127 Ų | 127 | 77.3 Ų | 77.3 | 59% | 0.593 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 140.7 | 176.9 | -174.5 | 174.2 | -7.2 | 0 | 0 | 111.1 | M111 K112 | M111-Q143 CarbonylContact O-C 3.58Å; M111-Q143 WeakPolarHBondContact O-CA 3.4Å; K112-Q143 HydrophobicContact CB-CG 4.17Å; K112-Q143 HydrophobicContact CD-CG 4.46Å; K112-Q143 HydrophobicContact CG-CB 4.1Å; K112-Q143 HydrophobicContact CG-CG 3.95Å |
| 144 | L | 80.8 | Confident | 66.8 | Low | 24 Ų | 24 | 83.3 Ų | 83.3 | 13% | 0.126 | 48% | 0.484 | C | S | . | . | trans | -116.4 | 125.6 | 173.8 | -135.5 | 130.6 | 0 | 0 | 0 | 109.2 | S13 L14 P75 L106 M111 | S13-L144 WeakPolarHBondContact OG-CD2 3.36Å; S13-L144 WeakPolarHBondContact OG-CG 3.47Å; L14-L144 HydrophobicContact CD2-CD1 4.48Å; P75-L144 HydrophobicContact CB-CD1 3.38Å; P75-L144 HydrophobicContact CG-CD1 3.29Å; L106-L144 HydrophobicContact CD1-CD1 4.36Å; M111-L144 HydrophobicContact CB-CB 4.04Å; M111-L144 WeakPolarHBondContact CB-O 3.41Å; M111-L144 HydrophobicContact CE-CB 3.69Å; M111-L144 HydrophobicContact CE-CD1 4.07Å; M111-L144 HydrophobicContact CE-CD2 3.77Å; M111-L144 HydrophobicContact CE-CG 4.06Å; M111-L144 PolarHBondContact O-N 3.2Å | ||
| 145 | E | 69.3 | Low | 63.5 | Low | 165 Ų | 165 | 86.5 Ų | 86.5 | 77% | 0.771 | 51% | 0.506 | S | S | * | . | trans | -72.7 | 128 | 175.9 | -71.1 | -178.3 | 167.7 | 0 | 0 | 110.2 | E147 | E145-E147 PolarHBondContact O-N 2.79Š| ||
| 146 | S | 51.1 | Low | 60.3 | Low | 105 Ų | 105 | 92.3 Ų | 92.3 | 73% | 0.734 | 55% | 0.545 | S | S | * | . | trans | -87.9 | 93.4 | 179.4 | -167.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 147 | E | 44.1 | Very low | 56.9 | Low | 177 Ų | 177 | 96.9 Ų | 96.9 | 83% | 0.827 | 58% | 0.578 | S | S | * | * | trans | -105.3 | 105.2 | 162.7 | -73.6 | -162.2 | 161.2 | 0 | 0 | 110.6 | E145 | E145-E147 PolarHBondContact O-N 2.79Š| ||
| 148 | V | 36.4 | Very low | 53.7 | Low | 120 Ų | 120 | 105.6 Ų | 105.6 | 73% | 0.727 | 62% | 0.618 | S | S | * | * | trans | 68.2 | 88.9 | 158.3 | -160.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 149 | V | 36.4 | Very low | 50.3 | Low | 143 Ų | 143 | 110.2 Ų | 110.2 | 87% | 0.867 | 65% | 0.651 | S | S | * | * | trans | -126.3 | 78.3 | 148.1 | -170.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 150 | T | 33.5 | Very low | 47 | Very low | 110 Ų | 110 | 114.7 Ų | 114.7 | 68% | 0.675 | 69% | 0.688 | S | S | * | * | trans | -145.9 | 139.9 | 155.8 | 43.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 151 | N | 33.7 | Very low | 43.9 | Very low | 166 Ų | 166 | 116.9 Ų | 116.9 | 89% | 0.888 | 71% | 0.707 | S | S | * | * | trans | 89.6 | 121 | 175.1 | -55.1 | -13 | 0 | 0 | 0 | 116.2 | ||||
| 152 | G | 30.2 | Very low | 41.1 | Very low | 79 Ų | 79 | 122.8 Ų | 122.8 | 81% | 0.814 | 72% | 0.721 | S | S | * | * | cis | -164.5 | 162.5 | 9.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 153 | E | 32.9 | Very low | 38.3 | Very low | 190 Ų | 190 | 129.3 Ų | 129.3 | 89% | 0.888 | 76% | 0.756 | S | S | * | * | trans | -72.9 | 145.7 | 176.1 | -64.9 | 171.8 | 131.9 | 0 | 0 | 112.3 | ||||
| 154 | T | 26.6 | Very low | 35.7 | Very low | 132 Ų | 132 | 130.3 Ų | 130.3 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | -156.2 | 106.5 | 135.6 | -18.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 155 | T | 25.9 | Very low | 33.3 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | 52.4 | 125.5 | 139.4 | 58.2 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 156 | C | 28 | Very low | 31.4 | Very low | 122 Ų | 122 | 131 Ų | 131 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | -25.7 | 145.3 | 153.9 | -51.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 157 | S | 25.3 | Very low | 30.3 | Very low | 123 Ų | 123 | 131 Ų | 131 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | -169 | 153.5 | 119.8 | 17.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 158 | E | 28.7 | Very low | 29.6 | Very low | 183 Ų | 183 | 134 Ų | 134 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -66.2 | 156.1 | -167.3 | -59.2 | 156.6 | 128.4 | 0 | 0 | 115.5 | ||||
| 159 | S | 24.9 | Very low | 29.2 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | 166.7 | 138 | 106.1 | 46.3 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 160 | A | 26.4 | Very low | 28.8 | Very low | 94 Ų | 94 | 134 Ų | 134 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | trans | 32.1 | 143.3 | 138 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 161 | S | 27.2 | Very low | 28.5 | Very low | 94 Ų | 94 | 133.9 Ų | 133.9 | 66% | 0.657 | 78% | 0.776 | S | S | * | * | cis | 167.6 | 134.5 | 23.6 | 34.2 | 0 | 0 | 0 | 0 | 102.7 | ||||
| 162 | Q | 29.2 | Very low | 28.4 | Very low | 174 Ų | 174 | 133.9 Ų | 133.9 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | 118.9 | 127 | 99.5 | -102.7 | 175.6 | -7.5 | 0 | 0 | 109.5 | |||||
| 163 | N | 28.8 | Very low | 28.3 | Very low | 143 Ų | 143 | 136.3 Ų | 136.3 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | trans | 34.7 | 147.4 | 140.8 | -62.6 | -2.6 | 0 | 0 | 0 | 123.7 | ||||
| 164 | D | 30.4 | Very low | 28.2 | Very low | 149 Ų | 149 | 138.2 Ų | 138.2 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | 107.9 | 141.6 | 143 | -85.8 | 9.7 | 0 | 0 | 0 | 115 | ||||
| 165 | D | 30.5 | Very low | 28.3 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | cis | -175.8 | 166.4 | -16.4 | -169.2 | 10.2 | 0 | 0 | 0 | 104.9 | ||||
| 166 | G | 28.6 | Very low | 28.5 | Very low | 53 Ų | 53 | 139 Ų | 139 | 55% | 0.546 | 77% | 0.77 | S | S | . | * | trans | 89.4 | 91.7 | 152.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 167 | S | 29.3 | Very low | 28.7 | Very low | 106 Ų | 106 | 139 Ų | 139 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | 74.9 | 117.8 | 70.1 | 83.1 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 168 | R | 28.5 | Very low | 29 | Very low | 241 Ų | 241 | 140.8 Ų | 140.8 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | 56 | 149.8 | 128.3 | -74.3 | -178.2 | 171.4 | 169.9 | -2.2 | 118.4 | |||||
| 169 | S | 27.8 | Very low | 28.9 | Very low | 91 Ų | 91 | 136 Ų | 136 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | cis | 175.2 | 158.2 | -1.7 | 46.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 170 | K | 28.5 | Very low | 29.2 | Very low | 172 Ų | 172 | 135.3 Ų | 135.3 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | 88.6 | 132.6 | 136.6 | -92.2 | 177.2 | 155.1 | -112.5 | 0 | 123.5 | ||||
| 171 | D | 26.9 | Very low | 29.5 | Very low | 106 Ų | 106 | 138 Ų | 138 | 57% | 0.567 | 76% | 0.763 | S | S | * | * | trans | 86.4 | 119.7 | 131.5 | -70.7 | -16.8 | 0 | 0 | 0 | 122.4 | ||||
| 172 | E | 31.9 | Very low | 29.8 | Very low | 167 Ų | 167 | 141.1 Ų | 141.1 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | trans | 47.4 | 138.3 | 133 | -56.9 | -168.4 | 129.9 | 0 | 0 | 118.5 | ||||
| 173 | T | 27.3 | Very low | 30.9 | Very low | 130 Ų | 130 | 138.2 Ų | 138.2 | 80% | 0.798 | 77% | 0.768 | S | S | * | * | -177.6 | 156.9 | 70.1 | -44.3 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 174 | R | 32.4 | Very low | 31.3 | Very low | 229 Ų | 229 | 140.6 Ų | 140.6 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | -45 | 160.2 | 174.3 | -62 | 166.2 | 160.6 | 159.5 | -5.5 | 117 | ||||
| 175 | L | 28.7 | Very low | 31.2 | Very low | 175 Ų | 175 | 141.4 Ų | 141.4 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | -171.5 | 133.8 | 120.1 | -96.3 | 162 | 0 | 0 | 0 | 111.9 | |||||
| 176 | S | 29.7 | Very low | 31.5 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | trans | -91.5 | 156.3 | 168.8 | -51.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 177 | T | 30.7 | Very low | 31.5 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | 168.5 | 138.4 | 113.4 | 33.5 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 178 | N | 31.6 | Very low | 31.7 | Very low | 159 Ų | 159 | 140.8 Ų | 140.8 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | 74.1 | 136.7 | 135.6 | -65.4 | -0.3 | 0 | 0 | 0 | 123.7 | ||||
| 179 | G | 27.8 | Very low | 31.8 | Very low | 82 Ų | 82 | 133.1 Ų | 133.1 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | 145.7 | 106.6 | 132.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 180 | S | 31.8 | Very low | 32.2 | Very low | 101 Ų | 101 | 137 Ų | 137 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | trans | -88.8 | 166.2 | 177.5 | 51.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 181 | D | 31.9 | Very low | 32.3 | Very low | 151 Ų | 151 | 135.4 Ų | 135.4 | 81% | 0.807 | 81% | 0.808 | S | S | * | * | 148.8 | 128.7 | 127.7 | -73.6 | -12 | 0 | 0 | 0 | 114.2 | |||||
| 182 | D | 33.8 | Very low | 32.5 | Very low | 159 Ų | 159 | 142.1 Ų | 142.1 | 85% | 0.85 | 83% | 0.825 | S | S | * | * | trans | -80.1 | -176 | 158.7 | -94 | -44.6 | 0 | 0 | 0 | 110 | ||||
| 183 | P | 52.1 | Low | 32.6 | Very low | 113 Ų | 113 | 145.5 Ų | 145.5 | 73% | 0.734 | 83% | 0.831 | S | S | * | * | cis | -148.3 | -179.8 | 20.1 | 33.5 | -6.9 | 0 | 0 | 0 | 119.2 | ||||
| 184 | E | 37.2 | Very low | 32.9 | Very low | 193 Ų | 193 | 146.1 Ų | 146.1 | 90% | 0.902 | 83% | 0.834 | S | S | * | * | trans | 19.7 | 142.8 | 151.8 | -62.6 | -168.1 | 152.3 | 0 | 0 | 126 | ||||
| 185 | D | 29 | Very low | 32.8 | Very low | 167 Ų | 167 | 141 Ų | 141 | 89% | 0.893 | 83% | 0.834 | S | S | * | * | -165.7 | 162.2 | 128.7 | -159.4 | 14.6 | 0 | 0 | 0 | 113.7 | |||||
| 186 | A | 35.3 | Very low | 32.8 | Very low | 94 Ų | 94 | 136.5 Ų | 136.5 | 78% | 0.777 | 83% | 0.829 | S | S | * | * | trans | -106.7 | 178.7 | -163.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 187 | G | 29.4 | Very low | 33 | Very low | 85 Ų | 85 | 139 Ų | 139 | 88% | 0.876 | 83% | 0.834 | S | S | * | * | trans | 164.8 | 137 | 160.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 188 | A | 34 | Very low | 32.9 | Very low | 116 Ų | 116 | 140.8 Ų | 140.8 | 96% | 0.959 | 84% | 0.839 | S | S | * | * | trans | -113.3 | 177.3 | -158.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 189 | G | 29.2 | Very low | 33 | Very low | 79 Ų | 79 | 138.3 Ų | 138.3 | 81% | 0.814 | 83% | 0.834 | S | S | * | * | trans | 169.2 | 97.3 | 160.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 190 | E | 36.2 | Very low | 33.7 | Very low | 174 Ų | 174 | 140.6 Ų | 140.6 | 81% | 0.813 | 83% | 0.834 | S | S | * | * | trans | 17.3 | 142.3 | 150.3 | -73.8 | -172.1 | 120.1 | 0 | 0 | 130.7 | ||||
| 191 | N | 32.5 | Very low | 33.6 | Very low | 137 Ų | 137 | 140.5 Ų | 140.5 | 73% | 0.733 | 83% | 0.833 | S | S | * | * | trans | 66.3 | 123.1 | 131.9 | -68.7 | -26.9 | 0 | 0 | 0 | 125.9 | ||||
| 192 | R | 30.3 | Very low | 33.6 | Very low | 247 Ų | 247 | 141.4 Ų | 141.4 | 93% | 0.932 | 84% | 0.838 | S | S | * | * | -174.9 | 137.8 | 111.5 | -143.9 | 169.7 | -176.6 | 170.3 | 1 | 114.5 | |||||
| 193 | R | 34.6 | Very low | 33.5 | Very low | 239 Ų | 239 | 139.9 Ų | 139.9 | 90% | 0.902 | 84% | 0.839 | S | S | * | * | trans | -98.4 | 153.9 | 168.2 | -69.2 | 179.8 | 176 | -175.4 | -1.3 | 111.6 | ||||
| 194 | V | 32.1 | Very low | 32.5 | Very low | 142 Ų | 142 | 142.7 Ų | 142.7 | 86% | 0.861 | 85% | 0.848 | S | S | * | * | trans | -160.9 | 136.5 | 140 | 169 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 195 | S | 32 | Very low | 32.2 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 86% | 0.86 | 84% | 0.843 | S | S | * | * | trans | -88.5 | 158.2 | 168.9 | -63.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 196 | G | 27.8 | Very low | 32.3 | Very low | 79 Ų | 79 | 132.4 Ų | 132.4 | 81% | 0.814 | 83% | 0.833 | S | S | * | * | trans | -172 | 115.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 197 | N | 33.3 | Very low | 32.2 | Very low | 156 Ų | 156 | 138 Ų | 138 | 83% | 0.834 | 84% | 0.84 | S | S | * | * | trans | -61.5 | 153.4 | 168.3 | -79.3 | -9.2 | 0 | 0 | 0 | 112.8 | ||||
| 198 | N | 29.6 | Very low | 32.7 | Very low | 160 Ų | 160 | 143.7 Ų | 143.7 | 86% | 0.856 | 84% | 0.841 | S | S | * | * | 176.9 | 130.9 | 120.3 | -89.1 | -14.6 | 0 | 0 | 0 | 113.1 | |||||
| 199 | S | 33.5 | Very low | 32.8 | Very low | 107 Ų | 107 | 144.3 Ų | 144.3 | 75% | 0.748 | 84% | 0.835 | S | S | * | * | trans | -68.7 | 168.7 | 157.5 | -51 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 200 | P | 41.5 | Very low | 33 | Very low | 131 Ų | 131 | 146 Ų | 146 | 85% | 0.851 | 84% | 0.835 | S | S | * | * | -143.8 | 165.8 | 99.8 | 36.2 | -20.2 | 0 | 0 | 0 | 115.2 | |||||
| 201 | S | 30 | Very low | 33.1 | Very low | 98 Ų | 98 | 149.1 Ų | 149.1 | 69% | 0.685 | 84% | 0.839 | S | S | * | * | trans | -105.5 | 153.2 | -176.9 | -31.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 202 | L | 31.9 | Very low | 33.8 | Very low | 171 Ų | 171 | 147.8 Ų | 147.8 | 90% | 0.895 | 84% | 0.838 | S | S | * | * | trans | 72.1 | 121.4 | 146.3 | -63.9 | 164.5 | 0 | 0 | 0 | 121.3 | ||||
| 203 | S | 31.6 | Very low | 34.2 | Very low | 127 Ų | 127 | 142 Ų | 142 | 89% | 0.888 | 83% | 0.833 | S | S | * | * | -148.8 | 148.2 | 128.6 | 50.1 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 204 | N | 32.7 | Very low | 34.4 | Very low | 172 Ų | 172 | 142 Ų | 142 | 92% | 0.92 | 83% | 0.832 | S | S | * | * | trans | -94.8 | 149.2 | -162.1 | -153.2 | 26.6 | 0 | 0 | 0 | 110.7 | ||||
| 205 | G | 30.1 | Very low | 34.7 | Very low | 76 Ų | 76 | 141 Ų | 141 | 78% | 0.784 | 83% | 0.828 | S | S | * | * | trans | -176.8 | 93.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 206 | G | 31.6 | Very low | 35 | Very low | 67 Ų | 67 | 140.7 Ų | 140.7 | 69% | 0.691 | 83% | 0.826 | S | S | * | * | trans | -85.2 | 144.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 207 | F | 32.1 | Very low | 35.5 | Very low | 212 Ų | 212 | 147.2 Ų | 147.2 | 93% | 0.93 | 83% | 0.827 | S | S | * | * | trans | -151 | 123.3 | 153 | -86.4 | -77.8 | 0 | 0 | 0 | 109.4 | ||||
| 208 | K | 40.3 | Very low | 36.1 | Very low | 205 Ų | 205 | 144.9 Ų | 144.9 | 89% | 0.891 | 82% | 0.82 | S | S | * | * | trans | -73.2 | 150.8 | 164.4 | -74.9 | 177.3 | 175.5 | 175 | 0 | 109.4 | ||||
| 209 | P | 36.7 | Very low | 36.9 | Very low | 128 Ų | 128 | 142.9 Ų | 142.9 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | trans | -126.3 | 159.7 | 137.2 | 17.2 | 2.8 | 0 | 0 | 0 | 113.8 | ||||
| 210 | S | 32.6 | Very low | 37.4 | Very low | 116 Ų | 116 | 142.5 Ų | 142.5 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 150.2 | -162.4 | 41.4 | 0 | 0 | 0 | 0 | 116.6 | ||
| 211 | R | 39 | Very low | 37.1 | Very low | 238 Ų | 238 | 142.2 Ų | 142.2 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 136.8 | 169.4 | -173.5 | -175.3 | -167 | -173.4 | 6.8 | 112.8 | ||
| 212 | P | 46.1 | Very low | 37.5 | Very low | 110 Ų | 110 | 143.9 Ų | 143.9 | 71% | 0.714 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 159.1 | 166.5 | 32.3 | -30.2 | 0 | 0 | 0 | 112.5 | ||
| 213 | P | 38.7 | Very low | 37.7 | Very low | 126 Ų | 126 | 141.8 Ų | 141.8 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 156 | -164.1 | 32.2 | -31 | 0 | 0 | 0 | 114.3 | ||
| 214 | R | 38.7 | Very low | 37.7 | Very low | 238 Ų | 238 | 147.7 Ų | 147.7 | 90% | 0.898 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 132.2 | 179 | -173.6 | -173.5 | -151.5 | -174.6 | 6.4 | 111.4 | ||
| 215 | P | 38.2 | Very low | 37.8 | Very low | 120 Ų | 120 | 150.1 Ų | 150.1 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 139.2 | 165 | -11.8 | 27.7 | 0 | 0 | 0 | 111.9 | ||
| 216 | S | 38.7 | Very low | 38 | Very low | 117 Ų | 117 | 152.1 Ų | 152.1 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 138.1 | 176.7 | 43.5 | 0 | 0 | 0 | 0 | 113.1 | ||
| 217 | R | 38.3 | Very low | 38 | Very low | 217 Ų | 217 | 153.2 Ų | 153.2 | 82% | 0.819 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 134.9 | 176.5 | 175.5 | -177.7 | -121.2 | -121.9 | 2.7 | 112.1 | ||
| 218 | P | 46.2 | Very low | 37.9 | Very low | 107 Ų | 107 | 148.2 Ų | 148.2 | 70% | 0.695 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 150.7 | 160.5 | 7.9 | 7.7 | 0 | 0 | 0 | 111.5 | ||
| 219 | P | 46.9 | Very low | 37.6 | Very low | 118 Ų | 118 | 145.3 Ų | 145.3 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 154.7 | -176.9 | 29.4 | -34.1 | 0 | 0 | 0 | 113 | ||
| 220 | P | 42.8 | Very low | 37.3 | Very low | 98 Ų | 98 | 147 Ų | 147 | 64% | 0.636 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 147.1 | 179.7 | 31.6 | -33 | 0 | 0 | 0 | 112.4 | ||
| 221 | P | 35.3 | Very low | 37.1 | Very low | 126 Ų | 126 | 145.1 Ų | 145.1 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 134.8 | 168 | 29.9 | -30.4 | 0 | 0 | 0 | 110.5 | ||
| 222 | T | 38.4 | Very low | 36.5 | Very low | 132 Ų | 132 | 139.5 Ų | 139.5 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 152.3 | 175.4 | 41.2 | 0 | 0 | 0 | 0 | 112.1 | ||
| 223 | P | 36.5 | Very low | 37 | Very low | 128 Ų | 128 | 139.8 Ų | 139.8 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 132 | -174.5 | 18 | -3.6 | 0 | 0 | 0 | 112.3 | ||
| 224 | R | 32.7 | Very low | 36.5 | Very low | 250 Ų | 250 | 139.8 Ų | 139.8 | 94% | 0.943 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 120.4 | 162.7 | -80.8 | -172.3 | 178.4 | -152.2 | 0.6 | 110 | ||
| 225 | R | 33.8 | Very low | 35.9 | Very low | 223 Ų | 223 | 132 Ų | 132 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 138.3 | 172.6 | -177.5 | -174.9 | -166 | -166.7 | 5.5 | 111.5 | ||
| 226 | P | 35.3 | Very low | 35.4 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 131.1 | 154.4 | -5.4 | 23.8 | 0 | 0 | 0 | 110.1 | ||
| 227 | A | 31 | Very low | 35 | Very low | 91 Ų | 91 | 131.4 Ų | 131.4 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 141.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 228 | S | 30.3 | Very low | 34.5 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 140.3 | 169.5 | -14.2 | 0 | 0 | 0 | 0 | 111.4 | ||
| 229 | V | 33.5 | Very low | 33.7 | Very low | 145 Ų | 145 | 129.2 Ų | 129.2 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | trans | -143.6 | 132.5 | 148.3 | -167.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 230 | N | 30 | Very low | 32.8 | Very low | 162 Ų | 162 | 131 Ų | 131 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | trans | -56.7 | 158.5 | 178.4 | -68.4 | -21.7 | 0 | 0 | 0 | 115.2 | ||||
| 231 | G | 28 | Very low | 32.1 | Very low | 78 Ų | 78 | 129.3 Ų | 129.3 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 155 | 92.6 | 147.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 232 | S | 27.4 | Very low | 31.9 | Very low | 120 Ų | 120 | 128.8 Ų | 128.8 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | trans | -90.5 | -178.6 | 153.6 | -54.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 233 | P | 55.7 | Low | 31.5 | Very low | 116 Ų | 116 | 126.7 Ų | 126.7 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | -126.3 | 170.7 | -77.6 | 36.8 | -20.4 | 0 | 0 | 0 | 110.7 | |||||
| 234 | S | 28.3 | Very low | 31.1 | Very low | 125 Ų | 125 | 127.5 Ų | 127.5 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | 156.7 | 151.1 | 159.2 | -76.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 235 | A | 27.7 | Very low | 30.9 | Very low | 75 Ų | 75 | 118.9 Ų | 118.9 | 62% | 0.62 | 77% | 0.773 | S | S | * | * | cis | -178 | 163.9 | -14.8 | 0 | 0 | 0 | 0 | 0 | 103.7 | ||||
| 236 | T | 26.7 | Very low | 30.5 | Very low | 130 Ų | 130 | 113.6 Ų | 113.6 | 80% | 0.798 | 77% | 0.77 | S | S | * | * | trans | 76.6 | 137.6 | 150.1 | 56.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 237 | S | 29.5 | Very low | 30.3 | Very low | 94 Ų | 94 | 116 Ų | 116 | 66% | 0.657 | 78% | 0.776 | S | S | * | * | trans | 74.7 | 109.7 | 147.5 | 42.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 238 | E | 27.8 | Very low | 31.1 | Very low | 177 Ų | 177 | 116.7 Ų | 116.7 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | 75.8 | 110.1 | 77.9 | -75.6 | -174.4 | 165.2 | 0 | 0 | 110.9 | |||||
| 239 | S | 30.7 | Very low | 31.2 | Very low | 101 Ų | 101 | 117.7 Ų | 117.7 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | 90.3 | 147.6 | 113.5 | 77.7 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 240 | D | 28.3 | Very low | 30.9 | Very low | 155 Ų | 155 | 117 Ų | 117 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | cis | -169.7 | 165.4 | 20.4 | -123.1 | -29.2 | 0 | 0 | 0 | 108.3 | ||||
| 241 | G | 28 | Very low | 30.8 | Very low | 63 Ų | 63 | 116.7 Ų | 116.7 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | trans | 85.8 | 106.6 | 146.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 242 | S | 29.6 | Very low | 30.7 | Very low | 115 Ų | 115 | 119.7 Ų | 119.7 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | 71.9 | 131.9 | 81.1 | -166.4 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 243 | S | 31.1 | Very low | 30.7 | Very low | 88 Ų | 88 | 121.5 Ų | 121.5 | 62% | 0.615 | 77% | 0.774 | S | S | * | * | cis | -174.8 | 150.9 | 32.1 | -3.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 244 | T | 28.5 | Very low | 29.2 | Very low | 146 Ų | 146 | 122.6 Ų | 122.6 | 90% | 0.896 | 78% | 0.778 | S | S | * | * | trans | 65.5 | 130 | 137.5 | 61.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 245 | G | 27 | Very low | 29.2 | Very low | 69 Ų | 69 | 124.2 Ų | 124.2 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | 153 | 80.5 | 138.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 246 | S | 26.9 | Very low | 29 | Very low | 111 Ų | 111 | 127.5 Ų | 127.5 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | 75.5 | 102.4 | 134 | -50.3 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 247 | L | 31.3 | Very low | 29.1 | Very low | 170 Ų | 170 | 126.6 Ų | 126.6 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | 65.6 | 156.8 | 118.6 | -72.3 | 174.9 | 0 | 0 | 0 | 122.3 | |||||
| 248 | P | 46.4 | Very low | 28.9 | Very low | 104 Ų | 104 | 131.7 Ų | 131.7 | 68% | 0.675 | 80% | 0.802 | S | S | * | * | trans | -104.6 | -173.8 | -138.7 | 42.4 | -36.4 | 0 | 0 | 0 | 113.8 | ||||
| 249 | P | 33.8 | Very low | 28.8 | Very low | 128 Ų | 128 | 127.1 Ų | 127.1 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | -147.2 | 173.4 | 112.7 | 34.5 | -15.3 | 0 | 0 | 0 | 116.8 | |||||
| 250 | T | 26.1 | Very low | 28.6 | Very low | 130 Ų | 130 | 127 Ų | 127 | 80% | 0.798 | 81% | 0.808 | S | S | * | * | trans | -80.8 | 160.3 | -168.4 | -4.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 251 | N | 28.4 | Very low | 28.6 | Very low | 155 Ų | 155 | 126.1 Ų | 126.1 | 83% | 0.829 | 81% | 0.808 | S | S | * | * | trans | -15 | 138.2 | 160.6 | -77.4 | -8.9 | 0 | 0 | 0 | 119 | ||||
| 252 | T | 24.9 | Very low | 28.6 | Very low | 141 Ų | 141 | 129.1 Ų | 129.1 | 87% | 0.865 | 82% | 0.819 | S | S | * | * | trans | -151.3 | 129 | 139.1 | -6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 253 | N | 27.2 | Very low | 28.3 | Very low | 159 Ų | 159 | 127.1 Ų | 127.1 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | trans | -68.3 | 136.1 | 168.7 | -83.7 | -21.8 | 0 | 0 | 0 | 110.6 | ||||
| 254 | T | 25.6 | Very low | 28.1 | Very low | 138 Ų | 138 | 131.6 Ų | 131.6 | 85% | 0.847 | 83% | 0.833 | S | S | * | * | trans | -156.5 | 127.7 | 144.3 | 37.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 255 | N | 27.1 | Very low | 28 | Very low | 160 Ų | 160 | 132.4 Ų | 132.4 | 86% | 0.856 | 83% | 0.83 | S | S | * | * | trans | -54.3 | 138.8 | 166.8 | -71.6 | -28.4 | 0 | 0 | 0 | 112.3 | ||||
| 256 | T | 24.4 | Very low | 27.9 | Very low | 144 Ų | 144 | 136.6 Ų | 136.6 | 88% | 0.883 | 84% | 0.835 | S | S | * | * | trans | -164.7 | 115.2 | 137 | 34.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 257 | S | 27.9 | Very low | 28 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 77% | 0.769 | 83% | 0.832 | S | S | * | * | trans | -79.5 | 138.5 | 162.1 | 47.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 258 | E | 26.5 | Very low | 27.7 | Very low | 202 Ų | 202 | 136.8 Ų | 136.8 | 94% | 0.944 | 83% | 0.833 | S | S | * | * | trans | 168.3 | 145.5 | 132.6 | -96.1 | 179.7 | -173.9 | 0 | 0 | 112.2 | ||||
| 259 | G | 25 | Very low | 26.7 | Very low | 80 Ų | 80 | 138.1 Ų | 138.1 | 83% | 0.825 | 84% | 0.839 | S | S | * | * | trans | 154.7 | 56.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 260 | A | 26.7 | Very low | 26.5 | Very low | 99 Ų | 99 | 139.7 Ų | 139.7 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | trans | -89.9 | 144.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 261 | T | 27.5 | Very low | 26.4 | Very low | 137 Ų | 137 | 139.3 Ų | 139.3 | 84% | 0.84 | 84% | 0.841 | S | S | * | * | trans | -151.3 | 142.9 | 165.2 | 51.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 262 | S | 28 | Very low | 26.4 | Very low | 125 Ų | 125 | 135.7 Ų | 135.7 | 87% | 0.874 | 84% | 0.841 | S | S | * | * | cis | -174.1 | 131.6 | -21.9 | -115.5 | 0 | 0 | 0 | 0 | 103.4 | ||||
| 263 | G | 24.5 | Very low | 26.3 | Very low | 74 Ų | 74 | 132.3 Ų | 132.3 | 76% | 0.763 | 83% | 0.834 | S | S | * | * | trans | -135.2 | 126.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 264 | L | 26 | Very low | 26.3 | Very low | 182 Ų | 182 | 131 Ų | 131 | 95% | 0.953 | 84% | 0.838 | S | S | * | * | trans | -61.4 | 137.2 | -162.8 | -69.9 | 141.6 | 0 | 0 | 0 | 115.4 | ||||
| 265 | I | 26.3 | Very low | 26.3 | Very low | 162 Ų | 162 | 127.9 Ų | 127.9 | 83% | 0.831 | 83% | 0.833 | S | S | * | * | trans | -121.6 | 130.8 | 162.9 | -61.7 | 178.4 | 0 | 0 | 0 | 108.4 | ||||
| 266 | I | 25.8 | Very low | 26.5 | Very low | 158 Ų | 158 | 126.9 Ų | 126.9 | 81% | 0.81 | 84% | 0.835 | S | S | * | * | trans | -91.3 | 136 | 169.6 | -61.5 | 176.2 | 0 | 0 | 0 | 108.3 | ||||
| 267 | P | 28.3 | Very low | 26.6 | Very low | 111 Ų | 111 | 131.5 Ų | 131.5 | 72% | 0.721 | 84% | 0.836 | S | S | * | * | trans | -89.8 | 144.6 | -175.1 | 34.5 | -31.6 | 0 | 0 | 0 | 112.4 | ||||
| 268 | L | 25.1 | Very low | 26.6 | Very low | 173 Ų | 173 | 132 Ų | 132 | 91% | 0.906 | 84% | 0.837 | S | S | * | * | trans | -118.5 | 127.8 | 160 | -87.6 | 164.7 | 0 | 0 | 0 | 109.7 | ||||
| 269 | T | 26.7 | Very low | 26.6 | Very low | 132 Ų | 132 | 130.8 Ų | 130.8 | 81% | 0.81 | 84% | 0.836 | S | S | * | * | trans | -72.7 | 142.4 | -171.1 | 43.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 270 | I | 27.6 | Very low | 26.8 | Very low | 162 Ų | 162 | 134 Ų | 134 | 83% | 0.831 | 84% | 0.835 | S | S | * | * | trans | -78.5 | 137.4 | 171.4 | -64.6 | 167.8 | 0 | 0 | 0 | 109.9 | ||||
| 271 | S | 26 | Very low | 27.1 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 85% | 0.846 | 83% | 0.831 | S | S | * | * | trans | -138.1 | 124 | 156 | -70.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 272 | G | 26.6 | Very low | 27.3 | Very low | 80 Ų | 80 | 135.1 Ų | 135.1 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | trans | -90.3 | 176.2 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 273 | G | 24.5 | Very low | 27.5 | Very low | 70 Ų | 70 | 135.2 Ų | 135.2 | 72% | 0.722 | 83% | 0.828 | S | S | * | * | trans | 134.2 | 92.8 | 156.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 274 | S | 26.2 | Very low | 28.7 | Very low | 131 Ų | 131 | 136.6 Ų | 136.6 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | 59.2 | 120.4 | 140.2 | 61.5 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 275 | G | 25.6 | Very low | 30.2 | Very low | 73 Ų | 73 | 131.2 Ų | 131.2 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | 149.4 | 122 | 149.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 276 | P | 30.6 | Very low | 32.2 | Very low | 139 Ų | 139 | 129 Ų | 129 | 90% | 0.903 | 79% | 0.793 | S | S | * | * | trans | -86.6 | 129.9 | -174.5 | 33.2 | -30.3 | 0 | 0 | 0 | 112.4 | ||||
| 277 | R | 26.9 | Very low | 34.4 | Very low | 240 Ų | 240 | 123.7 Ų | 123.7 | 91% | 0.906 | 77% | 0.766 | S | S | * | * | trans | -131.3 | 148.7 | 161.4 | -114.3 | -169.9 | 170.6 | -169.4 | -2.4 | 109.8 | ||||
| 278 | P | 29 | Very low | 36.7 | Very low | 122 Ų | 122 | 119.2 Ų | 119.2 | 79% | 0.792 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 141.3 | -155.8 | -15.7 | 27 | 0 | 0 | 0 | 114.6 | N280 | P278-N280 PolarHBondContact O-N 3.38Š|
| 279 | L | 26.3 | Very low | 38.9 | Very low | 176 Ų | 176 | 116 Ų | 116 | 92% | 0.921 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 116.8 | 172.1 | -77.1 | 151.8 | 0 | 0 | 0 | 110.5 | ||
| 280 | N | 27.8 | Very low | 41 | Very low | 148 Ų | 148 | 111.3 Ų | 111.3 | 79% | 0.791 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -70 | 147.1 | 162.4 | -87.3 | -18.9 | 0 | 0 | 0 | 110.4 | P278 | P278-N280 PolarHBondContact O-N 3.38Š|
| 281 | P | 34.8 | Very low | 43.5 | Very low | 115 Ų | 115 | 105.1 Ų | 105.1 | 75% | 0.747 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 145 | -178 | 27.4 | -32.5 | 0 | 0 | 0 | 112.3 | T283 | P281-T283 PolarHBondContact O-N 3.31Š|
| 282 | V | 30.2 | Very low | 46.3 | Very low | 143 Ų | 143 | 102.9 Ų | 102.9 | 87% | 0.867 | 65% | 0.646 | S | S | * | * | trans | -45.5 | 113.2 | -174.9 | 179.7 | 0 | 0 | 0 | 0 | 112.3 | Q284 | V282-Q284 PolarHBondContact O-N 3.42Š| ||
| 283 | T | 33.9 | Very low | 49.1 | Very low | 127 Ų | 127 | 102.7 Ų | 102.7 | 78% | 0.779 | 62% | 0.624 | S | S | * | * | trans | -55.1 | 115.8 | 174.6 | 32.9 | 0 | 0 | 0 | 0 | 111.4 | P281 A285 | P281-T283 PolarHBondContact O-N 3.31Å; T283-A285 PolarHBondContact O-N 3.39Å | ||
| 284 | Q | 48.7 | Very low | 51.9 | Low | 104 Ų | 104 | 104 Ų | 104 | 49% | 0.486 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -54.7 | 136.3 | 153.9 | -55.4 | -175.3 | 4 | 0 | 0 | 107.7 | V282 | V282-Q284 PolarHBondContact O-N 3.42Š|
| 285 | A | 57.5 | Low | 54.5 | Low | 68 Ų | 68 | 101.7 Ų | 101.7 | 56% | 0.562 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 128.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | T283 L287 R315 | T283-A285 PolarHBondContact O-N 3.39Å; A285-L287 PolarHBondContact O-N 2.78Å; A285-R315 PolarHBondContact O-NH2 3.31Å |
| 286 | P | 67.8 | Low | 57 | Low | 117 Ų | 117 | 99.7 Ų | 99.7 | 76% | 0.76 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 136.8 | -174.1 | 19.2 | -30.3 | 0 | 0 | 0 | 110.5 | ||
| 287 | L | 72.9 | Confident | 58.6 | Low | 45 Ų | 45 | 102.5 Ų | 102.5 | 24% | 0.236 | 56% | 0.56 | C | S | . | * | P | Polyproline II helix | trans | -57.6 | 148.1 | 175.5 | -67.6 | 168.6 | 0 | 0 | 0 | 109.5 | A285 W291 Q293 Y303 R315 P316 | A285-L287 PolarHBondContact O-N 2.78Å; L287-W291 HydrophobicContact CB-CB 4.09Å; L287-Q293 HydrophobicContact CD1-CB 3.82Å; L287-Y303 HydrophobicContact CD1-CD1 4.29Å; L287-Y303 HydrophobicContact CD2-CD1 3.74Å; L287-Y303 HydrophobicContact CD2-CE1 3.71Å; L287-R315 HydrophobicContact CD2-CG 4.11Å; L287-P316 HydrophobicContact CD2-CG 3.95Å |
| 288 | P | 76.8 | Confident | 60.4 | Low | 17 Ų | 17 | 98.3 Ų | 98.3 | 11% | 0.11 | 55% | 0.551 | C | S | . | * | P | Polyproline II helix | trans | -56.5 | 148.4 | 176.7 | -21.7 | 33.3 | 0 | 0 | 0 | 110.9 | G290 W291 P316 E317 | P288-G290 PolarHBondContact O-N 2.88Å; P288-W291 WeakPolarHBondContact O-CB 3.45Å; P288-W291 PolarHBondContact O-N 3.27Å; P288-P316 WeakPolarHBondContact CD-O 3.3Å; P288-P316 HydrophobicContact CG-CB 4.07Å; P288-P316 HydrophobicContact CG-CG 4.33Å; P288-P316 WeakPolarHBondContact CG-O 3.39Å; P288-E317 WeakPolarHBondContact CG-O 3.31Å |
| 289 | P | 71.1 | Confident | 62.2 | Low | 106 Ų | 106 | 95 Ų | 95 | 69% | 0.688 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 124.1 | -178 | -27.9 | 34.7 | 0 | 0 | 0 | 113.1 | R325 | P289-R325 PolarHBondContact O-NH1 2.92Å; P289-R325 PolarHBondContact O-NH2 2.93Å |
| 290 | G | 71.3 | Confident | 64.1 | Low | 33 Ų | 33 | 93.1 Ų | 93.1 | 34% | 0.34 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.4 | -1.4 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | P288 H306 | P288-G290 PolarHBondContact O-N 2.88Å; G290-H306 WeakPolarHBondContact O-CB 3.31Å; G290-H306 PolarHBondContact O-N 2.98Å |
| 291 | W | 79.3 | Confident | 66.3 | Low | 32 Ų | 32 | 88.7 Ų | 88.7 | 12% | 0.121 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 133.7 | 172.4 | -74 | 84.9 | 0 | 0 | 0 | 111.8 | L287 P288 V304 D305 T312 P316 | L287-W291 HydrophobicContact CB-CB 4.09Å; P288-W291 WeakPolarHBondContact O-CB 3.45Å; P288-W291 PolarHBondContact O-N 3.27Å; W291-V304 CarbonylContact C-O 3.59Å; W291-V304 WeakPolarHBondContact CA-O 3.26Å; W291-D305 HydrophobicContact CD2-CB 3.98Å; W291-D305 HydrophobicContact CE3-CB 3.95Å; W291-D305 HydrophobicContact CH2-CB 3.8Å; W291-D305 HydrophobicContact CZ2-CB 3.78Å; W291-D305 VanDerWaalsContact CZ2-OD2 3.28Å; W291-D305 WeakPolarHBondContact CZ2-OD2 3.24Å; W291-D305 HydrophobicContact CZ3-CB 3.86Å; W291-T312 HydrophobicContact CH2-CG2 3.54Å; W291-T312 HydrophobicContact CZ3-CG2 3.46Å; W291-T312 VanDerWaalsContact CZ3-CG2 3.46Å; W291-P316 HydrophobicContact CB-CG 3.9Å; W291-P316 HydrophobicContact CD2-CB 3.54Å; W291-P316 HydrophobicContact CD2-CG 3.41Å; W291-P316 VanDerWaalsContact CD2-CG 3.41Å; W291-P316 VanDerWaalsContact CE2-CB 3.49Å; W291-P316 HydrophobicContact CE3-CB 3.93Å; W291-P316 HydrophobicContact CE3-CG 3.57Å; W291-P316 HydrophobicContact CG-CB 3.93Å; W291-P316 HydrophobicContact CG-CG 3.59Å; W291-P316 HydrophobicContact CH2-CB 4.12Å; W291-P316 HydrophobicContact CZ2-CB 3.79Å; W291-P316 HydrophobicContact CZ2-CG 4.5Å; W291-P316 HydrophobicContact CZ3-CB 4.21Å; W291-P316 HydrophobicContact CZ3-CG 4.17Å |
| 292 | E | 84 | Confident | 68.3 | Low | 75 Ų | 75 | 85.6 Ų | 85.6 | 35% | 0.35 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 133.3 | 174.3 | -176.9 | -171.4 | -172.7 | 0 | 0 | 109.4 | R294 Y303 V304 H306 | E292-R294 HydrophobicContact CG-CG 4.2Å; E292-R294 IonicContact OE1-NE 3.38Å; E292-R294 IonicContact OE1-NH2 2.77Å; E292-R294 IonicContact OE2-CZ 3.12Å; E292-R294 VanDerWaalsContact OE2-CZ 3.26Å; E292-R294 IonicContact OE2-NE 3.4Å; E292-R294 PolarHBondContact OE2-NE 3.13Å; E292-R294 IonicContact OE2-NH2 3.52Å; E292-R294 PolarHBondContact OE2-NH2 3.08Å; E292-Y303 CarbonylContact O-C 3.55Å; E292-Y303 WeakPolarHBondContact O-CA 3.06Å; E292-V304 HydrophobicContact CB-CB 4.44Å; E292-V304 PolarHBondContact N-O 2.85Å; E292-V304 PolarHBondContact O-N 2.75Å; E292-H306 VanDerWaalsContact CB-NE2 3.28Å; E292-H306 WeakPolarHBondContact CB-NE2 3.46Å; E292-H306 IonicContact OE2-CD2 3.05Å; E292-H306 IonicContact OE2-CE1 3.18Å; E292-H306 PolarHBondContact OE2-CE1 3.43Å; E292-H306 VanDerWaalsContact OE2-CE1 3.22Å; E292-H306 IonicContact OE2-NE2 3.12Å; E292-H306 PolarHBondContact OE2-NE2 3.15Å |
| 293 | Q | 85.6 | Confident | 70.8 | Confident | 76 Ų | 76 | 79.9 Ų | 79.9 | 36% | 0.355 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 128.3 | 168.7 | -177.6 | -177 | -40.2 | 0 | 0 | 109.5 | L287 V301 Y303 | L287-Q293 HydrophobicContact CD1-CB 3.82Å; Q293-V301 HydrophobicContact CG-CG1 3.36Å; Q293-Y303 HydrophobicContact CB-CD1 3.99Å; Q293-Y303 HydrophobicContact CB-CE1 3.98Å; Q293-Y303 HydrophobicContact CG-CD1 4.19Å; Q293-Y303 HydrophobicContact CG-CE1 3.85Å |
| 294 | R | 83.8 | Confident | 72.8 | Confident | 97 Ų | 97 | 74.5 Ų | 74.5 | 37% | 0.366 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 167.5 | 173.4 | -67.1 | -164.2 | -174.4 | -179 | -2.7 | 110.7 | E292 V301 Y302 V304 H306 | E292-R294 HydrophobicContact CG-CG 4.2Å; E292-R294 IonicContact OE1-NE 3.38Å; E292-R294 IonicContact OE1-NH2 2.77Å; E292-R294 IonicContact OE2-CZ 3.12Å; E292-R294 VanDerWaalsContact OE2-CZ 3.26Å; E292-R294 IonicContact OE2-NE 3.4Å; E292-R294 PolarHBondContact OE2-NE 3.13Å; E292-R294 IonicContact OE2-NH2 3.52Å; E292-R294 PolarHBondContact OE2-NH2 3.08Å; R294-V301 CarbonylContact O-C 3.56Å; R294-V301 WeakPolarHBondContact O-CA 3.29Å; R294-Y302 CarbonylContact C-O 3.59Å; R294-Y302 HydrophobicContact CB-CD1 4.03Å; R294-Y302 HydrophobicContact CB-CD2 4.29Å; R294-Y302 HydrophobicContact CB-CE1 3.47Å; R294-Y302 VanDerWaalsContact CB-CE1 3.47Å; R294-Y302 HydrophobicContact CB-CE2 3.81Å; R294-Y302 HydrophobicContact CB-CG 4.4Å; R294-Y302 WeakPolarHBondContact CD-OH 3.36Å; R294-Y302 HydrophobicContact CG-CE2 4.5Å; R294-Y302 PolarHBondContact N-O 2.97Å; R294-Y302 PolarHBondContact O-N 3.26Å; R294-V304 HydrophobicContact CB-CG2 4.28Å; R294-V304 HydrophobicContact CG-CG2 3.82Å; R294-H306 PolarHBondContact NH2-CE1 2.89Å |
| 295 | V | 81.4 | Confident | 74.2 | Confident | 82 Ų | 82 | 69.6 Ų | 69.6 | 50% | 0.497 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 131.2 | 178.9 | -175.2 | 0 | 0 | 0 | 0 | 107.6 | G299 R300 V301 | V295-G299 VanDerWaalsContact CG1-C 3.43Å; V295-G299 VanDerWaalsContact CG1-CA 3.49Å; V295-R300 CarbonylContact C-O 3.56Å; V295-R300 WeakPolarHBondContact CA-O 3Å; V295-V301 HydrophobicContact CG2-CG2 4.36Å |
| 296 | D | 76.9 | Confident | 74.9 | Confident | 31 Ų | 31 | 69.8 Ų | 69.8 | 17% | 0.166 | 37% | 0.368 | C | S | . | . | trans | -76.4 | 175.1 | 178 | 80.6 | -3 | 0 | 0 | 0 | 111.7 | H298 G299 R300 Y302 W313 | D296-H298 PolarHBondContact O-N 3.29Å; D296-H298 VanDerWaalsContact O-N 3.08Å; D296-H298 VanDerWaalsContact OD1-C 3.25Å; D296-H298 VanDerWaalsContact OD1-CA 3.31Å; D296-H298 WeakPolarHBondContact OD1-CA 3.31Å; D296-H298 WeakPolarHBondContact OD1-CB 3.16Å; D296-H298 PolarHBondContact OD1-N 2.83Å; D296-H298 IonicContact OD2-ND1 2.88Å; D296-G299 PolarHBondContact O-N 2.66Å; D296-G299 PolarHBondContact OD1-N 3.14Å; D296-R300 PolarHBondContact N-O 3.45Å; D296-R300 WeakPolarHBondContact OD1-CB 3.37Å; D296-R300 PolarHBondContact OD1-N 2.98Å; D296-R300 IonicContact OD2-CZ 3.93Å; D296-R300 VanDerWaalsContact OD2-CZ 3.29Å; D296-R300 IonicContact OD2-NE 3Å; D296-R300 PolarHBondContact OD2-NE 3.44Å; D296-R300 IonicContact OD2-NH2 3.07Å; D296-R300 PolarHBondContact OD2-NH2 2.95Å; D296-Y302 HydrophobicContact CB-CD1 4.18Å; D296-Y302 HydrophobicContact CB-CE1 4.15Å; D296-W313 HydrophobicContact CB-CH2 4.39Å; D296-W313 WeakPolarHBondContact OD2-CH2 3.14Å | ||
| 297 | Q | 65.1 | Low | 74.9 | Confident | 198 Ų | 198 | 67 Ų | 67 | 93% | 0.925 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -15.7 | 179.3 | -61.6 | 178.5 | 10 | 0 | 0 | 113.6 | ||
| 298 | H | 65.2 | Low | 74.5 | Confident | 152 Ų | 152 | 68.3 Ų | 68.3 | 70% | 0.704 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | 10 | 179 | -57 | 93.1 | 0 | 0 | 0 | 112.3 | D296 R300 | D296-H298 PolarHBondContact O-N 3.29Å; D296-H298 VanDerWaalsContact O-N 3.08Å; D296-H298 VanDerWaalsContact OD1-C 3.25Å; D296-H298 VanDerWaalsContact OD1-CA 3.31Å; D296-H298 WeakPolarHBondContact OD1-CA 3.31Å; D296-H298 WeakPolarHBondContact OD1-CB 3.16Å; D296-H298 PolarHBondContact OD1-N 2.83Å; D296-H298 IonicContact OD2-ND1 2.88Å; H298-R300 VanDerWaalsContact C-N 3.33Å; H298-R300 PolarHBondContact O-N 3.3Å |
| 299 | G | 65.6 | Low | 74.3 | Confident | 54 Ų | 54 | 75.5 Ų | 75.5 | 56% | 0.557 | 38% | 0.384 | S | S | * | . | S | Bend | trans | 79.8 | 8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | V295 D296 | V295-G299 VanDerWaalsContact CG1-C 3.43Å; V295-G299 VanDerWaalsContact CG1-CA 3.49Å; D296-G299 PolarHBondContact O-N 2.66Å; D296-G299 PolarHBondContact OD1-N 3.14Å |
| 300 | R | 65.9 | Low | 74.4 | Confident | 135 Ų | 135 | 75.5 Ų | 75.5 | 51% | 0.509 | 37% | 0.37 | S | S | . | . | trans | -85.3 | 131.9 | 179.3 | -58.5 | -177.2 | -61 | 172.6 | 2.6 | 110.6 | V295 D296 H298 W313 | V295-R300 CarbonylContact C-O 3.56Å; V295-R300 WeakPolarHBondContact CA-O 3Å; D296-R300 PolarHBondContact N-O 3.45Å; D296-R300 WeakPolarHBondContact OD1-CB 3.37Å; D296-R300 PolarHBondContact OD1-N 2.98Å; D296-R300 IonicContact OD2-CZ 3.93Å; D296-R300 VanDerWaalsContact OD2-CZ 3.29Å; D296-R300 IonicContact OD2-NE 3Å; D296-R300 PolarHBondContact OD2-NE 3.44Å; D296-R300 IonicContact OD2-NH2 3.07Å; D296-R300 PolarHBondContact OD2-NH2 2.95Å; H298-R300 VanDerWaalsContact C-N 3.33Å; H298-R300 PolarHBondContact O-N 3.3Å; R300-W313 HydrophobicContact CB-CE3 4.45Å; R300-W313 HydrophobicContact CB-CZ3 3.72Å | ||
| 301 | V | 75.6 | Confident | 74.4 | Confident | 56 Ų | 56 | 78.3 Ų | 78.3 | 34% | 0.339 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 131.3 | 177.7 | 179.9 | 0 | 0 | 0 | 0 | 109.9 | Q293 R294 V295 Y303 | Q293-V301 HydrophobicContact CG-CG1 3.36Å; R294-V301 CarbonylContact O-C 3.56Å; R294-V301 WeakPolarHBondContact O-CA 3.29Å; V295-V301 HydrophobicContact CG2-CG2 4.36Å; V301-Y303 HydrophobicContact CG1-CE1 4.36Å; V301-Y303 HydrophobicContact CG1-CE2 4.12Å |
| 302 | Y | 76.1 | Confident | 73.8 | Confident | 50 Ų | 50 | 78.8 Ų | 78.8 | 20% | 0.196 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 155.5 | 169.9 | 70.9 | -80.8 | 0 | 0 | 0 | 109.7 | R294 D296 V304 T311 T312 | R294-Y302 CarbonylContact C-O 3.59Å; R294-Y302 HydrophobicContact CB-CD1 4.03Å; R294-Y302 HydrophobicContact CB-CD2 4.29Å; R294-Y302 HydrophobicContact CB-CE1 3.47Å; R294-Y302 VanDerWaalsContact CB-CE1 3.47Å; R294-Y302 HydrophobicContact CB-CE2 3.81Å; R294-Y302 HydrophobicContact CB-CG 4.4Å; R294-Y302 WeakPolarHBondContact CD-OH 3.36Å; R294-Y302 HydrophobicContact CG-CE2 4.5Å; R294-Y302 PolarHBondContact N-O 2.97Å; R294-Y302 PolarHBondContact O-N 3.26Å; D296-Y302 HydrophobicContact CB-CD1 4.18Å; D296-Y302 HydrophobicContact CB-CE1 4.15Å; Y302-V304 HydrophobicContact CD2-CG2 3.95Å; Y302-V304 HydrophobicContact CE2-CG2 3.52Å; Y302-T311 HydrophobicContact CD2-CG2 4.16Å; Y302-T311 HydrophobicContact CE2-CG2 4.09Å; Y302-T312 CarbonylContact C-O 3.52Å; Y302-T312 WeakPolarHBondContact CA-O 3.39Å |
| 303 | Y | 83.3 | Confident | 73.3 | Confident | 22 Ų | 22 | 81.7 Ų | 81.7 | 9% | 0.086 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 130.8 | -176.2 | -55.8 | -90.5 | 0 | 0 | 0 | 109.5 | L287 E292 Q293 V301 T311 T312 D314 R315 P316 | L287-Y303 HydrophobicContact CD1-CD1 4.29Å; L287-Y303 HydrophobicContact CD2-CD1 3.74Å; L287-Y303 HydrophobicContact CD2-CE1 3.71Å; E292-Y303 CarbonylContact O-C 3.55Å; E292-Y303 WeakPolarHBondContact O-CA 3.06Å; Q293-Y303 HydrophobicContact CB-CD1 3.99Å; Q293-Y303 HydrophobicContact CB-CE1 3.98Å; Q293-Y303 HydrophobicContact CG-CD1 4.19Å; Q293-Y303 HydrophobicContact CG-CE1 3.85Å; V301-Y303 HydrophobicContact CG1-CE1 4.36Å; V301-Y303 HydrophobicContact CG1-CE2 4.12Å; Y303-T311 CarbonylContact O-C 3.57Å; Y303-T311 VanDerWaalsContact O-CA 3.23Å; Y303-T311 WeakPolarHBondContact O-CA 3.43Å; Y303-T312 PolarHBondContact N-O 2.89Å; Y303-T312 PolarHBondContact O-N 3.3Å; Y303-D314 VanDerWaalsContact CD2-C 3.45Å; Y303-D314 WeakPolarHBondContact CD2-O 3.37Å; Y303-R315 HydrophobicContact CE1-CB 4.18Å; Y303-R315 HydrophobicContact CE1-CG 3.87Å; Y303-R315 HydrophobicContact CE2-CB 3.78Å; Y303-R315 HydrophobicContact CE2-CG 4.39Å; Y303-R315 WeakPolarHBondContact OH-CB 3.14Å; Y303-P316 HydrophobicContact CD1-CG 4.43Å; Y303-P316 HydrophobicContact CG-CG 4.49Å |
| 304 | V | 75.3 | Confident | 72.5 | Confident | 15 Ų | 15 | 83.9 Ų | 83.9 | 9% | 0.091 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 119.2 | 179.4 | -175.2 | 0 | 0 | 0 | 0 | 108.7 | W291 E292 R294 Y302 H306 T311 | W291-V304 CarbonylContact C-O 3.59Å; W291-V304 WeakPolarHBondContact CA-O 3.26Å; E292-V304 HydrophobicContact CB-CB 4.44Å; E292-V304 PolarHBondContact N-O 2.85Å; E292-V304 PolarHBondContact O-N 2.75Å; R294-V304 HydrophobicContact CB-CG2 4.28Å; R294-V304 HydrophobicContact CG-CG2 3.82Å; Y302-V304 HydrophobicContact CD2-CG2 3.95Å; Y302-V304 HydrophobicContact CE2-CG2 3.52Å; V304-H306 PolarHBondContact O-N 2.84Å; V304-T311 HydrophobicContact CB-CG2 4.49Å; V304-T311 HydrophobicContact CG1-CG2 4.38Å; V304-T311 HydrophobicContact CG2-CG2 3.99Å |
| 305 | D | 78 | Confident | 72.1 | Confident | 1 Ų | 1 | 83.7 Ų | 83.7 | 1% | 0.005 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 102.7 | 168.2 | -167.4 | -28.1 | 0 | 0 | 0 | 108.2 | W291 V307 E308 K309 R310 | W291-D305 HydrophobicContact CD2-CB 3.98Å; W291-D305 HydrophobicContact CE3-CB 3.95Å; W291-D305 HydrophobicContact CH2-CB 3.8Å; W291-D305 HydrophobicContact CZ2-CB 3.78Å; W291-D305 VanDerWaalsContact CZ2-OD2 3.28Å; W291-D305 WeakPolarHBondContact CZ2-OD2 3.24Å; W291-D305 HydrophobicContact CZ3-CB 3.86Å; D305-V307 PolarHBondContact O-N 3.08Å; D305-V307 WeakPolarHBondContact OD1-CA 3.21Å; D305-V307 WeakPolarHBondContact OD1-CB 3.46Å; D305-V307 PolarHBondContact OD1-N 3.37Å; D305-E308 HydrophobicContact CB-CB 4.3Å; D305-E308 PolarHBondContact OD1-N 2.94Å; D305-K309 VanDerWaalsContact O-CA 3.24Å; D305-K309 WeakPolarHBondContact O-CA 3.47Å; D305-K309 PolarHBondContact O-N 3.18Å; D305-R310 HydrophobicContact CB-CG 3.66Å; D305-R310 PolarHBondContact N-O 3.27Å; D305-R310 PolarHBondContact O-N 3.5Å; D305-R310 IonicContact OD2-NE 3.8Å; D305-R310 IonicContact OD2-NH2 3.16Å |
| 306 | H | 72.1 | Confident | 71.6 | Confident | 71 Ų | 71 | 80.3 Ų | 80.3 | 33% | 0.329 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -12.8 | 178.8 | -75 | -76.7 | 0 | 0 | 0 | 113.4 | G290 E292 R294 V304 K309 | G290-H306 WeakPolarHBondContact O-CB 3.31Å; G290-H306 PolarHBondContact O-N 2.98Å; E292-H306 VanDerWaalsContact CB-NE2 3.28Å; E292-H306 WeakPolarHBondContact CB-NE2 3.46Å; E292-H306 IonicContact OE2-CD2 3.05Å; E292-H306 IonicContact OE2-CE1 3.18Å; E292-H306 PolarHBondContact OE2-CE1 3.43Å; E292-H306 VanDerWaalsContact OE2-CE1 3.22Å; E292-H306 IonicContact OE2-NE2 3.12Å; E292-H306 PolarHBondContact OE2-NE2 3.15Å; R294-H306 PolarHBondContact NH2-CE1 2.89Å; V304-H306 PolarHBondContact O-N 2.84Å; H306-K309 WeakPolarHBondContact O-CD 3.46Å; H306-K309 VanDerWaalsContact O-CE 3.27Å; H306-K309 WeakPolarHBondContact O-CE 3.14Å; H306-K309 PolarHBondContact O-NZ 3.03Å |
| 307 | V | 66.8 | Low | 71.5 | Confident | 59 Ų | 59 | 84.7 Ų | 84.7 | 36% | 0.358 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -51.6 | -178.1 | -170 | 0 | 0 | 0 | 0 | 109.6 | D305 K309 I333 | D305-V307 PolarHBondContact O-N 3.08Å; D305-V307 WeakPolarHBondContact OD1-CA 3.21Å; D305-V307 WeakPolarHBondContact OD1-CB 3.46Å; D305-V307 PolarHBondContact OD1-N 3.37Å; V307-K309 VanDerWaalsContact C-N 3.27Å; V307-K309 PolarHBondContact O-N 3.48Å; V307-I333 HydrophobicContact CG1-CD1 3.72Å; V307-I333 HydrophobicContact CG1-CG1 4.46Å |
| 308 | E | 65 | Low | 72.1 | Confident | 72 Ų | 72 | 79.9 Ų | 79.9 | 34% | 0.336 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -2.1 | 176.6 | -66.9 | -173.8 | -154.4 | 0 | 0 | 113.5 | D305 R310 I333 | D305-E308 HydrophobicContact CB-CB 4.3Å; D305-E308 PolarHBondContact OD1-N 2.94Å; E308-R310 HydrophobicContact CB-CG 3.98Å; E308-R310 PolarHBondContact O-N 3.28Å; E308-R310 IonicContact OE1-CZ 3.51Å; E308-R310 IonicContact OE1-NH2 2.97Å; E308-R310 PolarHBondContact OE1-NH2 2.97Å; E308-R310 VanDerWaalsContact OE1-NH2 3.1Å; E308-R310 IonicContact OE2-CZ 3.65Å; E308-R310 IonicContact OE2-NE 3.82Å; E308-R310 PolarHBondContact OE2-NE 3.45Å; E308-R310 VanDerWaalsContact OE2-NE 3.14Å; E308-R310 IonicContact OE2-NH1 2.7Å; E308-R310 PolarHBondContact OE2-NH1 3.25Å; E308-R310 IonicContact OE2-NH2 3.93Å; E308-R310 PolarHBondContact OE2-NH2 2.67Å; E308-I333 HydrophobicContact CG-CD1 3.67Å |
| 309 | K | 73.9 | Confident | 73 | Confident | 169 Ų | 169 | 74.9 Ų | 74.9 | 74% | 0.735 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 40.4 | -179 | -55.3 | -57.4 | -174.5 | -165.8 | 0 | 112.6 | D305 H306 V307 | D305-K309 VanDerWaalsContact O-CA 3.24Å; D305-K309 WeakPolarHBondContact O-CA 3.47Å; D305-K309 PolarHBondContact O-N 3.18Å; H306-K309 WeakPolarHBondContact O-CD 3.46Å; H306-K309 VanDerWaalsContact O-CE 3.27Å; H306-K309 WeakPolarHBondContact O-CE 3.14Å; H306-K309 PolarHBondContact O-NZ 3.03Å; V307-K309 VanDerWaalsContact C-N 3.27Å; V307-K309 PolarHBondContact O-N 3.48Å |
| 310 | R | 72.4 | Confident | 74 | Confident | 106 Ų | 106 | 72.8 Ų | 72.8 | 40% | 0.4 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 166.1 | 178.8 | 67.1 | 171.6 | 179.3 | -161.2 | -17.8 | 111.9 | D305 E308 | D305-R310 HydrophobicContact CB-CG 3.66Å; D305-R310 PolarHBondContact N-O 3.27Å; D305-R310 PolarHBondContact O-N 3.5Å; D305-R310 IonicContact OD2-NE 3.8Å; D305-R310 IonicContact OD2-NH2 3.16Å; E308-R310 HydrophobicContact CB-CG 3.98Å; E308-R310 PolarHBondContact O-N 3.28Å; E308-R310 IonicContact OE1-CZ 3.51Å; E308-R310 IonicContact OE1-NH2 2.97Å; E308-R310 PolarHBondContact OE1-NH2 2.97Å; E308-R310 VanDerWaalsContact OE1-NH2 3.1Å; E308-R310 IonicContact OE2-CZ 3.65Å; E308-R310 IonicContact OE2-NE 3.82Å; E308-R310 PolarHBondContact OE2-NE 3.45Å; E308-R310 VanDerWaalsContact OE2-NE 3.14Å; E308-R310 IonicContact OE2-NH1 2.7Å; E308-R310 PolarHBondContact OE2-NH1 3.25Å; E308-R310 IonicContact OE2-NH2 3.93Å; E308-R310 PolarHBondContact OE2-NH2 2.67Å |
| 311 | T | 71.6 | Confident | 75 | Confident | 92 Ų | 92 | 71.4 Ų | 71.4 | 56% | 0.564 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 142.5 | 173.2 | 57.6 | 0 | 0 | 0 | 0 | 110.2 | Y302 Y303 V304 | Y302-T311 HydrophobicContact CD2-CG2 4.16Å; Y302-T311 HydrophobicContact CE2-CG2 4.09Å; Y303-T311 CarbonylContact O-C 3.57Å; Y303-T311 VanDerWaalsContact O-CA 3.23Å; Y303-T311 WeakPolarHBondContact O-CA 3.43Å; V304-T311 HydrophobicContact CB-CG2 4.49Å; V304-T311 HydrophobicContact CG1-CG2 4.38Å; V304-T311 HydrophobicContact CG2-CG2 3.99Å |
| 312 | T | 65.7 | Low | 75.4 | Confident | 42 Ų | 42 | 69.7 Ų | 69.7 | 26% | 0.258 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 155.7 | 171.6 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | W291 Y302 Y303 D314 | W291-T312 HydrophobicContact CH2-CG2 3.54Å; W291-T312 HydrophobicContact CZ3-CG2 3.46Å; W291-T312 VanDerWaalsContact CZ3-CG2 3.46Å; Y302-T312 CarbonylContact C-O 3.52Å; Y302-T312 WeakPolarHBondContact CA-O 3.39Å; Y303-T312 PolarHBondContact N-O 2.89Å; Y303-T312 PolarHBondContact O-N 3.3Å; T312-D314 VanDerWaalsContact CG2-O 3.22Å; T312-D314 WeakPolarHBondContact CG2-O 3.36Å; T312-D314 PolarHBondContact OG1-N 2.74Å; T312-D314 VanDerWaalsContact OG1-N 3.12Å |
| 313 | W | 73.3 | Confident | 76 | Confident | 136 Ų | 136 | 68.4 Ų | 68.4 | 52% | 0.515 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -82.6 | -19.7 | 172.9 | -60.4 | 99.3 | 0 | 0 | 0 | 111.9 | D296 R300 | D296-W313 HydrophobicContact CB-CH2 4.39Å; D296-W313 WeakPolarHBondContact OD2-CH2 3.14Å; R300-W313 HydrophobicContact CB-CE3 4.45Å; R300-W313 HydrophobicContact CB-CZ3 3.72Å |
| 314 | D | 70.1 | Confident | 76.2 | Confident | 121 Ų | 121 | 71 Ų | 71 | 65% | 0.647 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -88.1 | 139.5 | -178.5 | -62.9 | -50.8 | 0 | 0 | 0 | 112.1 | Y303 T312 P316 | Y303-D314 VanDerWaalsContact CD2-C 3.45Å; Y303-D314 WeakPolarHBondContact CD2-O 3.37Å; T312-D314 VanDerWaalsContact CG2-O 3.22Å; T312-D314 WeakPolarHBondContact CG2-O 3.36Å; T312-D314 PolarHBondContact OG1-N 2.74Å; T312-D314 VanDerWaalsContact OG1-N 3.12Å; D314-P316 WeakPolarHBondContact O-CD 3.41Å |
| 315 | R | 75.3 | Confident | 76.7 | Confident | 93 Ų | 93 | 73.6 Ų | 73.6 | 35% | 0.351 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 122.9 | 177.5 | -172.8 | -179.3 | -176 | 128.7 | 4.7 | 109.6 | A285 L287 Y303 E317 | A285-R315 PolarHBondContact O-NH2 3.31Å; L287-R315 HydrophobicContact CD2-CG 4.11Å; Y303-R315 HydrophobicContact CE1-CB 4.18Å; Y303-R315 HydrophobicContact CE1-CG 3.87Å; Y303-R315 HydrophobicContact CE2-CB 3.78Å; Y303-R315 HydrophobicContact CE2-CG 4.39Å; Y303-R315 WeakPolarHBondContact OH-CB 3.14Å; R315-E317 PolarHBondContact O-N 2.95Å |
| 316 | P | 70.6 | Confident | 77.1 | Confident | 12 Ų | 12 | 77.7 Ų | 77.7 | 8% | 0.078 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 122 | 177.6 | 29.2 | -38.3 | 0 | 0 | 0 | 110.4 | L287 P288 W291 Y303 D314 | L287-P316 HydrophobicContact CD2-CG 3.95Å; P288-P316 WeakPolarHBondContact CD-O 3.3Å; P288-P316 HydrophobicContact CG-CB 4.07Å; P288-P316 HydrophobicContact CG-CG 4.33Å; P288-P316 WeakPolarHBondContact CG-O 3.39Å; W291-P316 HydrophobicContact CB-CG 3.9Å; W291-P316 HydrophobicContact CD2-CB 3.54Å; W291-P316 HydrophobicContact CD2-CG 3.41Å; W291-P316 VanDerWaalsContact CD2-CG 3.41Å; W291-P316 VanDerWaalsContact CE2-CB 3.49Å; W291-P316 HydrophobicContact CE3-CB 3.93Å; W291-P316 HydrophobicContact CE3-CG 3.57Å; W291-P316 HydrophobicContact CG-CB 3.93Å; W291-P316 HydrophobicContact CG-CG 3.59Å; W291-P316 HydrophobicContact CH2-CB 4.12Å; W291-P316 HydrophobicContact CZ2-CB 3.79Å; W291-P316 HydrophobicContact CZ2-CG 4.5Å; W291-P316 HydrophobicContact CZ3-CB 4.21Å; W291-P316 HydrophobicContact CZ3-CG 4.17Å; Y303-P316 HydrophobicContact CD1-CG 4.43Å; Y303-P316 HydrophobicContact CG-CG 4.49Å; D314-P316 WeakPolarHBondContact O-CD 3.41Å |
| 317 | E | 73.9 | Confident | 77.6 | Confident | 122 Ų | 122 | 78.1 Ų | 78.1 | 57% | 0.57 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 154.7 | 176.1 | -64.3 | -169.6 | 156.3 | 0 | 0 | 111.1 | P288 R315 R347 | P288-E317 WeakPolarHBondContact CG-O 3.31Å; R315-E317 PolarHBondContact O-N 2.95Å; E317-R347 PolarHBondContact O-NH2 3.21Å |
| 318 | P | 78.8 | Confident | 78.5 | Confident | 97 Ų | 97 | 76.8 Ų | 76.8 | 63% | 0.63 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 159.6 | 168.2 | 28.7 | -33.5 | 0 | 0 | 0 | 111.6 | R347 | P318-R347 PolarHBondContact O-NH2 3.47Š|
| 319 | L | 82.7 | Confident | 79.3 | Confident | 48 Ų | 48 | 81.8 Ų | 81.8 | 25% | 0.251 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -68 | 149.9 | 170.4 | -65.6 | 175 | 0 | 0 | 0 | 110 | W323 R325 Y335 R347 P348 | L319-W323 HydrophobicContact CB-CB 4.16Å; L319-R325 HydrophobicContact CD1-CB 4.18Å; L319-Y335 HydrophobicContact CD1-CD1 4.08Å; L319-Y335 HydrophobicContact CD1-CE1 4.25Å; L319-Y335 HydrophobicContact CD2-CD1 3.92Å; L319-Y335 HydrophobicContact CD2-CE1 3.77Å; L319-R347 HydrophobicContact CD2-CG 3.89Å; L319-P348 HydrophobicContact CD2-CG 4.06Å |
| 320 | P | 88.4 | Confident | 79.6 | Confident | 10 Ų | 10 | 80.7 Ų | 80.7 | 7% | 0.065 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 154.2 | 173.5 | -23.1 | 33.7 | 0 | 0 | 0 | 112 | G322 W323 P348 L350 V353 | P320-G322 PolarHBondContact O-N 3.32Å; P320-W323 WeakPolarHBondContact O-CB 3.46Å; P320-W323 PolarHBondContact O-N 3.43Å; P320-W323 VanDerWaalsContact O-N 3.12Å; P320-P348 VanDerWaalsContact CD-O 3.24Å; P320-P348 WeakPolarHBondContact CD-O 3.19Å; P320-P348 HydrophobicContact CG-CB 4.32Å; P320-L350 HydrophobicContact CB-CD2 4.3Å; P320-V353 HydrophobicContact CB-CG2 4.06Å; P320-V353 HydrophobicContact CG-CG2 3.97Å |
| 321 | P | 85.1 | Confident | 79.8 | Confident | 105 Ų | 105 | 78.2 Ų | 78.2 | 68% | 0.682 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 136.9 | 178.7 | -25.8 | 34.5 | 0 | 0 | 0 | 112.2 | W323 F339 | P321-W323 VanDerWaalsContact C-N 3.29Å; P321-W323 PolarHBondContact O-N 3.35Å; P321-F339 HydrophobicContact CB-CE2 4.46Å |
| 322 | G | 84.9 | Confident | 80.2 | Confident | 21 Ų | 21 | 77.7 Ų | 77.7 | 22% | 0.216 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | -15.6 | -179 | 0 | 0 | 0 | 0 | 0 | 115 | P320 H338 | P320-G322 PolarHBondContact O-N 3.32Å; G322-H338 PolarHBondContact O-CD2 3.38Å; G322-H338 VanDerWaalsContact O-CD2 3.32Å; G322-H338 PolarHBondContact O-N 2.81Å |
| 323 | W | 88.2 | Confident | 80.9 | Confident | 22 Ų | 22 | 77.3 Ų | 77.3 | 8% | 0.083 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 133.9 | 180 | -71.8 | 84 | 0 | 0 | 0 | 112.8 | L319 P320 P321 V336 D337 T344 P348 V353 M567 | L319-W323 HydrophobicContact CB-CB 4.16Å; P320-W323 WeakPolarHBondContact O-CB 3.46Å; P320-W323 PolarHBondContact O-N 3.43Å; P320-W323 VanDerWaalsContact O-N 3.12Å; P321-W323 VanDerWaalsContact C-N 3.29Å; P321-W323 PolarHBondContact O-N 3.35Å; W323-V336 CarbonylContact C-O 3.57Å; W323-V336 WeakPolarHBondContact CA-O 3.48Å; W323-D337 HydrophobicContact CD2-CB 3.85Å; W323-D337 HydrophobicContact CE3-CB 4.02Å; W323-D337 HydrophobicContact CG-CB 4.49Å; W323-D337 HydrophobicContact CH2-CB 4Å; W323-D337 HydrophobicContact CZ2-CB 3.81Å; W323-D337 HydrophobicContact CZ3-CB 4.08Å; W323-T344 HydrophobicContact CH2-CG2 3.75Å; W323-T344 HydrophobicContact CZ3-CG2 3.63Å; W323-P348 HydrophobicContact CB-CG 3.97Å; W323-P348 HydrophobicContact CD2-CB 3.75Å; W323-P348 HydrophobicContact CD2-CG 3.49Å; W323-P348 VanDerWaalsContact CD2-CG 3.49Å; W323-P348 HydrophobicContact CE3-CB 4.06Å; W323-P348 HydrophobicContact CE3-CG 3.58Å; W323-P348 HydrophobicContact CG-CB 4.14Å; W323-P348 HydrophobicContact CG-CG 3.7Å; W323-P348 HydrophobicContact CH2-CB 4.4Å; W323-P348 HydrophobicContact CZ2-CB 4.13Å; W323-P348 HydrophobicContact CZ3-CB 4.38Å; W323-P348 HydrophobicContact CZ3-CG 4.23Å; W323-V353 HydrophobicContact CZ2-CG2 4.37Å; W323-M567 HydrophobicContact CH2-CE 4.06Å; W323-M567 HydrophobicContact CH2-SD 3.69Å; W323-M567 HydrophobicContact CZ2-CE 3.99Å; W323-M567 HydrophobicContact CZ2-SD 4.24Å |
| 324 | E | 87.9 | Confident | 81.5 | Confident | 77 Ų | 77 | 73.5 Ų | 73.5 | 36% | 0.36 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 138.1 | 175.7 | -176.9 | -172.8 | -165.9 | 0 | 0 | 109.9 | R326 Y335 V336 H338 | E324-R326 HydrophobicContact CG-CG 4.35Å; E324-R326 IonicContact OE2-CZ 2.94Å; E324-R326 IonicContact OE2-NE 3.73Å; E324-R326 PolarHBondContact OE2-NE 3.14Å; E324-R326 IonicContact OE2-NH2 3.43Å; E324-R326 PolarHBondContact OE2-NH2 3.21Å; E324-Y335 CarbonylContact O-C 3.52Å; E324-Y335 WeakPolarHBondContact O-CA 3.29Å; E324-V336 PolarHBondContact N-O 3.39Å; E324-V336 PolarHBondContact O-N 3.26Å; E324-H338 WeakPolarHBondContact CB-NE2 3.27Å; E324-H338 IonicContact OE2-CD2 3.3Å; E324-H338 IonicContact OE2-CE1 2.64Å; E324-H338 PolarHBondContact OE2-CE1 2.88Å; E324-H338 IonicContact OE2-NE2 3.78Å; E324-H338 PolarHBondContact OE2-NE2 3.12Å |
| 325 | R | 85.8 | Confident | 82.4 | Confident | 69 Ų | 69 | 68.1 Ų | 68.1 | 26% | 0.26 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 130.7 | 167.7 | -175.8 | -175.4 | 66.6 | -164.5 | -7.6 | 109.8 | P289 L319 I333 Y335 | P289-R325 PolarHBondContact O-NH1 2.92Å; P289-R325 PolarHBondContact O-NH2 2.93Å; L319-R325 HydrophobicContact CD1-CB 4.18Å; R325-I333 HydrophobicContact CG-CG2 3.46Å; R325-I333 VanDerWaalsContact CG-CG2 3.46Å; R325-Y335 HydrophobicContact CB-CD1 4.07Å; R325-Y335 HydrophobicContact CB-CE1 3.92Å; R325-Y335 HydrophobicContact CG-CD1 4.34Å; R325-Y335 HydrophobicContact CG-CE1 3.9Å |
| 326 | R | 87.1 | Confident | 83.1 | Confident | 88 Ų | 88 | 64.1 Ų | 64.1 | 33% | 0.332 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 166 | 172.4 | -67.8 | -165.1 | -176.4 | 151.6 | 5.5 | 111.7 | E324 I333 Y334 V336 H338 | E324-R326 HydrophobicContact CG-CG 4.35Å; E324-R326 IonicContact OE2-CZ 2.94Å; E324-R326 IonicContact OE2-NE 3.73Å; E324-R326 PolarHBondContact OE2-NE 3.14Å; E324-R326 IonicContact OE2-NH2 3.43Å; E324-R326 PolarHBondContact OE2-NH2 3.21Å; R326-I333 WeakPolarHBondContact O-CA 3.34Å; R326-Y334 HydrophobicContact CB-CD1 4.12Å; R326-Y334 HydrophobicContact CB-CD2 4.37Å; R326-Y334 HydrophobicContact CB-CE1 3.56Å; R326-Y334 HydrophobicContact CB-CE2 3.87Å; R326-Y334 HydrophobicContact CB-CG 4.49Å; R326-Y334 VanDerWaalsContact CB-CZ 3.41Å; R326-Y334 WeakPolarHBondContact CD-OH 3.27Å; R326-Y334 PolarHBondContact N-O 3.17Å; R326-Y334 PolarHBondContact O-N 2.96Å; R326-Y334 VanDerWaalsContact O-O 3.06Å; R326-V336 HydrophobicContact CG-CG2 4.18Å; R326-H338 PolarHBondContact NH2-CE1 2.83Å |
| 327 | V | 82.9 | Confident | 84.1 | Confident | 80 Ų | 80 | 64 Ų | 64 | 49% | 0.485 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 133.5 | 175.9 | -176 | 0 | 0 | 0 | 0 | 107.5 | G331 R332 | V327-G331 VanDerWaalsContact CG1-C 3.41Å; V327-G331 VanDerWaalsContact CG1-CA 3.44Å; V327-R332 CarbonylContact C-O 3.43Å; V327-R332 VanDerWaalsContact CA-O 3.3Å; V327-R332 WeakPolarHBondContact CA-O 3.31Å |
| 328 | D | 83.9 | Confident | 84.7 | Confident | 30 Ų | 30 | 61.4 Ų | 61.4 | 16% | 0.16 | 33% | 0.329 | C | S | . | . | trans | -83 | 179 | 177.3 | 76.9 | -0.8 | 0 | 0 | 0 | 111.8 | M330 G331 R332 Y334 | D328-M330 PolarHBondContact O-N 2.79Å; D328-M330 VanDerWaalsContact O-N 3.07Å; D328-M330 WeakPolarHBondContact OD1-CA 3.3Å; D328-M330 WeakPolarHBondContact OD1-CB 3.28Å; D328-M330 PolarHBondContact OD1-N 3.02Å; D328-G331 PolarHBondContact O-N 2.73Å; D328-G331 PolarHBondContact OD1-N 3.42Å; D328-G331 VanDerWaalsContact OD1-N 3.11Å; D328-R332 PolarHBondContact N-O 3.21Å; D328-R332 WeakPolarHBondContact OD1-CB 3.46Å; D328-R332 PolarHBondContact OD1-N 3.46Å; D328-R332 IonicContact OD1-NE 2.8Å; D328-R332 IonicContact OD2-CZ 3.48Å; D328-R332 IonicContact OD2-NE 3.37Å; D328-R332 PolarHBondContact OD2-NE 2.97Å; D328-R332 IonicContact OD2-NH2 3.53Å; D328-R332 PolarHBondContact OD2-NH2 3.19Å; D328-Y334 HydrophobicContact CB-CD1 4.13Å; D328-Y334 HydrophobicContact CB-CE1 3.94Å | ||
| 329 | N | 81.8 | Confident | 85.1 | Confident | 177 Ų | 177 | 64.3 Ų | 64.3 | 95% | 0.947 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -14.3 | -178.9 | -62.1 | 3 | 0 | 0 | 0 | 113.4 | ||
| 330 | M | 81 | Confident | 85.1 | Confident | 146 Ų | 146 | 64.8 Ų | 64.8 | 72% | 0.719 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 4.9 | 178.6 | -66.4 | 175 | 160.6 | 0 | 0 | 112.2 | D328 R332 | D328-M330 PolarHBondContact O-N 2.79Å; D328-M330 VanDerWaalsContact O-N 3.07Å; D328-M330 WeakPolarHBondContact OD1-CA 3.3Å; D328-M330 WeakPolarHBondContact OD1-CB 3.28Å; D328-M330 PolarHBondContact OD1-N 3.02Å; M330-R332 VanDerWaalsContact C-N 3.3Å; M330-R332 HydrophobicContact CB-CG 4.15Å |
| 331 | G | 76.1 | Confident | 85.1 | Confident | 54 Ų | 54 | 73 Ų | 73 | 56% | 0.557 | 37% | 0.366 | S | S | * | . | S | Bend | trans | 79.7 | 9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V327 D328 | V327-G331 VanDerWaalsContact CG1-C 3.41Å; V327-G331 VanDerWaalsContact CG1-CA 3.44Å; D328-G331 PolarHBondContact O-N 2.73Å; D328-G331 PolarHBondContact OD1-N 3.42Å; D328-G331 VanDerWaalsContact OD1-N 3.11Å |
| 332 | R | 80.4 | Confident | 85.1 | Confident | 81 Ų | 81 | 68.9 Ų | 68.9 | 31% | 0.306 | 34% | 0.339 | S | S | . | . | trans | -86.8 | 140.2 | -178.8 | -53.9 | 177.8 | -62.7 | 179.8 | 6.5 | 110.4 | V327 D328 M330 W345 P591 | V327-R332 CarbonylContact C-O 3.43Å; V327-R332 VanDerWaalsContact CA-O 3.3Å; V327-R332 WeakPolarHBondContact CA-O 3.31Å; D328-R332 PolarHBondContact N-O 3.21Å; D328-R332 WeakPolarHBondContact OD1-CB 3.46Å; D328-R332 PolarHBondContact OD1-N 3.46Å; D328-R332 IonicContact OD1-NE 2.8Å; D328-R332 IonicContact OD2-CZ 3.48Å; D328-R332 IonicContact OD2-NE 3.37Å; D328-R332 PolarHBondContact OD2-NE 2.97Å; D328-R332 IonicContact OD2-NH2 3.53Å; D328-R332 PolarHBondContact OD2-NH2 3.19Å; M330-R332 VanDerWaalsContact C-N 3.3Å; M330-R332 HydrophobicContact CB-CG 4.15Å; R332-W345 HydrophobicContact CB-CH2 4.43Å; R332-W345 HydrophobicContact CB-CZ3 3.83Å; R332-P591 VanDerWaalsContact NH1-CB 3.26Å | ||
| 333 | I | 81 | Confident | 85.3 | Confident | 35 Ų | 35 | 71.7 Ų | 71.7 | 18% | 0.179 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 134.2 | -179.1 | -58.5 | 173.9 | 0 | 0 | 0 | 109.8 | V307 E308 R325 R326 Y335 W345 | V307-I333 HydrophobicContact CG1-CD1 3.72Å; V307-I333 HydrophobicContact CG1-CG1 4.46Å; E308-I333 HydrophobicContact CG-CD1 3.67Å; R325-I333 HydrophobicContact CG-CG2 3.46Å; R325-I333 VanDerWaalsContact CG-CG2 3.46Å; R326-I333 WeakPolarHBondContact O-CA 3.34Å; I333-Y335 HydrophobicContact CG2-CE2 4.11Å; I333-W345 VanDerWaalsContact O-CE3 3.28Å |
| 334 | Y | 85.4 | Confident | 85.3 | Confident | 55 Ų | 55 | 71 Ų | 71 | 22% | 0.216 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 167.1 | 168.6 | 69.8 | -79.4 | 0 | 0 | 0 | 110.1 | R326 D328 V336 | R326-Y334 HydrophobicContact CB-CD1 4.12Å; R326-Y334 HydrophobicContact CB-CD2 4.37Å; R326-Y334 HydrophobicContact CB-CE1 3.56Å; R326-Y334 HydrophobicContact CB-CE2 3.87Å; R326-Y334 HydrophobicContact CB-CG 4.49Å; R326-Y334 VanDerWaalsContact CB-CZ 3.41Å; R326-Y334 WeakPolarHBondContact CD-OH 3.27Å; R326-Y334 PolarHBondContact N-O 3.17Å; R326-Y334 PolarHBondContact O-N 2.96Å; R326-Y334 VanDerWaalsContact O-O 3.06Å; D328-Y334 HydrophobicContact CB-CD1 4.13Å; D328-Y334 HydrophobicContact CB-CE1 3.94Å; Y334-V336 HydrophobicContact CD2-CG2 3.75Å; Y334-V336 HydrophobicContact CE2-CG2 3.35Å |
| 335 | Y | 90.1 | Very high | 85.1 | Confident | 9 Ų | 9 | 69.9 Ų | 69.9 | 4% | 0.035 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 142.1 | -175.4 | -58 | -90.2 | 0 | 0 | 0 | 110.4 | L319 E324 R325 I333 T343 T344 Q346 R347 P348 | L319-Y335 HydrophobicContact CD1-CD1 4.08Å; L319-Y335 HydrophobicContact CD1-CE1 4.25Å; L319-Y335 HydrophobicContact CD2-CD1 3.92Å; L319-Y335 HydrophobicContact CD2-CE1 3.77Å; E324-Y335 CarbonylContact O-C 3.52Å; E324-Y335 WeakPolarHBondContact O-CA 3.29Å; R325-Y335 HydrophobicContact CB-CD1 4.07Å; R325-Y335 HydrophobicContact CB-CE1 3.92Å; R325-Y335 HydrophobicContact CG-CD1 4.34Å; R325-Y335 HydrophobicContact CG-CE1 3.9Å; I333-Y335 HydrophobicContact CG2-CE2 4.11Å; Y335-T343 CarbonylContact O-C 3.53Å; Y335-T343 WeakPolarHBondContact O-CA 3.41Å; Y335-T344 PolarHBondContact N-O 3.17Å; Y335-T344 PolarHBondContact O-N 3.17Å; Y335-Q346 WeakPolarHBondContact CD2-O 3.22Å; Y335-R347 HydrophobicContact CE1-CB 4.28Å; Y335-R347 HydrophobicContact CE1-CG 3.97Å; Y335-R347 VanDerWaalsContact CE2-CA 3.4Å; Y335-R347 HydrophobicContact CE2-CB 3.83Å; Y335-R347 HydrophobicContact CE2-CG 4.41Å; Y335-P348 HydrophobicContact CD1-CG 4.38Å; Y335-P348 VanDerWaalsContact CG-CD 3.45Å; Y335-P348 HydrophobicContact CG-CG 4.39Å |
| 336 | V | 90 | Very high | 85.1 | Confident | 8 Ų | 8 | 70.5 Ų | 70.5 | 5% | 0.048 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 124.8 | -177.2 | -175.9 | 0 | 0 | 0 | 0 | 109.3 | W323 E324 R326 Y334 T343 | W323-V336 CarbonylContact C-O 3.57Å; W323-V336 WeakPolarHBondContact CA-O 3.48Å; E324-V336 PolarHBondContact N-O 3.39Å; E324-V336 PolarHBondContact O-N 3.26Å; R326-V336 HydrophobicContact CG-CG2 4.18Å; Y334-V336 HydrophobicContact CD2-CG2 3.75Å; Y334-V336 HydrophobicContact CE2-CG2 3.35Å; V336-T343 HydrophobicContact CB-CG2 4.4Å; V336-T343 HydrophobicContact CG1-CG2 4.21Å; V336-T343 HydrophobicContact CG2-CG2 3.91Å |
| 337 | D | 89.9 | Confident | 84.9 | Confident | 10 Ų | 10 | 69.4 Ų | 69.4 | 5% | 0.053 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 120 | 166.9 | 179.3 | 13.1 | 0 | 0 | 0 | 110.1 | W323 F339 T340 R341 T342 | W323-D337 HydrophobicContact CD2-CB 3.85Å; W323-D337 HydrophobicContact CE3-CB 4.02Å; W323-D337 HydrophobicContact CG-CB 4.49Å; W323-D337 HydrophobicContact CH2-CB 4Å; W323-D337 HydrophobicContact CZ2-CB 3.81Å; W323-D337 HydrophobicContact CZ3-CB 4.08Å; D337-F339 VanDerWaalsContact C-N 3.33Å; D337-F339 WeakPolarHBondContact OD1-CB 3.48Å; D337-F339 PolarHBondContact OD1-N 3.11Å; D337-T340 VanDerWaalsContact OD2-CB 3.3Å; D337-T340 WeakPolarHBondContact OD2-CB 3.37Å; D337-T340 VanDerWaalsContact OD2-CG2 3.3Å; D337-T340 WeakPolarHBondContact OD2-CG2 3.29Å; D337-T340 PolarHBondContact OD2-N 2.76Å; D337-T340 VanDerWaalsContact OD2-N 3.1Å; D337-T340 PolarHBondContact OD2-OG1 2.81Å; D337-R341 WeakPolarHBondContact O-CA 3.28Å; D337-R341 PolarHBondContact O-N 3.13Å; D337-T342 PolarHBondContact N-O 3.07Å |
| 338 | H | 87.6 | Confident | 85 | Confident | 68 Ų | 68 | 65.7 Ų | 65.7 | 32% | 0.315 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -21.2 | 177.8 | -74.8 | -86.8 | 0 | 0 | 0 | 113.9 | G322 E324 R326 | G322-H338 PolarHBondContact O-CD2 3.38Å; G322-H338 VanDerWaalsContact O-CD2 3.32Å; G322-H338 PolarHBondContact O-N 2.81Å; E324-H338 WeakPolarHBondContact CB-NE2 3.27Å; E324-H338 IonicContact OE2-CD2 3.3Å; E324-H338 IonicContact OE2-CE1 2.64Å; E324-H338 PolarHBondContact OE2-CE1 2.88Å; E324-H338 IonicContact OE2-NE2 3.78Å; E324-H338 PolarHBondContact OE2-NE2 3.12Å; R326-H338 PolarHBondContact NH2-CE1 2.83Å |
| 339 | F | 86.8 | Confident | 84.9 | Confident | 157 Ų | 157 | 66.8 Ų | 66.8 | 69% | 0.689 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -53.1 | 178.9 | -58.9 | -46 | 0 | 0 | 0 | 111.3 | P321 D337 | P321-F339 HydrophobicContact CB-CE2 4.46Å; D337-F339 VanDerWaalsContact C-N 3.33Å; D337-F339 WeakPolarHBondContact OD1-CB 3.48Å; D337-F339 PolarHBondContact OD1-N 3.11Å |
| 340 | T | 83.4 | Confident | 84.8 | Confident | 59 Ų | 59 | 64.1 Ų | 64.1 | 36% | 0.362 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -8.4 | -177.9 | 66.1 | 0 | 0 | 0 | 0 | 113.9 | D337 T342 | D337-T340 VanDerWaalsContact OD2-CB 3.3Å; D337-T340 WeakPolarHBondContact OD2-CB 3.37Å; D337-T340 VanDerWaalsContact OD2-CG2 3.3Å; D337-T340 WeakPolarHBondContact OD2-CG2 3.29Å; D337-T340 PolarHBondContact OD2-N 2.76Å; D337-T340 VanDerWaalsContact OD2-N 3.1Å; D337-T340 PolarHBondContact OD2-OG1 2.81Å; T340-T342 WeakPolarHBondContact CB-OG1 3.39Å; T340-T342 PolarHBondContact O-N 3.18Å; T340-T342 VanDerWaalsContact OG1-CB 3.24Å; T340-T342 WeakPolarHBondContact OG1-CB 3.42Å; T340-T342 PolarHBondContact OG1-N 3.16Å; T340-T342 PolarHBondContact OG1-OG1 3.2Å |
| 341 | R | 86.8 | Confident | 84.7 | Confident | 182 Ų | 182 | 63.6 Ų | 63.6 | 69% | 0.687 | 31% | 0.311 | S | S | * | . | trans | 60.4 | 20.5 | -170.8 | -53.4 | -59.1 | -171.9 | -178.6 | -1.9 | 113.5 | D337 | D337-R341 WeakPolarHBondContact O-CA 3.28Å; D337-R341 PolarHBondContact O-N 3.13Å | ||
| 342 | T | 85.1 | Confident | 84.8 | Confident | 19 Ų | 19 | 62.3 Ų | 62.3 | 12% | 0.117 | 29% | 0.293 | C | S | . | . | trans | -80 | 148.5 | 177.3 | -56.6 | 0 | 0 | 0 | 0 | 110.5 | D337 T340 Y356 M567 | D337-T342 PolarHBondContact N-O 3.07Å; T340-T342 WeakPolarHBondContact CB-OG1 3.39Å; T340-T342 PolarHBondContact O-N 3.18Å; T340-T342 VanDerWaalsContact OG1-CB 3.24Å; T340-T342 WeakPolarHBondContact OG1-CB 3.42Å; T340-T342 PolarHBondContact OG1-N 3.16Å; T340-T342 PolarHBondContact OG1-OG1 3.2Å; T342-Y356 HydrophobicContact CG2-CE1 4.37Å; T342-Y356 HydrophobicContact CG2-CE2 4.44Å; T342-Y356 PolarHBondContact OG1-OH 3.11Å; T342-Y356 VanDerWaalsContact OG1-OH 3.11Å; T342-M567 HydrophobicContact CG2-CB 4.03Å; T342-M567 HydrophobicContact CG2-CG 3.57Å; T342-M567 HydrophobicContact CG2-SD 4.03Å | ||
| 343 | T | 88.9 | Confident | 85.1 | Confident | 79 Ų | 79 | 59.6 Ų | 59.6 | 49% | 0.485 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 150.5 | 173.8 | 62.2 | 0 | 0 | 0 | 0 | 110.7 | Y335 V336 | Y335-T343 CarbonylContact O-C 3.53Å; Y335-T343 WeakPolarHBondContact O-CA 3.41Å; V336-T343 HydrophobicContact CB-CG2 4.4Å; V336-T343 HydrophobicContact CG1-CG2 4.21Å; V336-T343 HydrophobicContact CG2-CG2 3.91Å |
| 344 | T | 88.3 | Confident | 85.2 | Confident | 7 Ų | 7 | 65.3 Ų | 65.3 | 4% | 0.043 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 154.3 | 171.6 | -176.8 | 0 | 0 | 0 | 0 | 110.9 | W323 Y335 Q346 M567 | W323-T344 HydrophobicContact CH2-CG2 3.75Å; W323-T344 HydrophobicContact CZ3-CG2 3.63Å; Y335-T344 PolarHBondContact N-O 3.17Å; Y335-T344 PolarHBondContact O-N 3.17Å; T344-Q346 WeakPolarHBondContact CG2-O 3.28Å; T344-Q346 PolarHBondContact OG1-N 2.88Å; T344-M567 WeakPolarHBondContact CB-O 3.5Å; T344-M567 HydrophobicContact CG2-SD 3.78Å; T344-M567 PolarHBondContact OG1-O 3Å |
| 345 | W | 85.4 | Confident | 84.9 | Confident | 55 Ų | 55 | 66.3 Ų | 66.3 | 21% | 0.208 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -84.1 | -22.2 | 173.5 | -65.4 | 99.4 | 0 | 0 | 0 | 112.3 | R332 I333 I589 N590 P591 | R332-W345 HydrophobicContact CB-CH2 4.43Å; R332-W345 HydrophobicContact CB-CZ3 3.83Å; I333-W345 VanDerWaalsContact O-CE3 3.28Å; W345-I589 HydrophobicContact CB-CG1 4.44Å; W345-I589 VanDerWaalsContact CB-O 3.26Å; W345-I589 WeakPolarHBondContact CB-O 3.48Å; W345-N590 HydrophobicContact CG-CB 4.37Å; W345-P591 VanDerWaalsContact CD2-CD 3.49Å; W345-P591 HydrophobicContact CD2-CG 4.13Å; W345-P591 HydrophobicContact CE3-CG 4.3Å; W345-P591 HydrophobicContact CH2-CG 3.97Å; W345-P591 HydrophobicContact CZ2-CG 3.75Å; W345-P591 HydrophobicContact CZ3-CG 4.23Å |
| 346 | Q | 84 | Confident | 84.5 | Confident | 82 Ų | 82 | 66.7 Ų | 66.7 | 38% | 0.383 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -82.9 | 137.8 | 177.1 | -174.5 | 171.7 | 9 | 0 | 0 | 110.9 | Y335 T344 P348 C569 I589 | Y335-Q346 WeakPolarHBondContact CD2-O 3.22Å; T344-Q346 WeakPolarHBondContact CG2-O 3.28Å; T344-Q346 PolarHBondContact OG1-N 2.88Å; Q346-P348 VanDerWaalsContact O-CD 3.29Å; Q346-P348 WeakPolarHBondContact O-CD 3.37Å; Q346-P348 VanDerWaalsContact O-N 3.14Å; Q346-C569 VanDerWaalsContact CB-SG 3.56Å; Q346-I589 HydrophobicContact CB-CD1 3.85Å; Q346-I589 HydrophobicContact CB-CG2 4.45Å; Q346-I589 HydrophobicContact CG-CD1 3.98Å |
| 347 | R | 84 | Confident | 84.3 | Confident | 64 Ų | 64 | 71.8 Ų | 71.8 | 24% | 0.242 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 117.5 | 174.1 | -175.2 | 175.7 | -177.7 | -92.3 | -20.4 | 109.6 | E317 P318 L319 Y335 | E317-R347 PolarHBondContact O-NH2 3.21Å; P318-R347 PolarHBondContact O-NH2 3.47Å; L319-R347 HydrophobicContact CD2-CG 3.89Å; Y335-R347 HydrophobicContact CE1-CB 4.28Å; Y335-R347 HydrophobicContact CE1-CG 3.97Å; Y335-R347 VanDerWaalsContact CE2-CA 3.4Å; Y335-R347 HydrophobicContact CE2-CB 3.83Å; Y335-R347 HydrophobicContact CE2-CG 4.41Å |
| 348 | P | 84 | Confident | 83.8 | Confident | 3 Ų | 3 | 75.8 Ų | 75.8 | 2% | 0.019 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 136.7 | -177.7 | 29.4 | -36.9 | 0 | 0 | 0 | 110.4 | L319 P320 W323 Y335 Q346 S352 V353 | L319-P348 HydrophobicContact CD2-CG 4.06Å; P320-P348 VanDerWaalsContact CD-O 3.24Å; P320-P348 WeakPolarHBondContact CD-O 3.19Å; P320-P348 HydrophobicContact CG-CB 4.32Å; W323-P348 HydrophobicContact CB-CG 3.97Å; W323-P348 HydrophobicContact CD2-CB 3.75Å; W323-P348 HydrophobicContact CD2-CG 3.49Å; W323-P348 VanDerWaalsContact CD2-CG 3.49Å; W323-P348 HydrophobicContact CE3-CB 4.06Å; W323-P348 HydrophobicContact CE3-CG 3.58Å; W323-P348 HydrophobicContact CG-CB 4.14Å; W323-P348 HydrophobicContact CG-CG 3.7Å; W323-P348 HydrophobicContact CH2-CB 4.4Å; W323-P348 HydrophobicContact CZ2-CB 4.13Å; W323-P348 HydrophobicContact CZ3-CB 4.38Å; W323-P348 HydrophobicContact CZ3-CG 4.23Å; Y335-P348 HydrophobicContact CD1-CG 4.38Å; Y335-P348 VanDerWaalsContact CG-CD 3.45Å; Y335-P348 HydrophobicContact CG-CG 4.39Å; Q346-P348 VanDerWaalsContact O-CD 3.29Å; Q346-P348 WeakPolarHBondContact O-CD 3.37Å; Q346-P348 VanDerWaalsContact O-N 3.14Å; P348-S352 WeakPolarHBondContact CA-OG 3.32Å; P348-V353 HydrophobicContact CB-CG2 4.35Å |
| 349 | T | 83.3 | Confident | 83.4 | Confident | 52 Ų | 52 | 73.3 Ų | 73.3 | 32% | 0.319 | 35% | 0.345 | S | S | . | . | trans | -113.2 | 165.7 | 170.6 | 67.6 | 0 | 0 | 0 | 0 | 109.3 | E351 S352 V353 | T349-E351 PolarHBondContact O-N 2.79Å; T349-E351 PolarHBondContact OG1-N 3.34Å; T349-S352 PolarHBondContact N-OG 3.36Å; T349-S352 PolarHBondContact O-N 3.05Å; T349-S352 PolarHBondContact O-OG 3.48Å; T349-S352 VanDerWaalsContact O-OG 3.09Å; T349-S352 PolarHBondContact OG1-N 2.87Å; T349-V353 WeakPolarHBondContact O-CG2 3.35Å; T349-V353 PolarHBondContact O-N 2.91Å | ||
| 350 | L | 79 | Confident | 83.1 | Confident | 121 Ų | 121 | 69 Ų | 69 | 63% | 0.634 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -57.5 | -34.2 | 173.7 | -72.4 | 170.9 | 0 | 0 | 0 | 111.9 | P320 R354 | P320-L350 HydrophobicContact CB-CD2 4.3Å; L350-R354 WeakPolarHBondContact O-CB 3.33Å; L350-R354 PolarHBondContact O-N 2.8Å; L350-R354 VanDerWaalsContact O-N 3.1Å |
| 351 | E | 78.5 | Confident | 82.9 | Confident | 135 Ų | 135 | 71.1 Ų | 71.1 | 63% | 0.631 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -69.3 | -46.9 | 175.7 | -175.2 | 175.3 | -165.2 | 0 | 0 | 112.1 | T349 V353 R354 N355 | T349-E351 PolarHBondContact O-N 2.79Å; T349-E351 PolarHBondContact OG1-N 3.34Å; E351-V353 VanDerWaalsContact C-N 3.27Å; E351-V353 PolarHBondContact O-N 3.34Å; E351-R354 WeakPolarHBondContact O-CB 3.41Å; E351-R354 PolarHBondContact O-N 3.11Å; E351-N355 VanDerWaalsContact O-CG 3.29Å; E351-N355 PolarHBondContact O-N 2.67Å; E351-N355 PolarHBondContact O-OD1 2.94Å |
| 352 | S | 79.8 | Confident | 82.2 | Confident | 27 Ų | 27 | 67 Ų | 67 | 19% | 0.189 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.9 | -34.9 | 179.1 | 76.7 | 0 | 0 | 0 | 0 | 112 | P348 T349 Y356 | P348-S352 WeakPolarHBondContact CA-OG 3.32Å; T349-S352 PolarHBondContact N-OG 3.36Å; T349-S352 PolarHBondContact O-N 3.05Å; T349-S352 PolarHBondContact O-OG 3.48Å; T349-S352 VanDerWaalsContact O-OG 3.09Å; T349-S352 PolarHBondContact OG1-N 2.87Å; S352-Y356 WeakPolarHBondContact O-CB 3.48Å; S352-Y356 PolarHBondContact O-N 3.03Å |
| 353 | V | 84.8 | Confident | 81.8 | Confident | 24 Ų | 24 | 70.5 Ų | 70.5 | 15% | 0.145 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.8 | -46 | 174.1 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | P320 W323 P348 T349 E351 N355 Y356 E357 | P320-V353 HydrophobicContact CB-CG2 4.06Å; P320-V353 HydrophobicContact CG-CG2 3.97Å; W323-V353 HydrophobicContact CZ2-CG2 4.37Å; P348-V353 HydrophobicContact CB-CG2 4.35Å; T349-V353 WeakPolarHBondContact O-CG2 3.35Å; T349-V353 PolarHBondContact O-N 2.91Å; E351-V353 VanDerWaalsContact C-N 3.27Å; E351-V353 PolarHBondContact O-N 3.34Å; V353-N355 VanDerWaalsContact C-N 3.33Å; V353-N355 PolarHBondContact O-N 3.41Å; V353-Y356 WeakPolarHBondContact O-CB 3.5Å; V353-Y356 PolarHBondContact O-N 3.41Å; V353-E357 HydrophobicContact CG1-CG 4.47Å; V353-E357 WeakPolarHBondContact O-CG 3.41Å; V353-E357 PolarHBondContact O-N 3.27Å |
| 354 | R | 83.3 | Confident | 80.9 | Confident | 155 Ų | 155 | 70.7 Ų | 70.7 | 59% | 0.585 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -59.1 | -43.8 | 175.8 | -174 | -172.6 | -63.3 | 168.4 | 0.7 | 112.1 | L350 E351 Y356 E357 Q358 | L350-R354 WeakPolarHBondContact O-CB 3.33Å; L350-R354 PolarHBondContact O-N 2.8Å; L350-R354 VanDerWaalsContact O-N 3.1Å; E351-R354 WeakPolarHBondContact O-CB 3.41Å; E351-R354 PolarHBondContact O-N 3.11Å; R354-Y356 VanDerWaalsContact C-N 3.29Å; R354-Y356 PolarHBondContact O-N 2.84Å; R354-E357 PolarHBondContact O-N 3.09Å; R354-Q358 WeakPolarHBondContact O-CG 3.36Å; R354-Q358 PolarHBondContact O-N 3.19Å |
| 355 | N | 79.9 | Confident | 80.1 | Confident | 76 Ų | 76 | 75.6 Ų | 75.6 | 41% | 0.406 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.6 | -39.2 | 178.1 | -67.5 | -4.8 | 0 | 0 | 0 | 111.2 | E351 V353 Q358 W359 | E351-N355 VanDerWaalsContact O-CG 3.29Å; E351-N355 PolarHBondContact O-N 2.67Å; E351-N355 PolarHBondContact O-OD1 2.94Å; V353-N355 VanDerWaalsContact C-N 3.33Å; V353-N355 PolarHBondContact O-N 3.41Å; N355-Q358 PolarHBondContact O-N 2.91Å; N355-W359 WeakPolarHBondContact O-CB 3.48Å; N355-W359 PolarHBondContact O-N 3.31Å |
| 356 | Y | 82.6 | Confident | 79.4 | Confident | 18 Ų | 18 | 73.8 Ų | 73.8 | 7% | 0.071 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.7 | -42.5 | 175.2 | -178 | -111.2 | 0 | 0 | 0 | 113.1 | T342 S352 V353 R354 Q358 W359 Q360 N565 M567 | T342-Y356 HydrophobicContact CG2-CE1 4.37Å; T342-Y356 HydrophobicContact CG2-CE2 4.44Å; T342-Y356 PolarHBondContact OG1-OH 3.11Å; T342-Y356 VanDerWaalsContact OG1-OH 3.11Å; S352-Y356 WeakPolarHBondContact O-CB 3.48Å; S352-Y356 PolarHBondContact O-N 3.03Å; V353-Y356 WeakPolarHBondContact O-CB 3.5Å; V353-Y356 PolarHBondContact O-N 3.41Å; R354-Y356 VanDerWaalsContact C-N 3.29Å; R354-Y356 PolarHBondContact O-N 2.84Å; Y356-Q358 VanDerWaalsContact C-N 3.33Å; Y356-Q358 PolarHBondContact O-N 3.23Å; Y356-W359 HydrophobicContact CD2-CE3 4.32Å; Y356-W359 HydrophobicContact CE2-CE3 4.05Å; Y356-W359 HydrophobicContact CE2-CZ3 4.17Å; Y356-W359 PolarHBondContact O-N 3.17Å; Y356-Q360 HydrophobicContact CD1-CG 4.31Å; Y356-Q360 VanDerWaalsContact CE1-CD 3.48Å; Y356-Q360 HydrophobicContact CE1-CG 3.9Å; Y356-Q360 HydrophobicContact CE2-CG 4.23Å; Y356-Q360 WeakPolarHBondContact O-CG 3.49Å; Y356-Q360 PolarHBondContact O-N 3.2Å; Y356-Q360 PolarHBondContact OH-NE2 3.4Å; Y356-N565 WeakPolarHBondContact CE2-OD1 3.48Å; Y356-M567 HydrophobicContact CD1-CE 3.85Å; Y356-M567 HydrophobicContact CD2-CE 3.65Å; Y356-M567 HydrophobicContact CD2-CG 3.53Å; Y356-M567 HydrophobicContact CD2-SD 4.45Å; Y356-M567 HydrophobicContact CE2-CE 4.38Å; Y356-M567 HydrophobicContact CE2-CG 3.52Å; Y356-M567 HydrophobicContact CG-CE 3.34Å; Y356-M567 HydrophobicContact CG-CG 4.21Å |
| 357 | E | 83.9 | Confident | 78.5 | Confident | 114 Ų | 114 | 78.1 Ų | 78.1 | 53% | 0.533 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 175.3 | -72.6 | 174.1 | 172.5 | 0 | 0 | 111.7 | V353 R354 Q360 L361 | V353-E357 HydrophobicContact CG1-CG 4.47Å; V353-E357 WeakPolarHBondContact O-CG 3.41Å; V353-E357 PolarHBondContact O-N 3.27Å; R354-E357 PolarHBondContact O-N 3.09Å; E357-Q360 PolarHBondContact O-N 3.39Å; E357-L361 WeakPolarHBondContact O-CB 3.4Å; E357-L361 PolarHBondContact O-N 3.5Å |
| 358 | Q | 79.6 | Confident | 77.6 | Confident | 95 Ų | 95 | 77.2 Ų | 77.2 | 44% | 0.444 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 174.4 | -73.2 | -178.5 | -6.9 | 0 | 0 | 112 | R354 N355 Y356 Q360 L361 Q362 | R354-Q358 WeakPolarHBondContact O-CG 3.36Å; R354-Q358 PolarHBondContact O-N 3.19Å; N355-Q358 PolarHBondContact O-N 2.91Å; Y356-Q358 VanDerWaalsContact C-N 3.33Å; Y356-Q358 PolarHBondContact O-N 3.23Å; Q358-Q360 VanDerWaalsContact C-N 3.32Å; Q358-Q360 PolarHBondContact O-N 3.47Å; Q358-L361 PolarHBondContact O-N 3.49Å; Q358-Q362 PolarHBondContact O-N 2.87Å |
| 359 | W | 80.4 | Confident | 77.2 | Confident | 15 Ų | 15 | 77.3 Ų | 77.3 | 6% | 0.057 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.8 | -41.6 | 175.3 | 178.9 | 91.1 | 0 | 0 | 0 | 111.7 | N355 Y356 Q362 R363 H561 N565 P566 | N355-W359 WeakPolarHBondContact O-CB 3.48Å; N355-W359 PolarHBondContact O-N 3.31Å; Y356-W359 HydrophobicContact CD2-CE3 4.32Å; Y356-W359 HydrophobicContact CE2-CE3 4.05Å; Y356-W359 HydrophobicContact CE2-CZ3 4.17Å; Y356-W359 PolarHBondContact O-N 3.17Å; W359-Q362 PolarHBondContact O-N 3.24Å; W359-R363 WeakPolarHBondContact O-CB 3.46Å; W359-R363 PolarHBondContact O-N 3.21Å; W359-H561 WeakPolarHBondContact CZ2-O 3.44Å; W359-N565 HydrophobicContact CH2-CB 3.75Å; W359-N565 HydrophobicContact CZ2-CB 3.74Å; W359-N565 HydrophobicContact CZ3-CB 4.35Å; W359-P566 HydrophobicContact CB-CG 4.34Å; W359-P566 HydrophobicContact CG-CG 4.33Å |
| 360 | Q | 80.1 | Confident | 76.9 | Confident | 66 Ų | 66 | 76.3 Ų | 76.3 | 31% | 0.308 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 174.9 | -76.6 | -162.7 | -21.8 | 0 | 0 | 112.5 | Y356 E357 Q358 R363 S364 | Y356-Q360 HydrophobicContact CD1-CG 4.31Å; Y356-Q360 VanDerWaalsContact CE1-CD 3.48Å; Y356-Q360 HydrophobicContact CE1-CG 3.9Å; Y356-Q360 HydrophobicContact CE2-CG 4.23Å; Y356-Q360 WeakPolarHBondContact O-CG 3.49Å; Y356-Q360 PolarHBondContact O-N 3.2Å; Y356-Q360 PolarHBondContact OH-NE2 3.4Å; E357-Q360 PolarHBondContact O-N 3.39Å; Q358-Q360 VanDerWaalsContact C-N 3.32Å; Q358-Q360 PolarHBondContact O-N 3.47Å; Q360-R363 WeakPolarHBondContact O-CB 3.36Å; Q360-R363 PolarHBondContact O-N 3.07Å; Q360-S364 PolarHBondContact O-N 3.05Å |
| 361 | L | 78.6 | Confident | 76.7 | Confident | 105 Ų | 105 | 77.2 Ų | 77.2 | 55% | 0.55 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 176.4 | -176.2 | 66.7 | 0 | 0 | 0 | 110.8 | E357 Q358 R363 S364 Q365 | E357-L361 WeakPolarHBondContact O-CB 3.4Å; E357-L361 PolarHBondContact O-N 3.5Å; Q358-L361 PolarHBondContact O-N 3.49Å; L361-R363 VanDerWaalsContact C-N 3.29Å; L361-R363 PolarHBondContact O-N 3.49Å; L361-S364 WeakPolarHBondContact O-CB 3.34Å; L361-S364 PolarHBondContact O-N 3.23Å; L361-S364 VanDerWaalsContact O-N 3.15Å; L361-S364 PolarHBondContact O-OG 2.84Å; L361-Q365 PolarHBondContact O-N 3.12Å |
| 362 | Q | 73.6 | Confident | 76.6 | Confident | 94 Ų | 94 | 74.6 Ų | 74.6 | 44% | 0.439 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.4 | -42.7 | 174.2 | -171.2 | 177.9 | 16.7 | 0 | 0 | 111.2 | Q358 W359 S364 Q365 | Q358-Q362 PolarHBondContact O-N 2.87Å; W359-Q362 PolarHBondContact O-N 3.24Å; Q362-S364 VanDerWaalsContact C-N 3.3Å; Q362-S364 PolarHBondContact O-N 3Å; Q362-Q365 PolarHBondContact O-N 3.34Å; Q362-Q365 VanDerWaalsContact O-N 3.14Å |
| 363 | R | 74.9 | Confident | 76.6 | Confident | 94 Ų | 94 | 73.5 Ų | 73.5 | 36% | 0.355 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.9 | -36.9 | 175.6 | -171.9 | 178.1 | 174.7 | -116.5 | 1.4 | 112.6 | W359 Q360 L361 Q365 L366 E562 | W359-R363 WeakPolarHBondContact O-CB 3.46Å; W359-R363 PolarHBondContact O-N 3.21Å; Q360-R363 WeakPolarHBondContact O-CB 3.36Å; Q360-R363 PolarHBondContact O-N 3.07Å; L361-R363 VanDerWaalsContact C-N 3.29Å; L361-R363 PolarHBondContact O-N 3.49Å; R363-Q365 PolarHBondContact O-N 2.63Å; R363-L366 HydrophobicContact CB-CD1 4.25Å; R363-L366 HydrophobicContact CG-CD1 3.69Å; R363-L366 VanDerWaalsContact O-CB 3.28Å; R363-L366 WeakPolarHBondContact O-CB 3.5Å; R363-L366 WeakPolarHBondContact O-CD1 3.44Å; R363-L366 WeakPolarHBondContact O-CG 3.46Å; R363-L366 PolarHBondContact O-N 3.06Å; R363-E562 IonicContact CZ-OE1 3.03Å; R363-E562 IonicContact NE-OE1 3.84Å; R363-E562 PolarHBondContact NE-OE1 3.49Å; R363-E562 IonicContact NH2-OE1 2.74Å; R363-E562 PolarHBondContact NH2-OE1 2.85Å |
| 364 | S | 70.8 | Confident | 76.4 | Confident | 82 Ų | 82 | 75.8 Ų | 75.8 | 57% | 0.573 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.8 | -24.3 | 177.9 | 77.4 | 0 | 0 | 0 | 0 | 113.2 | Q360 L361 Q362 L366 | Q360-S364 PolarHBondContact O-N 3.05Å; L361-S364 WeakPolarHBondContact O-CB 3.34Å; L361-S364 PolarHBondContact O-N 3.23Å; L361-S364 VanDerWaalsContact O-N 3.15Å; L361-S364 PolarHBondContact O-OG 2.84Å; Q362-S364 VanDerWaalsContact C-N 3.3Å; Q362-S364 PolarHBondContact O-N 3Å; S364-L366 VanDerWaalsContact C-N 3.33Å |
| 365 | Q | 71.8 | Confident | 76.3 | Confident | 110 Ų | 110 | 75.4 Ų | 75.4 | 51% | 0.514 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -1.1 | 178.3 | -62.2 | 177.2 | 8.4 | 0 | 0 | 113.3 | L361 Q362 R363 Q367 G368 | L361-Q365 PolarHBondContact O-N 3.12Å; Q362-Q365 PolarHBondContact O-N 3.34Å; Q362-Q365 VanDerWaalsContact O-N 3.14Å; R363-Q365 PolarHBondContact O-N 2.63Å; Q365-Q367 PolarHBondContact O-N 2.8Å; Q365-Q367 VanDerWaalsContact O-N 3.09Å; Q365-G368 PolarHBondContact O-N 3.05Å; Q365-G368 VanDerWaalsContact O-N 3.12Å |
| 366 | L | 71.4 | Confident | 76.5 | Confident | 17 Ų | 17 | 73.2 Ų | 73.2 | 9% | 0.089 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.2 | -20.8 | -176.1 | -71.1 | 175.7 | 0 | 0 | 0 | 114.4 | R363 S364 G368 A369 M370 F557 H561 | R363-L366 HydrophobicContact CB-CD1 4.25Å; R363-L366 HydrophobicContact CG-CD1 3.69Å; R363-L366 VanDerWaalsContact O-CB 3.28Å; R363-L366 WeakPolarHBondContact O-CB 3.5Å; R363-L366 WeakPolarHBondContact O-CD1 3.44Å; R363-L366 WeakPolarHBondContact O-CG 3.46Å; R363-L366 PolarHBondContact O-N 3.06Å; S364-L366 VanDerWaalsContact C-N 3.33Å; L366-G368 VanDerWaalsContact C-N 3.26Å; L366-G368 PolarHBondContact O-N 3.04Å; L366-A369 HydrophobicContact CD2-CB 4.23Å; L366-A369 PolarHBondContact O-N 2.95Å; L366-M370 WeakPolarHBondContact O-CB 3.4Å; L366-M370 PolarHBondContact O-N 3.48Å; L366-F557 HydrophobicContact CB-CE1 4.13Å; L366-F557 HydrophobicContact CB-CZ 4.3Å; L366-F557 HydrophobicContact CD2-CE1 4.3Å; L366-F557 HydrophobicContact CD2-CZ 3.83Å; L366-H561 HydrophobicContact CD1-CB 4.15Å; L366-H561 VanDerWaalsContact CD2-NE2 3.29Å; L366-H561 WeakPolarHBondContact CD2-NE2 3.48Å |
| 367 | Q | 63.6 | Low | 76.2 | Confident | 174 Ų | 174 | 75 Ų | 75 | 81% | 0.813 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -64.8 | -32.5 | 177.7 | -152.3 | 169.1 | 19.1 | 0 | 0 | 112 | Q365 | Q365-Q367 PolarHBondContact O-N 2.8Å; Q365-Q367 VanDerWaalsContact O-N 3.09Å |
| 368 | G | 66.6 | Low | 75.7 | Confident | 44 Ų | 44 | 69.8 Ų | 69.8 | 45% | 0.454 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -75.8 | -38.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q365 L366 M370 Q371 | Q365-G368 PolarHBondContact O-N 3.05Å; Q365-G368 VanDerWaalsContact O-N 3.12Å; L366-G368 VanDerWaalsContact C-N 3.26Å; L366-G368 PolarHBondContact O-N 3.04Å; G368-M370 VanDerWaalsContact C-N 3.33Å; G368-M370 PolarHBondContact O-N 2.97Å; G368-Q371 PolarHBondContact O-N 2.99Å |
| 369 | A | 74 | Confident | 74.9 | Confident | 6 Ų | 6 | 68 Ų | 68 | 5% | 0.05 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.1 | -36.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | L366 Q371 Q372 F373 F557 L798 | L366-A369 HydrophobicContact CD2-CB 4.23Å; L366-A369 PolarHBondContact O-N 2.95Å; A369-Q371 PolarHBondContact O-N 2.67Å; A369-Q372 PolarHBondContact O-N 3.23Å; A369-F373 VanDerWaalsContact O-CB 3.28Å; A369-F373 WeakPolarHBondContact O-CB 3.39Å; A369-F373 PolarHBondContact O-N 3.26Å; A369-F557 HydrophobicContact CB-CZ 4.04Å; A369-L798 HydrophobicContact CB-CD1 4.05Å; A369-L798 HydrophobicContact CB-CD2 3.69Å; A369-L798 HydrophobicContact CB-CG 4.49Å |
| 370 | M | 78.8 | Confident | 73.6 | Confident | 30 Ų | 30 | 68.5 Ų | 68.5 | 15% | 0.148 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61 | -32.1 | -179.8 | -173.9 | 60.6 | -179.7 | 0 | 0 | 112.6 | L366 G368 F373 N374 E554 F557 | L366-M370 WeakPolarHBondContact O-CB 3.4Å; L366-M370 PolarHBondContact O-N 3.48Å; G368-M370 VanDerWaalsContact C-N 3.33Å; G368-M370 PolarHBondContact O-N 2.97Å; M370-F373 HydrophobicContact CE-CD1 4.48Å; M370-F373 HydrophobicContact SD-CD1 3.86Å; M370-N374 WeakPolarHBondContact O-CB 3.47Å; M370-N374 PolarHBondContact O-N 3.4Å; M370-N374 PolarHBondContact O-ND2 2.82Å; M370-N374 VanDerWaalsContact O-ND2 3.12Å; M370-E554 HydrophobicContact CE-CB 3.7Å; M370-E554 HydrophobicContact CE-CG 4.01Å; M370-F557 HydrophobicContact CB-CE1 4Å; M370-F557 HydrophobicContact CB-CZ 4.27Å; M370-F557 HydrophobicContact CG-CD1 4.48Å; M370-F557 HydrophobicContact CG-CE1 4.46Å; M370-F557 HydrophobicContact SD-CB 3.99Å; M370-F557 HydrophobicContact SD-CD1 3.42Å; M370-F557 WeakPolarHBondContact SD-CD1 3.38Å; M370-F557 HydrophobicContact SD-CD2 4.18Å; M370-F557 HydrophobicContact SD-CE1 3.87Å; M370-F557 HydrophobicContact SD-CG 3.59Å; M370-F557 VanDerWaalsContact SD-CG 3.59Å; M370-F557 HydrophobicContact SD-CZ 4.42Å |
| 371 | Q | 74.9 | Confident | 72.2 | Confident | 140 Ų | 140 | 67 Ų | 67 | 65% | 0.654 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -68.4 | -45.1 | 177.3 | -66.5 | -174.8 | 4.7 | 0 | 0 | 111.8 | G368 A369 N374 Q375 | G368-Q371 PolarHBondContact O-N 2.99Å; A369-Q371 PolarHBondContact O-N 2.67Å; Q371-N374 PolarHBondContact O-N 3.25Å; Q371-Q375 PolarHBondContact O-N 3.16Å |
| 372 | Q | 74.6 | Confident | 70.6 | Confident | 81 Ų | 81 | 69.4 Ų | 69.4 | 38% | 0.379 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.6 | -39.7 | 175.1 | -65.7 | -175.6 | -3.2 | 0 | 0 | 111.2 | A369 N374 Q375 L798 | A369-Q372 PolarHBondContact O-N 3.23Å; Q372-N374 VanDerWaalsContact C-N 3.3Å; Q372-N374 PolarHBondContact O-N 3.05Å; Q372-Q375 WeakPolarHBondContact O-CB 3.34Å; Q372-Q375 PolarHBondContact O-N 2.96Å; Q372-L798 PolarHBondContact NE2-O 2.69Å |
| 373 | F | 80.6 | Confident | 68.9 | Low | 3 Ų | 3 | 70.1 Ų | 70.1 | 1% | 0.013 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58 | -41.5 | 174.2 | 179.5 | -98 | 0 | 0 | 0 | 112.3 | A369 M370 Q375 R376 R553 F557 I613 D615 | A369-F373 VanDerWaalsContact O-CB 3.28Å; A369-F373 WeakPolarHBondContact O-CB 3.39Å; A369-F373 PolarHBondContact O-N 3.26Å; M370-F373 HydrophobicContact CE-CD1 4.48Å; M370-F373 HydrophobicContact SD-CD1 3.86Å; F373-Q375 PolarHBondContact O-N 2.85Å; F373-R376 VanDerWaalsContact O-CB 3.3Å; F373-R376 WeakPolarHBondContact O-CB 3.45Å; F373-R376 PolarHBondContact O-N 2.7Å; F373-R553 HydrophobicContact CE1-CG 3.93Å; F373-F557 HydrophobicContact CB-CD2 4Å; F373-F557 HydrophobicContact CB-CE2 3.87Å; F373-F557 HydrophobicContact CD1-CB 4.06Å; F373-F557 AromaticContact CD1-CD2 3.62Å; F373-F557 HydrophobicContact CD1-CD2 3.62Å; F373-F557 HydrophobicContact CD1-CE2 4.35Å; F373-F557 HydrophobicContact CD1-CG 4.04Å; F373-F557 AromaticContact CD2-CD2 3.55Å; F373-F557 HydrophobicContact CD2-CD2 3.55Å; F373-F557 AromaticContact CD2-CE2 3.97Å; F373-F557 HydrophobicContact CD2-CE2 3.97Å; F373-F557 HydrophobicContact CE1-CB 3.68Å; F373-F557 AromaticContact CE1-CD2 3.89Å; F373-F557 HydrophobicContact CE1-CD2 3.89Å; F373-F557 HydrophobicContact CE1-CG 4.13Å; F373-F557 AromaticContact CE2-CD2 3.81Å; F373-F557 HydrophobicContact CE2-CD2 3.81Å; F373-F557 AromaticContact CG-CD2 3.43Å; F373-F557 HydrophobicContact CG-CD2 3.43Å; F373-F557 VanDerWaalsContact CG-CD2 3.43Å; F373-F557 AromaticContact CG-CE2 3.8Å; F373-F557 HydrophobicContact CG-CE2 3.8Å; F373-F557 HydrophobicContact CG-CG 4.29Å; F373-F557 HydrophobicContact CZ-CB 3.97Å; F373-F557 AromaticContact CZ-CD2 3.97Å; F373-F557 HydrophobicContact CZ-CD2 3.97Å; F373-F557 HydrophobicContact CZ-CG 4.45Å; F373-I613 HydrophobicContact CE2-CB 4.23Å; F373-I613 HydrophobicContact CE2-CG2 3.58Å; F373-I613 HydrophobicContact CZ-CB 3.93Å; F373-I613 HydrophobicContact CZ-CG2 3.81Å; F373-I613 WeakPolarHBondContact CZ-O 3.23Å; F373-D615 HydrophobicContact CD2-CB 3.91Å; F373-D615 HydrophobicContact CE2-CB 3.87Å |
| 374 | N | 80.9 | Confident | 67.3 | Low | 72 Ų | 72 | 70.1 Ų | 70.1 | 39% | 0.385 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.3 | -19.1 | 176.7 | -80.2 | -34.2 | 0 | 0 | 0 | 114 | M370 Q371 Q372 R376 R553 | M370-N374 WeakPolarHBondContact O-CB 3.47Å; M370-N374 PolarHBondContact O-N 3.4Å; M370-N374 PolarHBondContact O-ND2 2.82Å; M370-N374 VanDerWaalsContact O-ND2 3.12Å; Q371-N374 PolarHBondContact O-N 3.25Å; Q372-N374 VanDerWaalsContact C-N 3.3Å; Q372-N374 PolarHBondContact O-N 3.05Å; N374-R376 VanDerWaalsContact C-N 3.3Å; N374-R553 VanDerWaalsContact OD1-CD 3.27Å; N374-R553 WeakPolarHBondContact OD1-CD 3.37Å |
| 375 | Q | 80.2 | Confident | 65.8 | Low | 147 Ų | 147 | 72.2 Ų | 72.2 | 69% | 0.687 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -80.2 | -14.7 | 173.1 | -62.3 | 174.7 | 23 | 0 | 0 | 112.1 | Q371 Q372 F373 | Q371-Q375 PolarHBondContact O-N 3.16Å; Q372-Q375 WeakPolarHBondContact O-CB 3.34Å; Q372-Q375 PolarHBondContact O-N 2.96Å; F373-Q375 PolarHBondContact O-N 2.85Å |
| 376 | R | 83.8 | Confident | 63.8 | Low | 30 Ų | 30 | 70.7 Ų | 70.7 | 11% | 0.113 | 37% | 0.368 | C | S | . | . | trans | -70.5 | 144.7 | 176.4 | -58.6 | -170.1 | -172.4 | 154.5 | 8.6 | 111 | F373 N374 I613 D615 C742 M744 Q745 | F373-R376 VanDerWaalsContact O-CB 3.3Å; F373-R376 WeakPolarHBondContact O-CB 3.45Å; F373-R376 PolarHBondContact O-N 2.7Å; N374-R376 VanDerWaalsContact C-N 3.3Å; R376-I613 HydrophobicContact CB-CD1 4.09Å; R376-D615 IonicContact CZ-OD1 2.71Å; R376-D615 VanDerWaalsContact CZ-OD1 3.28Å; R376-D615 IonicContact NH1-OD1 3.15Å; R376-D615 PolarHBondContact NH1-OD1 3.48Å; R376-D615 IonicContact NH2-OD1 2.75Å; R376-D615 PolarHBondContact NH2-OD1 2.63Å; R376-C742 VanDerWaalsContact CD-O 3.23Å; R376-C742 WeakPolarHBondContact CD-O 3.38Å; R376-C742 PolarHBondContact NH1-O 3.03Å; R376-M744 CarbonylContact C-O 3.58Å; R376-M744 WeakPolarHBondContact CA-O 3.47Å; R376-M744 WeakPolarHBondContact CB-O 3.41Å; R376-Q745 HydrophobicContact CG-CB 4.38Å | ||
| 377 | F | 76.6 | Confident | 61.9 | Low | 55 Ų | 55 | 73.6 Ų | 73.6 | 24% | 0.241 | 39% | 0.386 | C | S | . | . | B | Isolated β-bridge | trans | -139.9 | 165.7 | -177.7 | 65 | -89.6 | 0 | 0 | 0 | 112 | M744 E746 | F377-M744 HydrophobicContact CD2-CB 4.33Å; F377-M744 HydrophobicContact CE1-CB 4.44Å; F377-M744 HydrophobicContact CE2-CB 4.06Å; F377-M744 HydrophobicContact CE2-SD 4.17Å; F377-M744 HydrophobicContact CZ-CB 4.12Å; F377-M744 PolarHBondContact N-O 2.73Å; F377-M744 WeakPolarHBondContact O-CA 3.22Å; F377-M744 WeakPolarHBondContact O-CB 3.46Å; F377-M744 PolarHBondContact O-N 2.95Å; F377-E746 HydrophobicContact CE1-CG 4.2Å |
| 378 | I | 74.2 | Confident | 60.4 | Low | 5 Ų | 5 | 70.5 Ų | 70.5 | 3% | 0.026 | 38% | 0.384 | C | S | . | . | trans | -127.6 | 141.8 | 169 | -62.7 | 167.6 | 0 | 0 | 0 | 106.5 | G380 N381 V491 I613 L740 | I378-G380 PolarHBondContact O-N 3.25Å; I378-N381 PolarHBondContact O-N 3.1Å; I378-V491 HydrophobicContact CG2-CG1 3.9Å; I378-I613 HydrophobicContact CD1-CD1 4.27Å; I378-I613 HydrophobicContact CD1-CG1 3.65Å; I378-I613 HydrophobicContact CG1-CD1 4.11Å; I378-I613 HydrophobicContact CG1-CG1 4.04Å; I378-L740 HydrophobicContact CD1-CD1 4.5Å; I378-L740 WeakPolarHBondContact CD1-O 3.39Å; I378-L740 HydrophobicContact CG2-CD1 4.18Å | ||
| 379 | Y | 63 | Low | 58.7 | Low | 59 Ų | 59 | 77.1 Ų | 77.1 | 23% | 0.231 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 138.8 | 173.6 | -71 | -62.6 | 0 | 0 | 0 | 111.6 | N381 F487 K488 V491 M744 | Y379-N381 VanDerWaalsContact C-N 3.31Å; Y379-N381 PolarHBondContact O-N 3.39Å; Y379-F487 HydrophobicContact CD2-CD1 4.44Å; Y379-K488 HydrophobicContact CD1-CD 4.39Å; Y379-K488 HydrophobicContact CD2-CB 4.28Å; Y379-K488 HydrophobicContact CD2-CG 4.5Å; Y379-K488 HydrophobicContact CG-CB 4.46Å; Y379-K488 HydrophobicContact CG-CD 4.44Å; Y379-K488 HydrophobicContact CG-CG 4.18Å; Y379-V491 WeakPolarHBondContact O-CG1 3.26Å; Y379-M744 HydrophobicContact CD2-CE 4.48Å; Y379-M744 HydrophobicContact CD2-SD 3.56Å; Y379-M744 VanDerWaalsContact CD2-SD 3.56Å; Y379-M744 HydrophobicContact CE2-CE 3.67Å; Y379-M744 HydrophobicContact CE2-SD 3.31Å; Y379-M744 WeakPolarHBondContact CE2-SD 3.2Å; Y379-M744 HydrophobicContact CG-SD 4.4Å |
| 380 | G | 52.6 | Low | 56.6 | Low | 25 Ų | 25 | 81.3 Ų | 81.3 | 26% | 0.258 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | -7.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | I378 | I378-G380 PolarHBondContact O-N 3.25Š|
| 381 | N | 51.2 | Low | 54.4 | Low | 33 Ų | 33 | 89.6 Ų | 89.6 | 18% | 0.176 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -81.4 | -24.6 | 175.2 | -109.5 | 10.3 | 0 | 0 | 0 | 113.5 | I378 Y379 G611 | I378-N381 PolarHBondContact O-N 3.1Å; Y379-N381 VanDerWaalsContact C-N 3.31Å; Y379-N381 PolarHBondContact O-N 3.39Å; N381-G611 PolarHBondContact ND2-O 3.1Å |
| 382 | Q | 44.3 | Very low | 52.7 | Low | 157 Ų | 157 | 90.3 Ų | 90.3 | 73% | 0.734 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -68.7 | -33.6 | 178.5 | -91.6 | 177.4 | -12.1 | 0 | 0 | 112.6 | L384 | Q382-L384 VanDerWaalsContact C-N 3.32Å; Q382-L384 PolarHBondContact O-N 3.33Å |
| 383 | D | 38.1 | Very low | 50.9 | Low | 109 Ų | 109 | 95.1 Ų | 95.1 | 58% | 0.583 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -75.1 | -19 | -179.5 | -64.8 | -41.4 | 0 | 0 | 0 | 113.1 | T387 | D383-T387 WeakPolarHBondContact O-CB 3.49Å; D383-T387 PolarHBondContact O-N 2.93Å; D383-T387 PolarHBondContact O-OG1 3.17Å |
| 384 | L | 40.5 | Very low | 49.4 | Very low | 94 Ų | 94 | 97.3 Ų | 97.3 | 49% | 0.492 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -77.5 | -26.6 | -179.4 | -71.2 | 166.8 | 0 | 0 | 0 | 113.5 | Q382 | Q382-L384 VanDerWaalsContact C-N 3.32Å; Q382-L384 PolarHBondContact O-N 3.33Å |
| 385 | F | 39.4 | Very low | 47.7 | Very low | 125 Ų | 125 | 96.7 Ų | 96.7 | 55% | 0.548 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -96.4 | -20.1 | 179.2 | -69.6 | -81.9 | 0 | 0 | 0 | 113.3 | ||
| 386 | A | 30.1 | Very low | 46.2 | Very low | 78 Ų | 78 | 91.2 Ų | 91.2 | 65% | 0.645 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -90.6 | -25.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S388 | A386-S388 VanDerWaalsContact C-N 3.29Å; A386-S388 PolarHBondContact O-N 2.88Å |
| 387 | T | 31.7 | Very low | 44.8 | Very low | 78 Ų | 78 | 90.4 Ų | 90.4 | 48% | 0.479 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 47.7 | -168.1 | -34.3 | 0 | 0 | 0 | 0 | 113.6 | D383 Q389 | D383-T387 WeakPolarHBondContact O-CB 3.49Å; D383-T387 PolarHBondContact O-N 2.93Å; D383-T387 PolarHBondContact O-OG1 3.17Å; T387-Q389 VanDerWaalsContact C-N 3.27Å |
| 388 | S | 32.8 | Very low | 43.9 | Very low | 110 Ų | 110 | 93.1 Ų | 93.1 | 77% | 0.769 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -13 | 164.4 | -61.4 | 0 | 0 | 0 | 0 | 112.4 | A386 | A386-S388 VanDerWaalsContact C-N 3.29Å; A386-S388 PolarHBondContact O-N 2.88Å |
| 389 | Q | 30.9 | Very low | 43.6 | Very low | 182 Ų | 182 | 94.6 Ų | 94.6 | 85% | 0.85 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -156.1 | 86.5 | 177.4 | -66.5 | -174 | -9.6 | 0 | 0 | 112.1 | T387 | T387-Q389 VanDerWaalsContact C-N 3.27Š|
| 390 | S | 30 | Very low | 44 | Very low | 95 Ų | 95 | 94.1 Ų | 94.1 | 66% | 0.664 | 51% | 0.513 | S | S | * | . | S | Bend | trans | 163.7 | 123 | 141.2 | 56.8 | 0 | 0 | 0 | 0 | 113.4 | ||
| 391 | K | 32.6 | Very low | 44.5 | Very low | 204 Ų | 204 | 98.5 Ų | 98.5 | 89% | 0.887 | 54% | 0.538 | S | S | * | . | trans | 48.7 | 109.8 | 166.5 | -71.6 | -174.1 | 177 | -178.7 | 0 | 118.2 | F393 | K391-F393 PolarHBondContact O-N 3.09Š| ||
| 392 | E | 39.1 | Very low | 45.4 | Very low | 154 Ų | 154 | 98.2 Ų | 98.2 | 72% | 0.72 | 54% | 0.542 | S | S | * | . | trans | -50 | 110.8 | 174.4 | -70.8 | -179.3 | 129.7 | 0 | 0 | 112.6 | K405 | E392-K405 IonicContact OE1-NZ 3.88Å; E392-K405 PolarHBondContact OE1-NZ 2.91Å | ||
| 393 | F | 36.5 | Very low | 47 | Very low | 182 Ų | 182 | 93 Ų | 93 | 80% | 0.798 | 52% | 0.516 | S | S | * | . | trans | -84.3 | 108.1 | 150.4 | -178.6 | -98.3 | 0 | 0 | 0 | 106.8 | K391 P395 | K391-F393 PolarHBondContact O-N 3.09Å; F393-P395 HydrophobicContact CE1-CB 4.4Å; F393-P395 WeakPolarHBondContact O-CD 3.5Å | ||
| 394 | D | 48.3 | Very low | 49 | Very low | 49 Ų | 49 | 91.2 Ų | 91.2 | 26% | 0.262 | 50% | 0.504 | S | S | . | . | trans | -93.2 | 109.2 | 176 | -169.1 | -22.2 | 0 | 0 | 0 | 109 | L396 G397 R429 | D394-L396 PolarHBondContact O-N 3.48Å; D394-L396 VanDerWaalsContact O-N 3.08Å; D394-L396 PolarHBondContact OD1-N 2.94Å; D394-G397 PolarHBondContact O-N 3.28Å; D394-G397 VanDerWaalsContact O-N 3.08Å; D394-R429 IonicContact OD1-CZ 2.7Å; D394-R429 IonicContact OD1-NH1 2.64Å; D394-R429 PolarHBondContact OD1-NH1 2.64Å; D394-R429 IonicContact OD1-NH2 3.28Å; D394-R429 PolarHBondContact OD1-NH2 2.73Å; D394-R429 IonicContact OD2-CZ 3.46Å; D394-R429 VanDerWaalsContact OD2-CZ 3.23Å; D394-R429 IonicContact OD2-NH1 3.03Å; D394-R429 PolarHBondContact OD2-NH1 2.98Å; D394-R429 IonicContact OD2-NH2 3.15Å; D394-R429 PolarHBondContact OD2-NH2 2.83Å | ||
| 395 | P | 44.9 | Very low | 50.9 | Low | 59 Ų | 59 | 90.6 Ų | 90.6 | 38% | 0.383 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -9.8 | -174.8 | 27.1 | -34.5 | 0 | 0 | 0 | 113.9 | F393 F496 | F393-P395 HydrophobicContact CE1-CB 4.4Å; F393-P395 WeakPolarHBondContact O-CD 3.5Å; P395-F496 HydrophobicContact CB-CD2 4.27Å; P395-F496 HydrophobicContact CG-CD2 3.83Å; P395-F496 HydrophobicContact CG-CE2 4.07Å |
| 396 | L | 49.3 | Very low | 52.9 | Low | 32 Ų | 32 | 89.1 Ų | 89.1 | 17% | 0.168 | 49% | 0.488 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 11.4 | 175.3 | -66.6 | 173.6 | 0 | 0 | 0 | 113.2 | D394 R429 F496 | D394-L396 PolarHBondContact O-N 3.48Å; D394-L396 VanDerWaalsContact O-N 3.08Å; D394-L396 PolarHBondContact OD1-N 2.94Å; L396-R429 HydrophobicContact CD1-CB 4.42Å; L396-F496 HydrophobicContact CD1-CE2 4.46Å; L396-F496 HydrophobicContact CD1-CZ 4.33Å; L396-F496 HydrophobicContact CD2-CE2 4.28Å; L396-F496 HydrophobicContact CD2-CZ 3.85Å; L396-F496 HydrophobicContact CG-CE2 4.17Å; L396-F496 HydrophobicContact CG-CZ 4.16Å |
| 397 | G | 53.7 | Low | 55.2 | Low | 13 Ų | 13 | 89.4 Ų | 89.4 | 13% | 0.134 | 48% | 0.482 | C | S | . | . | trans | 73.1 | -170.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D394 R429 | D394-G397 PolarHBondContact O-N 3.28Å; D394-G397 VanDerWaalsContact O-N 3.08Å; G397-R429 PolarHBondContact O-NH1 3.4Å | ||
| 398 | P | 58.3 | Low | 57.2 | Low | 112 Ų | 112 | 87.5 Ų | 87.5 | 73% | 0.727 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -67.5 | 148.7 | 176 | 28.1 | -33.2 | 0 | 0 | 0 | 111.5 | ||
| 399 | L | 68.1 | Low | 58.7 | Low | 37 Ų | 37 | 88 Ų | 88 | 19% | 0.194 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 146.9 | 171.1 | -79.7 | 172.4 | 0 | 0 | 0 | 110.9 | W403 K405 F415 P428 R429 | L399-W403 HydrophobicContact CB-CB 4.03Å; L399-W403 HydrophobicContact CD1-CB 4.4Å; L399-W403 HydrophobicContact CD2-CB 4.45Å; L399-K405 HydrophobicContact CD1-CB 3.86Å; L399-K405 VanDerWaalsContact CD1-N 3.33Å; L399-F415 HydrophobicContact CD1-CD1 4.19Å; L399-F415 HydrophobicContact CD1-CE1 4.47Å; L399-F415 HydrophobicContact CD2-CD1 3.9Å; L399-F415 HydrophobicContact CD2-CE1 3.98Å; L399-P428 HydrophobicContact CD2-CG 3.73Å; L399-R429 HydrophobicContact CD2-CG 4.43Å |
| 400 | P | 71.7 | Confident | 60.4 | Low | 48 Ų | 48 | 85.2 Ų | 85.2 | 31% | 0.312 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -56 | 150.3 | 177.1 | -21.7 | 31.1 | 0 | 0 | 0 | 111.6 | G402 W403 R429 | P400-G402 PolarHBondContact O-N 3.13Å; P400-W403 WeakPolarHBondContact O-CB 3.4Å; P400-W403 PolarHBondContact O-N 3.09Å; P400-R429 HydrophobicContact CG-CG 4.24Å |
| 401 | P | 63.4 | Low | 61.7 | Low | 118 Ų | 118 | 83.3 Ų | 83.3 | 77% | 0.766 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 125.6 | -176.7 | -27.5 | 34.6 | 0 | 0 | 0 | 112.8 | N419 | P401-N419 PolarHBondContact O-ND2 3.1Š|
| 402 | G | 69.8 | Low | 63.2 | Low | 26 Ų | 26 | 81.3 Ų | 81.3 | 27% | 0.268 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | 0.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | P400 N417 H418 | P400-G402 PolarHBondContact O-N 3.13Å; G402-N417 CarbonylContact O-C 3.54Å; G402-N417 WeakPolarHBondContact O-CA 3.5Å; G402-H418 WeakPolarHBondContact O-CB 3.43Å; G402-H418 PolarHBondContact O-CD2 3.26Å; G402-H418 PolarHBondContact O-N 3.22Å |
| 403 | W | 78.2 | Confident | 64.9 | Low | 49 Ų | 49 | 76.7 Ų | 76.7 | 19% | 0.186 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 140.3 | 172.5 | -70.5 | 85.1 | 0 | 0 | 0 | 112.3 | L399 P400 F415 V416 N417 Q424 P428 | L399-W403 HydrophobicContact CB-CB 4.03Å; L399-W403 HydrophobicContact CD1-CB 4.4Å; L399-W403 HydrophobicContact CD2-CB 4.45Å; P400-W403 WeakPolarHBondContact O-CB 3.4Å; P400-W403 PolarHBondContact O-N 3.09Å; W403-F415 HydrophobicContact CE3-CB 4Å; W403-F415 HydrophobicContact CZ3-CB 4.11Å; W403-V416 CarbonylContact C-O 3.55Å; W403-V416 VanDerWaalsContact CA-O 3.29Å; W403-V416 WeakPolarHBondContact CA-O 3.5Å; W403-N417 HydrophobicContact CD2-CB 3.76Å; W403-N417 HydrophobicContact CE3-CB 3.73Å; W403-N417 HydrophobicContact CH2-CB 3.7Å; W403-N417 HydrophobicContact CZ2-CB 3.75Å; W403-N417 WeakPolarHBondContact CZ2-ND2 3.29Å; W403-N417 HydrophobicContact CZ3-CB 3.7Å; W403-N417 PolarHBondContact NE1-ND2 3.29Å; W403-Q424 VanDerWaalsContact CH2-CD 3.46Å; W403-Q424 HydrophobicContact CH2-CG 4.07Å; W403-Q424 HydrophobicContact CZ3-CG 3.73Å; W403-P428 HydrophobicContact CB-CG 4.25Å; W403-P428 HydrophobicContact CD2-CB 3.58Å; W403-P428 HydrophobicContact CD2-CG 3.53Å; W403-P428 HydrophobicContact CE3-CB 3.75Å; W403-P428 HydrophobicContact CE3-CG 3.54Å; W403-P428 HydrophobicContact CG-CB 4.22Å; W403-P428 HydrophobicContact CG-CG 3.89Å; W403-P428 HydrophobicContact CH2-CB 3.83Å; W403-P428 HydrophobicContact CZ2-CB 3.65Å; W403-P428 HydrophobicContact CZ2-CG 4.5Å; W403-P428 HydrophobicContact CZ3-CB 3.87Å; W403-P428 HydrophobicContact CZ3-CG 4.06Å |
| 404 | E | 80.6 | Confident | 67 | Low | 70 Ų | 70 | 70.6 Ų | 70.6 | 33% | 0.327 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 129.8 | 177.7 | -173.7 | -168.4 | 155 | 0 | 0 | 110.2 | R406 F415 V416 H418 | E404-R406 VanDerWaalsContact CD-NE 3.27Å; E404-R406 HydrophobicContact CG-CG 4.27Å; E404-R406 IonicContact OE1-CZ 3.55Å; E404-R406 IonicContact OE1-NE 2.69Å; E404-R406 PolarHBondContact OE1-NE 3.47Å; E404-R406 IonicContact OE1-NH2 3.19Å; E404-R406 PolarHBondContact OE1-NH2 3.48Å; E404-R406 IonicContact OE2-CZ 3.3Å; E404-R406 IonicContact OE2-NE 3.94Å; E404-R406 PolarHBondContact OE2-NE 3.5Å; E404-R406 IonicContact OE2-NH2 2.79Å; E404-R406 PolarHBondContact OE2-NH2 3.33Å; E404-F415 WeakPolarHBondContact O-CA 3.41Å; E404-V416 PolarHBondContact N-O 3.19Å; E404-V416 PolarHBondContact O-N 2.95Å; E404-H418 VanDerWaalsContact CB-NE2 3.3Å; E404-H418 WeakPolarHBondContact CB-NE2 3.36Å; E404-H418 IonicContact OE2-CD2 2.78Å; E404-H418 IonicContact OE2-CE1 3Å; E404-H418 PolarHBondContact OE2-CE1 3.34Å; E404-H418 IonicContact OE2-NE2 3.32Å; E404-H418 PolarHBondContact OE2-NE2 2.96Å |
| 405 | K | 80.5 | Confident | 68.8 | Low | 81 Ų | 81 | 68.9 Ų | 68.9 | 35% | 0.352 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 125.7 | 171.3 | -176.3 | -177.3 | 173.6 | -168.9 | 0 | 109.1 | E392 L399 V413 F415 | E392-K405 IonicContact OE1-NZ 3.88Å; E392-K405 PolarHBondContact OE1-NZ 2.91Å; L399-K405 HydrophobicContact CD1-CB 3.86Å; L399-K405 VanDerWaalsContact CD1-N 3.33Å; K405-V413 HydrophobicContact CD-CG1 4.15Å; K405-V413 HydrophobicContact CG-CG1 3.56Å; K405-F415 HydrophobicContact CB-CD1 4.25Å; K405-F415 HydrophobicContact CB-CE1 4.14Å; K405-F415 HydrophobicContact CD-CE1 4.49Å; K405-F415 HydrophobicContact CG-CD1 4.48Å; K405-F415 HydrophobicContact CG-CE1 4.03Å |
| 406 | R | 79.6 | Confident | 70.6 | Confident | 95 Ų | 95 | 66.8 Ų | 66.8 | 36% | 0.358 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 161.5 | 174 | -69.1 | -164.4 | -179.4 | 165.2 | 8.4 | 110.9 | E404 V413 Y414 V416 | E404-R406 VanDerWaalsContact CD-NE 3.27Å; E404-R406 HydrophobicContact CG-CG 4.27Å; E404-R406 IonicContact OE1-CZ 3.55Å; E404-R406 IonicContact OE1-NE 2.69Å; E404-R406 PolarHBondContact OE1-NE 3.47Å; E404-R406 IonicContact OE1-NH2 3.19Å; E404-R406 PolarHBondContact OE1-NH2 3.48Å; E404-R406 IonicContact OE2-CZ 3.3Å; E404-R406 IonicContact OE2-NE 3.94Å; E404-R406 PolarHBondContact OE2-NE 3.5Å; E404-R406 IonicContact OE2-NH2 2.79Å; E404-R406 PolarHBondContact OE2-NH2 3.33Å; R406-V413 CarbonylContact O-C 3.49Å; R406-V413 WeakPolarHBondContact O-CA 3.42Å; R406-Y414 HydrophobicContact CB-CD1 4.03Å; R406-Y414 HydrophobicContact CB-CD2 4.47Å; R406-Y414 HydrophobicContact CB-CE1 3.47Å; R406-Y414 VanDerWaalsContact CB-CE1 3.47Å; R406-Y414 HydrophobicContact CB-CE2 4Å; R406-Y414 HydrophobicContact CB-CG 4.49Å; R406-Y414 VanDerWaalsContact CB-CZ 3.45Å; R406-Y414 WeakPolarHBondContact CD-OH 3.38Å; R406-Y414 PolarHBondContact N-O 2.89Å; R406-Y414 PolarHBondContact O-N 3.11Å; R406-Y414 VanDerWaalsContact O-O 3.04Å; R406-V416 HydrophobicContact CG-CG2 4.14Å |
| 407 | T | 78.3 | Confident | 72.3 | Confident | 84 Ų | 84 | 65.9 Ų | 65.9 | 52% | 0.515 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 132.3 | 175.6 | -50.7 | 0 | 0 | 0 | 0 | 108.5 | G411 R412 | T407-G411 VanDerWaalsContact CG2-CA 3.48Å; T407-R412 CarbonylContact C-O 3.56Å; T407-R412 WeakPolarHBondContact CA-O 3.41Å |
| 408 | D | 74.6 | Confident | 73.3 | Confident | 37 Ų | 37 | 69.6 Ų | 69.6 | 20% | 0.198 | 39% | 0.385 | C | S | . | . | trans | -75.3 | 174.7 | 176.2 | 77.5 | 1.4 | 0 | 0 | 0 | 111.9 | N410 G411 R412 Y414 | D408-N410 PolarHBondContact O-N 3.28Å; D408-N410 VanDerWaalsContact O-N 3.08Å; D408-N410 VanDerWaalsContact OD1-C 3.26Å; D408-N410 VanDerWaalsContact OD1-CA 3.28Å; D408-N410 WeakPolarHBondContact OD1-CA 3.5Å; D408-N410 WeakPolarHBondContact OD1-CB 3.46Å; D408-N410 PolarHBondContact OD1-N 3.12Å; D408-G411 PolarHBondContact O-N 3.32Å; D408-G411 PolarHBondContact OD1-N 3.1Å; D408-R412 PolarHBondContact N-O 2.92Å; D408-R412 WeakPolarHBondContact OD1-CB 3.5Å; D408-R412 PolarHBondContact OD1-N 3.42Å; D408-Y414 HydrophobicContact CB-CD1 4.4Å; D408-Y414 HydrophobicContact CB-CE1 4.33Å | ||
| 409 | S | 64.6 | Low | 74.1 | Confident | 121 Ų | 121 | 70 Ų | 70 | 85% | 0.846 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -11.1 | 178 | 53.6 | 0 | 0 | 0 | 0 | 114.3 | ||
| 410 | N | 66.3 | Low | 74.7 | Confident | 123 Ų | 123 | 72.1 Ų | 72.1 | 66% | 0.658 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | 6 | 177.4 | -61.1 | -30.8 | 0 | 0 | 0 | 112.6 | D408 R412 | D408-N410 PolarHBondContact O-N 3.28Å; D408-N410 VanDerWaalsContact O-N 3.08Å; D408-N410 VanDerWaalsContact OD1-C 3.26Å; D408-N410 VanDerWaalsContact OD1-CA 3.28Å; D408-N410 WeakPolarHBondContact OD1-CA 3.5Å; D408-N410 WeakPolarHBondContact OD1-CB 3.46Å; D408-N410 PolarHBondContact OD1-N 3.12Å; N410-R412 VanDerWaalsContact C-N 3.33Å |
| 411 | G | 58 | Low | 75.2 | Confident | 55 Ų | 55 | 80.8 Ų | 80.8 | 57% | 0.567 | 42% | 0.422 | S | S | * | . | S | Bend | trans | 79.1 | 10.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | T407 D408 | T407-G411 VanDerWaalsContact CG2-CA 3.48Å; D408-G411 PolarHBondContact O-N 3.32Å; D408-G411 PolarHBondContact OD1-N 3.1Å |
| 412 | R | 62.8 | Low | 75.7 | Confident | 163 Ų | 163 | 79.1 Ų | 79.1 | 62% | 0.615 | 41% | 0.406 | S | S | * | . | trans | -86.8 | 132.8 | 177.5 | -59 | -179.8 | 177.2 | -174.5 | -0.9 | 110.3 | T407 D408 N410 W425 | T407-R412 CarbonylContact C-O 3.56Å; T407-R412 WeakPolarHBondContact CA-O 3.41Å; D408-R412 PolarHBondContact N-O 2.92Å; D408-R412 WeakPolarHBondContact OD1-CB 3.5Å; D408-R412 PolarHBondContact OD1-N 3.42Å; N410-R412 VanDerWaalsContact C-N 3.33Å; R412-W425 HydrophobicContact CB-CZ3 4Å | ||
| 413 | V | 75.7 | Confident | 76.5 | Confident | 56 Ų | 56 | 82.4 Ų | 82.4 | 34% | 0.339 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 135.8 | 178.5 | -179.8 | 0 | 0 | 0 | 0 | 109.7 | K405 R406 F415 | K405-V413 HydrophobicContact CD-CG1 4.15Å; K405-V413 HydrophobicContact CG-CG1 3.56Å; R406-V413 CarbonylContact O-C 3.49Å; R406-V413 WeakPolarHBondContact O-CA 3.42Å; V413-F415 HydrophobicContact CG1-CE2 4.04Å; V413-F415 HydrophobicContact CG1-CZ 3.93Å |
| 414 | Y | 80.1 | Confident | 76.6 | Confident | 54 Ų | 54 | 81.6 Ų | 81.6 | 21% | 0.212 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 156.8 | 170.9 | 72.4 | -79.7 | 0 | 0 | 0 | 109.8 | R406 D408 V416 T423 Q424 W425 | R406-Y414 HydrophobicContact CB-CD1 4.03Å; R406-Y414 HydrophobicContact CB-CD2 4.47Å; R406-Y414 HydrophobicContact CB-CE1 3.47Å; R406-Y414 VanDerWaalsContact CB-CE1 3.47Å; R406-Y414 HydrophobicContact CB-CE2 4Å; R406-Y414 HydrophobicContact CB-CG 4.49Å; R406-Y414 VanDerWaalsContact CB-CZ 3.45Å; R406-Y414 WeakPolarHBondContact CD-OH 3.38Å; R406-Y414 PolarHBondContact N-O 2.89Å; R406-Y414 PolarHBondContact O-N 3.11Å; R406-Y414 VanDerWaalsContact O-O 3.04Å; D408-Y414 HydrophobicContact CB-CD1 4.4Å; D408-Y414 HydrophobicContact CB-CE1 4.33Å; Y414-V416 HydrophobicContact CD2-CG2 3.94Å; Y414-V416 HydrophobicContact CE2-CG2 3.5Å; Y414-V416 VanDerWaalsContact CE2-CG2 3.5Å; Y414-T423 HydrophobicContact CD2-CG2 4.37Å; Y414-T423 HydrophobicContact CE2-CG2 4.24Å; Y414-Q424 CarbonylContact C-O 3.45Å; Y414-Q424 WeakPolarHBondContact CA-O 3.43Å; Y414-W425 HydrophobicContact CG-CZ3 4.45Å |
| 415 | F | 85.9 | Confident | 76.4 | Confident | 13 Ų | 13 | 85.5 Ų | 85.5 | 6% | 0.057 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 130.7 | -173.4 | -59.6 | -91.9 | 0 | 0 | 0 | 110.2 | L399 W403 E404 K405 V413 T423 Q424 E426 D427 P428 | L399-F415 HydrophobicContact CD1-CD1 4.19Å; L399-F415 HydrophobicContact CD1-CE1 4.47Å; L399-F415 HydrophobicContact CD2-CD1 3.9Å; L399-F415 HydrophobicContact CD2-CE1 3.98Å; W403-F415 HydrophobicContact CE3-CB 4Å; W403-F415 HydrophobicContact CZ3-CB 4.11Å; E404-F415 WeakPolarHBondContact O-CA 3.41Å; K405-F415 HydrophobicContact CB-CD1 4.25Å; K405-F415 HydrophobicContact CB-CE1 4.14Å; K405-F415 HydrophobicContact CD-CE1 4.49Å; K405-F415 HydrophobicContact CG-CD1 4.48Å; K405-F415 HydrophobicContact CG-CE1 4.03Å; V413-F415 HydrophobicContact CG1-CE2 4.04Å; V413-F415 HydrophobicContact CG1-CZ 3.93Å; F415-T423 CarbonylContact O-C 3.56Å; F415-T423 VanDerWaalsContact O-CA 3.29Å; F415-T423 WeakPolarHBondContact O-CA 3.4Å; F415-Q424 HydrophobicContact CB-CG 4.26Å; F415-Q424 PolarHBondContact N-O 3.41Å; F415-Q424 PolarHBondContact O-N 2.99Å; F415-E426 WeakPolarHBondContact CD2-O 3.39Å; F415-D427 HydrophobicContact CD2-CB 4.43Å; F415-D427 HydrophobicContact CE1-CB 4.22Å; F415-D427 WeakPolarHBondContact CE1-OD2 3.49Å; F415-D427 HydrophobicContact CE2-CB 3.75Å; F415-D427 HydrophobicContact CZ-CB 3.61Å; F415-D427 VanDerWaalsContact CZ-OD2 3.29Å; F415-D427 WeakPolarHBondContact CZ-OD2 3.49Å; F415-P428 HydrophobicContact CD1-CG 4.43Å |
| 416 | V | 83.4 | Confident | 75.8 | Confident | 15 Ų | 15 | 86.2 Ų | 86.2 | 9% | 0.091 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 122.8 | -178.8 | -174.7 | 0 | 0 | 0 | 0 | 108.7 | W403 E404 R406 Y414 T423 | W403-V416 CarbonylContact C-O 3.55Å; W403-V416 VanDerWaalsContact CA-O 3.29Å; W403-V416 WeakPolarHBondContact CA-O 3.5Å; E404-V416 PolarHBondContact N-O 3.19Å; E404-V416 PolarHBondContact O-N 2.95Å; R406-V416 HydrophobicContact CG-CG2 4.14Å; Y414-V416 HydrophobicContact CD2-CG2 3.94Å; Y414-V416 HydrophobicContact CE2-CG2 3.5Å; Y414-V416 VanDerWaalsContact CE2-CG2 3.5Å; V416-T423 HydrophobicContact CB-CG2 4.45Å; V416-T423 HydrophobicContact CG1-CG2 4.26Å; V416-T423 HydrophobicContact CG2-CG2 3.97Å |
| 417 | N | 83.6 | Confident | 75.3 | Confident | 13 Ų | 13 | 82.8 Ų | 82.8 | 7% | 0.07 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 109.4 | 169.5 | -172.3 | -28.6 | 0 | 0 | 0 | 109.3 | G402 W403 N419 T420 R421 I422 | G402-N417 CarbonylContact O-C 3.54Å; G402-N417 WeakPolarHBondContact O-CA 3.5Å; W403-N417 HydrophobicContact CD2-CB 3.76Å; W403-N417 HydrophobicContact CE3-CB 3.73Å; W403-N417 HydrophobicContact CH2-CB 3.7Å; W403-N417 HydrophobicContact CZ2-CB 3.75Å; W403-N417 WeakPolarHBondContact CZ2-ND2 3.29Å; W403-N417 HydrophobicContact CZ3-CB 3.7Å; W403-N417 PolarHBondContact NE1-ND2 3.29Å; N417-N419 VanDerWaalsContact C-N 3.31Å; N417-N419 PolarHBondContact O-N 3.41Å; N417-N419 WeakPolarHBondContact OD1-CA 2.9Å; N417-N419 VanDerWaalsContact OD1-CB 3.32Å; N417-N419 WeakPolarHBondContact OD1-CB 3.34Å; N417-N419 PolarHBondContact OD1-N 2.99Å; N417-T420 WeakPolarHBondContact CB-OG1 3.31Å; N417-T420 PolarHBondContact ND2-OG1 3.49Å; N417-T420 VanDerWaalsContact ND2-OG1 3.17Å; N417-T420 PolarHBondContact OD1-N 3.47Å; N417-T420 VanDerWaalsContact OD1-N 3.16Å; N417-T420 PolarHBondContact OD1-OG1 3.33Å; N417-R421 WeakPolarHBondContact O-CA 3.47Å; N417-R421 PolarHBondContact O-N 3.43Å; N417-I422 HydrophobicContact CB-CG1 3.94Å; N417-I422 PolarHBondContact N-O 2.72Å; N417-I422 PolarHBondContact O-N 3.3Å |
| 418 | H | 76.3 | Confident | 74.6 | Confident | 91 Ų | 91 | 79.6 Ų | 79.6 | 42% | 0.421 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -25.4 | 177.9 | -67.3 | -73.6 | 0 | 0 | 0 | 113.5 | G402 E404 | G402-H418 WeakPolarHBondContact O-CB 3.43Å; G402-H418 PolarHBondContact O-CD2 3.26Å; G402-H418 PolarHBondContact O-N 3.22Å; E404-H418 VanDerWaalsContact CB-NE2 3.3Å; E404-H418 WeakPolarHBondContact CB-NE2 3.36Å; E404-H418 IonicContact OE2-CD2 2.78Å; E404-H418 IonicContact OE2-CE1 3Å; E404-H418 PolarHBondContact OE2-CE1 3.34Å; E404-H418 IonicContact OE2-NE2 3.32Å; E404-H418 PolarHBondContact OE2-NE2 2.96Å |
| 419 | N | 74.7 | Confident | 74.2 | Confident | 122 Ų | 122 | 78.9 Ų | 78.9 | 65% | 0.652 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -38.9 | 179.8 | -60.8 | -23.3 | 0 | 0 | 0 | 111.5 | P401 N417 | P401-N419 PolarHBondContact O-ND2 3.1Å; N417-N419 VanDerWaalsContact C-N 3.31Å; N417-N419 PolarHBondContact O-N 3.41Å; N417-N419 WeakPolarHBondContact OD1-CA 2.9Å; N417-N419 VanDerWaalsContact OD1-CB 3.32Å; N417-N419 WeakPolarHBondContact OD1-CB 3.34Å; N417-N419 PolarHBondContact OD1-N 2.99Å |
| 420 | T | 80.4 | Confident | 73.9 | Confident | 80 Ų | 80 | 75.5 Ų | 75.5 | 49% | 0.491 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -5.8 | -179.4 | 57.7 | 0 | 0 | 0 | 0 | 113.7 | N417 I422 | N417-T420 WeakPolarHBondContact CB-OG1 3.31Å; N417-T420 PolarHBondContact ND2-OG1 3.49Å; N417-T420 VanDerWaalsContact ND2-OG1 3.17Å; N417-T420 PolarHBondContact OD1-N 3.47Å; N417-T420 VanDerWaalsContact OD1-N 3.16Å; N417-T420 PolarHBondContact OD1-OG1 3.33Å; T420-I422 PolarHBondContact O-N 2.89Å; T420-I422 WeakPolarHBondContact OG1-CG1 3.36Å |
| 421 | R | 83.3 | Confident | 73.1 | Confident | 230 Ų | 230 | 74.8 Ų | 74.8 | 87% | 0.868 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 34.1 | -177.1 | -56.3 | -174 | 179.6 | -177.3 | 0.6 | 113.9 | N417 | N417-R421 WeakPolarHBondContact O-CA 3.47Å; N417-R421 PolarHBondContact O-N 3.43Å |
| 422 | I | 73.4 | Confident | 72.6 | Confident | 83 Ų | 83 | 75.6 Ų | 75.6 | 43% | 0.426 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 155.9 | 174.7 | 71.9 | -176.4 | 0 | 0 | 0 | 110.7 | N417 T420 | N417-I422 HydrophobicContact CB-CG1 3.94Å; N417-I422 PolarHBondContact N-O 2.72Å; N417-I422 PolarHBondContact O-N 3.3Å; T420-I422 PolarHBondContact O-N 2.89Å; T420-I422 WeakPolarHBondContact OG1-CG1 3.36Å |
| 423 | T | 85.5 | Confident | 71.7 | Confident | 96 Ų | 96 | 74.2 Ų | 74.2 | 59% | 0.589 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 141 | 170.8 | 59.8 | 0 | 0 | 0 | 0 | 109.6 | Y414 F415 V416 | Y414-T423 HydrophobicContact CD2-CG2 4.37Å; Y414-T423 HydrophobicContact CE2-CG2 4.24Å; F415-T423 CarbonylContact O-C 3.56Å; F415-T423 VanDerWaalsContact O-CA 3.29Å; F415-T423 WeakPolarHBondContact O-CA 3.4Å; V416-T423 HydrophobicContact CB-CG2 4.45Å; V416-T423 HydrophobicContact CG1-CG2 4.26Å; V416-T423 HydrophobicContact CG2-CG2 3.97Å |
| 424 | Q | 79.9 | Confident | 70.3 | Confident | 31 Ų | 31 | 73.7 Ų | 73.7 | 15% | 0.145 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 160.4 | 175.4 | 59.4 | -176.9 | 59.8 | 0 | 0 | 111 | W403 Y414 F415 E426 | W403-Q424 VanDerWaalsContact CH2-CD 3.46Å; W403-Q424 HydrophobicContact CH2-CG 4.07Å; W403-Q424 HydrophobicContact CZ3-CG 3.73Å; Y414-Q424 CarbonylContact C-O 3.45Å; Y414-Q424 WeakPolarHBondContact CA-O 3.43Å; F415-Q424 HydrophobicContact CB-CG 4.26Å; F415-Q424 PolarHBondContact N-O 3.41Å; F415-Q424 PolarHBondContact O-N 2.99Å; Q424-E426 WeakPolarHBondContact CG-O 3.45Å; Q424-E426 PolarHBondContact NE2-O 3.4Å |
| 425 | W | 77.1 | Confident | 68.9 | Low | 153 Ų | 153 | 74 Ų | 74 | 58% | 0.58 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -90.8 | -25.5 | -179.7 | -64.1 | 101.8 | 0 | 0 | 0 | 111.7 | R412 Y414 | R412-W425 HydrophobicContact CB-CZ3 4Å; Y414-W425 HydrophobicContact CG-CZ3 4.45Å |
| 426 | E | 68.6 | Low | 67.2 | Low | 95 Ų | 95 | 82.8 Ų | 82.8 | 44% | 0.444 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -83.3 | 141.2 | 179.3 | -56.9 | 75.3 | -163.3 | 0 | 0 | 110.7 | F415 Q424 Q431 | F415-E426 WeakPolarHBondContact CD2-O 3.39Å; Q424-E426 WeakPolarHBondContact CG-O 3.45Å; Q424-E426 PolarHBondContact NE2-O 3.4Å; E426-Q431 HydrophobicContact CB-CG 4.2Å; E426-Q431 VanDerWaalsContact CB-NE2 3.29Å |
| 427 | D | 69.1 | Low | 65.9 | Low | 24 Ų | 24 | 88.9 Ų | 88.9 | 13% | 0.128 | 44% | 0.444 | C | S | . | . | trans | -64.9 | 127.2 | 177.2 | -167.3 | -49.2 | 0 | 0 | 0 | 110 | F415 R429 S430 Q431 | F415-D427 HydrophobicContact CD2-CB 4.43Å; F415-D427 HydrophobicContact CE1-CB 4.22Å; F415-D427 WeakPolarHBondContact CE1-OD2 3.49Å; F415-D427 HydrophobicContact CE2-CB 3.75Å; F415-D427 HydrophobicContact CZ-CB 3.61Å; F415-D427 VanDerWaalsContact CZ-OD2 3.29Å; F415-D427 WeakPolarHBondContact CZ-OD2 3.49Å; D427-R429 PolarHBondContact O-N 3.15Å; D427-R429 WeakPolarHBondContact OD1-CB 3.26Å; D427-R429 WeakPolarHBondContact OD1-CG 3.41Å; D427-R429 IonicContact OD1-CZ 3.28Å; D427-R429 PolarHBondContact OD1-N 2.67Å; D427-R429 IonicContact OD1-NE 2.74Å; D427-R429 PolarHBondContact OD1-NE 3.31Å; D427-R429 IonicContact OD1-NH2 2.92Å; D427-R429 IonicContact OD2-CZ 3.54Å; D427-R429 IonicContact OD2-NE 3.85Å; D427-R429 PolarHBondContact OD2-NE 3.36Å; D427-R429 IonicContact OD2-NH2 2.75Å; D427-R429 PolarHBondContact OD2-NH2 3.21Å; D427-S430 PolarHBondContact N-OG 3.08Å; D427-S430 WeakPolarHBondContact O-CA 3.02Å; D427-S430 WeakPolarHBondContact O-CB 3.46Å; D427-S430 PolarHBondContact O-N 2.64Å; D427-S430 PolarHBondContact O-OG 3.41Å; D427-Q431 PolarHBondContact O-N 3.31Å | ||
| 428 | P | 64 | Low | 64.7 | Low | 17 Ų | 17 | 92 Ų | 92 | 11% | 0.11 | 47% | 0.465 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -19.7 | 178.9 | 27.2 | -38.2 | 0 | 0 | 0 | 113.4 | L399 W403 F415 | L399-P428 HydrophobicContact CD2-CG 3.73Å; W403-P428 HydrophobicContact CB-CG 4.25Å; W403-P428 HydrophobicContact CD2-CB 3.58Å; W403-P428 HydrophobicContact CD2-CG 3.53Å; W403-P428 HydrophobicContact CE3-CB 3.75Å; W403-P428 HydrophobicContact CE3-CG 3.54Å; W403-P428 HydrophobicContact CG-CB 4.22Å; W403-P428 HydrophobicContact CG-CG 3.89Å; W403-P428 HydrophobicContact CH2-CB 3.83Å; W403-P428 HydrophobicContact CZ2-CB 3.65Å; W403-P428 HydrophobicContact CZ2-CG 4.5Å; W403-P428 HydrophobicContact CZ3-CB 3.87Å; W403-P428 HydrophobicContact CZ3-CG 4.06Å; F415-P428 HydrophobicContact CD1-CG 4.43Å |
| 429 | R | 65.7 | Low | 64.4 | Low | 22 Ų | 22 | 88.7 Ų | 88.7 | 8% | 0.083 | 45% | 0.45 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -23.6 | 173.4 | -57.4 | 168.2 | -67.4 | -171.8 | 1.7 | 112.6 | D394 L396 G397 L399 P400 D427 | D394-R429 IonicContact OD1-CZ 2.7Å; D394-R429 IonicContact OD1-NH1 2.64Å; D394-R429 PolarHBondContact OD1-NH1 2.64Å; D394-R429 IonicContact OD1-NH2 3.28Å; D394-R429 PolarHBondContact OD1-NH2 2.73Å; D394-R429 IonicContact OD2-CZ 3.46Å; D394-R429 VanDerWaalsContact OD2-CZ 3.23Å; D394-R429 IonicContact OD2-NH1 3.03Å; D394-R429 PolarHBondContact OD2-NH1 2.98Å; D394-R429 IonicContact OD2-NH2 3.15Å; D394-R429 PolarHBondContact OD2-NH2 2.83Å; L396-R429 HydrophobicContact CD1-CB 4.42Å; G397-R429 PolarHBondContact O-NH1 3.4Å; L399-R429 HydrophobicContact CD2-CG 4.43Å; P400-R429 HydrophobicContact CG-CG 4.24Å; D427-R429 PolarHBondContact O-N 3.15Å; D427-R429 WeakPolarHBondContact OD1-CB 3.26Å; D427-R429 WeakPolarHBondContact OD1-CG 3.41Å; D427-R429 IonicContact OD1-CZ 3.28Å; D427-R429 PolarHBondContact OD1-N 2.67Å; D427-R429 IonicContact OD1-NE 2.74Å; D427-R429 PolarHBondContact OD1-NE 3.31Å; D427-R429 IonicContact OD1-NH2 2.92Å; D427-R429 IonicContact OD2-CZ 3.54Å; D427-R429 IonicContact OD2-NE 3.85Å; D427-R429 PolarHBondContact OD2-NE 3.36Å; D427-R429 IonicContact OD2-NH2 2.75Å; D427-R429 PolarHBondContact OD2-NH2 3.21Å |
| 430 | S | 58.9 | Low | 64.5 | Low | 49 Ų | 49 | 85.5 Ų | 85.5 | 34% | 0.343 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -28.1 | 173.5 | 72.1 | 0 | 0 | 0 | 0 | 112.2 | D427 G432 | D427-S430 PolarHBondContact N-OG 3.08Å; D427-S430 WeakPolarHBondContact O-CA 3.02Å; D427-S430 WeakPolarHBondContact O-CB 3.46Å; D427-S430 PolarHBondContact O-N 2.64Å; D427-S430 PolarHBondContact O-OG 3.41Å; S430-G432 PolarHBondContact O-N 3.47Å |
| 431 | Q | 47.8 | Very low | 63.8 | Low | 108 Ų | 108 | 89.4 Ų | 89.4 | 51% | 0.505 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 74.8 | 179.5 | -67.6 | -175.8 | -19.1 | 0 | 0 | 111.2 | E426 D427 | E426-Q431 HydrophobicContact CB-CG 4.2Å; E426-Q431 VanDerWaalsContact CB-NE2 3.29Å; D427-Q431 PolarHBondContact O-N 3.31Å |
| 432 | G | 47.4 | Very low | 63.2 | Low | 72 Ų | 72 | 79.3 Ų | 79.3 | 74% | 0.742 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 149.7 | -14.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | S430 | S430-G432 PolarHBondContact O-N 3.47Š|
| 433 | Q | 45.5 | Very low | 63.2 | Low | 134 Ų | 134 | 77.7 Ų | 77.7 | 63% | 0.626 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -119 | -15.8 | 179.3 | -85.1 | 178.6 | -37.6 | 0 | 0 | 114.8 | ||
| 434 | L | 46.3 | Very low | 62.6 | Low | 46 Ų | 46 | 73.2 Ų | 73.2 | 24% | 0.241 | 38% | 0.377 | C | S | . | . | trans | -102.1 | 89.7 | 175.6 | -66.6 | 171.5 | 0 | 0 | 0 | 108.7 | E436 M445 | L434-E436 PolarHBondContact O-N 2.93Å; L434-M445 HydrophobicContact CD2-CE 3.49Å; L434-M445 VanDerWaalsContact CD2-CE 3.49Å; L434-M445 HydrophobicContact CD2-SD 4.15Å | ||
| 435 | N | 50.1 | Low | 62.2 | Low | 61 Ų | 61 | 72 Ų | 72 | 33% | 0.326 | 37% | 0.372 | S | S | . | . | trans | -56.8 | 125.7 | 167 | -156.1 | -5.6 | 0 | 0 | 0 | 107.7 | K437 R469 T470 | N435-K437 PolarHBondContact O-N 3.37Å; N435-R469 PolarHBondContact O-NH1 3.23Å; N435-R469 VanDerWaalsContact O-NH1 3.08Å; N435-T470 HydrophobicContact CB-CG2 4.23Å; N435-T470 VanDerWaalsContact ND2-CG2 3.28Å; N435-T470 WeakPolarHBondContact ND2-CG2 3.3Å | ||
| 436 | E | 49 | Very low | 62 | Low | 197 Ų | 197 | 65.4 Ų | 65.4 | 92% | 0.921 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -60.3 | -16.6 | 178.2 | -70.3 | -175.2 | 160.9 | 0 | 0 | 112.3 | L434 | L434-E436 PolarHBondContact O-N 2.93Š|
| 437 | K | 56.2 | Low | 62 | Low | 143 Ų | 143 | 64.5 Ų | 64.5 | 62% | 0.622 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -67.1 | 131.6 | 175.2 | -63.7 | -173.8 | -179.5 | -177.1 | 0 | 110.5 | N435 R469 | N435-K437 PolarHBondContact O-N 3.37Å; K437-R469 WeakPolarHBondContact O-CD 3.49Å; K437-R469 PolarHBondContact O-NH1 3.14Å |
| 438 | P | 58.9 | Low | 61.9 | Low | 77 Ų | 77 | 64.7 Ų | 64.7 | 50% | 0.5 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 150.1 | 176.3 | 25.2 | -33.3 | 0 | 0 | 0 | 110.5 | R469 | P438-R469 WeakPolarHBondContact O-CD 3.48Š|
| 439 | L | 69.5 | Low | 61.8 | Low | 22 Ų | 22 | 71 Ų | 71 | 12% | 0.115 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 146.3 | 169.5 | -74.4 | 166.6 | 0 | 0 | 0 | 109.3 | W443 M445 F455 P468 R469 | L439-W443 HydrophobicContact CB-CB 4.13Å; L439-M445 HydrophobicContact CD1-CB 3.83Å; L439-F455 HydrophobicContact CD2-CD1 3.94Å; L439-F455 HydrophobicContact CD2-CE1 4.05Å; L439-P468 HydrophobicContact CD2-CG 3.83Å; L439-R469 HydrophobicContact CD2-CG 4.19Å |
| 440 | P | 77 | Confident | 61.6 | Low | 55 Ų | 55 | 75.7 Ų | 75.7 | 36% | 0.357 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 157.1 | 172.5 | -21.5 | 33 | 0 | 0 | 0 | 111.2 | G442 W443 P468 | P440-G442 PolarHBondContact O-N 2.96Å; P440-W443 HydrophobicContact CB-CG 4.39Å; P440-W443 WeakPolarHBondContact O-CB 3.4Å; P440-W443 PolarHBondContact O-N 3.24Å; P440-P468 HydrophobicContact CG-CB 4.16Å; P440-P468 HydrophobicContact CG-CG 4.29Å |
| 441 | E | 66.9 | Low | 61.6 | Low | 162 Ų | 162 | 74.6 Ų | 74.6 | 76% | 0.757 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 135 | 178.8 | -168.8 | -179.6 | 172.3 | 0 | 0 | 111.4 | W443 N459 | E441-W443 VanDerWaalsContact C-N 3.27Å; E441-W443 PolarHBondContact O-N 3.49Å; E441-N459 PolarHBondContact O-ND2 2.92Å |
| 442 | G | 69.3 | Low | 62.7 | Low | 18 Ų | 18 | 71.9 Ų | 71.9 | 19% | 0.186 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 5.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | P440 H458 | P440-G442 PolarHBondContact O-N 2.96Å; G442-H458 WeakPolarHBondContact O-CA 3.49Å; G442-H458 VanDerWaalsContact O-CB 3.28Å; G442-H458 WeakPolarHBondContact O-CB 3.47Å; G442-H458 PolarHBondContact O-CD2 2.87Å; G442-H458 VanDerWaalsContact O-CD2 3.22Å; G442-H458 PolarHBondContact O-N 2.76Å |
| 443 | W | 74.4 | Confident | 63.8 | Low | 49 Ų | 49 | 69.2 Ų | 69.2 | 19% | 0.186 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 134.5 | 173 | -71.9 | 75 | 0 | 0 | 0 | 112.4 | L439 P440 E441 F455 V456 D457 T464 P468 | L439-W443 HydrophobicContact CB-CB 4.13Å; P440-W443 HydrophobicContact CB-CG 4.39Å; P440-W443 WeakPolarHBondContact O-CB 3.4Å; P440-W443 PolarHBondContact O-N 3.24Å; E441-W443 VanDerWaalsContact C-N 3.27Å; E441-W443 PolarHBondContact O-N 3.49Å; W443-F455 HydrophobicContact CE3-CB 3.91Å; W443-F455 HydrophobicContact CZ3-CB 3.93Å; W443-V456 CarbonylContact C-O 3.48Å; W443-V456 WeakPolarHBondContact CA-O 3.46Å; W443-D457 HydrophobicContact CD2-CB 4.01Å; W443-D457 HydrophobicContact CE3-CB 4.05Å; W443-D457 HydrophobicContact CH2-CB 3.85Å; W443-D457 HydrophobicContact CZ2-CB 3.74Å; W443-D457 VanDerWaalsContact CZ2-OD2 3.28Å; W443-D457 WeakPolarHBondContact CZ2-OD2 3.3Å; W443-D457 HydrophobicContact CZ3-CB 4Å; W443-T464 HydrophobicContact CH2-CG2 3.97Å; W443-T464 HydrophobicContact CZ3-CG2 3.62Å; W443-P468 HydrophobicContact CB-CG 4.31Å; W443-P468 HydrophobicContact CD2-CB 3.71Å; W443-P468 HydrophobicContact CD2-CG 3.6Å; W443-P468 HydrophobicContact CE3-CB 3.72Å; W443-P468 HydrophobicContact CE3-CG 3.42Å; W443-P468 VanDerWaalsContact CE3-CG 3.42Å; W443-P468 HydrophobicContact CG-CB 4.35Å; W443-P468 HydrophobicContact CG-CG 4.01Å; W443-P468 HydrophobicContact CH2-CB 3.91Å; W443-P468 HydrophobicContact CH2-CG 4.49Å; W443-P468 HydrophobicContact CZ2-CB 3.94Å; W443-P468 HydrophobicContact CZ3-CB 3.8Å; W443-P468 HydrophobicContact CZ3-CG 3.89Å |
| 444 | E | 73.3 | Confident | 65.5 | Low | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.009 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 146.6 | 174.9 | 175.2 | -171.9 | 178.4 | 0 | 0 | 109.2 | R446 F455 V456 H458 K490 | E444-R446 HydrophobicContact CG-CG 4.1Å; E444-R446 WeakPolarHBondContact OE1-CG 3.3Å; E444-R446 IonicContact OE1-CZ 3.26Å; E444-R446 IonicContact OE1-NE 2.8Å; E444-R446 PolarHBondContact OE1-NE 2.97Å; E444-R446 IonicContact OE1-NH2 2.88Å; E444-R446 PolarHBondContact OE1-NH2 2.94Å; E444-R446 IonicContact OE2-CZ 2.86Å; E444-R446 IonicContact OE2-NE 3.57Å; E444-R446 PolarHBondContact OE2-NE 3.44Å; E444-R446 IonicContact OE2-NH2 3.97Å; E444-R446 PolarHBondContact OE2-NH2 2.9Å; E444-F455 CarbonylContact O-C 3.59Å; E444-F455 VanDerWaalsContact O-CA 3.24Å; E444-F455 WeakPolarHBondContact O-CA 3.13Å; E444-V456 HydrophobicContact CB-CB 4.2Å; E444-V456 PolarHBondContact N-O 2.85Å; E444-V456 PolarHBondContact O-N 2.9Å; E444-H458 VanDerWaalsContact CB-NE2 3.31Å; E444-H458 WeakPolarHBondContact CB-NE2 3.38Å; E444-H458 IonicContact OE2-CE1 2.79Å; E444-H458 PolarHBondContact OE2-CE1 3.36Å; E444-H458 IonicContact OE2-NE2 3.26Å; E444-H458 PolarHBondContact OE2-NE2 2.74Å; E444-K490 WeakPolarHBondContact OE1-CG 3.43Å |
| 445 | M | 72.3 | Confident | 67.3 | Low | 5 Ų | 5 | 62.1 Ų | 62.1 | 3% | 0.025 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 133.9 | 170.7 | 175.5 | 175.7 | 48.8 | 0 | 0 | 108.7 | L434 L439 Y454 F455 Y493 | L434-M445 HydrophobicContact CD2-CE 3.49Å; L434-M445 VanDerWaalsContact CD2-CE 3.49Å; L434-M445 HydrophobicContact CD2-SD 4.15Å; L439-M445 HydrophobicContact CD1-CB 3.83Å; M445-Y454 CarbonylContact C-O 3.6Å; M445-Y454 WeakPolarHBondContact CA-O 3.31Å; M445-F455 HydrophobicContact CB-CD1 3.89Å; M445-F455 HydrophobicContact CB-CE1 3.89Å; M445-F455 HydrophobicContact CG-CD1 4.12Å; M445-F455 HydrophobicContact CG-CE1 3.76Å; M445-F455 HydrophobicContact CG-CZ 4.3Å; M445-F455 HydrophobicContact SD-CE1 3.71Å; M445-F455 HydrophobicContact SD-CZ 4.05Å; M445-Y493 HydrophobicContact CE-CE2 4.01Å; M445-Y493 WeakPolarHBondContact CE-OH 2.99Å |
| 446 | R | 72.3 | Confident | 68.7 | Low | 16 Ų | 16 | 59.2 Ų | 59.2 | 6% | 0.06 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 172.2 | -179 | -69.9 | -166.6 | 178.2 | 165.1 | 12.9 | 110.4 | E444 A453 Y454 V456 V484 | E444-R446 HydrophobicContact CG-CG 4.1Å; E444-R446 WeakPolarHBondContact OE1-CG 3.3Å; E444-R446 IonicContact OE1-CZ 3.26Å; E444-R446 IonicContact OE1-NE 2.8Å; E444-R446 PolarHBondContact OE1-NE 2.97Å; E444-R446 IonicContact OE1-NH2 2.88Å; E444-R446 PolarHBondContact OE1-NH2 2.94Å; E444-R446 IonicContact OE2-CZ 2.86Å; E444-R446 IonicContact OE2-NE 3.57Å; E444-R446 PolarHBondContact OE2-NE 3.44Å; E444-R446 IonicContact OE2-NH2 3.97Å; E444-R446 PolarHBondContact OE2-NH2 2.9Å; R446-A453 CarbonylContact O-C 3.59Å; R446-A453 VanDerWaalsContact O-CA 3.26Å; R446-A453 WeakPolarHBondContact O-CA 3.39Å; R446-Y454 HydrophobicContact CB-CD1 3.91Å; R446-Y454 HydrophobicContact CB-CD2 4.27Å; R446-Y454 HydrophobicContact CB-CE1 3.38Å; R446-Y454 HydrophobicContact CB-CE2 3.78Å; R446-Y454 HydrophobicContact CB-CG 4.34Å; R446-Y454 WeakPolarHBondContact CD-OH 3.34Å; R446-Y454 HydrophobicContact CG-CE2 4.38Å; R446-Y454 PolarHBondContact N-O 2.89Å; R446-Y454 PolarHBondContact O-N 2.95Å; R446-Y454 VanDerWaalsContact O-O 3.12Å; R446-V456 HydrophobicContact CG-CG2 4.09Å; R446-V484 PolarHBondContact NH1-O 2.92Å; R446-V484 PolarHBondContact NH2-O 2.81Å |
| 447 | F | 67.5 | Low | 70.3 | Confident | 75 Ų | 75 | 50.2 Ų | 50.2 | 33% | 0.329 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 141.4 | 174.9 | -62.6 | -88.6 | 0 | 0 | 0 | 110.1 | G451 I452 A453 | F447-G451 WeakPolarHBondContact CD1-O 3.34Å; F447-I452 CarbonylContact C-O 3.56Å; F447-I452 VanDerWaalsContact CA-O 3.29Å; F447-I452 WeakPolarHBondContact CA-O 3.31Å; F447-A453 HydrophobicContact CD1-CB 4.05Å; F447-A453 HydrophobicContact CE1-CB 3.76Å; F447-A453 HydrophobicContact CZ-CB 4.49Å |
| 448 | T | 68.3 | Low | 71.2 | Confident | 29 Ų | 29 | 44.7 Ų | 44.7 | 18% | 0.178 | 25% | 0.248 | C | C | . | . | trans | -68.2 | 169.8 | 167.3 | 65.6 | 0 | 0 | 0 | 0 | 110.1 | D450 G451 I452 Y454 Y465 I481 | T448-D450 PolarHBondContact O-N 3.06Å; T448-D450 VanDerWaalsContact O-N 3.11Å; T448-D450 PolarHBondContact OG1-N 2.89Å; T448-G451 PolarHBondContact O-N 3.15Å; T448-I452 HydrophobicContact CG2-CB 4.34Å; T448-I452 PolarHBondContact N-O 2.86Å; T448-I452 WeakPolarHBondContact OG1-CB 3.36Å; T448-I452 PolarHBondContact OG1-N 3.05Å; T448-I452 VanDerWaalsContact OG1-N 3.15Å; T448-Y454 HydrophobicContact CG2-CD1 3.95Å; T448-Y454 HydrophobicContact CG2-CE1 4.27Å; T448-Y465 HydrophobicContact CG2-CE1 4.27Å; T448-I481 HydrophobicContact CG2-CD1 3.81Å | ||
| 449 | V | 60.6 | Low | 72 | Confident | 148 Ų | 148 | 46 Ų | 46 | 90% | 0.897 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -26.9 | 172.3 | -66.8 | 0 | 0 | 0 | 0 | 112.9 | G451 | V449-G451 VanDerWaalsContact C-N 3.28Å; V449-G451 PolarHBondContact O-N 3.08Å |
| 450 | D | 61.4 | Low | 72.5 | Confident | 122 Ų | 122 | 54.2 Ų | 54.2 | 65% | 0.652 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | 5.3 | 178.3 | -51.8 | -52.8 | 0 | 0 | 0 | 113 | T448 I452 | T448-D450 PolarHBondContact O-N 3.06Å; T448-D450 VanDerWaalsContact O-N 3.11Å; T448-D450 PolarHBondContact OG1-N 2.89Å; D450-I452 HydrophobicContact CB-CG1 4.41Å |
| 451 | G | 58.9 | Low | 72.5 | Confident | 25 Ų | 25 | 57.1 Ų | 57.1 | 26% | 0.258 | 28% | 0.284 | S | S | . | . | trans | 78.2 | 16.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | F447 T448 V449 | F447-G451 WeakPolarHBondContact CD1-O 3.34Å; T448-G451 PolarHBondContact O-N 3.15Å; V449-G451 VanDerWaalsContact C-N 3.28Å; V449-G451 PolarHBondContact O-N 3.08Å | ||
| 452 | I | 71.8 | Confident | 73.3 | Confident | 51 Ų | 51 | 52.7 Ų | 52.7 | 26% | 0.262 | 27% | 0.268 | S | S | . | . | trans | -86.2 | 124.4 | 179.7 | -56.1 | 177.5 | 0 | 0 | 0 | 109.5 | F447 T448 D450 Y465 A474 L475 | F447-I452 CarbonylContact C-O 3.56Å; F447-I452 VanDerWaalsContact CA-O 3.29Å; F447-I452 WeakPolarHBondContact CA-O 3.31Å; T448-I452 HydrophobicContact CG2-CB 4.34Å; T448-I452 PolarHBondContact N-O 2.86Å; T448-I452 WeakPolarHBondContact OG1-CB 3.36Å; T448-I452 PolarHBondContact OG1-N 3.05Å; T448-I452 VanDerWaalsContact OG1-N 3.15Å; D450-I452 HydrophobicContact CB-CG1 4.41Å; I452-Y465 HydrophobicContact CG2-CD1 4.15Å; I452-Y465 HydrophobicContact CG2-CE1 4.04Å; I452-A474 HydrophobicContact CG2-CB 4.43Å; I452-L475 HydrophobicContact CD1-CD1 4.3Å; I452-L475 HydrophobicContact CD1-CD2 4Å; I452-L475 HydrophobicContact CG2-CB 4.03Å; I452-L475 HydrophobicContact CG2-CD2 4.36Å | ||
| 453 | A | 70.4 | Confident | 74.2 | Confident | 16 Ų | 16 | 53.2 Ų | 53.2 | 13% | 0.132 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 134.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | R446 F447 Y465 A474 | R446-A453 CarbonylContact O-C 3.59Å; R446-A453 VanDerWaalsContact O-CA 3.26Å; R446-A453 WeakPolarHBondContact O-CA 3.39Å; F447-A453 HydrophobicContact CD1-CB 4.05Å; F447-A453 HydrophobicContact CE1-CB 3.76Å; F447-A453 HydrophobicContact CZ-CB 4.49Å; A453-Y465 WeakPolarHBondContact O-CD1 3.48Å; A453-A474 HydrophobicContact CB-CB 4.18Å; A453-A474 WeakPolarHBondContact O-CB 3.45Å |
| 454 | Y | 80.9 | Confident | 74.8 | Confident | 25 Ų | 25 | 52.7 Ų | 52.7 | 10% | 0.098 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 160 | 167.2 | 71.8 | -84.2 | 0 | 0 | 0 | 109.6 | M445 R446 T448 V456 T463 I481 | M445-Y454 CarbonylContact C-O 3.6Å; M445-Y454 WeakPolarHBondContact CA-O 3.31Å; R446-Y454 HydrophobicContact CB-CD1 3.91Å; R446-Y454 HydrophobicContact CB-CD2 4.27Å; R446-Y454 HydrophobicContact CB-CE1 3.38Å; R446-Y454 HydrophobicContact CB-CE2 3.78Å; R446-Y454 HydrophobicContact CB-CG 4.34Å; R446-Y454 WeakPolarHBondContact CD-OH 3.34Å; R446-Y454 HydrophobicContact CG-CE2 4.38Å; R446-Y454 PolarHBondContact N-O 2.89Å; R446-Y454 PolarHBondContact O-N 2.95Å; R446-Y454 VanDerWaalsContact O-O 3.12Å; T448-Y454 HydrophobicContact CG2-CD1 3.95Å; T448-Y454 HydrophobicContact CG2-CE1 4.27Å; Y454-V456 HydrophobicContact CD2-CG2 4.04Å; Y454-V456 HydrophobicContact CE2-CG2 3.59Å; Y454-T463 HydrophobicContact CD2-CG2 4.46Å; Y454-T463 HydrophobicContact CE2-CG2 4.29Å; Y454-I481 HydrophobicContact CD1-CD1 3.57Å; Y454-I481 HydrophobicContact CD2-CD1 3.69Å; Y454-I481 HydrophobicContact CD2-CG2 4.43Å; Y454-I481 HydrophobicContact CE1-CD1 3.84Å; Y454-I481 HydrophobicContact CE2-CD1 3.96Å; Y454-I481 HydrophobicContact CE2-CG2 3.86Å; Y454-I481 HydrophobicContact CG-CD1 3.48Å; Y454-I481 VanDerWaalsContact CG-CD1 3.48Å |
| 455 | F | 83.4 | Confident | 75.4 | Confident | 6 Ų | 6 | 53.8 Ų | 53.8 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 132.5 | -173.3 | -56.6 | -90.3 | 0 | 0 | 0 | 109.6 | L439 W443 E444 M445 T463 T464 I466 D467 | L439-F455 HydrophobicContact CD2-CD1 3.94Å; L439-F455 HydrophobicContact CD2-CE1 4.05Å; W443-F455 HydrophobicContact CE3-CB 3.91Å; W443-F455 HydrophobicContact CZ3-CB 3.93Å; E444-F455 CarbonylContact O-C 3.59Å; E444-F455 VanDerWaalsContact O-CA 3.24Å; E444-F455 WeakPolarHBondContact O-CA 3.13Å; M445-F455 HydrophobicContact CB-CD1 3.89Å; M445-F455 HydrophobicContact CB-CE1 3.89Å; M445-F455 HydrophobicContact CG-CD1 4.12Å; M445-F455 HydrophobicContact CG-CE1 3.76Å; M445-F455 HydrophobicContact CG-CZ 4.3Å; M445-F455 HydrophobicContact SD-CE1 3.71Å; M445-F455 HydrophobicContact SD-CZ 4.05Å; F455-T463 CarbonylContact O-C 3.58Å; F455-T463 WeakPolarHBondContact O-CA 3.24Å; F455-T464 HydrophobicContact CB-CG2 4.19Å; F455-T464 PolarHBondContact N-O 3.08Å; F455-T464 PolarHBondContact O-N 3.06Å; F455-I466 VanDerWaalsContact CD2-C 3.45Å; F455-I466 VanDerWaalsContact CD2-O 3.31Å; F455-I466 WeakPolarHBondContact CD2-O 3.2Å; F455-D467 HydrophobicContact CD2-CB 4.27Å; F455-D467 HydrophobicContact CE1-CB 3.96Å; F455-D467 HydrophobicContact CE2-CB 3.52Å; F455-D467 HydrophobicContact CZ-CB 3.33Å; F455-D467 VanDerWaalsContact CZ-CG 3.44Å; F455-D467 WeakPolarHBondContact CZ-OD2 3.36Å |
| 456 | V | 80.6 | Confident | 76 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 117.6 | 178.8 | -175.7 | 0 | 0 | 0 | 0 | 107.5 | W443 E444 R446 Y454 T463 Y483 | W443-V456 CarbonylContact C-O 3.48Å; W443-V456 WeakPolarHBondContact CA-O 3.46Å; E444-V456 HydrophobicContact CB-CB 4.2Å; E444-V456 PolarHBondContact N-O 2.85Å; E444-V456 PolarHBondContact O-N 2.9Å; R446-V456 HydrophobicContact CG-CG2 4.09Å; Y454-V456 HydrophobicContact CD2-CG2 4.04Å; Y454-V456 HydrophobicContact CE2-CG2 3.59Å; V456-T463 HydrophobicContact CG1-CG2 4.35Å; V456-T463 HydrophobicContact CG2-CG2 4.06Å; V456-Y483 HydrophobicContact CG1-CD2 3.5Å; V456-Y483 VanDerWaalsContact CG1-CD2 3.5Å; V456-Y483 HydrophobicContact CG1-CE2 3.57Å |
| 457 | D | 82.8 | Confident | 76.5 | Confident | 7 Ų | 7 | 56.9 Ų | 56.9 | 4% | 0.037 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 102.4 | 171.6 | -177.3 | -12.1 | 0 | 0 | 0 | 108.1 | W443 N459 R460 R461 T462 | W443-D457 HydrophobicContact CD2-CB 4.01Å; W443-D457 HydrophobicContact CE3-CB 4.05Å; W443-D457 HydrophobicContact CH2-CB 3.85Å; W443-D457 HydrophobicContact CZ2-CB 3.74Å; W443-D457 VanDerWaalsContact CZ2-OD2 3.28Å; W443-D457 WeakPolarHBondContact CZ2-OD2 3.3Å; W443-D457 HydrophobicContact CZ3-CB 4Å; D457-N459 VanDerWaalsContact C-N 3.28Å; D457-N459 PolarHBondContact O-N 3.12Å; D457-N459 WeakPolarHBondContact OD1-CA 3.15Å; D457-N459 VanDerWaalsContact OD1-CB 3.24Å; D457-N459 WeakPolarHBondContact OD1-CB 3.49Å; D457-N459 PolarHBondContact OD1-N 2.95Å; D457-N459 PolarHBondContact OD1-ND2 2.7Å; D457-R460 HydrophobicContact CB-CB 4.5Å; D457-R460 PolarHBondContact OD1-N 3.47Å; D457-R460 WeakPolarHBondContact OD2-CB 3.42Å; D457-R460 WeakPolarHBondContact OD2-CD 3.37Å; D457-R460 WeakPolarHBondContact OD2-CG 3.22Å; D457-R461 CarbonylContact O-C 3.48Å; D457-R461 WeakPolarHBondContact O-CA 3.47Å; D457-R461 PolarHBondContact O-N 2.58Å; D457-T462 PolarHBondContact N-O 2.84Å; D457-T462 PolarHBondContact O-N 2.86Å |
| 458 | H | 74.9 | Confident | 77.2 | Confident | 28 Ų | 28 | 55.2 Ų | 55.2 | 13% | 0.13 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -21.5 | 176.9 | -59.9 | -70.7 | 0 | 0 | 0 | 113.1 | G442 E444 Y483 | G442-H458 WeakPolarHBondContact O-CA 3.49Å; G442-H458 VanDerWaalsContact O-CB 3.28Å; G442-H458 WeakPolarHBondContact O-CB 3.47Å; G442-H458 PolarHBondContact O-CD2 2.87Å; G442-H458 VanDerWaalsContact O-CD2 3.22Å; G442-H458 PolarHBondContact O-N 2.76Å; E444-H458 VanDerWaalsContact CB-NE2 3.31Å; E444-H458 WeakPolarHBondContact CB-NE2 3.38Å; E444-H458 IonicContact OE2-CE1 2.79Å; E444-H458 PolarHBondContact OE2-CE1 3.36Å; E444-H458 IonicContact OE2-NE2 3.26Å; E444-H458 PolarHBondContact OE2-NE2 2.74Å; H458-Y483 HydrophobicContact CB-CE2 4.41Å; H458-Y483 AromaticContact ND1-CE2 3.36Å; H458-Y483 WeakPolarHBondContact ND1-CE2 3.15Å; H458-Y483 AromaticContact ND1-CZ 3.59Å; H458-Y483 PolarHBondContact ND1-OH 2.9Å |
| 459 | N | 76.6 | Confident | 77.8 | Confident | 104 Ų | 104 | 56.4 Ų | 56.4 | 56% | 0.556 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -43.1 | 177.7 | -51.5 | -55.1 | 0 | 0 | 0 | 110.2 | E441 D457 | E441-N459 PolarHBondContact O-ND2 2.92Å; D457-N459 VanDerWaalsContact C-N 3.28Å; D457-N459 PolarHBondContact O-N 3.12Å; D457-N459 WeakPolarHBondContact OD1-CA 3.15Å; D457-N459 VanDerWaalsContact OD1-CB 3.24Å; D457-N459 WeakPolarHBondContact OD1-CB 3.49Å; D457-N459 PolarHBondContact OD1-N 2.95Å; D457-N459 PolarHBondContact OD1-ND2 2.7Å |
| 460 | R | 79.6 | Confident | 78.8 | Confident | 194 Ų | 194 | 52.2 Ų | 52.2 | 73% | 0.732 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -6.6 | -179.4 | -55.7 | -175.7 | 84 | 178.6 | 6 | 113.5 | D457 T462 | D457-R460 HydrophobicContact CB-CB 4.5Å; D457-R460 PolarHBondContact OD1-N 3.47Å; D457-R460 WeakPolarHBondContact OD2-CB 3.42Å; D457-R460 WeakPolarHBondContact OD2-CD 3.37Å; D457-R460 WeakPolarHBondContact OD2-CG 3.22Å; R460-T462 VanDerWaalsContact C-N 3.28Å; R460-T462 HydrophobicContact CB-CG2 4.37Å; R460-T462 PolarHBondContact O-N 2.8Å |
| 461 | R | 77.4 | Confident | 79.6 | Confident | 117 Ų | 117 | 49 Ų | 49 | 44% | 0.442 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 43.8 | -176 | -53.6 | 178.4 | -175.9 | -155 | -8.3 | 112.2 | D457 Y483 E855 | D457-R461 CarbonylContact O-C 3.48Å; D457-R461 WeakPolarHBondContact O-CA 3.47Å; D457-R461 PolarHBondContact O-N 2.58Å; R461-Y483 HydrophobicContact CB-CD1 4.17Å; R461-Y483 HydrophobicContact CB-CD2 4.23Å; R461-Y483 HydrophobicContact CB-CE1 4.31Å; R461-Y483 HydrophobicContact CB-CE2 4.36Å; R461-Y483 HydrophobicContact CB-CG 4.12Å; R461-Y483 HydrophobicContact CG-CE1 4.37Å; R461-Y483 WeakPolarHBondContact O-CB 3.41Å; R461-E855 IonicContact CZ-OE1 3.33Å; R461-E855 IonicContact CZ-OE2 3.79Å; R461-E855 IonicContact NH1-OE1 3.12Å; R461-E855 PolarHBondContact NH1-OE1 3.45Å; R461-E855 IonicContact NH1-OE2 3.85Å; R461-E855 PolarHBondContact NH1-OE2 3.17Å; R461-E855 IonicContact NH2-OE1 3.1Å; R461-E855 IonicContact NH2-OE2 2.73Å; R461-E855 PolarHBondContact NH2-OE2 3.16Å |
| 462 | T | 83.7 | Confident | 80.6 | Confident | 68 Ų | 68 | 55.1 Ų | 55.1 | 42% | 0.417 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 165.1 | -179.5 | 55.2 | 0 | 0 | 0 | 0 | 110.4 | D457 R460 | D457-T462 PolarHBondContact N-O 2.84Å; D457-T462 PolarHBondContact O-N 2.86Å; R460-T462 VanDerWaalsContact C-N 3.28Å; R460-T462 HydrophobicContact CB-CG2 4.37Å; R460-T462 PolarHBondContact O-N 2.8Å |
| 463 | T | 86.8 | Confident | 80.9 | Confident | 29 Ų | 29 | 55 Ų | 55 | 18% | 0.178 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 149.6 | 170.4 | 69.2 | 0 | 0 | 0 | 0 | 109.5 | Y454 F455 V456 I481 | Y454-T463 HydrophobicContact CD2-CG2 4.46Å; Y454-T463 HydrophobicContact CE2-CG2 4.29Å; F455-T463 CarbonylContact O-C 3.58Å; F455-T463 WeakPolarHBondContact O-CA 3.24Å; V456-T463 HydrophobicContact CG1-CG2 4.35Å; V456-T463 HydrophobicContact CG2-CG2 4.06Å; T463-I481 HydrophobicContact CG2-CB 4.47Å; T463-I481 HydrophobicContact CG2-CG2 4.31Å; T463-I481 PolarHBondContact OG1-O 2.78Å |
| 464 | T | 86.5 | Confident | 80.9 | Confident | 39 Ų | 39 | 56 Ų | 56 | 24% | 0.239 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 151.8 | 178.3 | 179.7 | 0 | 0 | 0 | 0 | 110.2 | W443 F455 I466 | W443-T464 HydrophobicContact CH2-CG2 3.97Å; W443-T464 HydrophobicContact CZ3-CG2 3.62Å; F455-T464 HydrophobicContact CB-CG2 4.19Å; F455-T464 PolarHBondContact N-O 3.08Å; F455-T464 PolarHBondContact O-N 3.06Å; T464-I466 HydrophobicContact CG2-CB 4.41Å; T464-I466 WeakPolarHBondContact CG2-O 3.48Å; T464-I466 WeakPolarHBondContact OG1-CB 3.37Å; T464-I466 PolarHBondContact OG1-N 2.89Å; T464-I466 VanDerWaalsContact OG1-N 3.1Å |
| 465 | Y | 86.2 | Confident | 80.7 | Confident | 24 Ų | 24 | 57.5 Ų | 57.5 | 9% | 0.094 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -81.7 | -5.4 | 169.7 | -68.3 | -79.4 | 0 | 0 | 0 | 112.6 | T448 I452 A453 S473 A474 L475 P479 I481 | T448-Y465 HydrophobicContact CG2-CE1 4.27Å; I452-Y465 HydrophobicContact CG2-CD1 4.15Å; I452-Y465 HydrophobicContact CG2-CE1 4.04Å; A453-Y465 WeakPolarHBondContact O-CD1 3.48Å; Y465-S473 WeakPolarHBondContact CB-OG 3.38Å; Y465-S473 WeakPolarHBondContact O-CA 3.32Å; Y465-A474 PolarHBondContact O-N 3.12Å; Y465-L475 HydrophobicContact CD1-CB 3.9Å; Y465-L475 HydrophobicContact CE1-CB 4.34Å; Y465-L475 HydrophobicContact CE1-CD2 4.14Å; Y465-L475 HydrophobicContact CG-CB 4.04Å; Y465-P479 WeakPolarHBondContact CE2-O 3.23Å; Y465-P479 PolarHBondContact OH-O 3.4Å; Y465-I481 HydrophobicContact CE1-CD1 4.13Å; Y465-I481 WeakPolarHBondContact OH-CD1 3.41Å |
| 466 | I | 85.4 | Confident | 79.8 | Confident | 79 Ų | 79 | 63.8 Ų | 63.8 | 41% | 0.405 | 34% | 0.335 | S | S | . | . | B | Isolated β-bridge | trans | -84.9 | 121.2 | -178.3 | -56.2 | 171.3 | 0 | 0 | 0 | 109.7 | F455 T464 P468 | F455-I466 VanDerWaalsContact CD2-C 3.45Å; F455-I466 VanDerWaalsContact CD2-O 3.31Å; F455-I466 WeakPolarHBondContact CD2-O 3.2Å; T464-I466 HydrophobicContact CG2-CB 4.41Å; T464-I466 WeakPolarHBondContact CG2-O 3.48Å; T464-I466 WeakPolarHBondContact OG1-CB 3.37Å; T464-I466 PolarHBondContact OG1-N 2.89Å; T464-I466 VanDerWaalsContact OG1-N 3.1Å; I466-P468 WeakPolarHBondContact O-CD 3.45Å |
| 467 | D | 82.8 | Confident | 79.1 | Confident | 7 Ų | 7 | 72 Ų | 72 | 4% | 0.037 | 38% | 0.378 | C | S | . | . | trans | -67.1 | 119 | 174 | -173.3 | -34.9 | 0 | 0 | 0 | 109.7 | F455 R469 T470 G471 K472 | F455-D467 HydrophobicContact CD2-CB 4.27Å; F455-D467 HydrophobicContact CE1-CB 3.96Å; F455-D467 HydrophobicContact CE2-CB 3.52Å; F455-D467 HydrophobicContact CZ-CB 3.33Å; F455-D467 VanDerWaalsContact CZ-CG 3.44Å; F455-D467 WeakPolarHBondContact CZ-OD2 3.36Å; D467-R469 PolarHBondContact O-N 3.47Å; D467-R469 VanDerWaalsContact O-N 3.09Å; D467-R469 VanDerWaalsContact OD1-CB 3.23Å; D467-R469 WeakPolarHBondContact OD1-CB 3.44Å; D467-R469 WeakPolarHBondContact OD1-CG 3.44Å; D467-R469 IonicContact OD1-CZ 3.06Å; D467-R469 PolarHBondContact OD1-N 3.21Å; D467-R469 IonicContact OD1-NE 2.73Å; D467-R469 PolarHBondContact OD1-NE 3.15Å; D467-R469 IonicContact OD1-NH2 3.97Å; D467-R469 IonicContact OD2-CZ 2.83Å; D467-R469 IonicContact OD2-NE 2.79Å; D467-R469 PolarHBondContact OD2-NE 2.93Å; D467-R469 IonicContact OD2-NH2 2.95Å; D467-R469 PolarHBondContact OD2-NH2 3.25Å; D467-T470 WeakPolarHBondContact CB-OG1 3.3Å; D467-T470 PolarHBondContact O-N 3.44Å; D467-G471 WeakPolarHBondContact O-CA 3.45Å; D467-G471 PolarHBondContact O-N 3.05Å; D467-K472 PolarHBondContact N-O 3.23Å | ||
| 468 | P | 82.6 | Confident | 78.2 | Confident | 41 Ų | 41 | 72.8 Ų | 72.8 | 27% | 0.266 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -17 | -177 | 30.6 | -40 | 0 | 0 | 0 | 113.3 | L439 P440 W443 I466 | L439-P468 HydrophobicContact CD2-CG 3.83Å; P440-P468 HydrophobicContact CG-CB 4.16Å; P440-P468 HydrophobicContact CG-CG 4.29Å; W443-P468 HydrophobicContact CB-CG 4.31Å; W443-P468 HydrophobicContact CD2-CB 3.71Å; W443-P468 HydrophobicContact CD2-CG 3.6Å; W443-P468 HydrophobicContact CE3-CB 3.72Å; W443-P468 HydrophobicContact CE3-CG 3.42Å; W443-P468 VanDerWaalsContact CE3-CG 3.42Å; W443-P468 HydrophobicContact CG-CB 4.35Å; W443-P468 HydrophobicContact CG-CG 4.01Å; W443-P468 HydrophobicContact CH2-CB 3.91Å; W443-P468 HydrophobicContact CH2-CG 4.49Å; W443-P468 HydrophobicContact CZ2-CB 3.94Å; W443-P468 HydrophobicContact CZ3-CB 3.8Å; W443-P468 HydrophobicContact CZ3-CG 3.89Å; I466-P468 WeakPolarHBondContact O-CD 3.45Å |
| 469 | R | 81.2 | Confident | 78.2 | Confident | 54 Ų | 54 | 76 Ų | 76 | 20% | 0.204 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -29.9 | -179.6 | -55.9 | 166.5 | -69.5 | -174.4 | -1.6 | 112.6 | N435 K437 P438 L439 D467 | N435-R469 PolarHBondContact O-NH1 3.23Å; N435-R469 VanDerWaalsContact O-NH1 3.08Å; K437-R469 WeakPolarHBondContact O-CD 3.49Å; K437-R469 PolarHBondContact O-NH1 3.14Å; P438-R469 WeakPolarHBondContact O-CD 3.48Å; L439-R469 HydrophobicContact CD2-CG 4.19Å; D467-R469 PolarHBondContact O-N 3.47Å; D467-R469 VanDerWaalsContact O-N 3.09Å; D467-R469 VanDerWaalsContact OD1-CB 3.23Å; D467-R469 WeakPolarHBondContact OD1-CB 3.44Å; D467-R469 WeakPolarHBondContact OD1-CG 3.44Å; D467-R469 IonicContact OD1-CZ 3.06Å; D467-R469 PolarHBondContact OD1-N 3.21Å; D467-R469 IonicContact OD1-NE 2.73Å; D467-R469 PolarHBondContact OD1-NE 3.15Å; D467-R469 IonicContact OD1-NH2 3.97Å; D467-R469 IonicContact OD2-CZ 2.83Å; D467-R469 IonicContact OD2-NE 2.79Å; D467-R469 PolarHBondContact OD2-NE 2.93Å; D467-R469 IonicContact OD2-NH2 2.95Å; D467-R469 PolarHBondContact OD2-NH2 3.25Å |
| 470 | T | 80 | Confident | 78.1 | Confident | 59 Ų | 59 | 80.4 Ų | 80.4 | 36% | 0.362 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | -16.1 | -170.5 | 68.6 | 0 | 0 | 0 | 0 | 113.5 | N435 D467 K472 | N435-T470 HydrophobicContact CB-CG2 4.23Å; N435-T470 VanDerWaalsContact ND2-CG2 3.28Å; N435-T470 WeakPolarHBondContact ND2-CG2 3.3Å; D467-T470 WeakPolarHBondContact CB-OG1 3.3Å; D467-T470 PolarHBondContact O-N 3.44Å; T470-K472 PolarHBondContact O-N 3.01Å; T470-K472 WeakPolarHBondContact OG1-CB 3.22Å; T470-K472 PolarHBondContact OG1-N 3.09Å |
| 471 | G | 80 | Confident | 77.9 | Confident | 56 Ų | 56 | 73 Ų | 73 | 58% | 0.577 | 40% | 0.403 | S | S | * | . | trans | 68.6 | 6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | D467 | D467-G471 WeakPolarHBondContact O-CA 3.45Å; D467-G471 PolarHBondContact O-N 3.05Å | ||
| 472 | K | 78.3 | Confident | 77.8 | Confident | 152 Ų | 152 | 71 Ų | 71 | 66% | 0.661 | 41% | 0.412 | S | S | * | . | trans | -86.8 | 134.3 | 179.8 | -64.5 | -175.5 | 177.7 | -178 | 0 | 110.4 | D467 T470 | D467-K472 PolarHBondContact N-O 3.23Å; T470-K472 PolarHBondContact O-N 3.01Å; T470-K472 WeakPolarHBondContact OG1-CB 3.22Å; T470-K472 PolarHBondContact OG1-N 3.09Å | ||
| 473 | S | 78.1 | Confident | 77.3 | Confident | 49 Ų | 49 | 70.1 Ų | 70.1 | 34% | 0.343 | 40% | 0.401 | S | S | . | . | B | Isolated β-bridge | trans | -83.7 | 134.2 | 172.6 | -158.1 | 0 | 0 | 0 | 0 | 111 | Y465 L475 | Y465-S473 WeakPolarHBondContact CB-OG 3.38Å; Y465-S473 WeakPolarHBondContact O-CA 3.32Å; S473-L475 PolarHBondContact OG-N 2.74Å; S473-L475 PolarHBondContact OG-O 3.1Å |
| 474 | A | 71.7 | Confident | 76.3 | Confident | 36 Ų | 36 | 72.5 Ų | 72.5 | 30% | 0.298 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -73.1 | -19.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I452 A453 Y465 | I452-A474 HydrophobicContact CG2-CB 4.43Å; A453-A474 HydrophobicContact CB-CB 4.18Å; A453-A474 WeakPolarHBondContact O-CB 3.45Å; Y465-A474 PolarHBondContact O-N 3.12Å |
| 475 | L | 76.4 | Confident | 75.4 | Confident | 57 Ų | 57 | 72.3 Ų | 72.3 | 30% | 0.298 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -153.5 | 129.4 | 178.9 | -171.3 | 65.9 | 0 | 0 | 0 | 110.7 | I452 Y465 S473 | I452-L475 HydrophobicContact CD1-CD1 4.3Å; I452-L475 HydrophobicContact CD1-CD2 4Å; I452-L475 HydrophobicContact CG2-CB 4.03Å; I452-L475 HydrophobicContact CG2-CD2 4.36Å; Y465-L475 HydrophobicContact CD1-CB 3.9Å; Y465-L475 HydrophobicContact CE1-CB 4.34Å; Y465-L475 HydrophobicContact CE1-CD2 4.14Å; Y465-L475 HydrophobicContact CG-CB 4.04Å; S473-L475 PolarHBondContact OG-N 2.74Å; S473-L475 PolarHBondContact OG-O 3.1Å |
| 476 | D | 63.8 | Low | 74.8 | Confident | 139 Ų | 139 | 74.1 Ų | 74.1 | 74% | 0.743 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 125.9 | 172.8 | -71.1 | -26.2 | 0 | 0 | 0 | 109.8 | G478 | D476-G478 PolarHBondContact O-N 3.17Š|
| 477 | N | 66.4 | Low | 74.4 | Confident | 173 Ų | 173 | 70.6 Ų | 70.6 | 93% | 0.925 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 42.5 | -180 | -59.6 | -36.4 | 0 | 0 | 0 | 115.6 | ||
| 478 | G | 64.6 | Low | 74.1 | Confident | 23 Ų | 23 | 74.7 Ų | 74.7 | 24% | 0.237 | 42% | 0.421 | C | S | . | . | trans | -69.2 | 161.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | D476 | D476-G478 PolarHBondContact O-N 3.17Š| ||
| 479 | P | 74.1 | Confident | 73.6 | Confident | 96 Ų | 96 | 73.7 Ų | 73.7 | 62% | 0.623 | 42% | 0.416 | S | S | * | . | trans | -60.3 | 143.2 | 175.9 | 26.2 | -33.5 | 0 | 0 | 0 | 111.3 | Y465 I481 | Y465-P479 WeakPolarHBondContact CE2-O 3.23Å; Y465-P479 PolarHBondContact OH-O 3.4Å; P479-I481 PolarHBondContact O-N 3.05Å; P479-I481 VanDerWaalsContact O-N 3.14Å | ||
| 480 | Q | 73.4 | Confident | 73.4 | Confident | 196 Ų | 196 | 71.3 Ų | 71.3 | 92% | 0.916 | 41% | 0.407 | S | S | * | . | trans | -68.5 | 114 | 177.8 | -168.9 | 172.3 | 5.6 | 0 | 0 | 109.8 | ||||
| 481 | I | 77 | Confident | 73.5 | Confident | 39 Ų | 39 | 68.6 Ų | 68.6 | 20% | 0.2 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -81.9 | 135.8 | 176.3 | -58.6 | 173.2 | 0 | 0 | 0 | 108.3 | T448 Y454 T463 Y465 P479 | T448-I481 HydrophobicContact CG2-CD1 3.81Å; Y454-I481 HydrophobicContact CD1-CD1 3.57Å; Y454-I481 HydrophobicContact CD2-CD1 3.69Å; Y454-I481 HydrophobicContact CD2-CG2 4.43Å; Y454-I481 HydrophobicContact CE1-CD1 3.84Å; Y454-I481 HydrophobicContact CE2-CD1 3.96Å; Y454-I481 HydrophobicContact CE2-CG2 3.86Å; Y454-I481 HydrophobicContact CG-CD1 3.48Å; Y454-I481 VanDerWaalsContact CG-CD1 3.48Å; T463-I481 HydrophobicContact CG2-CB 4.47Å; T463-I481 HydrophobicContact CG2-CG2 4.31Å; T463-I481 PolarHBondContact OG1-O 2.78Å; Y465-I481 HydrophobicContact CE1-CD1 4.13Å; Y465-I481 WeakPolarHBondContact OH-CD1 3.41Å; P479-I481 PolarHBondContact O-N 3.05Å; P479-I481 VanDerWaalsContact O-N 3.14Å |
| 482 | A | 74.1 | Confident | 73.3 | Confident | 76 Ų | 76 | 70.4 Ų | 70.4 | 63% | 0.628 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -76.1 | 140.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | V484 | A482-V484 PolarHBondContact O-N 3.25Š|
| 483 | Y | 72.8 | Confident | 73.2 | Confident | 48 Ų | 48 | 64.8 Ų | 64.8 | 19% | 0.188 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 122.5 | 170 | 175.2 | -89.3 | 0 | 0 | 0 | 109.7 | V456 H458 R461 R485 | V456-Y483 HydrophobicContact CG1-CD2 3.5Å; V456-Y483 VanDerWaalsContact CG1-CD2 3.5Å; V456-Y483 HydrophobicContact CG1-CE2 3.57Å; H458-Y483 HydrophobicContact CB-CE2 4.41Å; H458-Y483 AromaticContact ND1-CE2 3.36Å; H458-Y483 WeakPolarHBondContact ND1-CE2 3.15Å; H458-Y483 AromaticContact ND1-CZ 3.59Å; H458-Y483 PolarHBondContact ND1-OH 2.9Å; R461-Y483 HydrophobicContact CB-CD1 4.17Å; R461-Y483 HydrophobicContact CB-CD2 4.23Å; R461-Y483 HydrophobicContact CB-CE1 4.31Å; R461-Y483 HydrophobicContact CB-CE2 4.36Å; R461-Y483 HydrophobicContact CB-CG 4.12Å; R461-Y483 HydrophobicContact CG-CE1 4.37Å; R461-Y483 WeakPolarHBondContact O-CB 3.41Å; Y483-R485 HydrophobicContact CE1-CG 3.9Å; Y483-R485 PolarHBondContact OH-NE 3.48Å |
| 484 | V | 66.8 | Low | 73.4 | Confident | 79 Ų | 79 | 62.5 Ų | 62.5 | 48% | 0.479 | 34% | 0.343 | S | S | . | . | trans | -135.3 | 131.2 | 175.8 | -177.8 | 0 | 0 | 0 | 0 | 109.5 | R446 A482 D486 | R446-V484 PolarHBondContact NH1-O 2.92Å; R446-V484 PolarHBondContact NH2-O 2.81Å; A482-V484 PolarHBondContact O-N 3.25Å; V484-D486 HydrophobicContact CG1-CB 4.32Å; V484-D486 PolarHBondContact O-N 3.31Å | ||
| 485 | R | 67.4 | Low | 73.9 | Confident | 36 Ų | 36 | 61.7 Ų | 61.7 | 14% | 0.136 | 33% | 0.332 | C | S | . | . | trans | -76.5 | 71.8 | 169.1 | -74.1 | -175 | 164.5 | 174.6 | -9 | 110.2 | Y483 F487 E854 E855 | Y483-R485 HydrophobicContact CE1-CG 3.9Å; Y483-R485 PolarHBondContact OH-NE 3.48Å; R485-F487 PolarHBondContact O-N 3.34Å; R485-E854 PolarHBondContact NH1-O 2.87Å; R485-E855 IonicContact NH1-OE2 2.96Å | ||
| 486 | D | 73.6 | Confident | 73.9 | Confident | 61 Ų | 61 | 60.2 Ų | 60.2 | 33% | 0.326 | 32% | 0.323 | S | S | . | . | trans | -84.4 | 95.3 | 178.7 | -173.3 | -13 | 0 | 0 | 0 | 110.5 | V484 K488 A489 K490 | V484-D486 HydrophobicContact CG1-CB 4.32Å; V484-D486 PolarHBondContact O-N 3.31Å; D486-K488 VanDerWaalsContact C-N 3.26Å; D486-K488 PolarHBondContact O-N 3.38Å; D486-K488 WeakPolarHBondContact OD1-CA 3.47Å; D486-K488 WeakPolarHBondContact OD1-CB 3.05Å; D486-K488 PolarHBondContact OD1-N 3.46Å; D486-A489 HydrophobicContact CB-CB 3.96Å; D486-A489 PolarHBondContact O-N 3.08Å; D486-A489 PolarHBondContact OD1-N 3.25Å; D486-A489 WeakPolarHBondContact OD2-CB 3.39Å; D486-K490 WeakPolarHBondContact O-CG 3.49Å; D486-K490 PolarHBondContact O-N 3.27Å | ||
| 487 | F | 77.2 | Confident | 74.7 | Confident | 5 Ų | 5 | 56 Ų | 56 | 2% | 0.022 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.9 | -36.7 | 177.5 | 176.3 | -117.8 | 0 | 0 | 0 | 111.7 | Y379 R485 K490 V491 F732 E736 V739 E781 | Y379-F487 HydrophobicContact CD2-CD1 4.44Å; R485-F487 PolarHBondContact O-N 3.34Å; F487-K490 WeakPolarHBondContact O-CB 3.2Å; F487-K490 PolarHBondContact O-N 3.18Å; F487-V491 HydrophobicContact CD1-CG2 4.3Å; F487-V491 HydrophobicContact CD2-CG2 4.02Å; F487-V491 HydrophobicContact CE1-CG2 3.9Å; F487-V491 HydrophobicContact CE2-CG2 3.6Å; F487-V491 HydrophobicContact CG-CG2 4.36Å; F487-V491 HydrophobicContact CZ-CG2 3.54Å; F487-V491 VanDerWaalsContact O-CG2 3.28Å; F487-V491 WeakPolarHBondContact O-CG2 3.49Å; F487-V491 PolarHBondContact O-N 3.01Å; F487-F732 HydrophobicContact CD2-CD1 4.31Å; F487-F732 HydrophobicContact CD2-CE1 4.17Å; F487-F732 HydrophobicContact CE2-CD1 4.14Å; F487-F732 AromaticContact CE2-CE1 3.97Å; F487-F732 HydrophobicContact CE2-CE1 3.97Å; F487-E736 HydrophobicContact CD2-CB 3.74Å; F487-E736 HydrophobicContact CD2-CG 3.59Å; F487-E736 HydrophobicContact CE2-CB 3.69Å; F487-E736 HydrophobicContact CE2-CG 4.06Å; F487-E736 WeakPolarHBondContact CE2-O 3.29Å; F487-E736 HydrophobicContact CG-CG 4.4Å; F487-V739 HydrophobicContact CE1-CB 4.36Å; F487-V739 HydrophobicContact CE1-CG1 3.63Å; F487-V739 HydrophobicContact CZ-CB 4.02Å; F487-V739 HydrophobicContact CZ-CG1 3.69Å; F487-E781 WeakPolarHBondContact CB-OE1 3.37Å |
| 488 | K | 75.6 | Confident | 75.5 | Confident | 93 Ų | 93 | 48 Ų | 48 | 40% | 0.404 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.6 | -45.2 | -179.9 | 179.9 | 179.6 | 177.6 | -175.5 | 0 | 111.3 | Y379 D486 V491 Q492 | Y379-K488 HydrophobicContact CD1-CD 4.39Å; Y379-K488 HydrophobicContact CD2-CB 4.28Å; Y379-K488 HydrophobicContact CD2-CG 4.5Å; Y379-K488 HydrophobicContact CG-CB 4.46Å; Y379-K488 HydrophobicContact CG-CD 4.44Å; Y379-K488 HydrophobicContact CG-CG 4.18Å; D486-K488 VanDerWaalsContact C-N 3.26Å; D486-K488 PolarHBondContact O-N 3.38Å; D486-K488 WeakPolarHBondContact OD1-CA 3.47Å; D486-K488 WeakPolarHBondContact OD1-CB 3.05Å; D486-K488 PolarHBondContact OD1-N 3.46Å; K488-V491 PolarHBondContact O-N 2.95Å; K488-Q492 WeakPolarHBondContact O-CG 3.49Å; K488-Q492 PolarHBondContact O-N 2.82Å |
| 489 | A | 72.3 | Confident | 76.3 | Confident | 20 Ų | 20 | 51.4 Ų | 51.4 | 17% | 0.165 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D486 V491 Q492 Y493 | D486-A489 HydrophobicContact CB-CB 3.96Å; D486-A489 PolarHBondContact O-N 3.08Å; D486-A489 PolarHBondContact OD1-N 3.25Å; D486-A489 WeakPolarHBondContact OD2-CB 3.39Å; A489-V491 VanDerWaalsContact C-N 3.33Å; A489-V491 PolarHBondContact O-N 3.23Å; A489-Q492 PolarHBondContact O-N 3.45Å; A489-Y493 PolarHBondContact O-N 2.85Å |
| 490 | K | 78.4 | Confident | 76.6 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 2% | 0.022 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.9 | -46.4 | 174.8 | -73.4 | -178.4 | -177.9 | -169.7 | 0 | 112 | E444 D486 F487 Y493 F494 Y731 F732 E736 | E444-K490 WeakPolarHBondContact OE1-CG 3.43Å; D486-K490 WeakPolarHBondContact O-CG 3.49Å; D486-K490 PolarHBondContact O-N 3.27Å; F487-K490 WeakPolarHBondContact O-CB 3.2Å; F487-K490 PolarHBondContact O-N 3.18Å; K490-Y493 PolarHBondContact O-N 3.24Å; K490-F494 WeakPolarHBondContact O-CB 3.41Å; K490-F494 PolarHBondContact O-N 2.65Å; K490-Y731 HydrophobicContact CB-CD2 4.24Å; K490-Y731 HydrophobicContact CB-CE2 3.86Å; K490-Y731 HydrophobicContact CD-CD2 4.08Å; K490-Y731 HydrophobicContact CD-CE2 4.5Å; K490-Y731 HydrophobicContact CG-CD2 3.98Å; K490-Y731 HydrophobicContact CG-CE2 4.1Å; K490-Y731 PolarHBondContact NZ-O 3Å; K490-F732 HydrophobicContact CB-CD1 4.24Å; K490-F732 HydrophobicContact CB-CE1 3.52Å; K490-F732 HydrophobicContact CB-CZ 4.04Å; K490-F732 HydrophobicContact CD-CD1 4.12Å; K490-F732 HydrophobicContact CD-CE1 4.23Å; K490-E736 VanDerWaalsContact NZ-CD 3.34Å; K490-E736 IonicContact NZ-OE1 2.87Å; K490-E736 PolarHBondContact NZ-OE1 3.47Å; K490-E736 VanDerWaalsContact NZ-OE1 3.12Å; K490-E736 IonicContact NZ-OE2 3.24Å; K490-E736 PolarHBondContact NZ-OE2 2.74Å |
| 491 | V | 82.1 | Confident | 77.1 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.7 | -42.7 | 177.6 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | I378 Y379 F487 K488 A489 Y493 F494 R495 F732 L740 | I378-V491 HydrophobicContact CG2-CG1 3.9Å; Y379-V491 WeakPolarHBondContact O-CG1 3.26Å; F487-V491 HydrophobicContact CD1-CG2 4.3Å; F487-V491 HydrophobicContact CD2-CG2 4.02Å; F487-V491 HydrophobicContact CE1-CG2 3.9Å; F487-V491 HydrophobicContact CE2-CG2 3.6Å; F487-V491 HydrophobicContact CG-CG2 4.36Å; F487-V491 HydrophobicContact CZ-CG2 3.54Å; F487-V491 VanDerWaalsContact O-CG2 3.28Å; F487-V491 WeakPolarHBondContact O-CG2 3.49Å; F487-V491 PolarHBondContact O-N 3.01Å; K488-V491 PolarHBondContact O-N 2.95Å; A489-V491 VanDerWaalsContact C-N 3.33Å; A489-V491 PolarHBondContact O-N 3.23Å; V491-Y493 VanDerWaalsContact C-N 3.34Å; V491-Y493 PolarHBondContact O-N 2.9Å; V491-F494 WeakPolarHBondContact O-CB 3.38Å; V491-F494 PolarHBondContact O-N 3.19Å; V491-R495 HydrophobicContact CG1-CG 4.2Å; V491-R495 WeakPolarHBondContact O-CB 3.41Å; V491-R495 WeakPolarHBondContact O-CG 3.28Å; V491-R495 PolarHBondContact O-N 3.28Å; V491-F732 HydrophobicContact CG2-CE1 4.17Å; V491-F732 HydrophobicContact CG2-CZ 4.45Å; V491-L740 HydrophobicContact CG1-CD1 4.29Å; V491-L740 HydrophobicContact CG2-CD1 4.11Å |
| 492 | Q | 75.6 | Confident | 77.6 | Confident | 94 Ų | 94 | 45.4 Ų | 45.4 | 44% | 0.439 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.3 | -43.7 | 177.2 | -73.4 | 175.4 | -21.8 | 0 | 0 | 111.8 | K488 A489 R495 F496 | K488-Q492 WeakPolarHBondContact O-CG 3.49Å; K488-Q492 PolarHBondContact O-N 2.82Å; A489-Q492 PolarHBondContact O-N 3.45Å; Q492-R495 PolarHBondContact O-N 3.4Å; Q492-F496 PolarHBondContact O-N 3.25Å |
| 493 | Y | 75.4 | Confident | 78.1 | Confident | 35 Ų | 35 | 45.1 Ų | 45.1 | 14% | 0.137 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.5 | -43.3 | 176.3 | -175.5 | -105.6 | 0 | 0 | 0 | 112.5 | M445 A489 K490 V491 R495 F496 W497 Y731 | M445-Y493 HydrophobicContact CE-CE2 4.01Å; M445-Y493 WeakPolarHBondContact CE-OH 2.99Å; A489-Y493 PolarHBondContact O-N 2.85Å; K490-Y493 PolarHBondContact O-N 3.24Å; V491-Y493 VanDerWaalsContact C-N 3.34Å; V491-Y493 PolarHBondContact O-N 2.9Å; Y493-R495 VanDerWaalsContact C-N 3.32Å; Y493-R495 PolarHBondContact O-N 2.67Å; Y493-F496 WeakPolarHBondContact O-CB 3.47Å; Y493-F496 PolarHBondContact O-N 3.38Å; Y493-W497 AromaticContact CD1-CD1 4Å; Y493-W497 AromaticContact CE1-CD1 3.6Å; Y493-W497 AromaticContact CE1-NE1 3.44Å; Y493-W497 AromaticContact CE2-NE1 3.48Å; Y493-W497 AromaticContact CZ-CD1 3.63Å; Y493-W497 AromaticContact CZ-NE1 3.01Å; Y493-W497 PolarHBondContact O-N 2.9Å; Y493-W497 PolarHBondContact OH-NE1 3.38Å; Y493-Y731 HydrophobicContact CD1-CE1 4.4Å |
| 494 | F | 83.3 | Confident | 78.5 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.7 | -47.3 | 172.5 | 177.1 | -111.6 | 0 | 0 | 0 | 112.1 | K490 V491 F496 W497 C498 L608 L724 Y728 V729 Y731 F732 L740 | K490-F494 WeakPolarHBondContact O-CB 3.41Å; K490-F494 PolarHBondContact O-N 2.65Å; V491-F494 WeakPolarHBondContact O-CB 3.38Å; V491-F494 PolarHBondContact O-N 3.19Å; F494-F496 VanDerWaalsContact C-N 3.35Å; F494-F496 PolarHBondContact O-N 3.3Å; F494-W497 PolarHBondContact O-N 3.14Å; F494-C498 WeakPolarHBondContact CZ-SG 3.36Å; F494-C498 PolarHBondContact O-N 3.38Å; F494-C498 PolarHBondContact O-SG 3.41Å; F494-L608 HydrophobicContact CE1-CB 4.43Å; F494-L608 WeakPolarHBondContact CE1-O 3.35Å; F494-L608 HydrophobicContact CZ-CB 4.02Å; F494-L724 HydrophobicContact CE2-CD1 3.93Å; F494-L724 HydrophobicContact CE2-CD2 3.79Å; F494-L724 HydrophobicContact CE2-CG 4.4Å; F494-L724 HydrophobicContact CZ-CD1 4.24Å; F494-L724 HydrophobicContact CZ-CD2 3.66Å; F494-Y728 WeakPolarHBondContact CD2-O 3.21Å; F494-V729 HydrophobicContact CD2-CG1 4.42Å; F494-V729 HydrophobicContact CE2-CG1 3.79Å; F494-V729 HydrophobicContact CZ-CG1 4.46Å; F494-Y731 WeakPolarHBondContact CA-OH 3.45Å; F494-Y731 VanDerWaalsContact CB-OH 3.24Å; F494-Y731 WeakPolarHBondContact CB-OH 3.37Å; F494-Y731 PolarHBondContact N-OH 3.33Å; F494-F732 HydrophobicContact CB-CE2 4.01Å; F494-F732 HydrophobicContact CB-CZ 3.87Å; F494-F732 HydrophobicContact CD2-CE2 4.15Å; F494-F732 HydrophobicContact CG-CE2 4.08Å; F494-F732 HydrophobicContact CG-CZ 4.29Å; F494-L740 HydrophobicContact CD1-CD1 4.46Å; F494-L740 HydrophobicContact CD1-CD2 3.98Å; F494-L740 HydrophobicContact CE1-CD2 3.98Å; F494-L740 HydrophobicContact CG-CD2 4.5Å |
| 495 | R | 81.4 | Confident | 79.6 | Confident | 19 Ų | 19 | 50.4 Ų | 50.4 | 7% | 0.072 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64 | -40.3 | -179.4 | -69 | -75.7 | 170.2 | -135.8 | -6.9 | 111.8 | V491 Q492 Y493 W497 C498 Q499 L608 G611 | V491-R495 HydrophobicContact CG1-CG 4.2Å; V491-R495 WeakPolarHBondContact O-CB 3.41Å; V491-R495 WeakPolarHBondContact O-CG 3.28Å; V491-R495 PolarHBondContact O-N 3.28Å; Q492-R495 PolarHBondContact O-N 3.4Å; Y493-R495 VanDerWaalsContact C-N 3.32Å; Y493-R495 PolarHBondContact O-N 2.67Å; R495-W497 PolarHBondContact O-N 2.81Å; R495-C498 PolarHBondContact O-N 3.12Å; R495-Q499 WeakPolarHBondContact O-CG 3.15Å; R495-Q499 PolarHBondContact O-N 3.22Å; R495-L608 PolarHBondContact NH1-O 3.22Å; R495-G611 VanDerWaalsContact NH1-N 3.19Å |
| 496 | F | 77.4 | Confident | 80.6 | Confident | 26 Ų | 26 | 52.2 Ų | 52.2 | 11% | 0.114 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -55.8 | -50.6 | 173.8 | 171.2 | -98 | 0 | 0 | 0 | 111.1 | P395 L396 Q492 Y493 F494 C498 Q499 Q500 | P395-F496 HydrophobicContact CB-CD2 4.27Å; P395-F496 HydrophobicContact CG-CD2 3.83Å; P395-F496 HydrophobicContact CG-CE2 4.07Å; L396-F496 HydrophobicContact CD1-CE2 4.46Å; L396-F496 HydrophobicContact CD1-CZ 4.33Å; L396-F496 HydrophobicContact CD2-CE2 4.28Å; L396-F496 HydrophobicContact CD2-CZ 3.85Å; L396-F496 HydrophobicContact CG-CE2 4.17Å; L396-F496 HydrophobicContact CG-CZ 4.16Å; Q492-F496 PolarHBondContact O-N 3.25Å; Y493-F496 WeakPolarHBondContact O-CB 3.47Å; Y493-F496 PolarHBondContact O-N 3.38Å; F494-F496 VanDerWaalsContact C-N 3.35Å; F494-F496 PolarHBondContact O-N 3.3Å; F496-C498 VanDerWaalsContact C-N 3.34Å; F496-C498 PolarHBondContact O-N 3.09Å; F496-Q499 WeakPolarHBondContact O-CB 3.43Å; F496-Q499 PolarHBondContact O-N 3.25Å; F496-Q499 VanDerWaalsContact O-N 3.09Å; F496-Q500 HydrophobicContact CD1-CG 4.25Å; F496-Q500 HydrophobicContact CD2-CG 4.43Å; F496-Q500 HydrophobicContact CE1-CG 3.8Å; F496-Q500 HydrophobicContact CE2-CG 4Å; F496-Q500 HydrophobicContact CZ-CG 3.66Å; F496-Q500 WeakPolarHBondContact O-CG 3.37Å; F496-Q500 PolarHBondContact O-N 2.9Å |
| 497 | W | 79.3 | Confident | 81.5 | Confident | 51 Ų | 51 | 50.1 Ų | 50.1 | 19% | 0.193 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.3 | -37.9 | 178.1 | -80.4 | 107 | 0 | 0 | 0 | 113.5 | Y493 F494 R495 Q499 Q500 L501 Y728 | Y493-W497 AromaticContact CD1-CD1 4Å; Y493-W497 AromaticContact CE1-CD1 3.6Å; Y493-W497 AromaticContact CE1-NE1 3.44Å; Y493-W497 AromaticContact CE2-NE1 3.48Å; Y493-W497 AromaticContact CZ-CD1 3.63Å; Y493-W497 AromaticContact CZ-NE1 3.01Å; Y493-W497 PolarHBondContact O-N 2.9Å; Y493-W497 PolarHBondContact OH-NE1 3.38Å; F494-W497 PolarHBondContact O-N 3.14Å; R495-W497 PolarHBondContact O-N 2.81Å; W497-Q499 VanDerWaalsContact C-N 3.28Å; W497-Q499 PolarHBondContact O-N 2.83Å; W497-Q500 HydrophobicContact CE3-CB 4.45Å; W497-Q500 PolarHBondContact O-N 3.28Å; W497-L501 WeakPolarHBondContact O-CB 2.95Å; W497-L501 VanDerWaalsContact O-CG 3.27Å; W497-L501 WeakPolarHBondContact O-CG 3.29Å; W497-L501 PolarHBondContact O-N 2.97Å; W497-Y728 HydrophobicContact CB-CD1 3.79Å; W497-Y728 HydrophobicContact CB-CE1 3.89Å; W497-Y728 HydrophobicContact CD2-CD1 4.13Å; W497-Y728 AromaticContact CD2-CE1 3.48Å; W497-Y728 HydrophobicContact CD2-CE1 3.48Å; W497-Y728 VanDerWaalsContact CD2-CE1 3.48Å; W497-Y728 AromaticContact CE3-CE1 3.64Å; W497-Y728 HydrophobicContact CE3-CE1 3.64Å; W497-Y728 AromaticContact CG-CD1 3.73Å; W497-Y728 HydrophobicContact CG-CD1 3.73Å; W497-Y728 AromaticContact CG-CE1 3.6Å; W497-Y728 HydrophobicContact CG-CE1 3.6Å; W497-Y728 HydrophobicContact CZ3-CE1 4.36Å |
| 498 | C | 84.7 | Confident | 82.3 | Confident | 6 Ų | 6 | 55.7 Ų | 55.7 | 4% | 0.041 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.4 | -40.1 | 173.5 | -64.3 | 0 | 0 | 0 | 0 | 111.7 | F494 R495 F496 L501 A502 F609 | F494-C498 WeakPolarHBondContact CZ-SG 3.36Å; F494-C498 PolarHBondContact O-N 3.38Å; F494-C498 PolarHBondContact O-SG 3.41Å; R495-C498 PolarHBondContact O-N 3.12Å; F496-C498 VanDerWaalsContact C-N 3.34Å; F496-C498 PolarHBondContact O-N 3.09Å; C498-L501 PolarHBondContact O-N 2.87Å; C498-A502 PolarHBondContact O-N 3.18Å; C498-A502 VanDerWaalsContact O-N 3.09Å; C498-F609 HydrophobicContact CB-CD2 4.21Å; C498-F609 HydrophobicContact CB-CE2 4.23Å; C498-F609 WeakPolarHBondContact O-CZ 3.28Å |
| 499 | Q | 81 | Confident | 83.2 | Confident | 94 Ų | 94 | 51.2 Ų | 51.2 | 44% | 0.439 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.4 | -41.8 | 175.9 | -69.9 | 170.3 | 3.5 | 0 | 0 | 112 | R495 F496 W497 L501 A502 | R495-Q499 WeakPolarHBondContact O-CG 3.15Å; R495-Q499 PolarHBondContact O-N 3.22Å; F496-Q499 WeakPolarHBondContact O-CB 3.43Å; F496-Q499 PolarHBondContact O-N 3.25Å; F496-Q499 VanDerWaalsContact O-N 3.09Å; W497-Q499 VanDerWaalsContact C-N 3.28Å; W497-Q499 PolarHBondContact O-N 2.83Å; Q499-L501 VanDerWaalsContact C-N 3.27Å; Q499-L501 PolarHBondContact O-N 3.45Å; Q499-A502 VanDerWaalsContact O-CB 3.27Å; Q499-A502 WeakPolarHBondContact O-CB 3.45Å; Q499-A502 PolarHBondContact O-N 2.85Å; Q499-A502 VanDerWaalsContact O-N 3.16Å |
| 500 | Q | 79.7 | Confident | 84.3 | Confident | 113 Ų | 113 | 53.2 Ų | 53.2 | 53% | 0.528 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.7 | -32.1 | 177.3 | -65.8 | -56.6 | 97.4 | 0 | 0 | 112.7 | F496 W497 | F496-Q500 HydrophobicContact CD1-CG 4.25Å; F496-Q500 HydrophobicContact CD2-CG 4.43Å; F496-Q500 HydrophobicContact CE1-CG 3.8Å; F496-Q500 HydrophobicContact CE2-CG 4Å; F496-Q500 HydrophobicContact CZ-CG 3.66Å; F496-Q500 WeakPolarHBondContact O-CG 3.37Å; F496-Q500 PolarHBondContact O-N 2.9Å; W497-Q500 HydrophobicContact CE3-CB 4.45Å; W497-Q500 PolarHBondContact O-N 3.28Å |
| 501 | L | 84.5 | Confident | 85.1 | Confident | 42 Ų | 42 | 53 Ų | 53 | 22% | 0.22 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -3.8 | 177.3 | -65.4 | 173.8 | 0 | 0 | 0 | 113.4 | W497 C498 Q499 F609 Y728 | W497-L501 WeakPolarHBondContact O-CB 2.95Å; W497-L501 VanDerWaalsContact O-CG 3.27Å; W497-L501 WeakPolarHBondContact O-CG 3.29Å; W497-L501 PolarHBondContact O-N 2.97Å; C498-L501 PolarHBondContact O-N 2.87Å; Q499-L501 VanDerWaalsContact C-N 3.27Å; Q499-L501 PolarHBondContact O-N 3.45Å; L501-F609 HydrophobicContact CB-CE2 3.91Å; L501-F609 HydrophobicContact CB-CZ 4.23Å; L501-Y728 HydrophobicContact CD1-CD2 4.17Å; L501-Y728 HydrophobicContact CD1-CE2 3.57Å |
| 502 | A | 86.1 | Confident | 85.7 | Confident | 49 Ų | 49 | 55.5 Ų | 55.5 | 41% | 0.405 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 135.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | C498 Q499 F609 | C498-A502 PolarHBondContact O-N 3.18Å; C498-A502 VanDerWaalsContact O-N 3.09Å; Q499-A502 VanDerWaalsContact O-CB 3.27Å; Q499-A502 WeakPolarHBondContact O-CB 3.45Å; Q499-A502 PolarHBondContact O-N 2.85Å; Q499-A502 VanDerWaalsContact O-N 3.16Å; A502-F609 HydrophobicContact CB-CE1 4.46Å; A502-F609 HydrophobicContact CB-CZ 4.31Å |
| 503 | M | 86 | Confident | 86.3 | Confident | 71 Ų | 71 | 55.3 Ų | 55.3 | 35% | 0.35 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 143.5 | 178.9 | -67.5 | -61.7 | -73.1 | 0 | 0 | 110.3 | Q530 R533 R534 | M503-Q530 WeakPolarHBondContact CG-O 3.35Å; M503-R533 HydrophobicContact CG-CB 4.2Å; M503-R533 PolarHBondContact N-O 3.17Å; M503-R534 HydrophobicContact CB-CG 3.5Å |
| 504 | P | 81.4 | Confident | 86.9 | Confident | 89 Ų | 89 | 63.3 Ų | 63.3 | 58% | 0.578 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 164.6 | 178.5 | 28.7 | -35.1 | 0 | 0 | 0 | 111.9 | R534 | P504-R534 PolarHBondContact O-NH1 2.81Å |
| 505 | Q | 88.4 | Confident | 87.2 | Confident | 149 Ų | 149 | 66.3 Ų | 66.3 | 70% | 0.696 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 70.4 | -167.1 | -175.6 | -45.7 | 170.9 | -4.3 | 0 | 0 | 113.1 | R535 | Q505-R535 PolarHBondContact O-N 2.9Å |
| 506 | H | 88.6 | Confident | 87.8 | Confident | 74 Ų | 74 | 65.6 Ų | 65.6 | 34% | 0.343 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 154.1 | -176.4 | 60.3 | 56.9 | 0 | 0 | 0 | 111.4 | R535 W537 | H506-R535 CarbonylContact C-O 3.41Å; H506-R535 WeakPolarHBondContact CA-O 3.24Å; H506-R535 HydrophobicContact CB-CB 4.16Å; H506-R535 VanDerWaalsContact CB-O 3.29Å; H506-R535 WeakPolarHBondContact CB-O 3.23Å; H506-W537 HydrophobicContact CB-CD2 4.31Å; H506-W537 HydrophobicContact CB-CG 4.2Å; H506-W537 AromaticContact CD2-CD2 3.96Å; H506-W537 AromaticContact CD2-CE2 3.55Å; H506-W537 AromaticContact CD2-CH2 3.72Å; H506-W537 AromaticContact CD2-CZ2 3.43Å; H506-W537 VanDerWaalsContact CD2-CZ2 3.43Å; H506-W537 WeakPolarHBondContact CD2-CZ2 3.28Å; H506-W537 AromaticContact CG-CD2 3.88Å; H506-W537 AromaticContact CG-CE2 3.79Å; H506-W537 AromaticContact NE2-CH2 3.59Å; H506-W537 AromaticContact NE2-CZ2 3.84Å; H506-W537 AromaticContact NE2-CZ3 3.73Å |
| 507 | I | 93.9 | Very high | 88.5 | Confident | 16 Ų | 16 | 64.5 Ų | 64.5 | 8% | 0.082 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 146.6 | 166.5 | 56.4 | 167 | 0 | 0 | 0 | 110.7 | I509 L527 D531 L532 R534 R535 L536 W537 | I507-I509 HydrophobicContact CD1-CD1 4.29Å; I507-I509 HydrophobicContact CD1-CG1 4.45Å; I507-L527 HydrophobicContact CD1-CD1 3.76Å; I507-D531 HydrophobicContact CG2-CB 4.06Å; I507-L532 HydrophobicContact CD1-CD2 3.9Å; I507-R534 HydrophobicContact CG2-CB 4.28Å; I507-R535 PolarHBondContact N-O 3.42Å; I507-L536 HydrophobicContact CD1-CD2 3.53Å; I507-L536 HydrophobicContact CG1-CD2 3.67Å; I507-W537 WeakPolarHBondContact O-CB 3.49Å; I507-W537 PolarHBondContact O-N 3.34Å |
| 508 | K | 93.4 | Very high | 89.1 | Confident | 122 Ų | 122 | 65.2 Ų | 65.2 | 53% | 0.53 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 127.2 | 175.8 | -66.5 | -178.5 | -179.2 | -179.6 | 0 | 109.3 | W537 I539 | K508-W537 CarbonylContact C-O 3.6Å; K508-W537 WeakPolarHBondContact CA-O 3.29Å; K508-W537 HydrophobicContact CG-CB 4.31Å; K508-I539 HydrophobicContact CB-CD1 4.35Å; K508-I539 HydrophobicContact CD-CD1 4.13Å; K508-I539 HydrophobicContact CG-CD1 4.31Å |
| 509 | I | 94.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 111.5 | 174.7 | -61.6 | 174.2 | 0 | 0 | 0 | 106.6 | I507 V511 L536 W537 V538 I539 M606 | I507-I509 HydrophobicContact CD1-CD1 4.29Å; I507-I509 HydrophobicContact CD1-CG1 4.45Å; I509-V511 HydrophobicContact CG2-CG1 3.77Å; I509-L536 HydrophobicContact CD1-CD2 4.32Å; I509-W537 PolarHBondContact N-O 2.79Å; I509-V538 HydrophobicContact CB-CG2 4.45Å; I509-V538 CarbonylContact O-C 3.56Å; I509-V538 WeakPolarHBondContact O-CA 3.42Å; I509-I539 PolarHBondContact O-N 3.05Å; I509-M606 HydrophobicContact CD1-CE 4.27Å |
| 510 | T | 95 | Very high | 90.5 | Very high | 61 Ų | 61 | 62 Ų | 62 | 37% | 0.374 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 110.5 | -174.5 | -54.2 | 0 | 0 | 0 | 0 | 109.7 | Q523 I539 P541 | T510-Q523 PolarHBondContact O-NE2 2.91Å; T510-I539 WeakPolarHBondContact CA-O 3.28Å; T510-P541 HydrophobicContact CG2-CG 3.59Å |
| 511 | V | 95.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.293 | C | S | . | . | trans | -133.1 | 143.9 | -170.1 | -66.1 | 0 | 0 | 0 | 0 | 110.5 | I509 L516 D519 V538 I539 F540 P541 | I509-V511 HydrophobicContact CG2-CG1 3.77Å; V511-L516 HydrophobicContact CB-CD1 4.16Å; V511-L516 HydrophobicContact CG2-CD1 3.91Å; V511-D519 HydrophobicContact CB-CB 4.04Å; V511-D519 HydrophobicContact CG1-CB 3.75Å; V511-V538 HydrophobicContact CG2-CG1 3.99Å; V511-I539 PolarHBondContact N-O 3.33Å; V511-F540 HydrophobicContact CG2-CD1 4.01Å; V511-F540 HydrophobicContact CG2-CE1 3.67Å; V511-F540 HydrophobicContact CG2-CZ 4.11Å; V511-F540 WeakPolarHBondContact O-CA 3.42Å; V511-F540 VanDerWaalsContact O-CD1 3.29Å; V511-F540 WeakPolarHBondContact O-CD1 3.25Å; V511-P541 WeakPolarHBondContact O-CD 3.32Å | ||
| 512 | T | 93.4 | Very high | 91.8 | Very high | 54 Ų | 54 | 61.3 Ų | 61.3 | 33% | 0.331 | 31% | 0.308 | S | S | . | . | trans | -96.1 | 150.7 | 172 | 84.2 | 0 | 0 | 0 | 0 | 110.9 | K514 T515 L516 D519 P541 | T512-K514 PolarHBondContact O-N 3.42Å; T512-T515 PolarHBondContact O-N 2.92Å; T512-T515 PolarHBondContact OG1-N 2.94Å; T512-T515 PolarHBondContact OG1-OG1 3.37Å; T512-L516 WeakPolarHBondContact O-CA 3.38Å; T512-L516 PolarHBondContact O-N 3.38Å; T512-D519 PolarHBondContact N-OD2 3.04Å; T512-P541 HydrophobicContact CG2-CG 4.5Å | ||
| 513 | R | 88.9 | Confident | 92.3 | Very high | 91 Ų | 91 | 61.1 Ų | 61.1 | 34% | 0.343 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -62.2 | -26 | 177.6 | -66.1 | -174.2 | 178.9 | -87 | -3.6 | 113.5 | F540 E543 E554 | R513-F540 HydrophobicContact CG-CD1 3.89Å; R513-F540 HydrophobicContact CG-CE1 4.09Å; R513-E543 VanDerWaalsContact CD-OE1 3.3Å; R513-E543 WeakPolarHBondContact CD-OE1 3.13Å; R513-E543 IonicContact CZ-OE1 3.39Å; R513-E543 IonicContact CZ-OE2 2.79Å; R513-E543 VanDerWaalsContact CZ-OE2 3.3Å; R513-E543 VanDerWaalsContact NE-CD 3.29Å; R513-E543 IonicContact NE-OE1 3.8Å; R513-E543 PolarHBondContact NE-OE1 2.81Å; R513-E543 IonicContact NE-OE2 2.71Å; R513-E543 PolarHBondContact NE-OE2 3.19Å; R513-E543 VanDerWaalsContact NE-OE2 3.1Å; R513-E543 IonicContact NH2-OE1 2.68Å; R513-E543 IonicContact NH2-OE2 3.24Å; R513-E543 PolarHBondContact NH2-OE2 3.32Å; R513-E554 IonicContact CZ-OE1 3.62Å; R513-E554 VanDerWaalsContact CZ-OE1 3.3Å; R513-E554 IonicContact NH1-OE1 3.88Å; R513-E554 PolarHBondContact NH1-OE1 2.97Å; R513-E554 IonicContact NH2-OE1 3.22Å; R513-E554 PolarHBondContact NH2-OE1 3.42Å; R513-E554 IonicContact NH2-OE2 2.66Å; R513-E554 PolarHBondContact NH2-OE2 3.38Å |
| 514 | K | 87.6 | Confident | 92.9 | Very high | 202 Ų | 202 | 57.7 Ų | 57.7 | 88% | 0.878 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -81 | -37.6 | -178.3 | -67.5 | -175.2 | 179.5 | -178.3 | 0 | 112.6 | T512 | T512-K514 PolarHBondContact O-N 3.42Š|
| 515 | T | 90 | Very high | 93.6 | Very high | 64 Ų | 64 | 55.8 Ų | 55.8 | 39% | 0.393 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -113.6 | 28.7 | -177.6 | 54.6 | 0 | 0 | 0 | 0 | 111.8 | T512 F517 E518 D519 | T512-T515 PolarHBondContact O-N 2.92Å; T512-T515 PolarHBondContact OG1-N 2.94Å; T512-T515 PolarHBondContact OG1-OG1 3.37Å; T515-F517 VanDerWaalsContact C-N 3.29Å; T515-F517 PolarHBondContact O-N 2.94Å; T515-F517 VanDerWaalsContact O-N 3.16Å; T515-E518 PolarHBondContact O-N 3.4Å; T515-E518 VanDerWaalsContact O-N 3.15Å; T515-D519 WeakPolarHBondContact CB-OD1 3.34Å; T515-D519 WeakPolarHBondContact O-CB 3.33Å; T515-D519 VanDerWaalsContact O-CG 3.31Å; T515-D519 PolarHBondContact O-N 3.46Å; T515-D519 PolarHBondContact OG1-OD1 3.34Å; T515-D519 PolarHBondContact OG1-OD2 3.05Å |
| 516 | L | 93.4 | Very high | 94 | Very high | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -49.4 | -47.4 | -171.1 | 176.5 | 66.2 | 0 | 0 | 0 | 113.1 | V511 T512 S520 F540 L558 E562 | V511-L516 HydrophobicContact CB-CD1 4.16Å; V511-L516 HydrophobicContact CG2-CD1 3.91Å; T512-L516 WeakPolarHBondContact O-CA 3.38Å; T512-L516 PolarHBondContact O-N 3.38Å; L516-S520 WeakPolarHBondContact O-CB 3.47Å; L516-S520 PolarHBondContact O-N 2.84Å; L516-S520 VanDerWaalsContact O-N 3.13Å; L516-S520 PolarHBondContact O-OG 3.44Å; L516-F540 HydrophobicContact CD1-CE1 4.09Å; L516-F540 HydrophobicContact CD1-CZ 4.41Å; L516-L558 HydrophobicContact CD2-CB 3.36Å; L516-L558 HydrophobicContact CD2-CD1 4.35Å; L516-L558 HydrophobicContact CD2-CG 4.48Å; L516-E562 HydrophobicContact CB-CG 4.5Å; L516-E562 HydrophobicContact CD2-CG 3.88Å; L516-E562 HydrophobicContact CG-CG 4.4Å |
| 517 | F | 93.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.009 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.9 | -51.6 | -178.8 | -176 | -96.8 | 0 | 0 | 0 | 112 | T515 S520 F521 L559 E562 V563 Y568 Y596 F599 | T515-F517 VanDerWaalsContact C-N 3.29Å; T515-F517 PolarHBondContact O-N 2.94Å; T515-F517 VanDerWaalsContact O-N 3.16Å; F517-S520 PolarHBondContact O-N 3.22Å; F517-F521 VanDerWaalsContact O-CB 3.27Å; F517-F521 WeakPolarHBondContact O-CB 3.35Å; F517-F521 PolarHBondContact O-N 2.97Å; F517-L559 HydrophobicContact CD2-CD1 3.99Å; F517-E562 HydrophobicContact CB-CB 4.04Å; F517-E562 HydrophobicContact CB-CG 4.44Å; F517-E562 HydrophobicContact CD2-CB 3.98Å; F517-E562 HydrophobicContact CG-CB 4.44Å; F517-V563 HydrophobicContact CD2-CG1 4.38Å; F517-V563 HydrophobicContact CE2-CB 4.32Å; F517-V563 HydrophobicContact CE2-CG1 3.97Å; F517-Y568 HydrophobicContact CB-CE2 4.36Å; F517-Y568 HydrophobicContact CD1-CD2 4.37Å; F517-Y568 AromaticContact CD1-CE1 3.95Å; F517-Y568 HydrophobicContact CD1-CE1 3.95Å; F517-Y568 AromaticContact CD1-CE2 3.54Å; F517-Y568 HydrophobicContact CD1-CE2 3.54Å; F517-Y568 AromaticContact CD1-CZ 3.3Å; F517-Y568 VanDerWaalsContact CD1-OH 3.23Å; F517-Y568 WeakPolarHBondContact CD1-OH 3.23Å; F517-Y568 AromaticContact CD2-CE2 3.91Å; F517-Y568 HydrophobicContact CD2-CE2 3.91Å; F517-Y568 HydrophobicContact CE1-CD1 4.25Å; F517-Y568 AromaticContact CE1-CD2 3.97Å; F517-Y568 HydrophobicContact CE1-CD2 3.97Å; F517-Y568 AromaticContact CE1-CE1 3.91Å; F517-Y568 HydrophobicContact CE1-CE1 3.91Å; F517-Y568 AromaticContact CE1-CE2 3.6Å; F517-Y568 HydrophobicContact CE1-CE2 3.6Å; F517-Y568 HydrophobicContact CE1-CG 4.3Å; F517-Y568 AromaticContact CE1-CZ 3.58Å; F517-Y568 HydrophobicContact CE2-CD2 4.25Å; F517-Y568 AromaticContact CE2-CE2 3.99Å; F517-Y568 HydrophobicContact CE2-CE2 3.99Å; F517-Y568 AromaticContact CG-CE2 3.68Å; F517-Y568 HydrophobicContact CG-CE2 3.68Å; F517-Y568 AromaticContact CG-CZ 3.77Å; F517-Y568 AromaticContact CZ-CD2 3.92Å; F517-Y568 HydrophobicContact CZ-CD2 3.92Å; F517-Y568 AromaticContact CZ-CE2 3.85Å; F517-Y568 HydrophobicContact CZ-CE2 3.85Å; F517-Y568 HydrophobicContact CZ-CG 4.45Å; F517-Y596 HydrophobicContact CD1-CE1 4.43Å; F517-Y596 AromaticContact CE1-CD1 3.65Å; F517-Y596 HydrophobicContact CE1-CD1 3.65Å; F517-Y596 AromaticContact CE1-CE1 3.36Å; F517-Y596 HydrophobicContact CE1-CE1 3.36Å; F517-Y596 AromaticContact CZ-CD1 3.62Å; F517-Y596 HydrophobicContact CZ-CD1 3.62Å; F517-Y596 AromaticContact CZ-CE1 3.86Å; F517-Y596 HydrophobicContact CZ-CE1 3.86Å; F517-Y596 HydrophobicContact CZ-CG 4.49Å; F517-F599 HydrophobicContact CD2-CE1 4.37Å; F517-F599 HydrophobicContact CE2-CD1 4.48Å; F517-F599 AromaticContact CE2-CE1 3.91Å; F517-F599 HydrophobicContact CE2-CE1 3.91Å; F517-F599 HydrophobicContact CZ-CE1 4.34Å |
| 518 | E | 92.3 | Very high | 94.3 | Very high | 66 Ų | 66 | 53.3 Ų | 53.3 | 31% | 0.308 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.9 | -45.1 | -176.9 | -172.2 | 58.3 | -148.3 | 0 | 0 | 111.9 | T515 S520 F521 Q522 | T515-E518 PolarHBondContact O-N 3.4Å; T515-E518 VanDerWaalsContact O-N 3.15Å; E518-S520 VanDerWaalsContact C-N 3.28Å; E518-S520 PolarHBondContact O-N 3.28Å; E518-F521 PolarHBondContact O-N 3.3Å; E518-Q522 WeakPolarHBondContact O-CG 3.34Å; E518-Q522 PolarHBondContact O-N 3.38Å; E518-Q522 WeakPolarHBondContact OE1-CG 3.46Å; E518-Q522 PolarHBondContact OE1-NE2 2.79Å |
| 519 | D | 95.8 | Very high | 94.3 | Very high | 33 Ų | 33 | 49.3 Ų | 49.3 | 18% | 0.176 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.2 | -39.8 | 177.2 | -65.2 | -3.5 | 0 | 0 | 0 | 111 | V511 T512 T515 Q523 | V511-D519 HydrophobicContact CB-CB 4.04Å; V511-D519 HydrophobicContact CG1-CB 3.75Å; T512-D519 PolarHBondContact N-OD2 3.04Å; T515-D519 WeakPolarHBondContact CB-OD1 3.34Å; T515-D519 WeakPolarHBondContact O-CB 3.33Å; T515-D519 VanDerWaalsContact O-CG 3.31Å; T515-D519 PolarHBondContact O-N 3.46Å; T515-D519 PolarHBondContact OG1-OD1 3.34Å; T515-D519 PolarHBondContact OG1-OD2 3.05Å; D519-Q523 WeakPolarHBondContact O-CB 3.28Å; D519-Q523 WeakPolarHBondContact O-CG 3.38Å; D519-Q523 PolarHBondContact O-N 3.46Å; D519-Q523 PolarHBondContact O-NE2 3.4Å |
| 520 | S | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.4 | -44.2 | 177.6 | -61.1 | 0 | 0 | 0 | 0 | 111.4 | L516 F517 E518 Q523 I524 W555 | L516-S520 WeakPolarHBondContact O-CB 3.47Å; L516-S520 PolarHBondContact O-N 2.84Å; L516-S520 VanDerWaalsContact O-N 3.13Å; L516-S520 PolarHBondContact O-OG 3.44Å; F517-S520 PolarHBondContact O-N 3.22Å; E518-S520 VanDerWaalsContact C-N 3.28Å; E518-S520 PolarHBondContact O-N 3.28Å; S520-Q523 PolarHBondContact O-N 2.87Å; S520-I524 VanDerWaalsContact O-CB 3.29Å; S520-I524 WeakPolarHBondContact O-CB 3.44Å; S520-I524 WeakPolarHBondContact O-CG1 3.28Å; S520-I524 PolarHBondContact O-N 3.11Å; S520-W555 PolarHBondContact OG-NE1 3.35Å |
| 521 | F | 96.8 | Very high | 94.1 | Very high | 28 Ų | 28 | 54 Ų | 54 | 12% | 0.123 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.3 | -54.3 | 177.8 | 171.3 | -106 | 0 | 0 | 0 | 110.9 | F517 E518 Q523 M525 K595 Y596 F599 | F517-F521 VanDerWaalsContact O-CB 3.27Å; F517-F521 WeakPolarHBondContact O-CB 3.35Å; F517-F521 PolarHBondContact O-N 2.97Å; E518-F521 PolarHBondContact O-N 3.3Å; F521-Q523 PolarHBondContact O-N 2.86Å; F521-M525 HydrophobicContact CD2-CG 3.88Å; F521-M525 HydrophobicContact CE2-CG 3.75Å; F521-M525 HydrophobicContact CZ-CG 4.34Å; F521-M525 VanDerWaalsContact O-CB 3.26Å; F521-M525 WeakPolarHBondContact O-CB 3.28Å; F521-M525 WeakPolarHBondContact O-CG 3.44Å; F521-M525 PolarHBondContact O-N 2.88Å; F521-K595 HydrophobicContact CE2-CB 4.35Å; F521-K595 HydrophobicContact CZ-CB 4.18Å; F521-Y596 HydrophobicContact CD1-CE1 4.11Å; F521-Y596 AromaticContact CD2-CD1 3.72Å; F521-Y596 HydrophobicContact CD2-CD1 3.72Å; F521-Y596 AromaticContact CD2-CE1 3.82Å; F521-Y596 HydrophobicContact CD2-CE1 3.82Å; F521-Y596 HydrophobicContact CE1-CE1 4.17Å; F521-Y596 AromaticContact CE2-CD1 3.71Å; F521-Y596 HydrophobicContact CE2-CD1 3.71Å; F521-Y596 AromaticContact CE2-CE1 3.89Å; F521-Y596 HydrophobicContact CE2-CE1 3.89Å; F521-Y596 HydrophobicContact CE2-CG 4.47Å; F521-Y596 HydrophobicContact CG-CD1 4.3Å; F521-Y596 AromaticContact CG-CE1 3.94Å; F521-Y596 HydrophobicContact CG-CE1 3.94Å; F521-Y596 HydrophobicContact CZ-CD1 4.26Å; F521-Y596 HydrophobicContact CZ-CE1 4.07Å; F521-F599 HydrophobicContact CB-CD2 4.49Å; F521-F599 HydrophobicContact CB-CE1 4.45Å; F521-F599 HydrophobicContact CB-CE2 4.39Å; F521-F599 HydrophobicContact CB-CZ 4.36Å; F521-F599 HydrophobicContact CD2-CB 3.65Å; F521-F599 AromaticContact CD2-CD1 3.96Å; F521-F599 HydrophobicContact CD2-CD1 3.96Å; F521-F599 HydrophobicContact CD2-CD2 4.11Å; F521-F599 AromaticContact CD2-CG 3.64Å; F521-F599 HydrophobicContact CD2-CG 3.64Å; F521-F599 HydrophobicContact CE2-CB 3.92Å; F521-F599 HydrophobicContact CE2-CG 4.4Å |
| 522 | Q | 95.6 | Very high | 94.1 | Very high | 112 Ų | 112 | 54 Ų | 54 | 52% | 0.523 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60 | -47 | -178.6 | -69.6 | -176.7 | 5.2 | 0 | 0 | 111.9 | E518 S526 | E518-Q522 WeakPolarHBondContact O-CG 3.34Å; E518-Q522 PolarHBondContact O-N 3.38Å; E518-Q522 WeakPolarHBondContact OE1-CG 3.46Å; E518-Q522 PolarHBondContact OE1-NE2 2.79Å; Q522-S526 VanDerWaalsContact O-CB 3.27Å; Q522-S526 WeakPolarHBondContact O-CB 3.41Å; Q522-S526 PolarHBondContact O-N 2.66Å; Q522-S526 PolarHBondContact O-OG 3.22Å |
| 523 | Q | 96.9 | Very high | 94.1 | Very high | 45 Ų | 45 | 53.6 Ų | 53.6 | 21% | 0.21 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67 | -49.3 | -178.6 | -78 | 172.1 | 89.1 | 0 | 0 | 112.2 | T510 D519 S520 F521 M525 S526 L527 | T510-Q523 PolarHBondContact O-NE2 2.91Å; D519-Q523 WeakPolarHBondContact O-CB 3.28Å; D519-Q523 WeakPolarHBondContact O-CG 3.38Å; D519-Q523 PolarHBondContact O-N 3.46Å; D519-Q523 PolarHBondContact O-NE2 3.4Å; S520-Q523 PolarHBondContact O-N 2.87Å; F521-Q523 PolarHBondContact O-N 2.86Å; Q523-M525 VanDerWaalsContact C-N 3.32Å; Q523-M525 PolarHBondContact O-N 2.74Å; Q523-S526 PolarHBondContact O-N 2.84Å; Q523-S526 PolarHBondContact O-OG 3.04Å; Q523-L527 VanDerWaalsContact O-CG 3.29Å; Q523-L527 WeakPolarHBondContact O-CG 3.23Å; Q523-L527 PolarHBondContact O-N 2.83Å; Q523-L527 VanDerWaalsContact O-N 3.11Å |
| 524 | I | 97.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.1 | -36 | -177 | -71.9 | 169.4 | 0 | 0 | 0 | 111.8 | S520 L532 W555 F599 R602 M606 | S520-I524 VanDerWaalsContact O-CB 3.29Å; S520-I524 WeakPolarHBondContact O-CB 3.44Å; S520-I524 WeakPolarHBondContact O-CG1 3.28Å; S520-I524 PolarHBondContact O-N 3.11Å; I524-L532 HydrophobicContact CG2-CD1 4.1Å; I524-L532 HydrophobicContact CG2-CD2 4.47Å; I524-W555 HydrophobicContact CD1-CH2 3.46Å; I524-W555 VanDerWaalsContact CD1-CH2 3.46Å; I524-W555 HydrophobicContact CD1-CZ2 3.53Å; I524-F599 HydrophobicContact CB-CD2 4.01Å; I524-F599 HydrophobicContact CB-CE2 3.86Å; I524-F599 HydrophobicContact CD1-CE2 3.73Å; I524-F599 HydrophobicContact CG1-CE2 4.32Å; I524-F599 HydrophobicContact CG2-CD2 3.88Å; I524-F599 HydrophobicContact CG2-CE2 4.07Å; I524-R602 HydrophobicContact CG2-CB 4.01Å; I524-R602 PolarHBondContact O-NH1 3.43Å; I524-M606 HydrophobicContact CD1-CE 4.31Å; I524-M606 HydrophobicContact CD1-SD 4.14Å; I524-M606 HydrophobicContact CG1-SD 4.38Å; I524-M606 HydrophobicContact CG2-SD 4.24Å |
| 525 | M | 96.9 | Very high | 94.4 | Very high | 49 Ų | 49 | 49.5 Ų | 49.5 | 24% | 0.241 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -74.4 | -27.5 | 177.2 | -65.6 | -57.7 | -74.1 | 0 | 0 | 112.6 | F521 Q523 R598 F599 | F521-M525 HydrophobicContact CD2-CG 3.88Å; F521-M525 HydrophobicContact CE2-CG 3.75Å; F521-M525 HydrophobicContact CZ-CG 4.34Å; F521-M525 VanDerWaalsContact O-CB 3.26Å; F521-M525 WeakPolarHBondContact O-CB 3.28Å; F521-M525 WeakPolarHBondContact O-CG 3.44Å; F521-M525 PolarHBondContact O-N 2.88Å; Q523-M525 VanDerWaalsContact C-N 3.32Å; Q523-M525 PolarHBondContact O-N 2.74Å; M525-R598 HydrophobicContact CE-CB 4.33Å; M525-R598 HydrophobicContact CE-CG 4.16Å; M525-F599 HydrophobicContact CG-CB 4.04Å; M525-F599 HydrophobicContact CG-CD2 4.32Å; M525-F599 HydrophobicContact SD-CB 3.68Å; M525-F599 HydrophobicContact SD-CD2 4.49Å |
| 526 | S | 96 | Very high | 94.4 | Very high | 97 Ų | 97 | 47 Ų | 47 | 68% | 0.678 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -76.7 | -24.9 | 175.1 | 74.8 | 0 | 0 | 0 | 0 | 114.1 | Q522 Q523 | Q522-S526 VanDerWaalsContact O-CB 3.27Å; Q522-S526 WeakPolarHBondContact O-CB 3.41Å; Q522-S526 PolarHBondContact O-N 2.66Å; Q522-S526 PolarHBondContact O-OG 3.22Å; Q523-S526 PolarHBondContact O-N 2.84Å; Q523-S526 PolarHBondContact O-OG 3.04Å |
| 527 | L | 95.3 | Very high | 94.3 | Very high | 44 Ų | 44 | 49.4 Ų | 49.4 | 23% | 0.23 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -78.7 | 148.5 | -179 | -71.1 | 169.8 | 0 | 0 | 0 | 111.6 | I507 Q523 L532 R602 | I507-L527 HydrophobicContact CD1-CD1 3.76Å; Q523-L527 VanDerWaalsContact O-CG 3.29Å; Q523-L527 WeakPolarHBondContact O-CG 3.23Å; Q523-L527 PolarHBondContact O-N 2.83Å; Q523-L527 VanDerWaalsContact O-N 3.11Å; L527-L532 HydrophobicContact CB-CD2 3.93Å; L527-L532 HydrophobicContact CB-CG 4.24Å; L527-L532 HydrophobicContact CD1-CD2 3.71Å; L527-L532 HydrophobicContact CG-CD2 4.49Å; L527-R602 PolarHBondContact O-NH1 3.32Å |
| 528 | S | 94.8 | Very high | 94.3 | Very high | 45 Ų | 45 | 49.5 Ų | 49.5 | 32% | 0.315 | 24% | 0.241 | S | C | . | . | trans | -69.6 | 147.4 | 172.2 | 82.3 | 0 | 0 | 0 | 0 | 110.4 | Q530 D531 L532 | S528-Q530 PolarHBondContact O-N 3.18Å; S528-Q530 VanDerWaalsContact O-N 3.15Å; S528-D531 PolarHBondContact O-N 2.83Å; S528-D531 PolarHBondContact OG-N 3.2Å; S528-D531 PolarHBondContact OG-OD2 3.14Å; S528-L532 PolarHBondContact O-N 2.99Å | ||
| 529 | P | 92.5 | Very high | 94.2 | Very high | 38 Ų | 38 | 49.1 Ų | 49.1 | 25% | 0.247 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -32.7 | 177.1 | -29.5 | 36.7 | 0 | 0 | 0 | 114.4 | L532 E722 | P529-L532 PolarHBondContact O-N 3.2Å; P529-E722 HydrophobicContact CB-CB 3.97Å; P529-E722 WeakPolarHBondContact CB-O 3.46Å; P529-E722 HydrophobicContact CG-CB 3.96Å; P529-E722 HydrophobicContact CG-CG 4.15Å |
| 530 | Q | 91.2 | Very high | 94 | Very high | 120 Ų | 120 | 47.9 Ų | 47.9 | 56% | 0.561 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -37.4 | 178.2 | -63.5 | -179.6 | 2.8 | 0 | 0 | 111.8 | M503 S528 L532 R533 | M503-Q530 WeakPolarHBondContact CG-O 3.35Å; S528-Q530 PolarHBondContact O-N 3.18Å; S528-Q530 VanDerWaalsContact O-N 3.15Å; Q530-L532 PolarHBondContact O-N 3.46Å; Q530-R533 WeakPolarHBondContact O-CB 3.29Å; Q530-R533 PolarHBondContact O-N 2.86Å; Q530-R533 VanDerWaalsContact O-N 3.11Å |
| 531 | D | 94.2 | Very high | 93.7 | Very high | 40 Ų | 40 | 51.3 Ų | 51.3 | 21% | 0.214 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -67.1 | -29.5 | 177.8 | -67.6 | -42.7 | 0 | 0 | 0 | 112 | I507 S528 R533 R534 | I507-D531 HydrophobicContact CG2-CB 4.06Å; S528-D531 PolarHBondContact O-N 2.83Å; S528-D531 PolarHBondContact OG-N 3.2Å; S528-D531 PolarHBondContact OG-OD2 3.14Å; D531-R533 PolarHBondContact O-N 2.87Å; D531-R534 VanDerWaalsContact O-CB 3.26Å; D531-R534 WeakPolarHBondContact O-CB 3.43Å; D531-R534 WeakPolarHBondContact O-CG 3.12Å; D531-R534 PolarHBondContact O-N 3.1Å; D531-R534 IonicContact OD1-CZ 3.89Å; D531-R534 VanDerWaalsContact OD1-CZ 3.26Å; D531-R534 IonicContact OD1-NE 3.86Å; D531-R534 PolarHBondContact OD1-NE 3.06Å; D531-R534 IonicContact OD1-NH2 2.74Å; D531-R534 PolarHBondContact OD1-NH2 2.79Å |
| 532 | L | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -68.9 | -12.2 | 174.8 | -60.8 | 175.2 | 0 | 0 | 0 | 113.3 | I507 I524 L527 S528 P529 Q530 M606 H610 I723 | I507-L532 HydrophobicContact CD1-CD2 3.9Å; I524-L532 HydrophobicContact CG2-CD1 4.1Å; I524-L532 HydrophobicContact CG2-CD2 4.47Å; L527-L532 HydrophobicContact CB-CD2 3.93Å; L527-L532 HydrophobicContact CB-CG 4.24Å; L527-L532 HydrophobicContact CD1-CD2 3.71Å; L527-L532 HydrophobicContact CG-CD2 4.49Å; S528-L532 PolarHBondContact O-N 2.99Å; P529-L532 PolarHBondContact O-N 3.2Å; Q530-L532 PolarHBondContact O-N 3.46Å; L532-M606 HydrophobicContact CB-CG 4.32Å; L532-M606 HydrophobicContact CB-SD 4.3Å; L532-M606 HydrophobicContact CD1-SD 4.22Å; L532-M606 HydrophobicContact CD2-CE 4.09Å; L532-M606 HydrophobicContact CD2-SD 3.88Å; L532-M606 HydrophobicContact CG-SD 4.36Å; L532-H610 PolarHBondContact O-NE2 3.06Å; L532-I723 HydrophobicContact CB-CD1 3.85Å; L532-I723 HydrophobicContact CB-CG1 4.31Å; L532-I723 HydrophobicContact CD1-CD1 3.47Å; L532-I723 VanDerWaalsContact CD1-CD1 3.47Å; L532-I723 HydrophobicContact CD1-CG1 4.18Å; L532-I723 HydrophobicContact CG-CD1 4.3Å |
| 533 | R | 94.4 | Very high | 92.7 | Very high | 45 Ų | 45 | 53 Ų | 53 | 17% | 0.17 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -89.1 | -2.3 | 170.6 | -60.2 | -177.8 | -168.5 | 152 | 7.5 | 113.4 | M503 Q530 D531 F609 E722 I723 | M503-R533 HydrophobicContact CG-CB 4.2Å; M503-R533 PolarHBondContact N-O 3.17Å; Q530-R533 WeakPolarHBondContact O-CB 3.29Å; Q530-R533 PolarHBondContact O-N 2.86Å; Q530-R533 VanDerWaalsContact O-N 3.11Å; D531-R533 PolarHBondContact O-N 2.87Å; R533-F609 HydrophobicContact CB-CE1 3.78Å; R533-F609 HydrophobicContact CB-CE2 4.31Å; R533-F609 HydrophobicContact CB-CZ 3.64Å; R533-F609 HydrophobicContact CG-CD2 4.45Å; R533-F609 HydrophobicContact CG-CE1 4.17Å; R533-F609 HydrophobicContact CG-CE2 3.95Å; R533-F609 HydrophobicContact CG-CZ 3.8Å; R533-F609 WeakPolarHBondContact O-CE1 3.4Å; R533-E722 PolarHBondContact NH2-O 3.45Å; R533-I723 HydrophobicContact CG-CG2 4.22Å; R533-I723 PolarHBondContact NE-O 3.38Å; R533-I723 PolarHBondContact NH2-O 2.91Å |
| 534 | R | 91.8 | Very high | 91.5 | Very high | 48 Ų | 48 | 60.1 Ų | 60.1 | 18% | 0.181 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 163.9 | 171.9 | -59.8 | 176.6 | -172 | -125.9 | 21.3 | 110.6 | M503 P504 I507 D531 L536 H610 | M503-R534 HydrophobicContact CB-CG 3.5Å; P504-R534 PolarHBondContact O-NH1 2.81Å; I507-R534 HydrophobicContact CG2-CB 4.28Å; D531-R534 VanDerWaalsContact O-CB 3.26Å; D531-R534 WeakPolarHBondContact O-CB 3.43Å; D531-R534 WeakPolarHBondContact O-CG 3.12Å; D531-R534 PolarHBondContact O-N 3.1Å; D531-R534 IonicContact OD1-CZ 3.89Å; D531-R534 VanDerWaalsContact OD1-CZ 3.26Å; D531-R534 IonicContact OD1-NE 3.86Å; D531-R534 PolarHBondContact OD1-NE 3.06Å; D531-R534 IonicContact OD1-NH2 2.74Å; D531-R534 PolarHBondContact OD1-NH2 2.79Å; R534-L536 PolarHBondContact O-N 2.83Å; R534-H610 PolarHBondContact O-CE1 3.48Å |
| 535 | R | 89.3 | Confident | 89.8 | Confident | 159 Ų | 159 | 62 Ų | 62 | 60% | 0.6 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 132 | 177 | -172.5 | 174 | 178.6 | 176 | 1.4 | 111.2 | Q505 H506 I507 | Q505-R535 PolarHBondContact O-N 2.9Å; H506-R535 CarbonylContact C-O 3.41Å; H506-R535 WeakPolarHBondContact CA-O 3.24Å; H506-R535 HydrophobicContact CB-CB 4.16Å; H506-R535 VanDerWaalsContact CB-O 3.29Å; H506-R535 WeakPolarHBondContact CB-O 3.23Å; I507-R535 PolarHBondContact N-O 3.42Å |
| 536 | L | 91.1 | Very high | 88 | Confident | 12 Ų | 12 | 68.2 Ų | 68.2 | 6% | 0.063 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 125 | -177.7 | -53.7 | -179.1 | 0 | 0 | 0 | 111.7 | I507 I509 R534 F556 M606 H610 | I507-L536 HydrophobicContact CD1-CD2 3.53Å; I507-L536 HydrophobicContact CG1-CD2 3.67Å; I509-L536 HydrophobicContact CD1-CD2 4.32Å; R534-L536 PolarHBondContact O-N 2.83Å; L536-F556 HydrophobicContact CD1-CE2 3.82Å; L536-F556 HydrophobicContact CD1-CZ 3.96Å; L536-M606 HydrophobicContact CD1-CE 3.74Å; L536-M606 HydrophobicContact CD2-CE 3.84Å; L536-M606 HydrophobicContact CG-CE 4.47Å; L536-H610 HydrophobicContact CD1-CB 4.46Å; L536-H610 VanDerWaalsContact CD1-CD2 3.48Å; L536-H610 WeakPolarHBondContact CD1-CD2 3.36Å |
| 537 | W | 91.7 | Very high | 86.5 | Confident | 55 Ų | 55 | 68 Ų | 68 | 21% | 0.208 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 99 | 169.2 | -75.2 | 17.5 | 0 | 0 | 0 | 109.2 | H506 I507 K508 I509 Y548 | H506-W537 HydrophobicContact CB-CD2 4.31Å; H506-W537 HydrophobicContact CB-CG 4.2Å; H506-W537 AromaticContact CD2-CD2 3.96Å; H506-W537 AromaticContact CD2-CE2 3.55Å; H506-W537 AromaticContact CD2-CH2 3.72Å; H506-W537 AromaticContact CD2-CZ2 3.43Å; H506-W537 VanDerWaalsContact CD2-CZ2 3.43Å; H506-W537 WeakPolarHBondContact CD2-CZ2 3.28Å; H506-W537 AromaticContact CG-CD2 3.88Å; H506-W537 AromaticContact CG-CE2 3.79Å; H506-W537 AromaticContact NE2-CH2 3.59Å; H506-W537 AromaticContact NE2-CZ2 3.84Å; H506-W537 AromaticContact NE2-CZ3 3.73Å; I507-W537 WeakPolarHBondContact O-CB 3.49Å; I507-W537 PolarHBondContact O-N 3.34Å; K508-W537 CarbonylContact C-O 3.6Å; K508-W537 WeakPolarHBondContact CA-O 3.29Å; K508-W537 HydrophobicContact CG-CB 4.31Å; I509-W537 PolarHBondContact N-O 2.79Å; W537-Y548 HydrophobicContact CB-CD1 4.36Å; W537-Y548 HydrophobicContact CD2-CD1 4.18Å; W537-Y548 HydrophobicContact CD2-CE1 4.18Å; W537-Y548 HydrophobicContact CE3-CD1 4.47Å; W537-Y548 HydrophobicContact CE3-CE1 4.01Å; W537-Y548 HydrophobicContact CG-CD1 4.13Å; W537-Y548 HydrophobicContact CZ3-CE1 4.48Å |
| 538 | V | 92.1 | Very high | 85 | Confident | 3 Ų | 3 | 71 Ų | 71 | 2% | 0.018 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 134.6 | 176.7 | -173.8 | 0 | 0 | 0 | 0 | 109.7 | I509 V511 F540 V551 A552 W555 | I509-V538 HydrophobicContact CB-CG2 4.45Å; I509-V538 CarbonylContact O-C 3.56Å; I509-V538 WeakPolarHBondContact O-CA 3.42Å; V511-V538 HydrophobicContact CG2-CG1 3.99Å; V538-F540 HydrophobicContact CG1-CE2 4.31Å; V538-V551 HydrophobicContact CB-CG1 4.14Å; V538-V551 HydrophobicContact CG1-CG1 4.26Å; V538-V551 WeakPolarHBondContact O-CG1 3.46Å; V538-A552 HydrophobicContact CG2-CB 4.14Å; V538-W555 HydrophobicContact CB-CB 4.31Å; V538-W555 HydrophobicContact CB-CG 4.47Å; V538-W555 HydrophobicContact CG1-CB 3.77Å; V538-W555 HydrophobicContact CG1-CD2 4.48Å; V538-W555 HydrophobicContact CG1-CG 3.74Å; V538-W555 HydrophobicContact CG2-CB 4.13Å; V538-W555 HydrophobicContact CG2-CD2 4.08Å; V538-W555 HydrophobicContact CG2-CE3 4.18Å; V538-W555 HydrophobicContact CG2-CG 4.05Å |
| 539 | I | 91.6 | Very high | 83.9 | Confident | 58 Ų | 58 | 69.4 Ų | 69.4 | 30% | 0.297 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 121.4 | -176.2 | -56.3 | 173.3 | 0 | 0 | 0 | 108.5 | K508 I509 T510 V511 P541 | K508-I539 HydrophobicContact CB-CD1 4.35Å; K508-I539 HydrophobicContact CD-CD1 4.13Å; K508-I539 HydrophobicContact CG-CD1 4.31Å; I509-I539 PolarHBondContact O-N 3.05Å; T510-I539 WeakPolarHBondContact CA-O 3.28Å; V511-I539 PolarHBondContact N-O 3.33Å; I539-P541 WeakPolarHBondContact O-CD 3.34Å |
| 540 | F | 92 | Very high | 83.1 | Confident | 8 Ų | 8 | 69 Ų | 69 | 4% | 0.035 | 37% | 0.369 | C | S | . | . | trans | -95.1 | 109.4 | 165.6 | -69.3 | -78.6 | 0 | 0 | 0 | 108.8 | V511 R513 L516 V538 G542 E543 V551 W555 L558 | V511-F540 HydrophobicContact CG2-CD1 4.01Å; V511-F540 HydrophobicContact CG2-CE1 3.67Å; V511-F540 HydrophobicContact CG2-CZ 4.11Å; V511-F540 WeakPolarHBondContact O-CA 3.42Å; V511-F540 VanDerWaalsContact O-CD1 3.29Å; V511-F540 WeakPolarHBondContact O-CD1 3.25Å; R513-F540 HydrophobicContact CG-CD1 3.89Å; R513-F540 HydrophobicContact CG-CE1 4.09Å; L516-F540 HydrophobicContact CD1-CE1 4.09Å; L516-F540 HydrophobicContact CD1-CZ 4.41Å; V538-F540 HydrophobicContact CG1-CE2 4.31Å; F540-G542 PolarHBondContact O-N 3.05Å; F540-E543 HydrophobicContact CB-CB 4.1Å; F540-E543 HydrophobicContact CB-CG 4.25Å; F540-E543 PolarHBondContact O-N 2.96Å; F540-E543 VanDerWaalsContact O-N 3.08Å; F540-V551 HydrophobicContact CD2-CG1 3.56Å; F540-V551 HydrophobicContact CE2-CG1 3.67Å; F540-W555 HydrophobicContact CZ-CB 4.35Å; F540-L558 HydrophobicContact CZ-CD1 4.41Å | ||
| 541 | P | 91.1 | Very high | 82.8 | Confident | 72 Ų | 72 | 64.2 Ų | 64.2 | 47% | 0.468 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 130.3 | -177.8 | -26.5 | 35.4 | 0 | 0 | 0 | 112.2 | T510 V511 T512 I539 E543 | T510-P541 HydrophobicContact CG2-CG 3.59Å; V511-P541 WeakPolarHBondContact O-CD 3.32Å; T512-P541 HydrophobicContact CG2-CG 4.5Å; I539-P541 WeakPolarHBondContact O-CD 3.34Å; P541-E543 VanDerWaalsContact C-N 3.35Å |
| 542 | G | 84.9 | Confident | 82.5 | Confident | 90 Ų | 90 | 62.5 Ų | 62.5 | 93% | 0.928 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.5 | -1.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | F540 | F540-G542 PolarHBondContact O-N 3.05Š|
| 543 | E | 85.2 | Confident | 82.1 | Confident | 86 Ų | 86 | 66.8 Ų | 66.8 | 40% | 0.402 | 36% | 0.355 | S | S | . | . | trans | -114.4 | 127.4 | 177.5 | -60.4 | 176.4 | -153.3 | 0 | 0 | 110.3 | R513 F540 P541 G545 | R513-E543 VanDerWaalsContact CD-OE1 3.3Å; R513-E543 WeakPolarHBondContact CD-OE1 3.13Å; R513-E543 IonicContact CZ-OE1 3.39Å; R513-E543 IonicContact CZ-OE2 2.79Å; R513-E543 VanDerWaalsContact CZ-OE2 3.3Å; R513-E543 VanDerWaalsContact NE-CD 3.29Å; R513-E543 IonicContact NE-OE1 3.8Å; R513-E543 PolarHBondContact NE-OE1 2.81Å; R513-E543 IonicContact NE-OE2 2.71Å; R513-E543 PolarHBondContact NE-OE2 3.19Å; R513-E543 VanDerWaalsContact NE-OE2 3.1Å; R513-E543 IonicContact NH2-OE1 2.68Å; R513-E543 IonicContact NH2-OE2 3.24Å; R513-E543 PolarHBondContact NH2-OE2 3.32Å; F540-E543 HydrophobicContact CB-CB 4.1Å; F540-E543 HydrophobicContact CB-CG 4.25Å; F540-E543 PolarHBondContact O-N 2.96Å; F540-E543 VanDerWaalsContact O-N 3.08Å; P541-E543 VanDerWaalsContact C-N 3.35Å; E543-G545 PolarHBondContact O-N 3.3Å | ||
| 544 | E | 72.1 | Confident | 81.8 | Confident | 193 Ų | 193 | 66.8 Ų | 66.8 | 90% | 0.902 | 36% | 0.357 | S | S | * | . | trans | -80.8 | 103.6 | 175.1 | -71 | -169 | 172.8 | 0 | 0 | 110.1 | L546 | E544-L546 PolarHBondContact O-N 2.88Š| ||
| 545 | G | 62.9 | Low | 81.8 | Confident | 41 Ų | 41 | 64.5 Ų | 64.5 | 42% | 0.423 | 35% | 0.349 | S | S | . | . | trans | -77.5 | 108.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | E543 D547 | E543-G545 PolarHBondContact O-N 3.3Å; G545-D547 VanDerWaalsContact C-N 3.32Å | ||
| 546 | L | 57.6 | Low | 82.1 | Confident | 178 Ų | 178 | 57 Ų | 57 | 93% | 0.932 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -69.1 | -30.9 | 175.3 | -73 | 161.1 | 0 | 0 | 0 | 112.6 | E544 | E544-L546 PolarHBondContact O-N 2.88Š|
| 547 | D | 64.8 | Low | 82 | Confident | 94 Ų | 94 | 56.5 Ų | 56.5 | 50% | 0.503 | 32% | 0.318 | S | S | . | . | trans | -136 | 115.1 | 178.5 | 176.5 | 16.5 | 0 | 0 | 0 | 110.8 | G545 G549 G550 V551 | G545-D547 VanDerWaalsContact C-N 3.32Å; D547-G549 PolarHBondContact O-N 3.16Å; D547-G549 VanDerWaalsContact O-N 3.16Å; D547-G549 PolarHBondContact OD1-N 3.05Å; D547-G550 PolarHBondContact O-N 3.28Å; D547-V551 PolarHBondContact O-N 2.85Å | ||
| 548 | Y | 65 | Low | 82 | Confident | 105 Ų | 105 | 55.3 Ų | 55.3 | 41% | 0.412 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.2 | -25.6 | 176.5 | -63.6 | -80.5 | 0 | 0 | 0 | 113 | W537 A552 | W537-Y548 HydrophobicContact CB-CD1 4.36Å; W537-Y548 HydrophobicContact CD2-CD1 4.18Å; W537-Y548 HydrophobicContact CD2-CE1 4.18Å; W537-Y548 HydrophobicContact CE3-CD1 4.47Å; W537-Y548 HydrophobicContact CE3-CE1 4.01Å; W537-Y548 HydrophobicContact CG-CD1 4.13Å; W537-Y548 HydrophobicContact CZ3-CE1 4.48Å; Y548-A552 WeakPolarHBondContact O-CB 3.28Å; Y548-A552 PolarHBondContact O-N 2.82Å |
| 549 | G | 70.4 | Confident | 82.1 | Confident | 12 Ų | 12 | 55.2 Ų | 55.2 | 12% | 0.124 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69 | -41.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | D547 R553 K612 | D547-G549 PolarHBondContact O-N 3.16Å; D547-G549 VanDerWaalsContact O-N 3.16Å; D547-G549 PolarHBondContact OD1-N 3.05Å; G549-R553 PolarHBondContact O-N 2.81Å; G549-K612 PolarHBondContact O-NZ 3.24Å |
| 550 | G | 76.4 | Confident | 82 | Confident | 30 Ų | 30 | 52.4 Ų | 52.4 | 31% | 0.309 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -68.4 | -44.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D547 A552 R553 E554 | D547-G550 PolarHBondContact O-N 3.28Å; G550-A552 VanDerWaalsContact C-N 3.34Å; G550-A552 PolarHBondContact O-N 3.34Å; G550-R553 WeakPolarHBondContact O-CB 3.49Å; G550-R553 PolarHBondContact O-N 3.32Å; G550-R553 VanDerWaalsContact O-N 3.11Å; G550-E554 PolarHBondContact O-N 3.11Å |
| 551 | V | 85.4 | Confident | 81.8 | Confident | 20 Ų | 20 | 53.1 Ų | 53.1 | 12% | 0.121 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 178.2 | -176.6 | 0 | 0 | 0 | 0 | 111.5 | V538 F540 D547 R553 E554 W555 | V538-V551 HydrophobicContact CB-CG1 4.14Å; V538-V551 HydrophobicContact CG1-CG1 4.26Å; V538-V551 WeakPolarHBondContact O-CG1 3.46Å; F540-V551 HydrophobicContact CD2-CG1 3.56Å; F540-V551 HydrophobicContact CE2-CG1 3.67Å; D547-V551 PolarHBondContact O-N 2.85Å; V551-R553 PolarHBondContact O-N 2.87Å; V551-E554 PolarHBondContact O-N 3.36Å; V551-W555 WeakPolarHBondContact O-CB 3.46Å; V551-W555 PolarHBondContact O-N 3.39Å |
| 552 | A | 87.7 | Confident | 81.7 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 3% | 0.025 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V538 Y548 G550 W555 F556 | V538-A552 HydrophobicContact CG2-CB 4.14Å; Y548-A552 WeakPolarHBondContact O-CB 3.28Å; Y548-A552 PolarHBondContact O-N 2.82Å; G550-A552 VanDerWaalsContact C-N 3.34Å; G550-A552 PolarHBondContact O-N 3.34Å; A552-W555 PolarHBondContact O-N 2.96Å; A552-F556 VanDerWaalsContact O-CD2 3.27Å; A552-F556 WeakPolarHBondContact O-CD2 3.39Å; A552-F556 PolarHBondContact O-N 3.08Å |
| 553 | R | 85.9 | Confident | 81.9 | Confident | 90 Ų | 90 | 46.2 Ų | 46.2 | 34% | 0.34 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.4 | -44.8 | 176.9 | -177.7 | -175.3 | -65.6 | 147.4 | 0.4 | 111.2 | F373 N374 G549 G550 V551 W555 F556 F557 | F373-R553 HydrophobicContact CE1-CG 3.93Å; N374-R553 VanDerWaalsContact OD1-CD 3.27Å; N374-R553 WeakPolarHBondContact OD1-CD 3.37Å; G549-R553 PolarHBondContact O-N 2.81Å; G550-R553 WeakPolarHBondContact O-CB 3.49Å; G550-R553 PolarHBondContact O-N 3.32Å; G550-R553 VanDerWaalsContact O-N 3.11Å; V551-R553 PolarHBondContact O-N 2.87Å; R553-W555 VanDerWaalsContact C-N 3.32Å; R553-W555 PolarHBondContact O-N 3.32Å; R553-F556 PolarHBondContact O-N 3.46Å; R553-F557 PolarHBondContact O-N 3.01Å; R553-F557 VanDerWaalsContact O-N 3.07Å |
| 554 | E | 88.1 | Confident | 81.9 | Confident | 46 Ų | 46 | 43.1 Ų | 43.1 | 22% | 0.215 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.6 | -42.5 | 175 | -174.8 | -178.4 | -172.9 | 0 | 0 | 111.8 | M370 R513 G550 V551 F556 F557 L558 | M370-E554 HydrophobicContact CE-CB 3.7Å; M370-E554 HydrophobicContact CE-CG 4.01Å; R513-E554 IonicContact CZ-OE1 3.62Å; R513-E554 VanDerWaalsContact CZ-OE1 3.3Å; R513-E554 IonicContact NH1-OE1 3.88Å; R513-E554 PolarHBondContact NH1-OE1 2.97Å; R513-E554 IonicContact NH2-OE1 3.22Å; R513-E554 PolarHBondContact NH2-OE1 3.42Å; R513-E554 IonicContact NH2-OE2 2.66Å; R513-E554 PolarHBondContact NH2-OE2 3.38Å; G550-E554 PolarHBondContact O-N 3.11Å; V551-E554 PolarHBondContact O-N 3.36Å; E554-F556 PolarHBondContact O-N 2.85Å; E554-F557 WeakPolarHBondContact O-CB 3.25Å; E554-F557 PolarHBondContact O-N 3.48Å; E554-L558 HydrophobicContact CG-CD1 3.83Å; E554-L558 HydrophobicContact CG-CG 4.15Å; E554-L558 WeakPolarHBondContact O-CG 3.45Å; E554-L558 PolarHBondContact O-N 3.1Å |
| 555 | W | 93.4 | Very high | 82.6 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.1 | -45.3 | 177.6 | 175.7 | 78.6 | 0 | 0 | 0 | 112.9 | S520 I524 V538 F540 V551 A552 R553 F557 L558 L559 F603 M606 | S520-W555 PolarHBondContact OG-NE1 3.35Å; I524-W555 HydrophobicContact CD1-CH2 3.46Å; I524-W555 VanDerWaalsContact CD1-CH2 3.46Å; I524-W555 HydrophobicContact CD1-CZ2 3.53Å; V538-W555 HydrophobicContact CB-CB 4.31Å; V538-W555 HydrophobicContact CB-CG 4.47Å; V538-W555 HydrophobicContact CG1-CB 3.77Å; V538-W555 HydrophobicContact CG1-CD2 4.48Å; V538-W555 HydrophobicContact CG1-CG 3.74Å; V538-W555 HydrophobicContact CG2-CB 4.13Å; V538-W555 HydrophobicContact CG2-CD2 4.08Å; V538-W555 HydrophobicContact CG2-CE3 4.18Å; V538-W555 HydrophobicContact CG2-CG 4.05Å; F540-W555 HydrophobicContact CZ-CB 4.35Å; V551-W555 WeakPolarHBondContact O-CB 3.46Å; V551-W555 PolarHBondContact O-N 3.39Å; A552-W555 PolarHBondContact O-N 2.96Å; R553-W555 VanDerWaalsContact C-N 3.32Å; R553-W555 PolarHBondContact O-N 3.32Å; W555-F557 VanDerWaalsContact C-N 3.33Å; W555-F557 PolarHBondContact O-N 3.48Å; W555-L558 PolarHBondContact O-N 2.56Å; W555-L559 HydrophobicContact CH2-CD2 3.77Å; W555-L559 HydrophobicContact CZ2-CD2 3.28Å; W555-L559 WeakPolarHBondContact O-CB 3.33Å; W555-L559 PolarHBondContact O-N 2.73Å; W555-F603 HydrophobicContact CH2-CD2 4.03Å; W555-F603 HydrophobicContact CH2-CE2 4.27Å; W555-F603 HydrophobicContact CZ3-CD2 4.34Å; W555-F603 HydrophobicContact CZ3-CE2 4.25Å; W555-M606 HydrophobicContact CH2-CE 4.25Å; W555-M606 HydrophobicContact CZ3-CE 4.44Å |
| 556 | F | 93.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.6 | -42.4 | 174 | -85.4 | -79.1 | 0 | 0 | 0 | 112 | L536 A552 R553 E554 S560 F603 M606 A607 K612 I614 | L536-F556 HydrophobicContact CD1-CE2 3.82Å; L536-F556 HydrophobicContact CD1-CZ 3.96Å; A552-F556 VanDerWaalsContact O-CD2 3.27Å; A552-F556 WeakPolarHBondContact O-CD2 3.39Å; A552-F556 PolarHBondContact O-N 3.08Å; R553-F556 PolarHBondContact O-N 3.46Å; E554-F556 PolarHBondContact O-N 2.85Å; F556-S560 WeakPolarHBondContact O-CB 3.39Å; F556-S560 PolarHBondContact O-N 3.11Å; F556-S560 PolarHBondContact O-OG 2.86Å; F556-F603 HydrophobicContact CD1-CD2 4.05Å; F556-F603 AromaticContact CD1-CE2 3.3Å; F556-F603 HydrophobicContact CD1-CE2 3.3Å; F556-F603 AromaticContact CD1-CZ 3.85Å; F556-F603 HydrophobicContact CD1-CZ 3.85Å; F556-F603 AromaticContact CE1-CD2 3.96Å; F556-F603 HydrophobicContact CE1-CD2 3.96Å; F556-F603 AromaticContact CE1-CE2 3.7Å; F556-F603 HydrophobicContact CE1-CE2 3.7Å; F556-F603 HydrophobicContact CG-CE2 4.23Å; F556-M606 HydrophobicContact CE1-CB 4.18Å; F556-M606 HydrophobicContact CZ-CB 3.98Å; F556-A607 HydrophobicContact CD1-CB 3.75Å; F556-A607 HydrophobicContact CE1-CB 3.56Å; F556-A607 HydrophobicContact CZ-CB 4.45Å; F556-K612 HydrophobicContact CB-CB 4.32Å; F556-K612 HydrophobicContact CD1-CB 4.24Å; F556-K612 HydrophobicContact CD2-CB 3.39Å; F556-K612 HydrophobicContact CD2-CD 4.4Å; F556-K612 HydrophobicContact CD2-CG 3.53Å; F556-K612 HydrophobicContact CE1-CB 4.45Å; F556-K612 HydrophobicContact CE2-CB 3.65Å; F556-K612 HydrophobicContact CE2-CG 3.49Å; F556-K612 VanDerWaalsContact CE2-CG 3.49Å; F556-K612 HydrophobicContact CG-CB 3.73Å; F556-K612 HydrophobicContact CG-CG 4.37Å; F556-K612 HydrophobicContact CZ-CB 4.17Å; F556-K612 HydrophobicContact CZ-CG 4.28Å; F556-I614 HydrophobicContact CB-CG2 4.42Å; F556-I614 HydrophobicContact CD1-CG2 4.13Å |
| 557 | F | 90.3 | Very high | 84.9 | Confident | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.009 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.6 | -52.8 | 176.7 | 173.1 | -101.5 | 0 | 0 | 0 | 112.4 | L366 A369 M370 F373 R553 E554 W555 S560 H561 D615 | L366-F557 HydrophobicContact CB-CE1 4.13Å; L366-F557 HydrophobicContact CB-CZ 4.3Å; L366-F557 HydrophobicContact CD2-CE1 4.3Å; L366-F557 HydrophobicContact CD2-CZ 3.83Å; A369-F557 HydrophobicContact CB-CZ 4.04Å; M370-F557 HydrophobicContact CB-CE1 4Å; M370-F557 HydrophobicContact CB-CZ 4.27Å; M370-F557 HydrophobicContact CG-CD1 4.48Å; M370-F557 HydrophobicContact CG-CE1 4.46Å; M370-F557 HydrophobicContact SD-CB 3.99Å; M370-F557 HydrophobicContact SD-CD1 3.42Å; M370-F557 WeakPolarHBondContact SD-CD1 3.38Å; M370-F557 HydrophobicContact SD-CD2 4.18Å; M370-F557 HydrophobicContact SD-CE1 3.87Å; M370-F557 HydrophobicContact SD-CG 3.59Å; M370-F557 VanDerWaalsContact SD-CG 3.59Å; M370-F557 HydrophobicContact SD-CZ 4.42Å; F373-F557 HydrophobicContact CB-CD2 4Å; F373-F557 HydrophobicContact CB-CE2 3.87Å; F373-F557 HydrophobicContact CD1-CB 4.06Å; F373-F557 AromaticContact CD1-CD2 3.62Å; F373-F557 HydrophobicContact CD1-CD2 3.62Å; F373-F557 HydrophobicContact CD1-CE2 4.35Å; F373-F557 HydrophobicContact CD1-CG 4.04Å; F373-F557 AromaticContact CD2-CD2 3.55Å; F373-F557 HydrophobicContact CD2-CD2 3.55Å; F373-F557 AromaticContact CD2-CE2 3.97Å; F373-F557 HydrophobicContact CD2-CE2 3.97Å; F373-F557 HydrophobicContact CE1-CB 3.68Å; F373-F557 AromaticContact CE1-CD2 3.89Å; F373-F557 HydrophobicContact CE1-CD2 3.89Å; F373-F557 HydrophobicContact CE1-CG 4.13Å; F373-F557 AromaticContact CE2-CD2 3.81Å; F373-F557 HydrophobicContact CE2-CD2 3.81Å; F373-F557 AromaticContact CG-CD2 3.43Å; F373-F557 HydrophobicContact CG-CD2 3.43Å; F373-F557 VanDerWaalsContact CG-CD2 3.43Å; F373-F557 AromaticContact CG-CE2 3.8Å; F373-F557 HydrophobicContact CG-CE2 3.8Å; F373-F557 HydrophobicContact CG-CG 4.29Å; F373-F557 HydrophobicContact CZ-CB 3.97Å; F373-F557 AromaticContact CZ-CD2 3.97Å; F373-F557 HydrophobicContact CZ-CD2 3.97Å; F373-F557 HydrophobicContact CZ-CG 4.45Å; R553-F557 PolarHBondContact O-N 3.01Å; R553-F557 VanDerWaalsContact O-N 3.07Å; E554-F557 WeakPolarHBondContact O-CB 3.25Å; E554-F557 PolarHBondContact O-N 3.48Å; W555-F557 VanDerWaalsContact C-N 3.33Å; W555-F557 PolarHBondContact O-N 3.48Å; F557-S560 PolarHBondContact O-N 3.42Å; F557-S560 PolarHBondContact O-OG 2.94Å; F557-H561 AromaticContact CE2-CE1 3.57Å; F557-H561 AromaticContact CZ-CE1 3.77Å; F557-H561 PolarHBondContact O-N 3.01Å; F557-H561 PolarHBondContact O-ND1 2.92Å; F557-D615 HydrophobicContact CD2-CB 3.77Å; F557-D615 HydrophobicContact CE2-CB 3.82Å; F557-D615 WeakPolarHBondContact CE2-OD2 3.28Å |
| 558 | L | 91 | Very high | 85.9 | Confident | 31 Ų | 31 | 24.1 Ų | 24.1 | 16% | 0.162 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.6 | -45.9 | -177.7 | -66.3 | 175.3 | 0 | 0 | 0 | 111.4 | L516 F540 E554 W555 S560 H561 E562 | L516-L558 HydrophobicContact CD2-CB 3.36Å; L516-L558 HydrophobicContact CD2-CD1 4.35Å; L516-L558 HydrophobicContact CD2-CG 4.48Å; F540-L558 HydrophobicContact CZ-CD1 4.41Å; E554-L558 HydrophobicContact CG-CD1 3.83Å; E554-L558 HydrophobicContact CG-CG 4.15Å; E554-L558 WeakPolarHBondContact O-CG 3.45Å; E554-L558 PolarHBondContact O-N 3.1Å; W555-L558 PolarHBondContact O-N 2.56Å; L558-S560 VanDerWaalsContact C-N 3.28Å; L558-S560 PolarHBondContact O-N 3.01Å; L558-H561 PolarHBondContact O-N 3.35Å; L558-H561 VanDerWaalsContact O-N 3.09Å; L558-E562 PolarHBondContact O-N 3.2Å; L558-E562 VanDerWaalsContact O-N 3.12Å |
| 559 | L | 93.6 | Very high | 87 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.1 | -36 | -179.5 | -176.1 | 58.3 | 0 | 0 | 0 | 111.3 | F517 W555 H561 E562 V563 F599 F603 | F517-L559 HydrophobicContact CD2-CD1 3.99Å; W555-L559 HydrophobicContact CH2-CD2 3.77Å; W555-L559 HydrophobicContact CZ2-CD2 3.28Å; W555-L559 WeakPolarHBondContact O-CB 3.33Å; W555-L559 PolarHBondContact O-N 2.73Å; L559-H561 PolarHBondContact O-N 2.93Å; L559-E562 HydrophobicContact CD1-CB 4.31Å; L559-E562 PolarHBondContact O-N 2.88Å; L559-E562 VanDerWaalsContact O-N 3.08Å; L559-V563 HydrophobicContact CD1-CG1 4.49Å; L559-V563 WeakPolarHBondContact O-CG1 3.41Å; L559-V563 PolarHBondContact O-N 3.34Å; L559-F599 HydrophobicContact CD1-CZ 4.27Å; L559-F599 HydrophobicContact CD2-CZ 4.01Å; L559-F603 HydrophobicContact CB-CE2 4.01Å; L559-F603 HydrophobicContact CB-CZ 4.13Å; L559-F603 HydrophobicContact CD2-CD2 3.53Å; L559-F603 HydrophobicContact CD2-CE2 3.53Å; L559-F603 HydrophobicContact CD2-CG 4.26Å; L559-F603 HydrophobicContact CD2-CZ 4.28Å; L559-F603 HydrophobicContact CG-CD2 4.19Å; L559-F603 HydrophobicContact CG-CE2 3.86Å; L559-F603 HydrophobicContact CG-CZ 4.11Å |
| 560 | S | 91.1 | Very high | 88 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.1 | -27 | 175.4 | 75.6 | 0 | 0 | 0 | 0 | 113.5 | F556 F557 L558 V563 D615 T616 | F556-S560 WeakPolarHBondContact O-CB 3.39Å; F556-S560 PolarHBondContact O-N 3.11Å; F556-S560 PolarHBondContact O-OG 2.86Å; F557-S560 PolarHBondContact O-N 3.42Å; F557-S560 PolarHBondContact O-OG 2.94Å; L558-S560 VanDerWaalsContact C-N 3.28Å; L558-S560 PolarHBondContact O-N 3.01Å; S560-V563 VanDerWaalsContact O-CG2 3.31Å; S560-V563 WeakPolarHBondContact O-CG2 3.3Å; S560-D615 PolarHBondContact OG-N 3.44Å; S560-D615 VanDerWaalsContact OG-N 3.09Å; S560-T616 VanDerWaalsContact CB-OG1 3.26Å; S560-T616 WeakPolarHBondContact CB-OG1 3.44Å; S560-T616 PolarHBondContact O-OG1 3Å |
| 561 | H | 86.9 | Confident | 88.5 | Confident | 23 Ų | 23 | 18 Ų | 18 | 11% | 0.106 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -80.8 | -40.6 | 171.2 | -71.9 | 87.2 | 0 | 0 | 0 | 112 | W359 L366 F557 L558 L559 V563 L564 D615 | W359-H561 WeakPolarHBondContact CZ2-O 3.44Å; L366-H561 HydrophobicContact CD1-CB 4.15Å; L366-H561 VanDerWaalsContact CD2-NE2 3.29Å; L366-H561 WeakPolarHBondContact CD2-NE2 3.48Å; F557-H561 AromaticContact CE2-CE1 3.57Å; F557-H561 AromaticContact CZ-CE1 3.77Å; F557-H561 PolarHBondContact O-N 3.01Å; F557-H561 PolarHBondContact O-ND1 2.92Å; L558-H561 PolarHBondContact O-N 3.35Å; L558-H561 VanDerWaalsContact O-N 3.09Å; L559-H561 PolarHBondContact O-N 2.93Å; H561-V563 VanDerWaalsContact C-N 3.3Å; H561-V563 PolarHBondContact O-N 3.37Å; H561-L564 WeakPolarHBondContact O-CB 3.24Å; H561-L564 PolarHBondContact O-N 2.87Å; H561-L564 VanDerWaalsContact O-N 3.1Å; H561-D615 IonicContact CE1-OD2 4Å; H561-D615 PolarHBondContact CE1-OD2 3Å; H561-D615 VanDerWaalsContact CE1-OD2 3.28Å; H561-D615 IonicContact NE2-OD2 2.95Å |
| 562 | E | 89.4 | Confident | 88.4 | Confident | 16 Ų | 16 | 20.1 Ų | 20.1 | 8% | 0.075 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.6 | -35.7 | 179.6 | -68.5 | -59.1 | 143.3 | 0 | 0 | 113.5 | R363 L516 F517 L558 L559 L564 N565 Y568 | R363-E562 IonicContact CZ-OE1 3.03Å; R363-E562 IonicContact NE-OE1 3.84Å; R363-E562 PolarHBondContact NE-OE1 3.49Å; R363-E562 IonicContact NH2-OE1 2.74Å; R363-E562 PolarHBondContact NH2-OE1 2.85Å; L516-E562 HydrophobicContact CB-CG 4.5Å; L516-E562 HydrophobicContact CD2-CG 3.88Å; L516-E562 HydrophobicContact CG-CG 4.4Å; F517-E562 HydrophobicContact CB-CB 4.04Å; F517-E562 HydrophobicContact CB-CG 4.44Å; F517-E562 HydrophobicContact CD2-CB 3.98Å; F517-E562 HydrophobicContact CG-CB 4.44Å; L558-E562 PolarHBondContact O-N 3.2Å; L558-E562 VanDerWaalsContact O-N 3.12Å; L559-E562 HydrophobicContact CD1-CB 4.31Å; L559-E562 PolarHBondContact O-N 2.88Å; L559-E562 VanDerWaalsContact O-N 3.08Å; E562-L564 PolarHBondContact O-N 2.79Å; E562-L564 VanDerWaalsContact O-N 3.08Å; E562-N565 VanDerWaalsContact O-CB 3.28Å; E562-N565 WeakPolarHBondContact O-CB 3.44Å; E562-N565 PolarHBondContact O-N 2.73Å; E562-Y568 WeakPolarHBondContact O-CE2 3.38Å |
| 563 | V | 88.6 | Confident | 87.9 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.006 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -17.6 | 178.5 | -54.4 | 0 | 0 | 0 | 0 | 112.9 | F517 L559 S560 H561 F571 I600 | F517-V563 HydrophobicContact CD2-CG1 4.38Å; F517-V563 HydrophobicContact CE2-CB 4.32Å; F517-V563 HydrophobicContact CE2-CG1 3.97Å; L559-V563 HydrophobicContact CD1-CG1 4.49Å; L559-V563 WeakPolarHBondContact O-CG1 3.41Å; L559-V563 PolarHBondContact O-N 3.34Å; S560-V563 VanDerWaalsContact O-CG2 3.31Å; S560-V563 WeakPolarHBondContact O-CG2 3.3Å; H561-V563 VanDerWaalsContact C-N 3.3Å; H561-V563 PolarHBondContact O-N 3.37Å; V563-F571 WeakPolarHBondContact O-CD2 3.1Å; V563-I600 HydrophobicContact CB-CD1 4.42Å; V563-I600 HydrophobicContact CB-CG1 4.31Å; V563-I600 HydrophobicContact CG1-CG1 4.15Å |
| 564 | L | 85.4 | Confident | 86.9 | Confident | 20 Ų | 20 | 19.9 Ų | 19.9 | 11% | 0.105 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 4.1 | 179.4 | -55.8 | 178.8 | 0 | 0 | 0 | 113.6 | H561 E562 P566 F571 L581 T616 | H561-L564 WeakPolarHBondContact O-CB 3.24Å; H561-L564 PolarHBondContact O-N 2.87Å; H561-L564 VanDerWaalsContact O-N 3.1Å; E562-L564 PolarHBondContact O-N 2.79Å; E562-L564 VanDerWaalsContact O-N 3.08Å; L564-P566 VanDerWaalsContact O-CD 3.23Å; L564-P566 WeakPolarHBondContact O-CD 3.25Å; L564-P566 VanDerWaalsContact O-N 3.12Å; L564-F571 HydrophobicContact CD2-CD2 3.9Å; L564-F571 HydrophobicContact CD2-CE2 4.35Å; L564-F571 HydrophobicContact CD2-CG 4.22Å; L564-L581 HydrophobicContact CD1-CD1 3.44Å; L564-L581 VanDerWaalsContact CD1-CD1 3.44Å; L564-L581 HydrophobicContact CD2-CD1 3.62Å; L564-L581 HydrophobicContact CD2-CD2 4.1Å; L564-L581 HydrophobicContact CD2-CG 4.36Å; L564-L581 HydrophobicContact CG-CD1 4.1Å; L564-T616 HydrophobicContact CD1-CG2 3.91Å; L564-T616 HydrophobicContact CD2-CG2 3.87Å; L564-T616 HydrophobicContact CG-CG2 4.17Å |
| 565 | N | 86.3 | Confident | 85.7 | Confident | 13 Ų | 13 | 19.8 Ų | 19.8 | 7% | 0.07 | 11% | 0.109 | C | C | . | . | trans | -58.2 | 118.1 | 178.5 | 179.1 | -11.9 | 0 | 0 | 0 | 109.8 | Y356 W359 E562 M567 Y568 | Y356-N565 WeakPolarHBondContact CE2-OD1 3.48Å; W359-N565 HydrophobicContact CH2-CB 3.75Å; W359-N565 HydrophobicContact CZ2-CB 3.74Å; W359-N565 HydrophobicContact CZ3-CB 4.35Å; E562-N565 VanDerWaalsContact O-CB 3.28Å; E562-N565 WeakPolarHBondContact O-CB 3.44Å; E562-N565 PolarHBondContact O-N 2.73Å; N565-M567 PolarHBondContact O-N 3.1Å; N565-M567 VanDerWaalsContact OD1-CB 3.28Å; N565-M567 WeakPolarHBondContact OD1-CB 3.48Å; N565-M567 WeakPolarHBondContact OD1-CG 3.43Å; N565-M567 PolarHBondContact OD1-N 3.28Å; N565-Y568 HydrophobicContact CB-CD2 3.64Å; N565-Y568 HydrophobicContact CB-CE2 3.64Å; N565-Y568 PolarHBondContact O-N 2.85Å; N565-Y568 VanDerWaalsContact O-N 3.11Å | ||
| 566 | P | 84.1 | Confident | 83.9 | Confident | 38 Ų | 38 | 29.8 Ų | 29.8 | 25% | 0.247 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -56.8 | -24.4 | -177 | -26.3 | 34.5 | 0 | 0 | 0 | 113.7 | W359 L564 Y568 C569 | W359-P566 HydrophobicContact CB-CG 4.34Å; W359-P566 HydrophobicContact CG-CG 4.33Å; L564-P566 VanDerWaalsContact O-CD 3.23Å; L564-P566 WeakPolarHBondContact O-CD 3.25Å; L564-P566 VanDerWaalsContact O-N 3.12Å; P566-Y568 VanDerWaalsContact C-N 3.27Å; P566-Y568 PolarHBondContact O-N 2.7Å; P566-C569 PolarHBondContact O-N 3.35Å |
| 567 | M | 84.3 | Confident | 81.9 | Confident | 9 Ų | 9 | 32 Ų | 32 | 4% | 0.044 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -69.9 | -22.9 | -177.1 | -64.6 | -71.5 | 157.5 | 0 | 0 | 113.6 | W323 T342 T344 Y356 N565 | W323-M567 HydrophobicContact CH2-CE 4.06Å; W323-M567 HydrophobicContact CH2-SD 3.69Å; W323-M567 HydrophobicContact CZ2-CE 3.99Å; W323-M567 HydrophobicContact CZ2-SD 4.24Å; T342-M567 HydrophobicContact CG2-CB 4.03Å; T342-M567 HydrophobicContact CG2-CG 3.57Å; T342-M567 HydrophobicContact CG2-SD 4.03Å; T344-M567 WeakPolarHBondContact CB-O 3.5Å; T344-M567 HydrophobicContact CG2-SD 3.78Å; T344-M567 PolarHBondContact OG1-O 3Å; Y356-M567 HydrophobicContact CD1-CE 3.85Å; Y356-M567 HydrophobicContact CD2-CE 3.65Å; Y356-M567 HydrophobicContact CD2-CG 3.53Å; Y356-M567 HydrophobicContact CD2-SD 4.45Å; Y356-M567 HydrophobicContact CE2-CE 4.38Å; Y356-M567 HydrophobicContact CE2-CG 3.52Å; Y356-M567 HydrophobicContact CG-CE 3.34Å; Y356-M567 HydrophobicContact CG-CG 4.21Å; N565-M567 PolarHBondContact O-N 3.1Å; N565-M567 VanDerWaalsContact OD1-CB 3.28Å; N565-M567 WeakPolarHBondContact OD1-CB 3.48Å; N565-M567 WeakPolarHBondContact OD1-CG 3.43Å; N565-M567 PolarHBondContact OD1-N 3.28Å |
| 568 | Y | 87.4 | Confident | 80.4 | Confident | 48 Ų | 48 | 35.7 Ų | 35.7 | 19% | 0.188 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -77.6 | -12.2 | 172.1 | -58.7 | -47.1 | 0 | 0 | 0 | 112.8 | F517 E562 N565 P566 L570 N590 | F517-Y568 HydrophobicContact CB-CE2 4.36Å; F517-Y568 HydrophobicContact CD1-CD2 4.37Å; F517-Y568 AromaticContact CD1-CE1 3.95Å; F517-Y568 HydrophobicContact CD1-CE1 3.95Å; F517-Y568 AromaticContact CD1-CE2 3.54Å; F517-Y568 HydrophobicContact CD1-CE2 3.54Å; F517-Y568 AromaticContact CD1-CZ 3.3Å; F517-Y568 VanDerWaalsContact CD1-OH 3.23Å; F517-Y568 WeakPolarHBondContact CD1-OH 3.23Å; F517-Y568 AromaticContact CD2-CE2 3.91Å; F517-Y568 HydrophobicContact CD2-CE2 3.91Å; F517-Y568 HydrophobicContact CE1-CD1 4.25Å; F517-Y568 AromaticContact CE1-CD2 3.97Å; F517-Y568 HydrophobicContact CE1-CD2 3.97Å; F517-Y568 AromaticContact CE1-CE1 3.91Å; F517-Y568 HydrophobicContact CE1-CE1 3.91Å; F517-Y568 AromaticContact CE1-CE2 3.6Å; F517-Y568 HydrophobicContact CE1-CE2 3.6Å; F517-Y568 HydrophobicContact CE1-CG 4.3Å; F517-Y568 AromaticContact CE1-CZ 3.58Å; F517-Y568 HydrophobicContact CE2-CD2 4.25Å; F517-Y568 AromaticContact CE2-CE2 3.99Å; F517-Y568 HydrophobicContact CE2-CE2 3.99Å; F517-Y568 AromaticContact CG-CE2 3.68Å; F517-Y568 HydrophobicContact CG-CE2 3.68Å; F517-Y568 AromaticContact CG-CZ 3.77Å; F517-Y568 AromaticContact CZ-CD2 3.92Å; F517-Y568 HydrophobicContact CZ-CD2 3.92Å; F517-Y568 AromaticContact CZ-CE2 3.85Å; F517-Y568 HydrophobicContact CZ-CE2 3.85Å; F517-Y568 HydrophobicContact CZ-CG 4.45Å; E562-Y568 WeakPolarHBondContact O-CE2 3.38Å; N565-Y568 HydrophobicContact CB-CD2 3.64Å; N565-Y568 HydrophobicContact CB-CE2 3.64Å; N565-Y568 PolarHBondContact O-N 2.85Å; N565-Y568 VanDerWaalsContact O-N 3.11Å; P566-Y568 VanDerWaalsContact C-N 3.27Å; P566-Y568 PolarHBondContact O-N 2.7Å; Y568-L570 PolarHBondContact O-N 3.28Å; Y568-N590 PolarHBondContact O-ND2 2.96Å |
| 569 | C | 88.3 | Confident | 78.8 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | trans | 58.9 | 24.4 | 179.2 | -52.5 | 0 | 0 | 0 | 0 | 114.2 | Q346 P566 N584 S587 I589 | Q346-C569 VanDerWaalsContact CB-SG 3.56Å; P566-C569 PolarHBondContact O-N 3.35Å; C569-N584 PolarHBondContact O-ND2 3.03Å; C569-S587 VanDerWaalsContact O-CA 3.27Å; C569-S587 WeakPolarHBondContact O-CA 3.38Å; C569-S587 WeakPolarHBondContact O-CB 3.35Å; C569-I589 HydrophobicContact CB-CG2 3.7Å | ||
| 570 | L | 90.1 | Very high | 77.5 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | trans | -84 | -42.5 | -175.8 | -56.5 | 177.6 | 0 | 0 | 0 | 112.5 | Y568 N584 H593 Y596 F597 I600 | Y568-L570 PolarHBondContact O-N 3.28Å; L570-N584 WeakPolarHBondContact O-CB 3.15Å; L570-N584 PolarHBondContact O-N 3.46Å; L570-H593 HydrophobicContact CD2-CB 3.98Å; L570-Y596 HydrophobicContact CD1-CG 4.26Å; L570-Y596 HydrophobicContact CD2-CD2 4.4Å; L570-Y596 HydrophobicContact CD2-CG 4.48Å; L570-F597 HydrophobicContact CB-CE1 4.44Å; L570-F597 HydrophobicContact CB-CZ 3.99Å; L570-F597 HydrophobicContact CD2-CE2 4.01Å; L570-F597 HydrophobicContact CD2-CZ 4.28Å; L570-F597 WeakPolarHBondContact O-CZ 3.42Å; L570-I600 HydrophobicContact CD1-CD1 3.73Å | ||
| 571 | F | 88.4 | Confident | 77 | Confident | 17 Ų | 17 | 38.3 Ų | 38.3 | 8% | 0.075 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 154.7 | -178.2 | -60.9 | -82.2 | 0 | 0 | 0 | 110.6 | V563 L564 L581 Q582 I583 F597 I600 F618 | V563-F571 WeakPolarHBondContact O-CD2 3.1Å; L564-F571 HydrophobicContact CD2-CD2 3.9Å; L564-F571 HydrophobicContact CD2-CE2 4.35Å; L564-F571 HydrophobicContact CD2-CG 4.22Å; F571-L581 HydrophobicContact CB-CD2 4.17Å; F571-Q582 CarbonylContact C-O 3.46Å; F571-Q582 VanDerWaalsContact CA-O 3.25Å; F571-Q582 WeakPolarHBondContact CA-O 3.44Å; F571-Q582 WeakPolarHBondContact CB-O 3.46Å; F571-Q582 WeakPolarHBondContact CD1-O 3.32Å; F571-I583 HydrophobicContact CE1-CG1 4.18Å; F571-F597 HydrophobicContact CE1-CE1 4.22Å; F571-F597 HydrophobicContact CZ-CE1 4.04Å; F571-I600 HydrophobicContact CE2-CD1 3.78Å; F571-I600 HydrophobicContact CZ-CD1 4.11Å; F571-F618 HydrophobicContact CE1-CD1 4.35Å; F571-F618 AromaticContact CE1-CE1 3.95Å; F571-F618 HydrophobicContact CE1-CE1 3.95Å; F571-F618 AromaticContact CZ-CE1 3.97Å; F571-F618 HydrophobicContact CZ-CE1 3.97Å |
| 572 | E | 81.9 | Confident | 76.8 | Confident | 64 Ų | 64 | 38.8 Ų | 38.8 | 30% | 0.299 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 160.2 | 170.4 | 65.8 | -178.8 | -163 | 0 | 0 | 109.3 | Q582 N584 P585 | E572-Q582 HydrophobicContact CG-CG 3.67Å; E572-Q582 PolarHBondContact N-O 2.73Å; E572-Q582 PolarHBondContact O-N 2.75Å; E572-Q582 PolarHBondContact OE1-NE2 2.92Å; E572-N584 HydrophobicContact CB-CB 4.22Å; E572-N584 HydrophobicContact CG-CB 4.21Å; E572-N584 PolarHBondContact OE2-OD1 3.47Å; E572-P585 WeakPolarHBondContact OE1-CD 3.44Å |
| 573 | Y | 77.6 | Confident | 76.7 | Confident | 65 Ų | 65 | 38.2 Ų | 38.2 | 26% | 0.255 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 134.9 | 170.9 | -66.8 | -73.8 | 0 | 0 | 0 | 109.4 | G575 N578 C580 L581 | Y573-G575 PolarHBondContact O-N 3.06Å; Y573-N578 VanDerWaalsContact CD1-CA 3.44Å; Y573-N578 HydrophobicContact CD1-CB 4.2Å; Y573-N578 WeakPolarHBondContact CD2-OD1 3.11Å; Y573-N578 VanDerWaalsContact CE1-CA 3.46Å; Y573-N578 HydrophobicContact CE1-CB 3.72Å; Y573-N578 WeakPolarHBondContact CE1-O 3.43Å; Y573-N578 HydrophobicContact CE2-CB 4.34Å; Y573-N578 VanDerWaalsContact CE2-OD1 3.26Å; Y573-N578 WeakPolarHBondContact CE2-OD1 3.29Å; Y573-C580 WeakPolarHBondContact CA-O 3.3Å; Y573-L581 HydrophobicContact CD1-CD2 3.83Å; Y573-L581 HydrophobicContact CD1-CG 4.08Å; Y573-L581 HydrophobicContact CE1-CD1 4.46Å; Y573-L581 HydrophobicContact CE1-CD2 3.54Å; Y573-L581 HydrophobicContact CE1-CG 3.79Å; Y573-L581 HydrophobicContact CG-CD2 4.47Å |
| 574 | A | 65.9 | Low | 76.7 | Confident | 22 Ų | 22 | 38.8 Ų | 38.8 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -67.4 | -17.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | C580 Q582 I639 | A574-C580 HydrophobicContact CB-CB 4.41Å; A574-C580 PolarHBondContact N-O 3.41Å; A574-Q582 HydrophobicContact CB-CG 4.36Å; A574-I639 HydrophobicContact CB-CD1 4.14Å; A574-I639 HydrophobicContact CB-CG2 4.15Å; A574-I639 WeakPolarHBondContact CB-O 3.28Å |
| 575 | G | 62.4 | Low | 76.6 | Confident | 45 Ų | 45 | 40 Ų | 40 | 46% | 0.464 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -139.6 | -171.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y573 D577 | Y573-G575 PolarHBondContact O-N 3.06Å; G575-D577 PolarHBondContact O-N 2.79Å |
| 576 | K | 53.9 | Low | 76.5 | Confident | 209 Ų | 209 | 41 Ų | 41 | 91% | 0.909 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -68.6 | -14.6 | -178.7 | -71.6 | -178.5 | 178 | 176.4 | 0 | 114.1 | ||
| 577 | D | 53.2 | Low | 76.8 | Confident | 47 Ų | 47 | 39.2 Ų | 39.2 | 25% | 0.251 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -115.7 | 154.4 | 179.5 | -62.5 | -67.4 | 0 | 0 | 0 | 111.2 | G575 Y579 S807 N808 G809 | G575-D577 PolarHBondContact O-N 2.79Å; D577-Y579 PolarHBondContact O-N 2.94Å; D577-S807 VanDerWaalsContact OD2-O 3.06Å; D577-N808 WeakPolarHBondContact OD2-CA 3.41Å; D577-N808 PolarHBondContact OD2-N 3.43Å; D577-G809 VanDerWaalsContact CG-N 3.31Å; D577-G809 WeakPolarHBondContact OD2-CA 3.35Å; D577-G809 PolarHBondContact OD2-N 3.39Å |
| 578 | N | 59.4 | Low | 76.9 | Confident | 79 Ų | 79 | 44.6 Ų | 44.6 | 42% | 0.422 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | 33.6 | -174.4 | -66.5 | -18.1 | 0 | 0 | 0 | 114.6 | Y573 | Y573-N578 VanDerWaalsContact CD1-CA 3.44Å; Y573-N578 HydrophobicContact CD1-CB 4.2Å; Y573-N578 WeakPolarHBondContact CD2-OD1 3.11Å; Y573-N578 VanDerWaalsContact CE1-CA 3.46Å; Y573-N578 HydrophobicContact CE1-CB 3.72Å; Y573-N578 WeakPolarHBondContact CE1-O 3.43Å; Y573-N578 HydrophobicContact CE2-CB 4.34Å; Y573-N578 VanDerWaalsContact CE2-OD1 3.26Å; Y573-N578 WeakPolarHBondContact CE2-OD1 3.29Å |
| 579 | Y | 56.9 | Low | 76.8 | Confident | 50 Ų | 50 | 45.3 Ų | 45.3 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -49.3 | -163.3 | -165.8 | -112.3 | 0 | 0 | 0 | 114.1 | D577 T791 M805 N832 | D577-Y579 PolarHBondContact O-N 2.94Å; Y579-T791 PolarHBondContact OH-O 3.38Å; Y579-M805 HydrophobicContact CD2-CB 3.93Å; Y579-M805 HydrophobicContact CE2-CB 4.26Å; Y579-M805 WeakPolarHBondContact CE2-O 3.11Å; Y579-N832 PolarHBondContact OH-OD1 2.64Å |
| 580 | C | 66.8 | Low | 76.7 | Confident | 24 Ų | 24 | 45.3 Ų | 45.3 | 16% | 0.162 | 23% | 0.234 | C | C | . | . | trans | -132.4 | 126.9 | -177.8 | -76.4 | 0 | 0 | 0 | 0 | 111 | Y573 A574 | Y573-C580 WeakPolarHBondContact CA-O 3.3Å; A574-C580 HydrophobicContact CB-CB 4.41Å; A574-C580 PolarHBondContact N-O 3.41Å | ||
| 581 | L | 79.1 | Confident | 76.6 | Confident | 13 Ų | 13 | 47.7 Ų | 47.7 | 7% | 0.068 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 133.7 | 177.5 | -73 | 151.9 | 0 | 0 | 0 | 110.3 | L564 F571 Y573 T616 S619 | L564-L581 HydrophobicContact CD1-CD1 3.44Å; L564-L581 VanDerWaalsContact CD1-CD1 3.44Å; L564-L581 HydrophobicContact CD2-CD1 3.62Å; L564-L581 HydrophobicContact CD2-CD2 4.1Å; L564-L581 HydrophobicContact CD2-CG 4.36Å; L564-L581 HydrophobicContact CG-CD1 4.1Å; F571-L581 HydrophobicContact CB-CD2 4.17Å; Y573-L581 HydrophobicContact CD1-CD2 3.83Å; Y573-L581 HydrophobicContact CD1-CG 4.08Å; Y573-L581 HydrophobicContact CE1-CD1 4.46Å; Y573-L581 HydrophobicContact CE1-CD2 3.54Å; Y573-L581 HydrophobicContact CE1-CG 3.79Å; Y573-L581 HydrophobicContact CG-CD2 4.47Å; L581-T616 HydrophobicContact CD1-CG2 4.34Å; L581-S619 PolarHBondContact O-N 3.03Å |
| 582 | Q | 83.1 | Confident | 76.8 | Confident | 32 Ų | 32 | 48.9 Ų | 48.9 | 15% | 0.15 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 159.2 | 171.5 | 68.9 | -176.7 | 5.6 | 0 | 0 | 110.5 | F571 E572 A574 N584 | F571-Q582 CarbonylContact C-O 3.46Å; F571-Q582 VanDerWaalsContact CA-O 3.25Å; F571-Q582 WeakPolarHBondContact CA-O 3.44Å; F571-Q582 WeakPolarHBondContact CB-O 3.46Å; F571-Q582 WeakPolarHBondContact CD1-O 3.32Å; E572-Q582 HydrophobicContact CG-CG 3.67Å; E572-Q582 PolarHBondContact N-O 2.73Å; E572-Q582 PolarHBondContact O-N 2.75Å; E572-Q582 PolarHBondContact OE1-NE2 2.92Å; A574-Q582 HydrophobicContact CB-CG 4.36Å; Q582-N584 PolarHBondContact O-N 3.38Å |
| 583 | I | 88.6 | Confident | 77.4 | Confident | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 130.9 | 171.8 | -63.8 | 177.1 | 0 | 0 | 0 | 108 | F571 P585 F597 F622 V709 Q712 T713 | F571-I583 HydrophobicContact CE1-CG1 4.18Å; I583-P585 VanDerWaalsContact O-CD 3.26Å; I583-P585 WeakPolarHBondContact O-CD 3.23Å; I583-F597 HydrophobicContact CD1-CE1 4.33Å; I583-F597 HydrophobicContact CG1-CE1 4.03Å; I583-F597 HydrophobicContact CG1-CZ 4.47Å; I583-F597 HydrophobicContact CG2-CE1 4.09Å; I583-F597 HydrophobicContact CG2-CE2 4.4Å; I583-F597 HydrophobicContact CG2-CZ 3.68Å; I583-F622 HydrophobicContact CD1-CD2 4.36Å; I583-F622 HydrophobicContact CD1-CE2 4Å; I583-F622 HydrophobicContact CG1-CD2 4.35Å; I583-F622 HydrophobicContact CG1-CE2 4.1Å; I583-V709 HydrophobicContact CB-CB 4.07Å; I583-V709 HydrophobicContact CB-CG1 3.8Å; I583-V709 HydrophobicContact CD1-CB 4.44Å; I583-V709 HydrophobicContact CG2-CB 3.83Å; I583-V709 HydrophobicContact CG2-CG1 3.59Å; I583-Q712 HydrophobicContact CD1-CB 4.22Å; I583-Q712 HydrophobicContact CG2-CB 3.72Å; I583-Q712 HydrophobicContact CG2-CG 3.91Å; I583-T713 WeakPolarHBondContact CD1-OG1 3.37Å |
| 584 | N | 86.8 | Confident | 78.3 | Confident | 13 Ų | 13 | 46.4 Ų | 46.4 | 7% | 0.07 | 25% | 0.249 | C | C | . | . | trans | -72.4 | 117.2 | 174.1 | -179.7 | -5 | 0 | 0 | 0 | 109.6 | C569 L570 E572 Q582 A586 S587 | C569-N584 PolarHBondContact O-ND2 3.03Å; L570-N584 WeakPolarHBondContact O-CB 3.15Å; L570-N584 PolarHBondContact O-N 3.46Å; E572-N584 HydrophobicContact CB-CB 4.22Å; E572-N584 HydrophobicContact CG-CB 4.21Å; E572-N584 PolarHBondContact OE2-OD1 3.47Å; Q582-N584 PolarHBondContact O-N 3.38Å; N584-A586 PolarHBondContact O-N 2.74Å; N584-A586 WeakPolarHBondContact OD1-CA 3.05Å; N584-A586 VanDerWaalsContact OD1-CB 3.3Å; N584-A586 WeakPolarHBondContact OD1-CB 3.32Å; N584-A586 PolarHBondContact OD1-N 2.66Å; N584-S587 WeakPolarHBondContact O-CB 3.3Å; N584-S587 PolarHBondContact O-N 2.92Å; N584-S587 PolarHBondContact O-OG 3.04Å | ||
| 585 | P | 85.2 | Confident | 79.7 | Confident | 44 Ų | 44 | 50.8 Ų | 50.8 | 29% | 0.286 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -61.4 | -25 | 176 | -21.3 | 33.6 | 0 | 0 | 0 | 113.2 | E572 I583 S587 Y588 G708 V709 | E572-P585 WeakPolarHBondContact OE1-CD 3.44Å; I583-P585 VanDerWaalsContact O-CD 3.26Å; I583-P585 WeakPolarHBondContact O-CD 3.23Å; P585-S587 VanDerWaalsContact C-N 3.28Å; P585-S587 PolarHBondContact O-N 3.01Å; P585-Y588 VanDerWaalsContact O-CD1 3.29Å; P585-Y588 WeakPolarHBondContact O-CD1 3.17Å; P585-Y588 WeakPolarHBondContact O-CE1 3.31Å; P585-G708 VanDerWaalsContact CA-O 3.32Å; P585-G708 WeakPolarHBondContact CA-O 3.42Å; P585-V709 HydrophobicContact CB-CG1 4.26Å; P585-V709 HydrophobicContact CG-CG1 3.95Å |
| 586 | A | 84.3 | Confident | 81.4 | Confident | 36 Ų | 36 | 49.9 Ų | 49.9 | 30% | 0.298 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -86 | 9.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | N584 Y588 I589 | N584-A586 PolarHBondContact O-N 2.74Å; N584-A586 WeakPolarHBondContact OD1-CA 3.05Å; N584-A586 VanDerWaalsContact OD1-CB 3.3Å; N584-A586 WeakPolarHBondContact OD1-CB 3.32Å; N584-A586 PolarHBondContact OD1-N 2.66Å; A586-Y588 HydrophobicContact CB-CE1 4.32Å; A586-Y588 PolarHBondContact O-N 3.12Å; A586-Y588 VanDerWaalsContact O-N 3.07Å; A586-I589 WeakPolarHBondContact O-CB 3.37Å; A586-I589 WeakPolarHBondContact O-CG2 3.44Å; A586-I589 PolarHBondContact O-N 2.74Å |
| 587 | S | 89.6 | Confident | 83.4 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -59.3 | -20.8 | 179.4 | 51.7 | 0 | 0 | 0 | 0 | 114.1 | C569 N584 P585 I589 N590 H593 Q712 | C569-S587 VanDerWaalsContact O-CA 3.27Å; C569-S587 WeakPolarHBondContact O-CA 3.38Å; C569-S587 WeakPolarHBondContact O-CB 3.35Å; N584-S587 WeakPolarHBondContact O-CB 3.3Å; N584-S587 PolarHBondContact O-N 2.92Å; N584-S587 PolarHBondContact O-OG 3.04Å; P585-S587 VanDerWaalsContact C-N 3.28Å; P585-S587 PolarHBondContact O-N 3.01Å; S587-I589 PolarHBondContact O-N 2.74Å; S587-N590 WeakPolarHBondContact O-CB 3.24Å; S587-N590 PolarHBondContact O-N 3.49Å; S587-H593 VanDerWaalsContact O-CB 3.25Å; S587-H593 WeakPolarHBondContact O-CB 3.45Å; S587-H593 PolarHBondContact OG-ND1 3.3Å; S587-Q712 WeakPolarHBondContact OG-CG 3.43Å; S587-Q712 PolarHBondContact OG-NE2 3.26Å |
| 588 | Y | 86.8 | Confident | 85.5 | Confident | 122 Ų | 122 | 42 Ų | 42 | 48% | 0.478 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -56.7 | -17.9 | 172.6 | 65.6 | -99.9 | 0 | 0 | 0 | 113.5 | P585 A586 N590 H593 | P585-Y588 VanDerWaalsContact O-CD1 3.29Å; P585-Y588 WeakPolarHBondContact O-CD1 3.17Å; P585-Y588 WeakPolarHBondContact O-CE1 3.31Å; A586-Y588 HydrophobicContact CB-CE1 4.32Å; A586-Y588 PolarHBondContact O-N 3.12Å; A586-Y588 VanDerWaalsContact O-N 3.07Å; Y588-N590 PolarHBondContact O-N 2.95Å; Y588-H593 PolarHBondContact N-ND1 2.88Å |
| 589 | I | 83.9 | Confident | 87.3 | Confident | 62 Ų | 62 | 38.2 Ų | 38.2 | 32% | 0.318 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -58.3 | -31.6 | 171.3 | -160.8 | 158.6 | 0 | 0 | 0 | 111.7 | W345 Q346 C569 A586 S587 P591 | W345-I589 HydrophobicContact CB-CG1 4.44Å; W345-I589 VanDerWaalsContact CB-O 3.26Å; W345-I589 WeakPolarHBondContact CB-O 3.48Å; Q346-I589 HydrophobicContact CB-CD1 3.85Å; Q346-I589 HydrophobicContact CB-CG2 4.45Å; Q346-I589 HydrophobicContact CG-CD1 3.98Å; C569-I589 HydrophobicContact CB-CG2 3.7Å; A586-I589 WeakPolarHBondContact O-CB 3.37Å; A586-I589 WeakPolarHBondContact O-CG2 3.44Å; A586-I589 PolarHBondContact O-N 2.74Å; S587-I589 PolarHBondContact O-N 2.74Å; I589-P591 WeakPolarHBondContact O-CD 3.47Å |
| 590 | N | 87.1 | Confident | 89.2 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -87 | 112.4 | 168.6 | 178.9 | -11.6 | 0 | 0 | 0 | 108.5 | W345 Y568 S587 Y588 D592 H593 | W345-N590 HydrophobicContact CG-CB 4.37Å; Y568-N590 PolarHBondContact O-ND2 2.96Å; S587-N590 WeakPolarHBondContact O-CB 3.24Å; S587-N590 PolarHBondContact O-N 3.49Å; Y588-N590 PolarHBondContact O-N 2.95Å; N590-D592 PolarHBondContact O-N 2.88Å; N590-D592 VanDerWaalsContact O-N 3.1Å; N590-D592 PolarHBondContact OD1-N 3.26Å; N590-H593 HydrophobicContact CB-CB 4.16Å; N590-H593 VanDerWaalsContact O-CB 3.25Å; N590-H593 WeakPolarHBondContact O-CB 3.15Å; N590-H593 PolarHBondContact O-CD2 3.47Å; N590-H593 PolarHBondContact O-N 2.9Å |
| 591 | P | 88.3 | Confident | 90.5 | Very high | 51 Ų | 51 | 34.7 Ų | 34.7 | 33% | 0.331 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -19.4 | -174.9 | 27.5 | -35.4 | 0 | 0 | 0 | 113.5 | R332 W345 I589 | R332-P591 VanDerWaalsContact NH1-CB 3.26Å; W345-P591 VanDerWaalsContact CD2-CD 3.49Å; W345-P591 HydrophobicContact CD2-CG 4.13Å; W345-P591 HydrophobicContact CE3-CG 4.3Å; W345-P591 HydrophobicContact CH2-CG 3.97Å; W345-P591 HydrophobicContact CZ2-CG 3.75Å; W345-P591 HydrophobicContact CZ3-CG 4.23Å; I589-P591 WeakPolarHBondContact O-CD 3.47Å |
| 592 | D | 92.3 | Very high | 91.4 | Very high | 43 Ų | 43 | 34.7 Ų | 34.7 | 23% | 0.23 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 10.6 | 177.9 | -68.8 | -62.5 | 0 | 0 | 0 | 112.4 | N590 L594 K595 Y596 | N590-D592 PolarHBondContact O-N 2.88Å; N590-D592 VanDerWaalsContact O-N 3.1Å; N590-D592 PolarHBondContact OD1-N 3.26Å; D592-L594 VanDerWaalsContact C-N 3.31Å; D592-L594 PolarHBondContact O-N 3.31Å; D592-K595 HydrophobicContact CB-CD 4.44Å; D592-K595 WeakPolarHBondContact O-CB 3.44Å; D592-K595 PolarHBondContact O-N 3.26Å; D592-K595 WeakPolarHBondContact OD1-CE 3.38Å; D592-K595 IonicContact OD1-NZ 2.82Å; D592-K595 PolarHBondContact OD1-NZ 2.94Å; D592-Y596 HydrophobicContact CB-CD2 4.18Å; D592-Y596 HydrophobicContact CB-CE2 3.89Å; D592-Y596 VanDerWaalsContact O-CD2 3.29Å; D592-Y596 WeakPolarHBondContact O-CD2 3.44Å; D592-Y596 PolarHBondContact O-N 2.99Å |
| 593 | H | 94 | Very high | 92.1 | Very high | 15 Ų | 15 | 33.1 Ų | 33.1 | 7% | 0.069 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -53.1 | -42.4 | -175.7 | 74.2 | 132.5 | 0 | 0 | 0 | 113.5 | L570 S587 Y588 N590 K595 Y596 F597 | L570-H593 HydrophobicContact CD2-CB 3.98Å; S587-H593 VanDerWaalsContact O-CB 3.25Å; S587-H593 WeakPolarHBondContact O-CB 3.45Å; S587-H593 PolarHBondContact OG-ND1 3.3Å; Y588-H593 PolarHBondContact N-ND1 2.88Å; N590-H593 HydrophobicContact CB-CB 4.16Å; N590-H593 VanDerWaalsContact O-CB 3.25Å; N590-H593 WeakPolarHBondContact O-CB 3.15Å; N590-H593 PolarHBondContact O-CD2 3.47Å; N590-H593 PolarHBondContact O-N 2.9Å; H593-K595 VanDerWaalsContact C-N 3.32Å; H593-K595 PolarHBondContact O-N 3.29Å; H593-Y596 CarbonylContact O-C 3.05Å; H593-Y596 WeakPolarHBondContact O-CB 3.5Å; H593-Y596 PolarHBondContact O-N 3.45Å; H593-Y596 VanDerWaalsContact O-N 3.14Å; H593-F597 HydrophobicContact CB-CD2 4.46Å; H593-F597 HydrophobicContact CB-CE2 4.3Å; H593-F597 WeakPolarHBondContact O-CD2 3.32Å; H593-F597 PolarHBondContact O-N 2.95Å |
| 594 | L | 96.6 | Very high | 92.4 | Very high | 62 Ų | 62 | 32.9 Ų | 32.9 | 33% | 0.325 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -63.5 | -36.9 | 178 | -58.5 | -175.7 | 0 | 0 | 0 | 112.3 | D592 Y596 F597 R598 E711 Q712 A715 | D592-L594 VanDerWaalsContact C-N 3.31Å; D592-L594 PolarHBondContact O-N 3.31Å; L594-Y596 VanDerWaalsContact C-N 3.33Å; L594-F597 PolarHBondContact O-N 3.06Å; L594-R598 PolarHBondContact O-N 3.08Å; L594-E711 HydrophobicContact CD2-CB 3.9Å; L594-Q712 HydrophobicContact CD2-CG 4.41Å; L594-A715 HydrophobicContact CB-CB 4.09Å; L594-A715 HydrophobicContact CD2-CB 4.2Å; L594-A715 WeakPolarHBondContact O-CB 3.14Å |
| 595 | K | 96.6 | Very high | 92.8 | Very high | 114 Ų | 114 | 32.3 Ų | 32.3 | 50% | 0.496 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -66.1 | -39.9 | 175 | -62.7 | 177.1 | -171.5 | 156.3 | 0 | 110.7 | F521 D592 H593 R598 F599 | F521-K595 HydrophobicContact CE2-CB 4.35Å; F521-K595 HydrophobicContact CZ-CB 4.18Å; D592-K595 HydrophobicContact CB-CD 4.44Å; D592-K595 WeakPolarHBondContact O-CB 3.44Å; D592-K595 PolarHBondContact O-N 3.26Å; D592-K595 WeakPolarHBondContact OD1-CE 3.38Å; D592-K595 IonicContact OD1-NZ 2.82Å; D592-K595 PolarHBondContact OD1-NZ 2.94Å; H593-K595 VanDerWaalsContact C-N 3.32Å; H593-K595 PolarHBondContact O-N 3.29Å; K595-R598 PolarHBondContact O-N 3.35Å; K595-F599 WeakPolarHBondContact O-CB 3.38Å; K595-F599 PolarHBondContact O-N 2.83Å |
| 596 | Y | 96.8 | Very high | 93.3 | Very high | 26 Ų | 26 | 30.2 Ų | 30.2 | 10% | 0.102 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.7 | -41.7 | 174 | -71.2 | -60.7 | 0 | 0 | 0 | 112 | F517 F521 L570 D592 H593 L594 R598 F599 I600 | F517-Y596 HydrophobicContact CD1-CE1 4.43Å; F517-Y596 AromaticContact CE1-CD1 3.65Å; F517-Y596 HydrophobicContact CE1-CD1 3.65Å; F517-Y596 AromaticContact CE1-CE1 3.36Å; F517-Y596 HydrophobicContact CE1-CE1 3.36Å; F517-Y596 AromaticContact CZ-CD1 3.62Å; F517-Y596 HydrophobicContact CZ-CD1 3.62Å; F517-Y596 AromaticContact CZ-CE1 3.86Å; F517-Y596 HydrophobicContact CZ-CE1 3.86Å; F517-Y596 HydrophobicContact CZ-CG 4.49Å; F521-Y596 HydrophobicContact CD1-CE1 4.11Å; F521-Y596 AromaticContact CD2-CD1 3.72Å; F521-Y596 HydrophobicContact CD2-CD1 3.72Å; F521-Y596 AromaticContact CD2-CE1 3.82Å; F521-Y596 HydrophobicContact CD2-CE1 3.82Å; F521-Y596 HydrophobicContact CE1-CE1 4.17Å; F521-Y596 AromaticContact CE2-CD1 3.71Å; F521-Y596 HydrophobicContact CE2-CD1 3.71Å; F521-Y596 AromaticContact CE2-CE1 3.89Å; F521-Y596 HydrophobicContact CE2-CE1 3.89Å; F521-Y596 HydrophobicContact CE2-CG 4.47Å; F521-Y596 HydrophobicContact CG-CD1 4.3Å; F521-Y596 AromaticContact CG-CE1 3.94Å; F521-Y596 HydrophobicContact CG-CE1 3.94Å; F521-Y596 HydrophobicContact CZ-CD1 4.26Å; F521-Y596 HydrophobicContact CZ-CE1 4.07Å; L570-Y596 HydrophobicContact CD1-CG 4.26Å; L570-Y596 HydrophobicContact CD2-CD2 4.4Å; L570-Y596 HydrophobicContact CD2-CG 4.48Å; D592-Y596 HydrophobicContact CB-CD2 4.18Å; D592-Y596 HydrophobicContact CB-CE2 3.89Å; D592-Y596 VanDerWaalsContact O-CD2 3.29Å; D592-Y596 WeakPolarHBondContact O-CD2 3.44Å; D592-Y596 PolarHBondContact O-N 2.99Å; H593-Y596 CarbonylContact O-C 3.05Å; H593-Y596 WeakPolarHBondContact O-CB 3.5Å; H593-Y596 PolarHBondContact O-N 3.45Å; H593-Y596 VanDerWaalsContact O-N 3.14Å; L594-Y596 VanDerWaalsContact C-N 3.33Å; Y596-R598 PolarHBondContact O-N 2.84Å; Y596-F599 WeakPolarHBondContact O-CB 3.49Å; Y596-F599 PolarHBondContact O-N 2.8Å; Y596-I600 WeakPolarHBondContact O-CD1 3.15Å; Y596-I600 WeakPolarHBondContact O-CG1 3.24Å; Y596-I600 PolarHBondContact O-N 2.78Å |
| 597 | F | 96.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63 | -42 | 174.7 | -78.4 | -66 | 0 | 0 | 0 | 112.4 | L570 F571 I583 H593 L594 F599 I600 G601 Q712 A715 F716 | L570-F597 HydrophobicContact CB-CE1 4.44Å; L570-F597 HydrophobicContact CB-CZ 3.99Å; L570-F597 HydrophobicContact CD2-CE2 4.01Å; L570-F597 HydrophobicContact CD2-CZ 4.28Å; L570-F597 WeakPolarHBondContact O-CZ 3.42Å; F571-F597 HydrophobicContact CE1-CE1 4.22Å; F571-F597 HydrophobicContact CZ-CE1 4.04Å; I583-F597 HydrophobicContact CD1-CE1 4.33Å; I583-F597 HydrophobicContact CG1-CE1 4.03Å; I583-F597 HydrophobicContact CG1-CZ 4.47Å; I583-F597 HydrophobicContact CG2-CE1 4.09Å; I583-F597 HydrophobicContact CG2-CE2 4.4Å; I583-F597 HydrophobicContact CG2-CZ 3.68Å; H593-F597 HydrophobicContact CB-CD2 4.46Å; H593-F597 HydrophobicContact CB-CE2 4.3Å; H593-F597 WeakPolarHBondContact O-CD2 3.32Å; H593-F597 PolarHBondContact O-N 2.95Å; L594-F597 PolarHBondContact O-N 3.06Å; F597-F599 VanDerWaalsContact C-N 3.34Å; F597-F599 PolarHBondContact O-N 2.78Å; F597-I600 HydrophobicContact CD1-CD1 4.43Å; F597-I600 PolarHBondContact O-N 3.12Å; F597-G601 PolarHBondContact O-N 2.84Å; F597-Q712 HydrophobicContact CD1-CB 4.36Å; F597-Q712 HydrophobicContact CD2-CB 3.57Å; F597-Q712 HydrophobicContact CD2-CG 3.68Å; F597-Q712 HydrophobicContact CE1-CB 4.34Å; F597-Q712 HydrophobicContact CE2-CB 3.57Å; F597-Q712 HydrophobicContact CE2-CG 3.37Å; F597-Q712 HydrophobicContact CG-CB 4.01Å; F597-Q712 HydrophobicContact CZ-CB 3.97Å; F597-Q712 HydrophobicContact CZ-CG 4.05Å; F597-A715 HydrophobicContact CB-CB 4.05Å; F597-F716 HydrophobicContact CB-CB 4.35Å; F597-F716 WeakPolarHBondContact O-CA 3.26Å |
| 598 | R | 97.4 | Very high | 93.9 | Very high | 89 Ų | 89 | 28.5 Ų | 28.5 | 34% | 0.336 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -61 | -42 | 172.8 | -173.6 | 173.9 | 175.3 | -169.4 | 0.7 | 112.3 | M525 L594 K595 Y596 G601 R602 A715 G719 E722 | M525-R598 HydrophobicContact CE-CB 4.33Å; M525-R598 HydrophobicContact CE-CG 4.16Å; L594-R598 PolarHBondContact O-N 3.08Å; K595-R598 PolarHBondContact O-N 3.35Å; Y596-R598 PolarHBondContact O-N 2.84Å; R598-G601 PolarHBondContact O-N 3.19Å; R598-R602 PolarHBondContact O-N 2.79Å; R598-A715 WeakPolarHBondContact CA-O 3.39Å; R598-A715 WeakPolarHBondContact CB-O 3.35Å; R598-G719 WeakPolarHBondContact O-CA 3.34Å; R598-E722 IonicContact CZ-OE1 3.14Å; R598-E722 IonicContact NE-OE1 3.85Å; R598-E722 PolarHBondContact NE-OE1 2.69Å; R598-E722 IonicContact NE-OE2 2.75Å; R598-E722 IonicContact NH2-OE1 3.1Å; R598-E722 PolarHBondContact NH2-OE1 3Å; R598-E722 IonicContact NH2-OE2 3.59Å |
| 599 | F | 97.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.7 | -46.7 | 172.3 | 162.4 | -109.4 | 0 | 0 | 0 | 112.2 | F517 F521 I524 M525 L559 K595 Y596 F597 G601 R602 F603 | F517-F599 HydrophobicContact CD2-CE1 4.37Å; F517-F599 HydrophobicContact CE2-CD1 4.48Å; F517-F599 AromaticContact CE2-CE1 3.91Å; F517-F599 HydrophobicContact CE2-CE1 3.91Å; F517-F599 HydrophobicContact CZ-CE1 4.34Å; F521-F599 HydrophobicContact CB-CD2 4.49Å; F521-F599 HydrophobicContact CB-CE1 4.45Å; F521-F599 HydrophobicContact CB-CE2 4.39Å; F521-F599 HydrophobicContact CB-CZ 4.36Å; F521-F599 HydrophobicContact CD2-CB 3.65Å; F521-F599 AromaticContact CD2-CD1 3.96Å; F521-F599 HydrophobicContact CD2-CD1 3.96Å; F521-F599 HydrophobicContact CD2-CD2 4.11Å; F521-F599 AromaticContact CD2-CG 3.64Å; F521-F599 HydrophobicContact CD2-CG 3.64Å; F521-F599 HydrophobicContact CE2-CB 3.92Å; F521-F599 HydrophobicContact CE2-CG 4.4Å; I524-F599 HydrophobicContact CB-CD2 4.01Å; I524-F599 HydrophobicContact CB-CE2 3.86Å; I524-F599 HydrophobicContact CD1-CE2 3.73Å; I524-F599 HydrophobicContact CG1-CE2 4.32Å; I524-F599 HydrophobicContact CG2-CD2 3.88Å; I524-F599 HydrophobicContact CG2-CE2 4.07Å; M525-F599 HydrophobicContact CG-CB 4.04Å; M525-F599 HydrophobicContact CG-CD2 4.32Å; M525-F599 HydrophobicContact SD-CB 3.68Å; M525-F599 HydrophobicContact SD-CD2 4.49Å; L559-F599 HydrophobicContact CD1-CZ 4.27Å; L559-F599 HydrophobicContact CD2-CZ 4.01Å; K595-F599 WeakPolarHBondContact O-CB 3.38Å; K595-F599 PolarHBondContact O-N 2.83Å; Y596-F599 WeakPolarHBondContact O-CB 3.49Å; Y596-F599 PolarHBondContact O-N 2.8Å; F597-F599 VanDerWaalsContact C-N 3.34Å; F597-F599 PolarHBondContact O-N 2.78Å; F599-G601 VanDerWaalsContact C-N 3.3Å; F599-G601 PolarHBondContact O-N 3.49Å; F599-R602 WeakPolarHBondContact O-CB 3.21Å; F599-R602 PolarHBondContact O-N 2.78Å; F599-F603 WeakPolarHBondContact O-CB 3.27Å; F599-F603 PolarHBondContact O-N 2.83Å |
| 600 | I | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.2 | -41.3 | 177.8 | -66 | 160.2 | 0 | 0 | 0 | 109.9 | V563 L570 F571 Y596 F597 R602 F603 I604 F716 | V563-I600 HydrophobicContact CB-CD1 4.42Å; V563-I600 HydrophobicContact CB-CG1 4.31Å; V563-I600 HydrophobicContact CG1-CG1 4.15Å; L570-I600 HydrophobicContact CD1-CD1 3.73Å; F571-I600 HydrophobicContact CE2-CD1 3.78Å; F571-I600 HydrophobicContact CZ-CD1 4.11Å; Y596-I600 WeakPolarHBondContact O-CD1 3.15Å; Y596-I600 WeakPolarHBondContact O-CG1 3.24Å; Y596-I600 PolarHBondContact O-N 2.78Å; F597-I600 HydrophobicContact CD1-CD1 4.43Å; F597-I600 PolarHBondContact O-N 3.12Å; I600-R602 PolarHBondContact O-N 2.95Å; I600-F603 WeakPolarHBondContact O-CB 3.3Å; I600-F603 PolarHBondContact O-N 3.24Å; I600-I604 HydrophobicContact CG2-CG1 4.14Å; I600-I604 VanDerWaalsContact O-CG1 3.29Å; I600-I604 WeakPolarHBondContact O-CG1 3.24Å; I600-I604 PolarHBondContact O-N 2.88Å; I600-F716 HydrophobicContact CB-CD2 4.41Å; I600-F716 HydrophobicContact CG2-CD2 4.04Å; I600-F716 HydrophobicContact CG2-CE2 3.93Å |
| 601 | G | 95.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -54.7 | -49.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F597 R598 F599 F603 I604 A605 F716 F720 | F597-G601 PolarHBondContact O-N 2.84Å; R598-G601 PolarHBondContact O-N 3.19Å; F599-G601 VanDerWaalsContact C-N 3.3Å; F599-G601 PolarHBondContact O-N 3.49Å; G601-F603 PolarHBondContact O-N 3.41Å; G601-I604 PolarHBondContact O-N 2.98Å; G601-A605 WeakPolarHBondContact O-CB 3.2Å; G601-A605 PolarHBondContact O-N 3.07Å; G601-F716 WeakPolarHBondContact CA-O 3.41Å; G601-F720 WeakPolarHBondContact O-CA 3.41Å |
| 602 | R | 97.3 | Very high | 94.6 | Very high | 13 Ų | 13 | 21.4 Ų | 21.4 | 5% | 0.049 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.7 | -47.7 | 173.9 | -74.6 | -174.2 | 174.6 | -166.7 | 2 | 111.7 | I524 L527 R598 F599 I600 I604 A605 M606 G719 E722 I723 | I524-R602 HydrophobicContact CG2-CB 4.01Å; I524-R602 PolarHBondContact O-NH1 3.43Å; L527-R602 PolarHBondContact O-NH1 3.32Å; R598-R602 PolarHBondContact O-N 2.79Å; F599-R602 WeakPolarHBondContact O-CB 3.21Å; F599-R602 PolarHBondContact O-N 2.78Å; I600-R602 PolarHBondContact O-N 2.95Å; R602-I604 PolarHBondContact O-N 3.38Å; R602-A605 PolarHBondContact O-N 3.21Å; R602-M606 WeakPolarHBondContact O-CB 3.26Å; R602-M606 VanDerWaalsContact O-CG 3.22Å; R602-M606 WeakPolarHBondContact O-CG 3.21Å; R602-M606 PolarHBondContact O-N 2.78Å; R602-G719 WeakPolarHBondContact CA-O 3.39Å; R602-G719 VanDerWaalsContact CG-O 3.29Å; R602-G719 WeakPolarHBondContact CG-O 3.19Å; R602-G719 PolarHBondContact N-O 3.32Å; R602-E722 IonicContact CZ-OE2 3.35Å; R602-E722 IonicContact NE-OE2 2.69Å; R602-E722 PolarHBondContact NE-OE2 2.86Å; R602-E722 IonicContact NH2-OE2 3.11Å; R602-E722 PolarHBondContact NH2-OE2 2.96Å; R602-I723 HydrophobicContact CB-CD1 3.7Å; R602-I723 HydrophobicContact CG-CD1 3.89Å; R602-I723 HydrophobicContact CG-CG1 4.44Å; R602-I723 WeakPolarHBondContact O-CD1 3.2Å |
| 603 | F | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.2 | -46.8 | -179.4 | 167.2 | -110 | 0 | 0 | 0 | 112.6 | W555 F556 L559 F599 I600 G601 M606 A607 I614 | W555-F603 HydrophobicContact CH2-CD2 4.03Å; W555-F603 HydrophobicContact CH2-CE2 4.27Å; W555-F603 HydrophobicContact CZ3-CD2 4.34Å; W555-F603 HydrophobicContact CZ3-CE2 4.25Å; F556-F603 HydrophobicContact CD1-CD2 4.05Å; F556-F603 AromaticContact CD1-CE2 3.3Å; F556-F603 HydrophobicContact CD1-CE2 3.3Å; F556-F603 AromaticContact CD1-CZ 3.85Å; F556-F603 HydrophobicContact CD1-CZ 3.85Å; F556-F603 AromaticContact CE1-CD2 3.96Å; F556-F603 HydrophobicContact CE1-CD2 3.96Å; F556-F603 AromaticContact CE1-CE2 3.7Å; F556-F603 HydrophobicContact CE1-CE2 3.7Å; F556-F603 HydrophobicContact CG-CE2 4.23Å; L559-F603 HydrophobicContact CB-CE2 4.01Å; L559-F603 HydrophobicContact CB-CZ 4.13Å; L559-F603 HydrophobicContact CD2-CD2 3.53Å; L559-F603 HydrophobicContact CD2-CE2 3.53Å; L559-F603 HydrophobicContact CD2-CG 4.26Å; L559-F603 HydrophobicContact CD2-CZ 4.28Å; L559-F603 HydrophobicContact CG-CD2 4.19Å; L559-F603 HydrophobicContact CG-CE2 3.86Å; L559-F603 HydrophobicContact CG-CZ 4.11Å; F599-F603 WeakPolarHBondContact O-CB 3.27Å; F599-F603 PolarHBondContact O-N 2.83Å; I600-F603 WeakPolarHBondContact O-CB 3.3Å; I600-F603 PolarHBondContact O-N 3.24Å; G601-F603 PolarHBondContact O-N 3.41Å; F603-M606 WeakPolarHBondContact O-CB 3.32Å; F603-M606 PolarHBondContact O-N 3.3Å; F603-A607 PolarHBondContact O-N 2.99Å; F603-I614 HydrophobicContact CE1-CG2 4.13Å; F603-I614 HydrophobicContact CZ-CG2 3.84Å |
| 604 | I | 94.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.9 | -42.2 | 177.9 | -62.7 | -61 | 0 | 0 | 0 | 110.9 | I600 G601 R602 M606 A607 L608 I614 F618 F716 F720 L741 | I600-I604 HydrophobicContact CG2-CG1 4.14Å; I600-I604 VanDerWaalsContact O-CG1 3.29Å; I600-I604 WeakPolarHBondContact O-CG1 3.24Å; I600-I604 PolarHBondContact O-N 2.88Å; G601-I604 PolarHBondContact O-N 2.98Å; R602-I604 PolarHBondContact O-N 3.38Å; I604-M606 VanDerWaalsContact C-N 3.33Å; I604-M606 PolarHBondContact O-N 2.83Å; I604-A607 WeakPolarHBondContact O-CB 3.19Å; I604-A607 PolarHBondContact O-N 3.18Å; I604-L608 PolarHBondContact O-N 3.03Å; I604-L608 VanDerWaalsContact O-N 3.07Å; I604-I614 HydrophobicContact CD1-CD1 3.36Å; I604-F618 HydrophobicContact CD1-CE2 3.86Å; I604-F618 HydrophobicContact CD1-CZ 4.12Å; I604-F716 HydrophobicContact CB-CE2 4.36Å; I604-F716 HydrophobicContact CB-CZ 4.26Å; I604-F716 HydrophobicContact CG1-CE2 4.02Å; I604-F716 HydrophobicContact CG1-CZ 4.31Å; I604-F716 HydrophobicContact CG2-CZ 4.34Å; I604-F720 HydrophobicContact CG2-CD2 4.27Å; I604-F720 HydrophobicContact CG2-CE2 4.07Å; I604-L741 HydrophobicContact CG2-CD1 4.05Å; I604-L741 HydrophobicContact CG2-CD2 3.82Å |
| 605 | A | 95.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63 | -38.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G601 R602 L608 F609 F720 I723 L724 | G601-A605 WeakPolarHBondContact O-CB 3.2Å; G601-A605 PolarHBondContact O-N 3.07Å; R602-A605 PolarHBondContact O-N 3.21Å; A605-L608 PolarHBondContact O-N 3.14Å; A605-F609 WeakPolarHBondContact O-CB 3.37Å; A605-F609 PolarHBondContact O-N 2.9Å; A605-F720 HydrophobicContact CB-CD2 3.8Å; A605-F720 HydrophobicContact CB-CE2 4.14Å; A605-F720 HydrophobicContact CB-CG 4.08Å; A605-F720 WeakPolarHBondContact CB-O 3.42Å; A605-I723 HydrophobicContact CB-CB 3.85Å; A605-I723 HydrophobicContact CB-CG2 4.23Å; A605-L724 HydrophobicContact CB-CB 3.97Å |
| 606 | M | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -63 | -41.7 | 172.7 | -71.8 | 170.4 | 65.8 | 0 | 0 | 111.9 | I509 I524 L532 L536 W555 F556 R602 F603 I604 L608 F609 H610 I723 | I509-M606 HydrophobicContact CD1-CE 4.27Å; I524-M606 HydrophobicContact CD1-CE 4.31Å; I524-M606 HydrophobicContact CD1-SD 4.14Å; I524-M606 HydrophobicContact CG1-SD 4.38Å; I524-M606 HydrophobicContact CG2-SD 4.24Å; L532-M606 HydrophobicContact CB-CG 4.32Å; L532-M606 HydrophobicContact CB-SD 4.3Å; L532-M606 HydrophobicContact CD1-SD 4.22Å; L532-M606 HydrophobicContact CD2-CE 4.09Å; L532-M606 HydrophobicContact CD2-SD 3.88Å; L532-M606 HydrophobicContact CG-SD 4.36Å; L536-M606 HydrophobicContact CD1-CE 3.74Å; L536-M606 HydrophobicContact CD2-CE 3.84Å; L536-M606 HydrophobicContact CG-CE 4.47Å; W555-M606 HydrophobicContact CH2-CE 4.25Å; W555-M606 HydrophobicContact CZ3-CE 4.44Å; F556-M606 HydrophobicContact CE1-CB 4.18Å; F556-M606 HydrophobicContact CZ-CB 3.98Å; R602-M606 WeakPolarHBondContact O-CB 3.26Å; R602-M606 VanDerWaalsContact O-CG 3.22Å; R602-M606 WeakPolarHBondContact O-CG 3.21Å; R602-M606 PolarHBondContact O-N 2.78Å; F603-M606 WeakPolarHBondContact O-CB 3.32Å; F603-M606 PolarHBondContact O-N 3.3Å; I604-M606 VanDerWaalsContact C-N 3.33Å; I604-M606 PolarHBondContact O-N 2.83Å; M606-L608 PolarHBondContact O-N 3Å; M606-F609 PolarHBondContact O-N 2.99Å; M606-H610 WeakPolarHBondContact O-CB 3.45Å; M606-H610 PolarHBondContact O-CD2 2.65Å; M606-H610 PolarHBondContact O-N 3.48Å; M606-I723 HydrophobicContact CG-CD1 3.57Å; M606-I723 HydrophobicContact SD-CD1 4.24Å |
| 607 | A | 94.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -58.7 | -49.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | F556 F603 I604 G611 K612 I614 L741 | F556-A607 HydrophobicContact CD1-CB 3.75Å; F556-A607 HydrophobicContact CE1-CB 3.56Å; F556-A607 HydrophobicContact CZ-CB 4.45Å; F603-A607 PolarHBondContact O-N 2.99Å; I604-A607 WeakPolarHBondContact O-CB 3.19Å; I604-A607 PolarHBondContact O-N 3.18Å; A607-G611 PolarHBondContact O-N 3.29Å; A607-G611 VanDerWaalsContact O-N 3.09Å; A607-K612 CarbonylContact C-O 3.53Å; A607-K612 PolarHBondContact O-N 2.92Å; A607-K612 VanDerWaalsContact O-O 3.08Å; A607-I614 HydrophobicContact CB-CG2 3.87Å; A607-L741 HydrophobicContact CB-CD2 4.35Å |
| 608 | L | 92.8 | Very high | 91 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -59.4 | -52.7 | 175.2 | -72.5 | 175.1 | 0 | 0 | 0 | 111.9 | F494 R495 I604 A605 M606 H610 G611 F720 L724 V729 L737 L740 L741 | F494-L608 HydrophobicContact CE1-CB 4.43Å; F494-L608 WeakPolarHBondContact CE1-O 3.35Å; F494-L608 HydrophobicContact CZ-CB 4.02Å; R495-L608 PolarHBondContact NH1-O 3.22Å; I604-L608 PolarHBondContact O-N 3.03Å; I604-L608 VanDerWaalsContact O-N 3.07Å; A605-L608 PolarHBondContact O-N 3.14Å; M606-L608 PolarHBondContact O-N 3Å; L608-H610 PolarHBondContact O-N 2.89Å; L608-G611 PolarHBondContact O-N 3.11Å; L608-F720 HydrophobicContact CD1-CE2 3.64Å; L608-F720 HydrophobicContact CD1-CZ 3.64Å; L608-L724 HydrophobicContact CB-CD2 3.72Å; L608-L724 HydrophobicContact CD1-CD2 3.93Å; L608-L724 HydrophobicContact CG-CD2 4.49Å; L608-V729 HydrophobicContact CD1-CG1 4.46Å; L608-L737 HydrophobicContact CD1-CD1 4.08Å; L608-L737 HydrophobicContact CD2-CD1 4.24Å; L608-L740 HydrophobicContact CD2-CB 4.22Å; L608-L740 HydrophobicContact CD2-CD2 3.64Å; L608-L740 HydrophobicContact CD2-CG 3.57Å; L608-L741 HydrophobicContact CD1-CD2 4.29Å; L608-L741 HydrophobicContact CD2-CD2 3.64Å; L608-L741 HydrophobicContact CD2-CG 3.72Å; L608-L741 HydrophobicContact CG-CD2 3.6Å; L608-L741 HydrophobicContact CG-CG 4.13Å |
| 609 | F | 93.6 | Very high | 90.2 | Very high | 12 Ų | 12 | 7.3 Ų | 7.3 | 5% | 0.053 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -59.2 | -48.2 | -175.7 | -172.1 | -86.8 | 0 | 0 | 0 | 112.4 | C498 L501 A502 R533 A605 M606 G611 L724 | C498-F609 HydrophobicContact CB-CD2 4.21Å; C498-F609 HydrophobicContact CB-CE2 4.23Å; C498-F609 WeakPolarHBondContact O-CZ 3.28Å; L501-F609 HydrophobicContact CB-CE2 3.91Å; L501-F609 HydrophobicContact CB-CZ 4.23Å; A502-F609 HydrophobicContact CB-CE1 4.46Å; A502-F609 HydrophobicContact CB-CZ 4.31Å; R533-F609 HydrophobicContact CB-CE1 3.78Å; R533-F609 HydrophobicContact CB-CE2 4.31Å; R533-F609 HydrophobicContact CB-CZ 3.64Å; R533-F609 HydrophobicContact CG-CD2 4.45Å; R533-F609 HydrophobicContact CG-CE1 4.17Å; R533-F609 HydrophobicContact CG-CE2 3.95Å; R533-F609 HydrophobicContact CG-CZ 3.8Å; R533-F609 WeakPolarHBondContact O-CE1 3.4Å; A605-F609 WeakPolarHBondContact O-CB 3.37Å; A605-F609 PolarHBondContact O-N 2.9Å; M606-F609 PolarHBondContact O-N 2.99Å; F609-G611 VanDerWaalsContact C-N 3.27Å; F609-G611 PolarHBondContact O-N 3.08Å; F609-L724 HydrophobicContact CD2-CD1 4.38Å |
| 610 | H | 90.3 | Very high | 89.2 | Confident | 44 Ų | 44 | 9.3 Ų | 9.3 | 20% | 0.204 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -84 | 0.2 | -177.7 | -67.8 | -70.7 | 0 | 0 | 0 | 114 | L532 R534 L536 M606 L608 K612 | L532-H610 PolarHBondContact O-NE2 3.06Å; R534-H610 PolarHBondContact O-CE1 3.48Å; L536-H610 HydrophobicContact CD1-CB 4.46Å; L536-H610 VanDerWaalsContact CD1-CD2 3.48Å; L536-H610 WeakPolarHBondContact CD1-CD2 3.36Å; M606-H610 WeakPolarHBondContact O-CB 3.45Å; M606-H610 PolarHBondContact O-CD2 2.65Å; M606-H610 PolarHBondContact O-N 3.48Å; L608-H610 PolarHBondContact O-N 2.89Å; H610-K612 VanDerWaalsContact C-N 3.31Å; H610-K612 HydrophobicContact CB-CG 4.06Å; H610-K612 PolarHBondContact O-N 3.26Å |
| 611 | G | 88.3 | Confident | 88.6 | Confident | 4 Ų | 4 | 9.4 Ų | 9.4 | 4% | 0.041 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 38.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | N381 R495 A607 L608 F609 | N381-G611 PolarHBondContact ND2-O 3.1Å; R495-G611 VanDerWaalsContact NH1-N 3.19Å; A607-G611 PolarHBondContact O-N 3.29Å; A607-G611 VanDerWaalsContact O-N 3.09Å; L608-G611 PolarHBondContact O-N 3.11Å; F609-G611 VanDerWaalsContact C-N 3.27Å; F609-G611 PolarHBondContact O-N 3.08Å |
| 612 | K | 89.1 | Confident | 88.2 | Confident | 27 Ų | 27 | 9.8 Ų | 9.8 | 12% | 0.117 | 5% | 0.05 | C | C | . | . | trans | -101.3 | 137.2 | 174.9 | -58.9 | -63 | -177.1 | 176.4 | 0 | 109 | G549 F556 A607 H610 | G549-K612 PolarHBondContact O-NZ 3.24Å; F556-K612 HydrophobicContact CB-CB 4.32Å; F556-K612 HydrophobicContact CD1-CB 4.24Å; F556-K612 HydrophobicContact CD2-CB 3.39Å; F556-K612 HydrophobicContact CD2-CD 4.4Å; F556-K612 HydrophobicContact CD2-CG 3.53Å; F556-K612 HydrophobicContact CE1-CB 4.45Å; F556-K612 HydrophobicContact CE2-CB 3.65Å; F556-K612 HydrophobicContact CE2-CG 3.49Å; F556-K612 VanDerWaalsContact CE2-CG 3.49Å; F556-K612 HydrophobicContact CG-CB 3.73Å; F556-K612 HydrophobicContact CG-CG 4.37Å; F556-K612 HydrophobicContact CZ-CB 4.17Å; F556-K612 HydrophobicContact CZ-CG 4.28Å; A607-K612 CarbonylContact C-O 3.53Å; A607-K612 PolarHBondContact O-N 2.92Å; A607-K612 VanDerWaalsContact O-O 3.08Å; H610-K612 VanDerWaalsContact C-N 3.31Å; H610-K612 HydrophobicContact CB-CG 4.06Å; H610-K612 PolarHBondContact O-N 3.26Å | ||
| 613 | I | 90.1 | Very high | 87.7 | Confident | 13 Ų | 13 | 9.2 Ų | 9.2 | 7% | 0.067 | 5% | 0.048 | C | C | . | . | trans | -84.9 | 151.1 | 177.8 | -63.4 | 163.9 | 0 | 0 | 0 | 107.9 | F373 R376 I378 L741 C742 | F373-I613 HydrophobicContact CE2-CB 4.23Å; F373-I613 HydrophobicContact CE2-CG2 3.58Å; F373-I613 HydrophobicContact CZ-CB 3.93Å; F373-I613 HydrophobicContact CZ-CG2 3.81Å; F373-I613 WeakPolarHBondContact CZ-O 3.23Å; R376-I613 HydrophobicContact CB-CD1 4.09Å; I378-I613 HydrophobicContact CD1-CD1 4.27Å; I378-I613 HydrophobicContact CD1-CG1 3.65Å; I378-I613 HydrophobicContact CG1-CD1 4.11Å; I378-I613 HydrophobicContact CG1-CG1 4.04Å; I613-L741 CarbonylContact C-O 3.58Å; I613-L741 VanDerWaalsContact CA-O 3.31Å; I613-L741 WeakPolarHBondContact CA-O 3.37Å; I613-L741 WeakPolarHBondContact CG2-O 3.49Å; I613-C742 WeakPolarHBondContact CG2-O 3.41Å | ||
| 614 | I | 90.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 5% | 0.054 | C | C | . | . | trans | -120 | 161.9 | 168.9 | 60.9 | 172.9 | 0 | 0 | 0 | 109.8 | F556 F603 I604 A607 F618 L741 | F556-I614 HydrophobicContact CB-CG2 4.42Å; F556-I614 HydrophobicContact CD1-CG2 4.13Å; F603-I614 HydrophobicContact CE1-CG2 4.13Å; F603-I614 HydrophobicContact CZ-CG2 3.84Å; I604-I614 HydrophobicContact CD1-CD1 3.36Å; A607-I614 HydrophobicContact CB-CG2 3.87Å; I614-F618 HydrophobicContact CD1-CE2 4.29Å; I614-L741 HydrophobicContact CD1-CB 4.38Å; I614-L741 HydrophobicContact CD1-CD2 4.08Å; I614-L741 HydrophobicContact CG1-CB 4.26Å; I614-L741 HydrophobicContact CG1-CD2 4.4Å; I614-L741 PolarHBondContact N-O 2.96Å | ||
| 615 | D | 83.4 | Confident | 86.7 | Confident | 15 Ų | 15 | 12.7 Ų | 12.7 | 8% | 0.08 | 6% | 0.061 | C | C | . | . | S | Bend | trans | -110.6 | 22.2 | 178.7 | -162.1 | 30.7 | 0 | 0 | 0 | 112.8 | F373 R376 F557 S560 H561 R795 | F373-D615 HydrophobicContact CD2-CB 3.91Å; F373-D615 HydrophobicContact CE2-CB 3.87Å; R376-D615 IonicContact CZ-OD1 2.71Å; R376-D615 VanDerWaalsContact CZ-OD1 3.28Å; R376-D615 IonicContact NH1-OD1 3.15Å; R376-D615 PolarHBondContact NH1-OD1 3.48Å; R376-D615 IonicContact NH2-OD1 2.75Å; R376-D615 PolarHBondContact NH2-OD1 2.63Å; F557-D615 HydrophobicContact CD2-CB 3.77Å; F557-D615 HydrophobicContact CE2-CB 3.82Å; F557-D615 WeakPolarHBondContact CE2-OD2 3.28Å; S560-D615 PolarHBondContact OG-N 3.44Å; S560-D615 VanDerWaalsContact OG-N 3.09Å; H561-D615 IonicContact CE1-OD2 4Å; H561-D615 PolarHBondContact CE1-OD2 3Å; H561-D615 VanDerWaalsContact CE1-OD2 3.28Å; H561-D615 IonicContact NE2-OD2 2.95Å; D615-R795 PolarHBondContact O-NH1 2.8Å; D615-R795 IonicContact OD1-NH1 3.29Å; D615-R795 PolarHBondContact OD1-NH1 2.88Å |
| 616 | T | 78.5 | Confident | 86.2 | Confident | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.006 | 6% | 0.062 | C | C | . | . | P | Polyproline II helix | trans | -95.5 | 123.3 | 167.9 | -46.6 | 0 | 0 | 0 | 0 | 109.2 | S560 L564 L581 F618 C742 | S560-T616 VanDerWaalsContact CB-OG1 3.26Å; S560-T616 WeakPolarHBondContact CB-OG1 3.44Å; S560-T616 PolarHBondContact O-OG1 3Å; L564-T616 HydrophobicContact CD1-CG2 3.91Å; L564-T616 HydrophobicContact CD2-CG2 3.87Å; L564-T616 HydrophobicContact CG-CG2 4.17Å; L581-T616 HydrophobicContact CD1-CG2 4.34Å; T616-F618 HydrophobicContact CG2-CD1 4.08Å; T616-F618 HydrophobicContact CG2-CD2 4.3Å; T616-F618 HydrophobicContact CG2-CE1 3.6Å; T616-F618 HydrophobicContact CG2-CE2 3.85Å; T616-F618 HydrophobicContact CG2-CG 4.41Å; T616-F618 HydrophobicContact CG2-CZ 3.48Å; T616-F618 VanDerWaalsContact CG2-CZ 3.48Å; T616-C742 PolarHBondContact O-SG 3Å |
| 617 | S | 73.8 | Confident | 85.7 | Confident | 14 Ų | 14 | 13 Ų | 13 | 10% | 0.098 | 6% | 0.063 | C | C | . | . | P | Polyproline II helix | trans | -101.7 | 125.3 | 163.8 | 175.1 | 0 | 0 | 0 | 0 | 108.5 | E738 R795 | S617-E738 PolarHBondContact OG-OE1 3.04Å; S617-E738 VanDerWaalsContact OG-OE1 3.06Å; S617-R795 VanDerWaalsContact CB-CZ 3.42Å |
| 618 | F | 81.9 | Confident | 85.1 | Confident | 5 Ų | 5 | 16.9 Ų | 16.9 | 2% | 0.022 | 9% | 0.09 | C | C | . | . | B | Isolated β-bridge | trans | -92.7 | 163.1 | 172.7 | -58.7 | -77.4 | 0 | 0 | 0 | 109.3 | F571 I604 I614 T616 F622 Y623 | F571-F618 HydrophobicContact CE1-CD1 4.35Å; F571-F618 AromaticContact CE1-CE1 3.95Å; F571-F618 HydrophobicContact CE1-CE1 3.95Å; F571-F618 AromaticContact CZ-CE1 3.97Å; F571-F618 HydrophobicContact CZ-CE1 3.97Å; I604-F618 HydrophobicContact CD1-CE2 3.86Å; I604-F618 HydrophobicContact CD1-CZ 4.12Å; I614-F618 HydrophobicContact CD1-CE2 4.29Å; T616-F618 HydrophobicContact CG2-CD1 4.08Å; T616-F618 HydrophobicContact CG2-CD2 4.3Å; T616-F618 HydrophobicContact CG2-CE1 3.6Å; T616-F618 HydrophobicContact CG2-CE2 3.85Å; T616-F618 HydrophobicContact CG2-CG 4.41Å; T616-F618 HydrophobicContact CG2-CZ 3.48Å; T616-F618 VanDerWaalsContact CG2-CZ 3.48Å; F618-F622 HydrophobicContact CB-CB 3.88Å; F618-F622 HydrophobicContact CB-CD1 3.32Å; F618-F622 HydrophobicContact CB-CE1 4.03Å; F618-F622 HydrophobicContact CB-CG 3.81Å; F618-F622 AromaticContact CD1-CD1 3.89Å; F618-F622 HydrophobicContact CD1-CD1 3.89Å; F618-F622 AromaticContact CD1-CE1 3.78Å; F618-F622 HydrophobicContact CD1-CE1 3.78Å; F618-F622 HydrophobicContact CD1-CG 4.39Å; F618-F622 HydrophobicContact CD1-CZ 4.24Å; F618-F622 AromaticContact CD2-CD1 3.85Å; F618-F622 HydrophobicContact CD2-CD1 3.85Å; F618-F622 AromaticContact CD2-CE1 3.71Å; F618-F622 HydrophobicContact CD2-CE1 3.71Å; F618-F622 HydrophobicContact CE1-CE1 4.13Å; F618-F622 HydrophobicContact CE1-CZ 4.36Å; F618-F622 HydrophobicContact CE2-CE1 4.07Å; F618-F622 AromaticContact CG-CD1 3.41Å; F618-F622 HydrophobicContact CG-CD1 3.41Å; F618-F622 VanDerWaalsContact CG-CD1 3.41Å; F618-F622 AromaticContact CG-CE1 3.55Å; F618-F622 HydrophobicContact CG-CE1 3.55Å; F618-F622 HydrophobicContact CG-CG 4.18Å; F618-F622 HydrophobicContact CG-CZ 4.45Å; F618-F622 HydrophobicContact CZ-CE1 4.26Å; F618-Y623 HydrophobicContact CB-CE1 4.33Å; F618-Y623 HydrophobicContact CB-CE2 4.06Å; F618-Y623 HydrophobicContact CD2-CE1 4Å; F618-Y623 AromaticContact CD2-CZ 4Å; F618-Y623 PolarHBondContact N-OH 3.08Å; F618-Y623 VanDerWaalsContact N-OH 3.1Å; F618-Y623 WeakPolarHBondContact O-CE2 3.24Å |
| 619 | S | 79.1 | Confident | 84.7 | Confident | 6 Ų | 6 | 19.1 Ų | 19.1 | 4% | 0.042 | 10% | 0.1 | C | C | . | . | P | Polyproline II helix | trans | -63.2 | 152.3 | 174 | 67 | 0 | 0 | 0 | 0 | 112.2 | L581 P621 F622 Y623 I639 | L581-S619 PolarHBondContact O-N 3.03Å; S619-P621 VanDerWaalsContact C-N 3.34Å; S619-F622 WeakPolarHBondContact O-CA 3.34Å; S619-F622 VanDerWaalsContact O-CB 3.24Å; S619-F622 WeakPolarHBondContact O-CB 3.31Å; S619-F622 PolarHBondContact O-N 3.48Å; S619-Y623 PolarHBondContact O-N 3.12Å; S619-I639 VanDerWaalsContact CB-CD1 3.47Å |
| 620 | L | 78.4 | Confident | 84.1 | Confident | 41 Ų | 41 | 24 Ų | 24 | 22% | 0.215 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -52.3 | -43.7 | 175.1 | -170.1 | 73.2 | 0 | 0 | 0 | 113.4 | F622 Y623 K624 A734 K735 | L620-F622 PolarHBondContact O-N 2.69Å; L620-Y623 PolarHBondContact O-N 3.48Å; L620-K624 PolarHBondContact O-N 2.93Å; L620-A734 HydrophobicContact CD1-CB 3.55Å; L620-A734 HydrophobicContact CG-CB 4.3Å; L620-K735 HydrophobicContact CD1-CG 4.07Å |
| 621 | P | 83 | Confident | 83.9 | Confident | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.013 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -56.9 | -33.8 | 173.2 | -4.4 | -1.6 | 0 | 0 | 0 | 113.8 | S619 K624 R625 V631 D635 I639 L705 | S619-P621 VanDerWaalsContact C-N 3.34Å; P621-K624 PolarHBondContact O-N 3.24Å; P621-R625 WeakPolarHBondContact O-CG 3.46Å; P621-R625 PolarHBondContact O-N 3.09Å; P621-V631 HydrophobicContact CB-CG1 3.96Å; P621-D635 HydrophobicContact CB-CB 4.4Å; P621-D635 HydrophobicContact CG-CB 4.03Å; P621-I639 HydrophobicContact CG-CD1 4.01Å; P621-I639 HydrophobicContact CG-CG1 3.69Å; P621-L705 HydrophobicContact CB-CD2 4.36Å; P621-L705 HydrophobicContact CG-CD2 4.12Å |
| 622 | F | 85.8 | Confident | 83.7 | Confident | 8 Ų | 8 | 23.9 Ų | 23.9 | 4% | 0.035 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.3 | -46 | 176.1 | -173.2 | -96.2 | 0 | 0 | 0 | 111.4 | I583 F618 S619 L620 K624 R625 I626 F716 | I583-F622 HydrophobicContact CD1-CD2 4.36Å; I583-F622 HydrophobicContact CD1-CE2 4Å; I583-F622 HydrophobicContact CG1-CD2 4.35Å; I583-F622 HydrophobicContact CG1-CE2 4.1Å; F618-F622 HydrophobicContact CB-CB 3.88Å; F618-F622 HydrophobicContact CB-CD1 3.32Å; F618-F622 HydrophobicContact CB-CE1 4.03Å; F618-F622 HydrophobicContact CB-CG 3.81Å; F618-F622 AromaticContact CD1-CD1 3.89Å; F618-F622 HydrophobicContact CD1-CD1 3.89Å; F618-F622 AromaticContact CD1-CE1 3.78Å; F618-F622 HydrophobicContact CD1-CE1 3.78Å; F618-F622 HydrophobicContact CD1-CG 4.39Å; F618-F622 HydrophobicContact CD1-CZ 4.24Å; F618-F622 AromaticContact CD2-CD1 3.85Å; F618-F622 HydrophobicContact CD2-CD1 3.85Å; F618-F622 AromaticContact CD2-CE1 3.71Å; F618-F622 HydrophobicContact CD2-CE1 3.71Å; F618-F622 HydrophobicContact CE1-CE1 4.13Å; F618-F622 HydrophobicContact CE1-CZ 4.36Å; F618-F622 HydrophobicContact CE2-CE1 4.07Å; F618-F622 AromaticContact CG-CD1 3.41Å; F618-F622 HydrophobicContact CG-CD1 3.41Å; F618-F622 VanDerWaalsContact CG-CD1 3.41Å; F618-F622 AromaticContact CG-CE1 3.55Å; F618-F622 HydrophobicContact CG-CE1 3.55Å; F618-F622 HydrophobicContact CG-CG 4.18Å; F618-F622 HydrophobicContact CG-CZ 4.45Å; F618-F622 HydrophobicContact CZ-CE1 4.26Å; S619-F622 WeakPolarHBondContact O-CA 3.34Å; S619-F622 VanDerWaalsContact O-CB 3.24Å; S619-F622 WeakPolarHBondContact O-CB 3.31Å; S619-F622 PolarHBondContact O-N 3.48Å; L620-F622 PolarHBondContact O-N 2.69Å; F622-K624 PolarHBondContact O-N 3.18Å; F622-R625 WeakPolarHBondContact O-CB 3.26Å; F622-R625 PolarHBondContact O-N 3.37Å; F622-I626 HydrophobicContact CD1-CD1 3.9Å; F622-I626 HydrophobicContact CD1-CG1 4.43Å; F622-I626 HydrophobicContact CE1-CD1 3.65Å; F622-I626 HydrophobicContact CE1-CG1 4.33Å; F622-I626 WeakPolarHBondContact O-CG1 3.36Å; F622-I626 PolarHBondContact O-N 3.01Å; F622-F716 HydrophobicContact CE1-CE2 4.28Å; F622-F716 HydrophobicContact CE1-CZ 4.13Å; F622-F716 HydrophobicContact CZ-CD2 4.05Å; F622-F716 HydrophobicContact CZ-CE1 4.31Å; F622-F716 AromaticContact CZ-CE2 3.73Å; F622-F716 HydrophobicContact CZ-CE2 3.73Å; F622-F716 HydrophobicContact CZ-CG 4.45Å; F622-F716 AromaticContact CZ-CZ 3.89Å; F622-F716 HydrophobicContact CZ-CZ 3.89Å |
| 623 | Y | 86.9 | Confident | 83.5 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.7 | -38.5 | 174.9 | -65.1 | -60.8 | 0 | 0 | 0 | 112.8 | F618 S619 L620 R625 I626 L627 L737 E738 L741 | F618-Y623 HydrophobicContact CB-CE1 4.33Å; F618-Y623 HydrophobicContact CB-CE2 4.06Å; F618-Y623 HydrophobicContact CD2-CE1 4Å; F618-Y623 AromaticContact CD2-CZ 4Å; F618-Y623 PolarHBondContact N-OH 3.08Å; F618-Y623 VanDerWaalsContact N-OH 3.1Å; F618-Y623 WeakPolarHBondContact O-CE2 3.24Å; S619-Y623 PolarHBondContact O-N 3.12Å; L620-Y623 PolarHBondContact O-N 3.48Å; Y623-R625 VanDerWaalsContact C-N 3.31Å; Y623-R625 PolarHBondContact O-N 3.44Å; Y623-I626 HydrophobicContact CD1-CD1 4.28Å; Y623-I626 WeakPolarHBondContact O-CB 3.35Å; Y623-I626 PolarHBondContact O-N 3.46Å; Y623-L627 WeakPolarHBondContact O-CG 3.17Å; Y623-L627 PolarHBondContact O-N 2.7Å; Y623-L627 VanDerWaalsContact O-N 3.16Å; Y623-L737 HydrophobicContact CD1-CD2 4.02Å; Y623-L737 HydrophobicContact CD1-CG 4.12Å; Y623-E738 HydrophobicContact CD2-CB 4.09Å; Y623-E738 HydrophobicContact CD2-CG 4.5Å; Y623-E738 HydrophobicContact CE2-CB 3.72Å; Y623-E738 HydrophobicContact CE2-CG 3.69Å; Y623-L741 HydrophobicContact CD1-CD1 4.27Å; Y623-L741 HydrophobicContact CE1-CD1 3.63Å |
| 624 | K | 85.9 | Confident | 83.1 | Confident | 33 Ų | 33 | 28.9 Ų | 28.9 | 14% | 0.143 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.4 | -43.5 | 173.7 | -78 | -174.6 | 169.8 | -175 | 0 | 111.6 | L620 P621 F622 I626 L627 S628 K629 V631 D635 A734 | L620-K624 PolarHBondContact O-N 2.93Å; P621-K624 PolarHBondContact O-N 3.24Å; F622-K624 PolarHBondContact O-N 3.18Å; K624-I626 VanDerWaalsContact C-N 3.31Å; K624-I626 PolarHBondContact O-N 2.86Å; K624-L627 CarbonylContact O-C 3.48Å; K624-L627 PolarHBondContact O-N 3.24Å; K624-L627 VanDerWaalsContact O-N 3.15Å; K624-S628 PolarHBondContact O-N 3.09Å; K624-K629 HydrophobicContact CB-CB 4.21Å; K624-K629 HydrophobicContact CG-CB 4.41Å; K624-K629 PolarHBondContact O-N 3.21Å; K624-V631 HydrophobicContact CB-CG1 4.03Å; K624-V631 HydrophobicContact CD-CG1 4.41Å; K624-D635 VanDerWaalsContact CE-OD1 3.3Å; K624-D635 WeakPolarHBondContact CE-OD1 3.43Å; K624-D635 IonicContact NZ-OD1 3.23Å; K624-D635 PolarHBondContact NZ-OD1 2.91Å; K624-D635 IonicContact NZ-OD2 2.77Å; K624-D635 PolarHBondContact NZ-OD2 3.27Å; K624-A734 HydrophobicContact CG-CB 3.68Å |
| 625 | R | 85.1 | Confident | 82.8 | Confident | 39 Ų | 39 | 29.2 Ų | 29.2 | 15% | 0.147 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57 | -46.4 | 171.3 | -73.1 | 174.3 | 179.5 | 146.4 | 8.7 | 110.9 | P621 F622 Y623 L627 S628 V631 L705 S706 F717 | P621-R625 WeakPolarHBondContact O-CG 3.46Å; P621-R625 PolarHBondContact O-N 3.09Å; F622-R625 WeakPolarHBondContact O-CB 3.26Å; F622-R625 PolarHBondContact O-N 3.37Å; Y623-R625 VanDerWaalsContact C-N 3.31Å; Y623-R625 PolarHBondContact O-N 3.44Å; R625-L627 PolarHBondContact O-N 3Å; R625-L627 VanDerWaalsContact O-N 3.08Å; R625-S628 PolarHBondContact O-N 2.89Å; R625-V631 HydrophobicContact CG-CG1 4.46Å; R625-L705 PolarHBondContact NH2-O 3.41Å; R625-S706 PolarHBondContact NH2-OG 3.19Å; R625-F717 HydrophobicContact CB-CE2 4.3Å; R625-F717 HydrophobicContact CB-CZ 4.09Å; R625-F717 WeakPolarHBondContact O-CZ 3.44Å |
| 626 | I | 85.3 | Confident | 82.8 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -53.8 | -34.9 | -179.7 | -64.8 | 177 | 0 | 0 | 0 | 111.7 | F622 Y623 K624 F716 F717 F720 Q726 L737 | F622-I626 HydrophobicContact CD1-CD1 3.9Å; F622-I626 HydrophobicContact CD1-CG1 4.43Å; F622-I626 HydrophobicContact CE1-CD1 3.65Å; F622-I626 HydrophobicContact CE1-CG1 4.33Å; F622-I626 WeakPolarHBondContact O-CG1 3.36Å; F622-I626 PolarHBondContact O-N 3.01Å; Y623-I626 HydrophobicContact CD1-CD1 4.28Å; Y623-I626 WeakPolarHBondContact O-CB 3.35Å; Y623-I626 PolarHBondContact O-N 3.46Å; K624-I626 VanDerWaalsContact C-N 3.31Å; K624-I626 PolarHBondContact O-N 2.86Å; I626-F716 HydrophobicContact CD1-CE1 3.96Å; I626-F716 HydrophobicContact CD1-CZ 3.85Å; I626-F716 HydrophobicContact CG1-CE1 3.8Å; I626-F716 HydrophobicContact CG1-CZ 4.22Å; I626-F717 HydrophobicContact CB-CE1 4.44Å; I626-F717 HydrophobicContact CG1-CE1 4.5Å; I626-F717 HydrophobicContact CG1-CZ 4.47Å; I626-F720 HydrophobicContact CG2-CE1 4.46Å; I626-F720 HydrophobicContact CG2-CE2 4.15Å; I626-F720 HydrophobicContact CG2-CZ 4.02Å; I626-Q726 PolarHBondContact O-NE2 2.9Å; I626-L737 HydrophobicContact CB-CD2 3.78Å; I626-L737 HydrophobicContact CD1-CD2 4.39Å; I626-L737 HydrophobicContact CG2-CD2 3.61Å |
| 627 | L | 85 | Confident | 82.9 | Confident | 7 Ų | 7 | 29.6 Ų | 29.6 | 4% | 0.037 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 3.2 | -178.9 | -60.5 | 168.4 | 0 | 0 | 0 | 113.7 | Y623 K624 R625 K629 Q726 V729 F732 A734 L737 | Y623-L627 WeakPolarHBondContact O-CG 3.17Å; Y623-L627 PolarHBondContact O-N 2.7Å; Y623-L627 VanDerWaalsContact O-N 3.16Å; K624-L627 CarbonylContact O-C 3.48Å; K624-L627 PolarHBondContact O-N 3.24Å; K624-L627 VanDerWaalsContact O-N 3.15Å; R625-L627 PolarHBondContact O-N 3Å; R625-L627 VanDerWaalsContact O-N 3.08Å; L627-K629 HydrophobicContact CB-CD 4.26Å; L627-K629 HydrophobicContact CB-CG 3.85Å; L627-K629 HydrophobicContact CD1-CD 4.39Å; L627-K629 PolarHBondContact O-N 3.07Å; L627-Q726 VanDerWaalsContact C-NE2 3.29Å; L627-V729 HydrophobicContact CD2-CB 4.3Å; L627-V729 HydrophobicContact CD2-CG2 4.42Å; L627-V729 WeakPolarHBondContact CD2-O 3.38Å; L627-F732 WeakPolarHBondContact CD1-O 3.49Å; L627-F732 HydrophobicContact CD2-CB 4.35Å; L627-A734 HydrophobicContact CD1-CB 4.2Å; L627-L737 HydrophobicContact CD1-CB 4.3Å; L627-L737 HydrophobicContact CD1-CD2 4.21Å; L627-L737 HydrophobicContact CD2-CD2 3.89Å; L627-L737 HydrophobicContact CG-CD2 3.82Å |
| 628 | S | 81.8 | Confident | 82.9 | Confident | 80 Ų | 80 | 30.1 Ų | 30.1 | 56% | 0.559 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 31.3 | -170.1 | -73.9 | 0 | 0 | 0 | 0 | 113.1 | K624 R625 Q726 | K624-S628 PolarHBondContact O-N 3.09Å; R625-S628 PolarHBondContact O-N 2.89Å; S628-Q726 VanDerWaalsContact CB-NE2 3.28Å; S628-Q726 PolarHBondContact OG-NE2 3.33Å; S628-Q726 PolarHBondContact OG-OE1 3.12Å |
| 629 | K | 83.5 | Confident | 82.8 | Confident | 48 Ų | 48 | 30.1 Ų | 30.1 | 21% | 0.209 | 17% | 0.168 | C | C | . | . | P | Polyproline II helix | trans | -88.1 | 144.2 | 175.5 | -66.6 | -167.4 | -176.8 | -168.6 | 0 | 110.8 | K624 L627 V631 F732 E857 | K624-K629 HydrophobicContact CB-CB 4.21Å; K624-K629 HydrophobicContact CG-CB 4.41Å; K624-K629 PolarHBondContact O-N 3.21Å; L627-K629 HydrophobicContact CB-CD 4.26Å; L627-K629 HydrophobicContact CB-CG 3.85Å; L627-K629 HydrophobicContact CD1-CD 4.39Å; L627-K629 PolarHBondContact O-N 3.07Å; K629-V631 PolarHBondContact O-N 3.27Å; K629-F732 WeakPolarHBondContact CE-O 3.4Å; K629-F732 PolarHBondContact NZ-O 3.44Å; K629-E857 WeakPolarHBondContact CD-OE1 2.95Å; K629-E857 IonicContact NZ-OE1 3.73Å; K629-E857 PolarHBondContact NZ-OE1 2.79Å; K629-E857 IonicContact NZ-OE2 3.23Å; K629-E857 PolarHBondContact NZ-OE2 3.49Å |
| 630 | P | 81.3 | Confident | 82.8 | Confident | 113 Ų | 113 | 31.4 Ų | 31.4 | 73% | 0.734 | 18% | 0.175 | S | C | * | . | P | Polyproline II helix | trans | -63.8 | 137.5 | 177.9 | 26.7 | -34.1 | 0 | 0 | 0 | 110.8 | ||
| 631 | V | 85.1 | Confident | 82.9 | Confident | 23 Ų | 23 | 31 Ų | 31 | 14% | 0.139 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -93.5 | 145.3 | 169.4 | -62.8 | 0 | 0 | 0 | 0 | 109.2 | P621 K624 R625 K629 D635 L705 | P621-V631 HydrophobicContact CB-CG1 3.96Å; K624-V631 HydrophobicContact CB-CG1 4.03Å; K624-V631 HydrophobicContact CD-CG1 4.41Å; R625-V631 HydrophobicContact CG-CG1 4.46Å; K629-V631 PolarHBondContact O-N 3.27Å; V631-D635 WeakPolarHBondContact CA-OD2 3.41Å; V631-L705 HydrophobicContact CB-CD1 3.77Å; V631-L705 HydrophobicContact CG2-CB 4.1Å; V631-L705 HydrophobicContact CG2-CD1 3.84Å |
| 632 | G | 84.4 | Confident | 82.8 | Confident | 23 Ų | 23 | 36.1 Ų | 36.1 | 24% | 0.237 | 20% | 0.198 | C | C | . | . | trans | -146.7 | -171.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | K634 D635 | G632-K634 VanDerWaalsContact C-N 3.29Å; G632-K634 PolarHBondContact O-N 3.48Å; G632-D635 PolarHBondContact N-OD2 2.66Å; G632-D635 WeakPolarHBondContact O-CB 3.4Å; G632-D635 PolarHBondContact O-N 2.91Å | ||
| 633 | L | 85.7 | Confident | 82.7 | Confident | 29 Ų | 29 | 36.5 Ų | 36.5 | 15% | 0.152 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -52.3 | -42.8 | -174.7 | 179.5 | 62.6 | 0 | 0 | 0 | 113.3 | D635 L636 Y644 L647 I648 K651 I697 A701 | L633-D635 VanDerWaalsContact C-N 3.3Å; L633-D635 PolarHBondContact O-N 3.23Å; L633-L636 VanDerWaalsContact O-CB 3.22Å; L633-L636 WeakPolarHBondContact O-CB 3.41Å; L633-L636 PolarHBondContact O-N 2.73Å; L633-Y644 HydrophobicContact CD1-CD2 3.97Å; L633-Y644 HydrophobicContact CD1-CE2 4.25Å; L633-Y644 HydrophobicContact CG-CD2 4.19Å; L633-Y644 HydrophobicContact CG-CE2 3.98Å; L633-Y644 WeakPolarHBondContact O-CD2 3.5Å; L633-Y644 WeakPolarHBondContact O-CE2 3.27Å; L633-L647 HydrophobicContact CD1-CB 3.66Å; L633-L647 HydrophobicContact CD1-CD1 3.69Å; L633-L647 HydrophobicContact CD1-CG 4.35Å; L633-I648 HydrophobicContact CD2-CD1 3.75Å; L633-I648 HydrophobicContact CG-CD1 4.36Å; L633-K651 HydrophobicContact CD2-CD 4.46Å; L633-I697 HydrophobicContact CD1-CG2 3.96Å; L633-I697 HydrophobicContact CD2-CG2 3.74Å; L633-I697 HydrophobicContact CG-CG2 4.3Å; L633-A701 HydrophobicContact CB-CB 4.4Å; L633-A701 HydrophobicContact CD1-CB 4.48Å |
| 634 | K | 81.8 | Confident | 82.7 | Confident | 117 Ų | 117 | 37.9 Ų | 37.9 | 51% | 0.509 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.8 | -31.1 | -179.9 | -72.2 | -168.9 | 165.1 | -171 | 0 | 113.7 | G632 L636 E637 F859 | G632-K634 VanDerWaalsContact C-N 3.29Å; G632-K634 PolarHBondContact O-N 3.48Å; K634-L636 PolarHBondContact O-N 2.92Å; K634-E637 WeakPolarHBondContact O-CB 3.31Å; K634-E637 PolarHBondContact O-N 2.7Å; K634-F859 WeakPolarHBondContact CE-O 3.3Å; K634-F859 VanDerWaalsContact NZ-CB 3.28Å; K634-F859 PolarHBondContact NZ-O 3.37Å |
| 635 | D | 82.6 | Confident | 82.6 | Confident | 7 Ų | 7 | 40.7 Ų | 40.7 | 4% | 0.037 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.7 | -25.7 | 178.8 | -57.8 | -53.8 | 0 | 0 | 0 | 111.1 | P621 K624 V631 G632 L633 E637 S638 L705 | P621-D635 HydrophobicContact CB-CB 4.4Å; P621-D635 HydrophobicContact CG-CB 4.03Å; K624-D635 VanDerWaalsContact CE-OD1 3.3Å; K624-D635 WeakPolarHBondContact CE-OD1 3.43Å; K624-D635 IonicContact NZ-OD1 3.23Å; K624-D635 PolarHBondContact NZ-OD1 2.91Å; K624-D635 IonicContact NZ-OD2 2.77Å; K624-D635 PolarHBondContact NZ-OD2 3.27Å; V631-D635 WeakPolarHBondContact CA-OD2 3.41Å; G632-D635 PolarHBondContact N-OD2 2.66Å; G632-D635 WeakPolarHBondContact O-CB 3.4Å; G632-D635 PolarHBondContact O-N 2.91Å; L633-D635 VanDerWaalsContact C-N 3.3Å; L633-D635 PolarHBondContact O-N 3.23Å; D635-E637 VanDerWaalsContact C-N 3.32Å; D635-E637 PolarHBondContact O-N 3.1Å; D635-S638 PolarHBondContact O-N 3.45Å; D635-S638 PolarHBondContact O-OG 2.95Å; D635-L705 HydrophobicContact CB-CD1 4.09Å |
| 636 | L | 83.9 | Confident | 82.7 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.4 | -27.4 | 178.3 | -165.1 | 57.9 | 0 | 0 | 0 | 113.1 | L633 K634 S638 I639 D640 F643 Y644 L647 A701 R704 L705 | L633-L636 VanDerWaalsContact O-CB 3.22Å; L633-L636 WeakPolarHBondContact O-CB 3.41Å; L633-L636 PolarHBondContact O-N 2.73Å; K634-L636 PolarHBondContact O-N 2.92Å; L636-S638 PolarHBondContact O-N 2.93Å; L636-I639 PolarHBondContact O-N 2.71Å; L636-I639 VanDerWaalsContact O-N 3.08Å; L636-D640 HydrophobicContact CD1-CB 4.05Å; L636-D640 CarbonylContact O-C 3.44Å; L636-D640 PolarHBondContact O-N 2.71Å; L636-F643 HydrophobicContact CD2-CD1 3.5Å; L636-F643 VanDerWaalsContact CD2-CD1 3.5Å; L636-F643 HydrophobicContact CD2-CE1 3.97Å; L636-F643 HydrophobicContact CG-CD1 4.37Å; L636-Y644 HydrophobicContact CB-CD2 4.48Å; L636-L647 HydrophobicContact CD2-CD1 3.84Å; L636-A701 HydrophobicContact CD2-CB 4.3Å; L636-R704 HydrophobicContact CD1-CB 4.26Å; L636-R704 HydrophobicContact CD1-CG 3.6Å; L636-R704 HydrophobicContact CD2-CG 4.41Å; L636-L705 HydrophobicContact CD1-CD2 3.89Å; L636-L705 HydrophobicContact CD1-CG 4.13Å |
| 637 | E | 81.1 | Confident | 82.9 | Confident | 24 Ų | 24 | 40 Ų | 40 | 11% | 0.112 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -54.4 | -42.2 | 176.5 | -173.4 | 180 | -164 | 0 | 0 | 110.9 | K634 D635 P641 Y644 H828 C830 | K634-E637 WeakPolarHBondContact O-CB 3.31Å; K634-E637 PolarHBondContact O-N 2.7Å; D635-E637 VanDerWaalsContact C-N 3.32Å; D635-E637 PolarHBondContact O-N 3.1Å; E637-P641 WeakPolarHBondContact O-CG 3.41Å; E637-Y644 HydrophobicContact CB-CD1 3.83Å; E637-Y644 HydrophobicContact CB-CD2 3.91Å; E637-Y644 HydrophobicContact CB-CE1 3.96Å; E637-Y644 HydrophobicContact CB-CE2 4.03Å; E637-Y644 HydrophobicContact CB-CG 3.79Å; E637-Y644 HydrophobicContact CG-CD1 3.8Å; E637-Y644 HydrophobicContact CG-CE1 3.81Å; E637-Y644 HydrophobicContact CG-CG 4.28Å; E637-H828 IonicContact OE1-CG 3.45Å; E637-H828 IonicContact OE1-ND1 3.74Å; E637-H828 PolarHBondContact OE1-ND1 3.38Å; E637-C830 PolarHBondContact O-SG 3.41Å |
| 638 | S | 74.2 | Confident | 83 | Confident | 24 Ų | 24 | 41 Ų | 41 | 17% | 0.168 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -18.9 | -178.8 | 68.4 | 0 | 0 | 0 | 0 | 115 | D635 L636 | D635-S638 PolarHBondContact O-N 3.45Å; D635-S638 PolarHBondContact O-OG 2.95Å; L636-S638 PolarHBondContact O-N 2.93Å |
| 639 | I | 78.8 | Confident | 83.2 | Confident | 6 Ų | 6 | 40.3 Ų | 40.3 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | -49.1 | -174.6 | -63.9 | -59 | 0 | 0 | 0 | 110.9 | A574 S619 P621 L636 L705 | A574-I639 HydrophobicContact CB-CD1 4.14Å; A574-I639 HydrophobicContact CB-CG2 4.15Å; A574-I639 WeakPolarHBondContact CB-O 3.28Å; S619-I639 VanDerWaalsContact CB-CD1 3.47Å; P621-I639 HydrophobicContact CG-CD1 4.01Å; P621-I639 HydrophobicContact CG-CG1 3.69Å; L636-I639 PolarHBondContact O-N 2.71Å; L636-I639 VanDerWaalsContact O-N 3.08Å; I639-L705 HydrophobicContact CB-CD2 4.24Å; I639-L705 HydrophobicContact CG1-CD2 3.94Å; I639-L705 HydrophobicContact CG2-CD2 4.37Å |
| 640 | D | 80 | Confident | 83.4 | Confident | 33 Ų | 33 | 38.1 Ų | 38.1 | 18% | 0.176 | 20% | 0.204 | C | C | . | . | trans | -141.1 | 81.7 | -174.9 | -166.7 | -25.3 | 0 | 0 | 0 | 109 | L636 E642 F643 Y644 R704 | L636-D640 HydrophobicContact CD1-CB 4.05Å; L636-D640 CarbonylContact O-C 3.44Å; L636-D640 PolarHBondContact O-N 2.71Å; D640-E642 VanDerWaalsContact C-N 3.29Å; D640-E642 PolarHBondContact O-N 3.49Å; D640-F643 HydrophobicContact CB-CB 3.98Å; D640-F643 PolarHBondContact O-N 3.49Å; D640-F643 VanDerWaalsContact OD1-CB 3.23Å; D640-F643 WeakPolarHBondContact OD1-CB 3.34Å; D640-F643 PolarHBondContact OD1-N 2.86Å; D640-F643 VanDerWaalsContact OD1-N 3.09Å; D640-F643 WeakPolarHBondContact OD2-CB 3.43Å; D640-Y644 WeakPolarHBondContact O-CB 3.27Å; D640-Y644 PolarHBondContact O-N 2.79Å; D640-R704 IonicContact OD2-CZ 2.95Å; D640-R704 IonicContact OD2-NE 2.71Å; D640-R704 PolarHBondContact OD2-NE 3.23Å; D640-R704 VanDerWaalsContact OD2-NE 3.1Å; D640-R704 IonicContact OD2-NH2 3.92Å; D640-R704 PolarHBondContact OD2-NH2 2.77Å | ||
| 641 | P | 79.5 | Confident | 83.8 | Confident | 32 Ų | 32 | 36.4 Ų | 36.4 | 21% | 0.208 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.1 | -35.9 | -175.8 | -19.6 | 28.1 | 0 | 0 | 0 | 112.9 | E637 N645 | E637-P641 WeakPolarHBondContact O-CG 3.41Å; P641-N645 WeakPolarHBondContact O-CB 3.46Å; P641-N645 PolarHBondContact O-N 3.07Å; P641-N645 PolarHBondContact O-ND2 3.42Å |
| 642 | E | 80.4 | Confident | 83.8 | Confident | 110 Ų | 110 | 42.5 Ų | 42.5 | 51% | 0.514 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.2 | -44.7 | 178.8 | -69.4 | -167.4 | -163.1 | 0 | 0 | 111 | K56 D640 N645 S646 | K56-E642 IonicContact NZ-OE2 3.14Å; K56-E642 PolarHBondContact NZ-OE2 3.47Å; D640-E642 VanDerWaalsContact C-N 3.29Å; D640-E642 PolarHBondContact O-N 3.49Å; E642-N645 PolarHBondContact O-N 3.4Å; E642-S646 PolarHBondContact O-N 2.95Å; E642-S646 VanDerWaalsContact O-N 3.13Å; E642-S646 PolarHBondContact O-OG 3.41Å |
| 643 | F | 84.3 | Confident | 83.8 | Confident | 16 Ų | 16 | 44 Ų | 44 | 7% | 0.07 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70.8 | -38.9 | 178.3 | -164.5 | -87.2 | 0 | 0 | 0 | 112 | L89 L636 D640 N645 S646 L647 V700 R704 | L89-F643 HydrophobicContact CD2-CD2 4.27Å; L89-F643 HydrophobicContact CD2-CE1 4.43Å; L89-F643 HydrophobicContact CD2-CE2 3.49Å; L89-F643 VanDerWaalsContact CD2-CE2 3.49Å; L89-F643 HydrophobicContact CD2-CZ 3.6Å; L636-F643 HydrophobicContact CD2-CD1 3.5Å; L636-F643 VanDerWaalsContact CD2-CD1 3.5Å; L636-F643 HydrophobicContact CD2-CE1 3.97Å; L636-F643 HydrophobicContact CG-CD1 4.37Å; D640-F643 HydrophobicContact CB-CB 3.98Å; D640-F643 PolarHBondContact O-N 3.49Å; D640-F643 VanDerWaalsContact OD1-CB 3.23Å; D640-F643 WeakPolarHBondContact OD1-CB 3.34Å; D640-F643 PolarHBondContact OD1-N 2.86Å; D640-F643 VanDerWaalsContact OD1-N 3.09Å; D640-F643 WeakPolarHBondContact OD2-CB 3.43Å; F643-N645 PolarHBondContact O-N 2.88Å; F643-S646 WeakPolarHBondContact O-CB 3.43Å; F643-S646 PolarHBondContact O-N 2.9Å; F643-L647 HydrophobicContact CD1-CD1 4.1Å; F643-L647 HydrophobicContact CD1-CG 4.31Å; F643-L647 HydrophobicContact CE1-CD1 3.85Å; F643-L647 HydrophobicContact CE1-CG 4.19Å; F643-L647 PolarHBondContact O-N 2.74Å; F643-L647 VanDerWaalsContact O-N 3.09Å; F643-V700 HydrophobicContact CE1-CG1 3.58Å; F643-V700 HydrophobicContact CZ-CG1 3.47Å; F643-V700 VanDerWaalsContact CZ-CG1 3.47Å; F643-R704 HydrophobicContact CD1-CG 4Å; F643-R704 HydrophobicContact CE1-CB 3.91Å; F643-R704 HydrophobicContact CE1-CG 3.85Å; F643-R704 HydrophobicContact CZ-CB 4.37Å; F643-R704 HydrophobicContact CZ-CG 4.33Å |
| 644 | Y | 86.4 | Confident | 83.7 | Confident | 30 Ų | 30 | 44.9 Ų | 44.9 | 12% | 0.118 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56 | -50.3 | 171.4 | 170.9 | -101 | 0 | 0 | 0 | 111.9 | L633 L636 E637 D640 S646 L647 I648 | L633-Y644 HydrophobicContact CD1-CD2 3.97Å; L633-Y644 HydrophobicContact CD1-CE2 4.25Å; L633-Y644 HydrophobicContact CG-CD2 4.19Å; L633-Y644 HydrophobicContact CG-CE2 3.98Å; L633-Y644 WeakPolarHBondContact O-CD2 3.5Å; L633-Y644 WeakPolarHBondContact O-CE2 3.27Å; L636-Y644 HydrophobicContact CB-CD2 4.48Å; E637-Y644 HydrophobicContact CB-CD1 3.83Å; E637-Y644 HydrophobicContact CB-CD2 3.91Å; E637-Y644 HydrophobicContact CB-CE1 3.96Å; E637-Y644 HydrophobicContact CB-CE2 4.03Å; E637-Y644 HydrophobicContact CB-CG 3.79Å; E637-Y644 HydrophobicContact CG-CD1 3.8Å; E637-Y644 HydrophobicContact CG-CE1 3.81Å; E637-Y644 HydrophobicContact CG-CG 4.28Å; D640-Y644 WeakPolarHBondContact O-CB 3.27Å; D640-Y644 PolarHBondContact O-N 2.79Å; Y644-S646 PolarHBondContact O-N 3.32Å; Y644-L647 PolarHBondContact O-N 3.12Å; Y644-L647 VanDerWaalsContact O-N 3.1Å; Y644-I648 HydrophobicContact CD1-CG1 4.11Å; Y644-I648 HydrophobicContact CD2-CG1 4.15Å; Y644-I648 HydrophobicContact CE1-CD1 4.36Å; Y644-I648 HydrophobicContact CE1-CG1 3.65Å; Y644-I648 HydrophobicContact CE2-CD1 3.81Å; Y644-I648 HydrophobicContact CE2-CG1 3.7Å; Y644-I648 HydrophobicContact CG-CG1 4.35Å; Y644-I648 VanDerWaalsContact CZ-CG1 3.42Å; Y644-I648 WeakPolarHBondContact O-CG1 3.34Å; Y644-I648 PolarHBondContact O-N 3.34Å; Y644-I648 WeakPolarHBondContact OH-CD1 3.26Å |
| 645 | N | 85.3 | Confident | 83.8 | Confident | 92 Ų | 92 | 39.4 Ų | 39.4 | 49% | 0.492 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.1 | -36.1 | 178.6 | -72.1 | -31.8 | 0 | 0 | 0 | 112 | P641 E642 F643 I648 W649 | P641-N645 WeakPolarHBondContact O-CB 3.46Å; P641-N645 PolarHBondContact O-N 3.07Å; P641-N645 PolarHBondContact O-ND2 3.42Å; E642-N645 PolarHBondContact O-N 3.4Å; F643-N645 PolarHBondContact O-N 2.88Å; N645-I648 PolarHBondContact O-N 3.37Å; N645-W649 WeakPolarHBondContact O-CB 3.29Å; N645-W649 PolarHBondContact O-N 3.17Å |
| 646 | S | 86.6 | Confident | 83.7 | Confident | 25 Ų | 25 | 44.6 Ų | 44.6 | 18% | 0.175 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.2 | -43.1 | 175.7 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | T88 E642 F643 Y644 W649 V650 | T88-S646 WeakPolarHBondContact CB-OG 3.31Å; T88-S646 PolarHBondContact OG1-OG 3.12Å; E642-S646 PolarHBondContact O-N 2.95Å; E642-S646 VanDerWaalsContact O-N 3.13Å; E642-S646 PolarHBondContact O-OG 3.41Å; F643-S646 WeakPolarHBondContact O-CB 3.43Å; F643-S646 PolarHBondContact O-N 2.9Å; Y644-S646 PolarHBondContact O-N 3.32Å; S646-W649 PolarHBondContact O-N 3.01Å; S646-V650 WeakPolarHBondContact O-CG2 3.25Å; S646-V650 PolarHBondContact O-N 3.28Å; S646-V650 VanDerWaalsContact O-N 3.12Å |
| 647 | L | 89.2 | Confident | 83.2 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -71.6 | -36.9 | 177.4 | -67.7 | -176.1 | 0 | 0 | 0 | 113.1 | L89 L633 L636 F643 Y644 W649 V650 K651 I697 V700 A701 | L89-L647 HydrophobicContact CD2-CD2 4.37Å; L633-L647 HydrophobicContact CD1-CB 3.66Å; L633-L647 HydrophobicContact CD1-CD1 3.69Å; L633-L647 HydrophobicContact CD1-CG 4.35Å; L636-L647 HydrophobicContact CD2-CD1 3.84Å; F643-L647 HydrophobicContact CD1-CD1 4.1Å; F643-L647 HydrophobicContact CD1-CG 4.31Å; F643-L647 HydrophobicContact CE1-CD1 3.85Å; F643-L647 HydrophobicContact CE1-CG 4.19Å; F643-L647 PolarHBondContact O-N 2.74Å; F643-L647 VanDerWaalsContact O-N 3.09Å; Y644-L647 PolarHBondContact O-N 3.12Å; Y644-L647 VanDerWaalsContact O-N 3.1Å; L647-W649 VanDerWaalsContact C-N 3.29Å; L647-V650 PolarHBondContact O-N 3.26Å; L647-K651 WeakPolarHBondContact O-CB 3.4Å; L647-K651 PolarHBondContact O-N 3.18Å; L647-I697 HydrophobicContact CB-CG2 4.29Å; L647-I697 HydrophobicContact CD1-CG2 4.46Å; L647-V700 HydrophobicContact CD1-CB 4.49Å; L647-V700 HydrophobicContact CD1-CG1 4.14Å; L647-V700 HydrophobicContact CD2-CB 4.33Å; L647-V700 HydrophobicContact CD2-CG1 3.98Å; L647-A701 HydrophobicContact CD1-CB 4.24Å |
| 648 | I | 87.6 | Confident | 82.8 | Confident | 29 Ų | 29 | 52.2 Ų | 52.2 | 15% | 0.149 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 172.8 | -68.3 | -66.3 | 0 | 0 | 0 | 110.5 | L633 Y644 N645 V650 K651 E652 | L633-I648 HydrophobicContact CD2-CD1 3.75Å; L633-I648 HydrophobicContact CG-CD1 4.36Å; Y644-I648 HydrophobicContact CD1-CG1 4.11Å; Y644-I648 HydrophobicContact CD2-CG1 4.15Å; Y644-I648 HydrophobicContact CE1-CD1 4.36Å; Y644-I648 HydrophobicContact CE1-CG1 3.65Å; Y644-I648 HydrophobicContact CE2-CD1 3.81Å; Y644-I648 HydrophobicContact CE2-CG1 3.7Å; Y644-I648 HydrophobicContact CG-CG1 4.35Å; Y644-I648 VanDerWaalsContact CZ-CG1 3.42Å; Y644-I648 WeakPolarHBondContact O-CG1 3.34Å; Y644-I648 PolarHBondContact O-N 3.34Å; Y644-I648 WeakPolarHBondContact OH-CD1 3.26Å; N645-I648 PolarHBondContact O-N 3.37Å; I648-V650 PolarHBondContact O-N 3.46Å; I648-K651 WeakPolarHBondContact O-CA 3.3Å; I648-K651 VanDerWaalsContact O-CB 3.29Å; I648-K651 WeakPolarHBondContact O-CB 3.5Å; I648-K651 PolarHBondContact O-N 3.07Å; I648-K651 VanDerWaalsContact O-N 3.11Å; I648-E652 HydrophobicContact CG2-CG 4.22Å; I648-E652 WeakPolarHBondContact O-CG 3.47Å; I648-E652 PolarHBondContact O-N 3.39Å |
| 649 | W | 86.1 | Confident | 82.6 | Confident | 65 Ų | 65 | 54.2 Ų | 54.2 | 25% | 0.246 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 175.3 | -175.4 | 86.4 | 0 | 0 | 0 | 111.6 | F37 N645 S646 L647 K651 E652 N653 C658 L660 | F37-W649 HydrophobicContact CD2-CH2 4.48Å; F37-W649 HydrophobicContact CD2-CZ2 4.14Å; F37-W649 HydrophobicContact CE1-CZ2 4.24Å; F37-W649 AromaticContact CE1-NE1 3.78Å; F37-W649 AromaticContact CE2-CE2 3.76Å; F37-W649 AromaticContact CE2-CH2 3.66Å; F37-W649 HydrophobicContact CE2-CH2 3.66Å; F37-W649 AromaticContact CE2-CZ2 3.05Å; F37-W649 HydrophobicContact CE2-CZ2 3.05Å; F37-W649 AromaticContact CZ-CE2 3.41Å; F37-W649 VanDerWaalsContact CZ-CE2 3.41Å; F37-W649 HydrophobicContact CZ-CH2 4.17Å; F37-W649 AromaticContact CZ-CZ2 3.13Å; F37-W649 HydrophobicContact CZ-CZ2 3.13Å; F37-W649 AromaticContact CZ-NE1 3.37Å; N645-W649 WeakPolarHBondContact O-CB 3.29Å; N645-W649 PolarHBondContact O-N 3.17Å; S646-W649 PolarHBondContact O-N 3.01Å; L647-W649 VanDerWaalsContact C-N 3.29Å; W649-K651 PolarHBondContact O-N 3.33Å; W649-E652 PolarHBondContact O-N 2.93Å; W649-N653 VanDerWaalsContact CD1-ND2 3.3Å; W649-N653 HydrophobicContact CD2-CB 4.46Å; W649-N653 HydrophobicContact CH2-CB 4.05Å; W649-N653 HydrophobicContact CZ2-CB 3.61Å; W649-N653 PolarHBondContact NE1-ND2 2.84Å; W649-N653 VanDerWaalsContact NE1-ND2 3.19Å; W649-N653 WeakPolarHBondContact O-CB 3.25Å; W649-N653 PolarHBondContact O-N 3.05Å; W649-N653 VanDerWaalsContact O-N 3.1Å; W649-N653 PolarHBondContact O-ND2 2.78Å; W649-C658 HydrophobicContact CH2-CB 4.3Å; W649-L660 HydrophobicContact CH2-CD1 3.84Å; W649-L660 HydrophobicContact CZ3-CD1 3.83Å |
| 650 | V | 87.6 | Confident | 82.5 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.012 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.4 | -38.1 | 174 | 171.2 | 0 | 0 | 0 | 0 | 111.5 | S646 L647 I648 I655 M662 I697 | S646-V650 WeakPolarHBondContact O-CG2 3.25Å; S646-V650 PolarHBondContact O-N 3.28Å; S646-V650 VanDerWaalsContact O-N 3.12Å; L647-V650 PolarHBondContact O-N 3.26Å; I648-V650 PolarHBondContact O-N 3.46Å; V650-I655 HydrophobicContact CG1-CG2 4.07Å; V650-M662 HydrophobicContact CG1-CE 3.96Å; V650-M662 HydrophobicContact CG2-CE 4.23Å; V650-M662 HydrophobicContact CG2-SD 4.22Å; V650-I697 HydrophobicContact CG1-CD1 4.14Å; V650-I697 HydrophobicContact CG1-CG1 4.19Å |
| 651 | K | 88.6 | Confident | 82.6 | Confident | 78 Ų | 78 | 61.3 Ų | 61.3 | 34% | 0.339 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.5 | -47.5 | 177.9 | -164.1 | -179.9 | 179.5 | 178.1 | 0 | 112.4 | L633 L647 I648 W649 K693 E694 I697 | L633-K651 HydrophobicContact CD2-CD 4.46Å; L647-K651 WeakPolarHBondContact O-CB 3.4Å; L647-K651 PolarHBondContact O-N 3.18Å; I648-K651 WeakPolarHBondContact O-CA 3.3Å; I648-K651 VanDerWaalsContact O-CB 3.29Å; I648-K651 WeakPolarHBondContact O-CB 3.5Å; I648-K651 PolarHBondContact O-N 3.07Å; I648-K651 VanDerWaalsContact O-N 3.11Å; W649-K651 PolarHBondContact O-N 3.33Å; K651-K693 WeakPolarHBondContact O-CE 3.48Å; K651-K693 PolarHBondContact O-NZ 3.21Å; K651-E694 WeakPolarHBondContact CE-OE1 3.44Å; K651-E694 WeakPolarHBondContact CE-OE2 3.39Å; K651-E694 WeakPolarHBondContact CG-OE1 3.39Å; K651-I697 HydrophobicContact CB-CD1 3.7Å; K651-I697 HydrophobicContact CG-CD1 4.03Å |
| 652 | E | 86.6 | Confident | 82.9 | Confident | 150 Ų | 150 | 60 Ų | 60 | 70% | 0.701 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -85.3 | -13.4 | -169.7 | -67.9 | -178.8 | 172.8 | 0 | 0 | 114.2 | I648 W649 | I648-E652 HydrophobicContact CG2-CG 4.22Å; I648-E652 WeakPolarHBondContact O-CG 3.47Å; I648-E652 PolarHBondContact O-N 3.39Å; W649-E652 PolarHBondContact O-N 2.93Å |
| 653 | N | 84.2 | Confident | 83.4 | Confident | 54 Ų | 54 | 58 Ų | 58 | 29% | 0.289 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -115.1 | 154.4 | -175.8 | -64.2 | -95.2 | 0 | 0 | 0 | 111.5 | W649 I655 K693 | W649-N653 VanDerWaalsContact CD1-ND2 3.3Å; W649-N653 HydrophobicContact CD2-CB 4.46Å; W649-N653 HydrophobicContact CH2-CB 4.05Å; W649-N653 HydrophobicContact CZ2-CB 3.61Å; W649-N653 PolarHBondContact NE1-ND2 2.84Å; W649-N653 VanDerWaalsContact NE1-ND2 3.19Å; W649-N653 WeakPolarHBondContact O-CB 3.25Å; W649-N653 PolarHBondContact O-N 3.05Å; W649-N653 VanDerWaalsContact O-N 3.1Å; W649-N653 PolarHBondContact O-ND2 2.78Å; N653-I655 PolarHBondContact O-N 3.13Å; N653-K693 PolarHBondContact O-NZ 3.02Å |
| 654 | N | 83.1 | Confident | 83.9 | Confident | 49 Ų | 49 | 57.3 Ų | 57.3 | 26% | 0.262 | 29% | 0.292 | S | S | . | . | trans | -79.6 | 109.5 | 173.7 | -174.4 | -26.3 | 0 | 0 | 0 | 109.7 | E656 E657 C658 E690 | N654-E656 VanDerWaalsContact C-N 3.35Å; N654-E656 WeakPolarHBondContact OD1-CB 3.29Å; N654-E656 PolarHBondContact OD1-N 2.92Å; N654-E657 HydrophobicContact CB-CB 4.21Å; N654-E657 HydrophobicContact CB-CG 4.26Å; N654-E657 VanDerWaalsContact ND2-CD 3.33Å; N654-E657 PolarHBondContact ND2-OE1 3.04Å; N654-E657 PolarHBondContact OD1-N 3.03Å; N654-C658 PolarHBondContact O-N 3.29Å; N654-C658 PolarHBondContact O-SG 3.17Å; N654-E690 WeakPolarHBondContact CA-OE1 3.46Å; N654-E690 WeakPolarHBondContact OD1-CG 3.29Å | ||
| 655 | I | 83.9 | Confident | 84.1 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -27 | -174.5 | 69.1 | -174.3 | 0 | 0 | 0 | 112.9 | V650 N653 C658 G659 L660 M662 V688 E690 K693 | V650-I655 HydrophobicContact CG1-CG2 4.07Å; N653-I655 PolarHBondContact O-N 3.13Å; I655-C658 PolarHBondContact O-N 3.06Å; I655-G659 PolarHBondContact O-N 2.9Å; I655-L660 PolarHBondContact O-N 2.94Å; I655-L660 VanDerWaalsContact O-N 3.16Å; I655-M662 HydrophobicContact CB-CE 4.1Å; I655-M662 HydrophobicContact CD1-CE 3.87Å; I655-M662 HydrophobicContact CG2-CE 3.84Å; I655-V688 HydrophobicContact CD1-CB 4.28Å; I655-V688 HydrophobicContact CD1-CG1 3.7Å; I655-E690 WeakPolarHBondContact CG1-OE1 3.33Å; I655-E690 PolarHBondContact N-OE1 3.24Å; I655-K693 HydrophobicContact CD1-CB 4.19Å |
| 656 | E | 80 | Confident | 84.2 | Confident | 117 Ų | 117 | 53 Ų | 53 | 55% | 0.547 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -42.4 | -179.9 | -65.1 | 175.2 | -166.4 | 0 | 0 | 110.7 | N654 C658 G659 T689 E690 | N654-E656 VanDerWaalsContact C-N 3.35Å; N654-E656 WeakPolarHBondContact OD1-CB 3.29Å; N654-E656 PolarHBondContact OD1-N 2.92Å; E656-C658 PolarHBondContact O-N 2.99Å; E656-G659 PolarHBondContact O-N 3.48Å; E656-T689 WeakPolarHBondContact OE1-CB 3.5Å; E656-E690 HydrophobicContact CG-CG 4.2Å; E656-E690 PolarHBondContact OE1-N 2.9Å |
| 657 | E | 74.2 | Confident | 84 | Confident | 162 Ų | 162 | 54.5 Ų | 54.5 | 76% | 0.757 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -31.3 | 173.7 | -73.6 | 176.3 | -157.8 | 0 | 0 | 112.3 | N654 G659 | N654-E657 HydrophobicContact CB-CB 4.21Å; N654-E657 HydrophobicContact CB-CG 4.26Å; N654-E657 VanDerWaalsContact ND2-CD 3.33Å; N654-E657 PolarHBondContact ND2-OE1 3.04Å; N654-E657 PolarHBondContact OD1-N 3.03Å; E657-G659 VanDerWaalsContact C-N 3.29Å; E657-G659 PolarHBondContact O-N 3.17Å |
| 658 | C | 71.6 | Confident | 83.3 | Confident | 22 Ų | 22 | 57.3 Ų | 57.3 | 15% | 0.149 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -8.3 | 178.6 | -65.6 | 0 | 0 | 0 | 0 | 113.7 | W649 N654 I655 E656 L660 | W649-C658 HydrophobicContact CH2-CB 4.3Å; N654-C658 PolarHBondContact O-N 3.29Å; N654-C658 PolarHBondContact O-SG 3.17Å; I655-C658 PolarHBondContact O-N 3.06Å; E656-C658 PolarHBondContact O-N 2.99Å; C658-L660 HydrophobicContact CB-CD1 4.01Å; C658-L660 PolarHBondContact O-N 3.1Å |
| 659 | G | 71.1 | Confident | 82.2 | Confident | 66 Ų | 66 | 62.8 Ų | 62.8 | 68% | 0.68 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 26.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | I655 E656 E657 E661 | I655-G659 PolarHBondContact O-N 2.9Å; E656-G659 PolarHBondContact O-N 3.48Å; E657-G659 VanDerWaalsContact C-N 3.29Å; E657-G659 PolarHBondContact O-N 3.17Å; G659-E661 PolarHBondContact O-N 3.35Å |
| 660 | L | 76.2 | Confident | 80.9 | Confident | 65 Ų | 65 | 62.4 Ų | 62.4 | 34% | 0.34 | 32% | 0.319 | S | S | . | . | trans | -81.4 | 101.5 | -179.7 | -115.1 | 115.1 | 0 | 0 | 0 | 109.9 | W649 I655 C658 M662 | W649-L660 HydrophobicContact CH2-CD1 3.84Å; W649-L660 HydrophobicContact CZ3-CD1 3.83Å; I655-L660 PolarHBondContact O-N 2.94Å; I655-L660 VanDerWaalsContact O-N 3.16Å; C658-L660 HydrophobicContact CB-CD1 4.01Å; C658-L660 PolarHBondContact O-N 3.1Å; L660-M662 HydrophobicContact CB-CE 4.49Å; L660-M662 HydrophobicContact CD2-CE 4.21Å; L660-M662 HydrophobicContact CD2-CG 3.97Å; L660-M662 HydrophobicContact CD2-SD 3.69Å; L660-M662 PolarHBondContact O-N 3.42Å | ||
| 661 | E | 81.5 | Confident | 79.3 | Confident | 122 Ų | 122 | 69.8 Ų | 69.8 | 57% | 0.57 | 36% | 0.357 | S | S | * | . | trans | -82.4 | 101 | 176.7 | -165.7 | 172.8 | -151.7 | 0 | 0 | 110.3 | K90 G659 Y663 L687 | K90-E661 PolarHBondContact NZ-O 3.41Å; G659-E661 PolarHBondContact O-N 3.35Å; E661-Y663 HydrophobicContact CG-CE2 3.77Å; E661-Y663 PolarHBondContact OE1-OH 3.34Å; E661-L687 HydrophobicContact CG-CD1 3.76Å | ||
| 662 | M | 86.6 | Confident | 77.6 | Confident | 5 Ų | 5 | 68.7 Ų | 68.7 | 3% | 0.025 | 37% | 0.368 | C | S | . | . | trans | -118.9 | 149.5 | 178.3 | -61.8 | -178.7 | -66.5 | 0 | 0 | 110 | L89 V650 I655 L660 L687 V688 Y696 | L89-M662 HydrophobicContact CD1-SD 4.45Å; V650-M662 HydrophobicContact CG1-CE 3.96Å; V650-M662 HydrophobicContact CG2-CE 4.23Å; V650-M662 HydrophobicContact CG2-SD 4.22Å; I655-M662 HydrophobicContact CB-CE 4.1Å; I655-M662 HydrophobicContact CD1-CE 3.87Å; I655-M662 HydrophobicContact CG2-CE 3.84Å; L660-M662 HydrophobicContact CB-CE 4.49Å; L660-M662 HydrophobicContact CD2-CE 4.21Å; L660-M662 HydrophobicContact CD2-CG 3.97Å; L660-M662 HydrophobicContact CD2-SD 3.69Å; L660-M662 PolarHBondContact O-N 3.42Å; M662-L687 WeakPolarHBondContact O-CD1 3.38Å; M662-V688 HydrophobicContact CB-CB 3.97Å; M662-V688 HydrophobicContact CB-CG2 3.87Å; M662-V688 HydrophobicContact CE-CG1 4.37Å; M662-V688 PolarHBondContact O-N 2.94Å; M662-Y696 HydrophobicContact SD-CE1 4.42Å | ||
| 663 | Y | 91.6 | Very high | 76.1 | Confident | 69 Ų | 69 | 67 Ų | 67 | 27% | 0.271 | 36% | 0.36 | S | S | . | . | B | Isolated β-bridge | trans | -125.8 | 164.3 | 177.3 | -65.1 | -89.1 | 0 | 0 | 0 | 110 | E661 S665 G684 I686 L687 Y696 | E661-Y663 HydrophobicContact CG-CE2 3.77Å; E661-Y663 PolarHBondContact OE1-OH 3.34Å; Y663-S665 PolarHBondContact O-N 2.67Å; Y663-G684 WeakPolarHBondContact CD1-O 3.44Å; Y663-I686 CarbonylContact C-O 3.58Å; Y663-I686 VanDerWaalsContact CA-O 3.24Å; Y663-I686 WeakPolarHBondContact CA-O 3.46Å; Y663-L687 HydrophobicContact CD1-CB 4.42Å; Y663-L687 HydrophobicContact CD1-CD1 4.42Å; Y663-L687 HydrophobicContact CE1-CB 4.2Å; Y663-L687 HydrophobicContact CE1-CD1 3.95Å; Y663-L687 HydrophobicContact CE2-CD1 4.43Å; Y663-Y696 WeakPolarHBondContact O-CE2 3.09Å |
| 664 | F | 94.1 | Very high | 75.6 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -73.1 | 47.5 | 175.2 | -81.7 | -105.4 | 0 | 0 | 0 | 112.8 | L679 K680 G683 I686 V688 N692 E695 Y696 M699 | F664-L679 WeakPolarHBondContact O-CB 3.18Å; F664-L679 PolarHBondContact O-N 3.41Å; F664-K680 HydrophobicContact CB-CD 4.43Å; F664-K680 HydrophobicContact CB-CG 4.1Å; F664-K680 HydrophobicContact CD1-CD 3.63Å; F664-K680 HydrophobicContact CD1-CG 4.05Å; F664-K680 HydrophobicContact CE1-CD 4.02Å; F664-K680 VanDerWaalsContact CE1-NZ 3.32Å; F664-K680 HydrophobicContact CG-CD 4.11Å; F664-K680 VanDerWaalsContact CG-CE 3.44Å; F664-K680 HydrophobicContact CG-CG 4.32Å; F664-G683 CarbonylContact C-O 3.55Å; F664-G683 WeakPolarHBondContact CA-O 3.5Å; F664-G683 WeakPolarHBondContact CB-O 3.29Å; F664-G683 PolarHBondContact N-O 2.9Å; F664-G683 CarbonylContact O-C 3.45Å; F664-G683 VanDerWaalsContact O-CA 3.26Å; F664-G683 WeakPolarHBondContact O-CA 3.22Å; F664-I686 HydrophobicContact CB-CB 4.41Å; F664-I686 HydrophobicContact CD2-CB 4.12Å; F664-I686 HydrophobicContact CD2-CG2 3.68Å; F664-I686 HydrophobicContact CE2-CG2 4.05Å; F664-I686 HydrophobicContact CG-CG2 4.44Å; F664-I686 PolarHBondContact N-O 3.48Å; F664-V688 HydrophobicContact CD2-CG2 3.9Å; F664-V688 HydrophobicContact CE2-CG2 3.98Å; F664-N692 HydrophobicContact CE2-CB 4.34Å; F664-N692 HydrophobicContact CZ-CB 4.16Å; F664-E695 HydrophobicContact CE1-CB 4.18Å; F664-E695 HydrophobicContact CE1-CG 4.02Å; F664-E695 HydrophobicContact CZ-CB 4.25Å; F664-E695 HydrophobicContact CZ-CG 4.48Å; F664-Y696 HydrophobicContact CD1-CD2 4.25Å; F664-Y696 HydrophobicContact CG-CD2 4.24Å; F664-M699 HydrophobicContact CD1-SD 3.92Å; F664-M699 HydrophobicContact CE1-SD 4.07Å |
| 665 | S | 91.3 | Very high | 75.4 | Confident | 26 Ų | 26 | 71.6 Ų | 71.6 | 18% | 0.182 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 152.8 | 176.7 | 59.7 | 0 | 0 | 0 | 0 | 110.1 | Y663 H677 | Y663-S665 PolarHBondContact O-N 2.67Å; S665-H677 CarbonylContact C-O 3.59Å; S665-H677 VanDerWaalsContact CA-O 3.29Å; S665-H677 WeakPolarHBondContact CA-O 3.46Å |
| 666 | V | 87.8 | Confident | 75.4 | Confident | 5 Ų | 5 | 75.1 Ų | 75.1 | 3% | 0.03 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 141.8 | 178.3 | -71.5 | 0 | 0 | 0 | 0 | 110.5 | H677 L679 V700 W703 | V666-H677 HydrophobicContact CG2-CB 4.25Å; V666-H677 PolarHBondContact N-O 2.86Å; V666-H677 PolarHBondContact O-N 3.08Å; V666-L679 HydrophobicContact CG1-CD1 4.19Å; V666-L679 HydrophobicContact CG1-CD2 4.12Å; V666-L679 HydrophobicContact CG1-CG 4.34Å; V666-L679 HydrophobicContact CG2-CD2 3.79Å; V666-L679 HydrophobicContact CG2-CG 4.38Å; V666-V700 HydrophobicContact CG1-CG1 4.4Å; V666-V700 HydrophobicContact CG1-CG2 4Å; V666-W703 HydrophobicContact CB-CE3 4.36Å; V666-W703 HydrophobicContact CB-CH2 4.09Å; V666-W703 HydrophobicContact CB-CZ2 4.43Å; V666-W703 HydrophobicContact CB-CZ3 4.07Å; V666-W703 HydrophobicContact CG2-CD2 3.6Å; V666-W703 VanDerWaalsContact CG2-CE2 3.47Å; V666-W703 HydrophobicContact CG2-CE3 3.77Å; V666-W703 HydrophobicContact CG2-CG 4.23Å; V666-W703 HydrophobicContact CG2-CH2 3.66Å; V666-W703 HydrophobicContact CG2-CZ2 3.53Å; V666-W703 HydrophobicContact CG2-CZ3 3.79Å |
| 667 | D | 82.2 | Confident | 75.7 | Confident | 58 Ų | 58 | 73.9 Ų | 73.9 | 31% | 0.31 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 132.4 | 177.8 | -68.6 | -16.7 | 0 | 0 | 0 | 110.3 | I674 S676 | D667-I674 HydrophobicContact CB-CG2 3.85Å; D667-S676 WeakPolarHBondContact OD1-CB 3.22Å; D667-S676 PolarHBondContact OD1-OG 3.45Å |
| 668 | K | 72.9 | Confident | 76.5 | Confident | 59 Ų | 59 | 69.5 Ų | 69.5 | 26% | 0.257 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 119.5 | 175.6 | -172.7 | 179.3 | 173.2 | -172.8 | 0 | 108.9 | I670 K675 W703 | K668-I670 HydrophobicContact CD-CD1 3.85Å; K668-I670 HydrophobicContact CD-CG1 3.9Å; K668-I670 HydrophobicContact CG-CD1 4.29Å; K668-I670 HydrophobicContact CG-CG1 3.83Å; K668-K675 PolarHBondContact N-O 2.9Å; K668-K675 PolarHBondContact O-N 2.87Å; K668-W703 HydrophobicContact CB-CH2 4.22Å; K668-W703 HydrophobicContact CB-CZ2 4Å; K668-W703 HydrophobicContact CD-CZ2 4.23Å; K668-W703 HydrophobicContact CG-CZ2 4.36Å |
| 669 | E | 65.8 | Low | 77.5 | Confident | 143 Ų | 143 | 69.7 Ų | 69.7 | 67% | 0.668 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 118.5 | 168.9 | -167.3 | 178.9 | 169.9 | 0 | 0 | 109.3 | E673 | E669-E673 WeakPolarHBondContact CA-O 3.01Å |
| 670 | I | 57.5 | Low | 78.5 | Confident | 58 Ų | 58 | 68.5 Ų | 68.5 | 30% | 0.297 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 111.9 | 174.3 | -55.6 | -179.2 | 0 | 0 | 0 | 107 | K668 G672 E673 | K668-I670 HydrophobicContact CD-CD1 3.85Å; K668-I670 HydrophobicContact CD-CG1 3.9Å; K668-I670 HydrophobicContact CG-CD1 4.29Å; K668-I670 HydrophobicContact CG-CG1 3.83Å; I670-G672 PolarHBondContact O-N 3.26Å; I670-E673 PolarHBondContact N-O 3.2Å; I670-E673 PolarHBondContact O-N 2.76Å |
| 671 | L | 54 | Low | 79.3 | Confident | 157 Ų | 157 | 71.1 Ų | 71.1 | 82% | 0.822 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 34.5 | 177.6 | -56 | 169.9 | 0 | 0 | 0 | 113.4 | E673 | L671-E673 VanDerWaalsContact C-N 3.34Š|
| 672 | G | 54.4 | Low | 79.7 | Confident | 55 Ų | 55 | 70.8 Ų | 70.8 | 57% | 0.567 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.4 | -3.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | I670 | I670-G672 PolarHBondContact O-N 3.26Š|
| 673 | E | 54.7 | Low | 79.9 | Confident | 113 Ų | 113 | 70.6 Ų | 70.6 | 53% | 0.528 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 123 | 173 | -165.5 | -171.2 | 171.1 | 0 | 0 | 109.9 | E669 I670 L671 K675 | E669-E673 WeakPolarHBondContact CA-O 3.01Å; I670-E673 PolarHBondContact N-O 3.2Å; I670-E673 PolarHBondContact O-N 2.76Å; L671-E673 VanDerWaalsContact C-N 3.34Å; E673-K675 PolarHBondContact O-N 2.85Å; E673-K675 WeakPolarHBondContact OE1-CE 3.39Å; E673-K675 IonicContact OE1-NZ 2.69Å; E673-K675 WeakPolarHBondContact OE2-CE 3.46Å; E673-K675 IonicContact OE2-NZ 3.88Å; E673-K675 PolarHBondContact OE2-NZ 3Å |
| 674 | I | 74.3 | Confident | 79.9 | Confident | 97 Ų | 97 | 68.5 Ų | 68.5 | 50% | 0.497 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 112.7 | 175.8 | -57.9 | 175.9 | 0 | 0 | 0 | 108.5 | D667 | D667-I674 HydrophobicContact CB-CG2 3.85Å |
| 675 | K | 77.8 | Confident | 79.7 | Confident | 103 Ų | 103 | 74.9 Ų | 74.9 | 45% | 0.448 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 127.1 | 172.6 | -72.6 | -174.8 | -179.1 | 170.1 | 0 | 110.4 | K668 E673 | K668-K675 PolarHBondContact N-O 2.9Å; K668-K675 PolarHBondContact O-N 2.87Å; E673-K675 PolarHBondContact O-N 2.85Å; E673-K675 WeakPolarHBondContact OE1-CE 3.39Å; E673-K675 IonicContact OE1-NZ 2.69Å; E673-K675 WeakPolarHBondContact OE2-CE 3.46Å; E673-K675 IonicContact OE2-NZ 3.88Å; E673-K675 PolarHBondContact OE2-NZ 3Å |
| 676 | S | 84.4 | Confident | 79.9 | Confident | 75 Ų | 75 | 76.2 Ų | 76.2 | 52% | 0.524 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 135.3 | 172.3 | -159.3 | 0 | 0 | 0 | 0 | 110.4 | D667 | D667-S676 WeakPolarHBondContact OD1-CB 3.22Å; D667-S676 PolarHBondContact OD1-OG 3.45Å |
| 677 | H | 86.1 | Confident | 80.1 | Confident | 92 Ų | 92 | 79.7 Ų | 79.7 | 43% | 0.426 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 118.6 | 179.6 | 176.2 | -74.6 | 0 | 0 | 0 | 109.8 | S665 V666 L679 W703 | S665-H677 CarbonylContact C-O 3.59Å; S665-H677 VanDerWaalsContact CA-O 3.29Å; S665-H677 WeakPolarHBondContact CA-O 3.46Å; V666-H677 HydrophobicContact CG2-CB 4.25Å; V666-H677 PolarHBondContact N-O 2.86Å; V666-H677 PolarHBondContact O-N 3.08Å; H677-L679 PolarHBondContact O-N 2.81Å; H677-W703 AromaticContact CE1-CD1 3.75Å; H677-W703 AromaticContact CE1-NE1 3.81Å; H677-W703 AromaticContact CG-NE1 3.7Å; H677-W703 AromaticContact ND1-CD1 3.74Å; H677-W703 AromaticContact ND1-NE1 3.51Å |
| 678 | D | 91.8 | Very high | 80.6 | Confident | 69 Ų | 69 | 77.1 Ų | 77.1 | 37% | 0.369 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 124.2 | 174.3 | -84.3 | 2.7 | 0 | 0 | 0 | 111 | K680 G683 G684 | D678-K680 VanDerWaalsContact C-N 3.29Å; D678-K680 WeakPolarHBondContact CB-O 3.44Å; D678-G683 PolarHBondContact OD2-N 3.16Å; D678-G683 VanDerWaalsContact OD2-N 3.13Å; D678-G684 PolarHBondContact OD1-N 3.15Å |
| 679 | L | 91.3 | Very high | 81.5 | Confident | 27 Ų | 27 | 76 Ų | 76 | 14% | 0.141 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -72.8 | -25.3 | 178.6 | -64 | 170.6 | 0 | 0 | 0 | 112.6 | F664 V666 H677 Y696 M699 V700 W703 | F664-L679 WeakPolarHBondContact O-CB 3.18Å; F664-L679 PolarHBondContact O-N 3.41Å; V666-L679 HydrophobicContact CG1-CD1 4.19Å; V666-L679 HydrophobicContact CG1-CD2 4.12Å; V666-L679 HydrophobicContact CG1-CG 4.34Å; V666-L679 HydrophobicContact CG2-CD2 3.79Å; V666-L679 HydrophobicContact CG2-CG 4.38Å; H677-L679 PolarHBondContact O-N 2.81Å; L679-Y696 HydrophobicContact CD1-CD2 3.78Å; L679-Y696 HydrophobicContact CD1-CE2 3.68Å; L679-M699 HydrophobicContact CB-CB 4.13Å; L679-M699 HydrophobicContact CB-SD 4.16Å; L679-M699 HydrophobicContact CD1-CB 4.24Å; L679-M699 HydrophobicContact CD2-CB 4.47Å; L679-V700 HydrophobicContact CD1-CG2 3.43Å; L679-V700 VanDerWaalsContact CD1-CG2 3.43Å; L679-V700 HydrophobicContact CD2-CG2 4.46Å; L679-W703 HydrophobicContact CD2-CB 3.93Å; L679-W703 HydrophobicContact CD2-CG 4.11Å |
| 680 | K | 91.9 | Very high | 82.7 | Confident | 41 Ų | 41 | 71.9 Ų | 71.9 | 18% | 0.178 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -145.8 | 164.8 | 175.2 | 67.2 | -175.3 | -179.3 | -174.9 | 0 | 109.4 | F664 D678 N682 G683 I686 E695 M699 | F664-K680 HydrophobicContact CB-CD 4.43Å; F664-K680 HydrophobicContact CB-CG 4.1Å; F664-K680 HydrophobicContact CD1-CD 3.63Å; F664-K680 HydrophobicContact CD1-CG 4.05Å; F664-K680 HydrophobicContact CE1-CD 4.02Å; F664-K680 VanDerWaalsContact CE1-NZ 3.32Å; F664-K680 HydrophobicContact CG-CD 4.11Å; F664-K680 VanDerWaalsContact CG-CE 3.44Å; F664-K680 HydrophobicContact CG-CG 4.32Å; D678-K680 VanDerWaalsContact C-N 3.29Å; D678-K680 WeakPolarHBondContact CB-O 3.44Å; K680-N682 PolarHBondContact O-N 3.32Å; K680-G683 WeakPolarHBondContact O-CA 3.49Å; K680-G683 PolarHBondContact O-N 3.13Å; K680-I686 HydrophobicContact CD-CD1 4.34Å; K680-I686 HydrophobicContact CG-CD1 4.24Å; K680-E695 IonicContact NZ-OE1 3.68Å; K680-E695 IonicContact NZ-OE2 2.75Å; K680-E695 PolarHBondContact NZ-OE2 3.17Å; K680-M699 HydrophobicContact CB-CE 4.11Å; K680-M699 HydrophobicContact CB-SD 4.1Å; K680-M699 HydrophobicContact CD-CE 4.11Å; K680-M699 HydrophobicContact CD-SD 4.17Å; K680-M699 HydrophobicContact CG-SD 4.46Å |
| 681 | P | 92.6 | Very high | 84.3 | Confident | 120 Ų | 120 | 78.1 Ų | 78.1 | 78% | 0.779 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 127.6 | -178.7 | -27.3 | 35.6 | 0 | 0 | 0 | 112.2 | G683 | P681-G683 PolarHBondContact O-N 2.63Š|
| 682 | N | 91.2 | Very high | 86.2 | Confident | 115 Ų | 115 | 72.2 Ų | 72.2 | 62% | 0.615 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 28.7 | -173.4 | -68 | -22.9 | 0 | 0 | 0 | 114.5 | K680 G684 N685 I686 | K680-N682 PolarHBondContact O-N 3.32Å; N682-G684 VanDerWaalsContact C-N 3.31Å; N682-G684 PolarHBondContact O-N 3.18Å; N682-N685 PolarHBondContact O-N 3.45Å; N682-I686 WeakPolarHBondContact O-CG1 3.17Å |
| 683 | G | 90.9 | Very high | 88 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -57.5 | -38.4 | -174 | 0 | 0 | 0 | 0 | 0 | 114 | F664 D678 K680 P681 N685 I686 | F664-G683 CarbonylContact C-O 3.55Å; F664-G683 WeakPolarHBondContact CA-O 3.5Å; F664-G683 WeakPolarHBondContact CB-O 3.29Å; F664-G683 PolarHBondContact N-O 2.9Å; F664-G683 CarbonylContact O-C 3.45Å; F664-G683 VanDerWaalsContact O-CA 3.26Å; F664-G683 WeakPolarHBondContact O-CA 3.22Å; D678-G683 PolarHBondContact OD2-N 3.16Å; D678-G683 VanDerWaalsContact OD2-N 3.13Å; K680-G683 WeakPolarHBondContact O-CA 3.49Å; K680-G683 PolarHBondContact O-N 3.13Å; P681-G683 PolarHBondContact O-N 2.63Å; G683-N685 PolarHBondContact O-N 2.88Å; G683-N685 VanDerWaalsContact O-N 3.08Å; G683-I686 PolarHBondContact O-N 3.18Å |
| 684 | G | 90.1 | Very high | 89.8 | Confident | 26 Ų | 26 | 69.6 Ų | 69.6 | 27% | 0.268 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -61.5 | -15.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y663 D678 N682 | Y663-G684 WeakPolarHBondContact CD1-O 3.44Å; D678-G684 PolarHBondContact OD1-N 3.15Å; N682-G684 VanDerWaalsContact C-N 3.31Å; N682-G684 PolarHBondContact O-N 3.18Å |
| 685 | N | 91.8 | Very high | 90.7 | Very high | 134 Ų | 134 | 68.4 Ų | 68.4 | 72% | 0.717 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -103.5 | -3.1 | 175.5 | -62.9 | -52.8 | 0 | 0 | 0 | 113.3 | N682 G683 | N682-N685 PolarHBondContact O-N 3.45Å; G683-N685 PolarHBondContact O-N 2.88Å; G683-N685 VanDerWaalsContact O-N 3.08Å |
| 686 | I | 93.9 | Very high | 91.4 | Very high | 54 Ų | 54 | 63.8 Ų | 63.8 | 28% | 0.277 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -100.4 | 109 | -176.7 | -59.8 | 170.2 | 0 | 0 | 0 | 108.1 | Y663 F664 K680 N682 G683 | Y663-I686 CarbonylContact C-O 3.58Å; Y663-I686 VanDerWaalsContact CA-O 3.24Å; Y663-I686 WeakPolarHBondContact CA-O 3.46Å; F664-I686 HydrophobicContact CB-CB 4.41Å; F664-I686 HydrophobicContact CD2-CB 4.12Å; F664-I686 HydrophobicContact CD2-CG2 3.68Å; F664-I686 HydrophobicContact CE2-CG2 4.05Å; F664-I686 HydrophobicContact CG-CG2 4.44Å; F664-I686 PolarHBondContact N-O 3.48Å; K680-I686 HydrophobicContact CD-CD1 4.34Å; K680-I686 HydrophobicContact CG-CD1 4.24Å; N682-I686 WeakPolarHBondContact O-CG1 3.17Å; G683-I686 PolarHBondContact O-N 3.18Å |
| 687 | L | 92.3 | Very high | 91.8 | Very high | 78 Ų | 78 | 60.3 Ų | 60.3 | 41% | 0.408 | 32% | 0.316 | S | S | . | . | B | Isolated β-bridge | trans | -66.9 | 138 | 178 | -171.5 | 74.3 | 0 | 0 | 0 | 110.6 | E661 M662 Y663 T689 N692 | E661-L687 HydrophobicContact CG-CD1 3.76Å; M662-L687 WeakPolarHBondContact O-CD1 3.38Å; Y663-L687 HydrophobicContact CD1-CB 4.42Å; Y663-L687 HydrophobicContact CD1-CD1 4.42Å; Y663-L687 HydrophobicContact CE1-CB 4.2Å; Y663-L687 HydrophobicContact CE1-CD1 3.95Å; Y663-L687 HydrophobicContact CE2-CD1 4.43Å; L687-T689 HydrophobicContact CD2-CG2 4.49Å; L687-N692 PolarHBondContact O-ND2 3.15Å |
| 688 | V | 93.1 | Very high | 92.1 | Very high | 4 Ų | 4 | 61.8 Ų | 61.8 | 2% | 0.024 | 32% | 0.318 | C | S | . | . | trans | -79.4 | 124.4 | 170.7 | -172.6 | 0 | 0 | 0 | 0 | 108.6 | I655 M662 F664 N692 K693 Y696 | I655-V688 HydrophobicContact CD1-CB 4.28Å; I655-V688 HydrophobicContact CD1-CG1 3.7Å; M662-V688 HydrophobicContact CB-CB 3.97Å; M662-V688 HydrophobicContact CB-CG2 3.87Å; M662-V688 HydrophobicContact CE-CG1 4.37Å; M662-V688 PolarHBondContact O-N 2.94Å; F664-V688 HydrophobicContact CD2-CG2 3.9Å; F664-V688 HydrophobicContact CE2-CG2 3.98Å; V688-N692 VanDerWaalsContact CA-OD1 3.23Å; V688-N692 WeakPolarHBondContact CA-OD1 3.42Å; V688-K693 HydrophobicContact CG1-CB 3.93Å; V688-Y696 HydrophobicContact CG1-CD1 4.16Å; V688-Y696 HydrophobicContact CG1-CG 4.03Å; V688-Y696 HydrophobicContact CG2-CD1 4.2Å; V688-Y696 HydrophobicContact CG2-CD2 3.55Å; V688-Y696 HydrophobicContact CG2-CE2 3.98Å; V688-Y696 HydrophobicContact CG2-CG 3.67Å | ||
| 689 | T | 91.6 | Very high | 92.1 | Very high | 34 Ų | 34 | 59.9 Ų | 59.9 | 21% | 0.209 | 31% | 0.307 | C | S | . | . | trans | -121.8 | 169.6 | -179.4 | 64.6 | 0 | 0 | 0 | 0 | 109.9 | E656 L687 E691 N692 K693 | E656-T689 WeakPolarHBondContact OE1-CB 3.5Å; L687-T689 HydrophobicContact CD2-CG2 4.49Å; T689-E691 PolarHBondContact O-N 3.45Å; T689-N692 PolarHBondContact N-OD1 3.16Å; T689-N692 PolarHBondContact O-N 3.43Å; T689-N692 VanDerWaalsContact O-N 3.15Å; T689-N692 PolarHBondContact O-OD1 3.06Å; T689-N692 PolarHBondContact OG1-ND2 3.07Å; T689-K693 WeakPolarHBondContact O-CB 3.11Å; T689-K693 PolarHBondContact O-N 2.85Å | ||
| 690 | E | 90.3 | Very high | 92 | Very high | 57 Ų | 57 | 58.6 Ų | 58.6 | 27% | 0.266 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -32.8 | 176.3 | -76.7 | -64.5 | 114.2 | 0 | 0 | 112.7 | N654 I655 E656 K693 | N654-E690 WeakPolarHBondContact CA-OE1 3.46Å; N654-E690 WeakPolarHBondContact OD1-CG 3.29Å; I655-E690 WeakPolarHBondContact CG1-OE1 3.33Å; I655-E690 PolarHBondContact N-OE1 3.24Å; E656-E690 HydrophobicContact CG-CG 4.2Å; E656-E690 PolarHBondContact OE1-N 2.9Å; E690-K693 VanDerWaalsContact CD-NZ 3.25Å; E690-K693 WeakPolarHBondContact OE1-CD 3.04Å; E690-K693 IonicContact OE1-NZ 3.3Å; E690-K693 PolarHBondContact OE1-NZ 3.24Å; E690-K693 WeakPolarHBondContact OE2-CE 3.17Å; E690-K693 IonicContact OE2-NZ 3.1Å; E690-K693 PolarHBondContact OE2-NZ 2.97Å |
| 691 | E | 91.7 | Very high | 92 | Very high | 189 Ų | 189 | 56.6 Ų | 56.6 | 88% | 0.883 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -30.8 | 179.7 | -63 | -177.8 | 171.8 | 0 | 0 | 113.3 | T689 | T689-E691 PolarHBondContact O-N 3.45Š|
| 692 | N | 93.5 | Very high | 91.7 | Very high | 34 Ų | 34 | 55.2 Ų | 55.2 | 18% | 0.182 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -2.2 | -172.4 | 74.5 | 26 | 0 | 0 | 0 | 114.1 | F664 L687 V688 T689 E694 E695 Y696 | F664-N692 HydrophobicContact CE2-CB 4.34Å; F664-N692 HydrophobicContact CZ-CB 4.16Å; L687-N692 PolarHBondContact O-ND2 3.15Å; V688-N692 VanDerWaalsContact CA-OD1 3.23Å; V688-N692 WeakPolarHBondContact CA-OD1 3.42Å; T689-N692 PolarHBondContact N-OD1 3.16Å; T689-N692 PolarHBondContact O-N 3.43Å; T689-N692 VanDerWaalsContact O-N 3.15Å; T689-N692 PolarHBondContact O-OD1 3.06Å; T689-N692 PolarHBondContact OG1-ND2 3.07Å; N692-E694 VanDerWaalsContact C-N 3.28Å; N692-E694 PolarHBondContact O-N 3.48Å; N692-E695 WeakPolarHBondContact O-CB 3.44Å; N692-E695 PolarHBondContact O-N 3.45Å; N692-Y696 PolarHBondContact O-N 3.06Å; N692-Y696 VanDerWaalsContact O-N 3.16Å |
| 693 | K | 92.6 | Very high | 91.6 | Very high | 16 Ų | 16 | 51.2 Ų | 51.2 | 7% | 0.07 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.4 | -32.2 | -176.4 | 71.3 | -177.3 | -174.8 | -178 | 0 | 114.2 | K651 N653 I655 V688 T689 E690 E695 Y696 I697 | K651-K693 WeakPolarHBondContact O-CE 3.48Å; K651-K693 PolarHBondContact O-NZ 3.21Å; N653-K693 PolarHBondContact O-NZ 3.02Å; I655-K693 HydrophobicContact CD1-CB 4.19Å; V688-K693 HydrophobicContact CG1-CB 3.93Å; T689-K693 WeakPolarHBondContact O-CB 3.11Å; T689-K693 PolarHBondContact O-N 2.85Å; E690-K693 VanDerWaalsContact CD-NZ 3.25Å; E690-K693 WeakPolarHBondContact OE1-CD 3.04Å; E690-K693 IonicContact OE1-NZ 3.3Å; E690-K693 PolarHBondContact OE1-NZ 3.24Å; E690-K693 WeakPolarHBondContact OE2-CE 3.17Å; E690-K693 IonicContact OE2-NZ 3.1Å; E690-K693 PolarHBondContact OE2-NZ 2.97Å; K693-E695 VanDerWaalsContact C-N 3.33Å; K693-E695 PolarHBondContact O-N 3.03Å; K693-Y696 WeakPolarHBondContact O-CB 3.43Å; K693-Y696 PolarHBondContact O-N 2.91Å; K693-I697 WeakPolarHBondContact O-CB 3.17Å; K693-I697 WeakPolarHBondContact O-CD1 3.18Å; K693-I697 WeakPolarHBondContact O-CG1 3.27Å; K693-I697 PolarHBondContact O-N 2.95Å |
| 694 | E | 92.3 | Very high | 91.3 | Very high | 96 Ų | 96 | 53 Ų | 53 | 45% | 0.449 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.7 | -37.9 | 175.9 | -69.7 | -69.2 | 169.1 | 0 | 0 | 111.8 | K651 N692 R698 | K651-E694 WeakPolarHBondContact CE-OE1 3.44Å; K651-E694 WeakPolarHBondContact CE-OE2 3.39Å; K651-E694 WeakPolarHBondContact CG-OE1 3.39Å; N692-E694 VanDerWaalsContact C-N 3.28Å; N692-E694 PolarHBondContact O-N 3.48Å; E694-R698 WeakPolarHBondContact O-CB 3.31Å; E694-R698 PolarHBondContact O-N 3.3Å; E694-R698 VanDerWaalsContact O-N 3.08Å |
| 695 | E | 93.8 | Very high | 91.1 | Very high | 72 Ų | 72 | 52.5 Ų | 52.5 | 34% | 0.336 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.4 | -45.5 | 174.2 | -170.9 | -164.6 | -171.9 | 0 | 0 | 110.5 | F664 K680 N692 K693 R698 M699 | F664-E695 HydrophobicContact CE1-CB 4.18Å; F664-E695 HydrophobicContact CE1-CG 4.02Å; F664-E695 HydrophobicContact CZ-CB 4.25Å; F664-E695 HydrophobicContact CZ-CG 4.48Å; K680-E695 IonicContact NZ-OE1 3.68Å; K680-E695 IonicContact NZ-OE2 2.75Å; K680-E695 PolarHBondContact NZ-OE2 3.17Å; N692-E695 WeakPolarHBondContact O-CB 3.44Å; N692-E695 PolarHBondContact O-N 3.45Å; K693-E695 VanDerWaalsContact C-N 3.33Å; K693-E695 PolarHBondContact O-N 3.03Å; E695-R698 PolarHBondContact O-N 3.49Å; E695-M699 HydrophobicContact CG-CE 3.91Å; E695-M699 HydrophobicContact CG-SD 4.33Å; E695-M699 WeakPolarHBondContact O-CG 3.24Å; E695-M699 PolarHBondContact O-N 2.98Å; E695-M699 WeakPolarHBondContact OE1-CE 3.36Å |
| 696 | Y | 92.7 | Very high | 90.7 | Very high | 6 Ų | 6 | 47.7 Ų | 47.7 | 2% | 0.024 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.1 | -52.1 | 176.1 | 174.4 | -103.3 | 0 | 0 | 0 | 111.4 | M662 Y663 F664 L679 V688 N692 K693 R698 M699 V700 | M662-Y696 HydrophobicContact SD-CE1 4.42Å; Y663-Y696 WeakPolarHBondContact O-CE2 3.09Å; F664-Y696 HydrophobicContact CD1-CD2 4.25Å; F664-Y696 HydrophobicContact CG-CD2 4.24Å; L679-Y696 HydrophobicContact CD1-CD2 3.78Å; L679-Y696 HydrophobicContact CD1-CE2 3.68Å; V688-Y696 HydrophobicContact CG1-CD1 4.16Å; V688-Y696 HydrophobicContact CG1-CG 4.03Å; V688-Y696 HydrophobicContact CG2-CD1 4.2Å; V688-Y696 HydrophobicContact CG2-CD2 3.55Å; V688-Y696 HydrophobicContact CG2-CE2 3.98Å; V688-Y696 HydrophobicContact CG2-CG 3.67Å; N692-Y696 PolarHBondContact O-N 3.06Å; N692-Y696 VanDerWaalsContact O-N 3.16Å; K693-Y696 WeakPolarHBondContact O-CB 3.43Å; K693-Y696 PolarHBondContact O-N 2.91Å; Y696-R698 VanDerWaalsContact C-N 3.3Å; Y696-R698 PolarHBondContact O-N 3.49Å; Y696-M699 PolarHBondContact O-N 3.31Å; Y696-V700 HydrophobicContact CD1-CG2 4.18Å; Y696-V700 HydrophobicContact CD2-CG2 3.91Å; Y696-V700 HydrophobicContact CE1-CG2 3.82Å; Y696-V700 HydrophobicContact CE2-CG2 3.51Å; Y696-V700 HydrophobicContact CG-CG2 4.22Å; Y696-V700 VanDerWaalsContact CZ-CG2 3.48Å; Y696-V700 WeakPolarHBondContact O-CB 3.28Å; Y696-V700 VanDerWaalsContact O-CG2 3.28Å; Y696-V700 WeakPolarHBondContact O-CG2 3.17Å; Y696-V700 PolarHBondContact O-N 3.08Å |
| 697 | I | 92.4 | Very high | 90.2 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.015 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.4 | -45.2 | 179.6 | -70 | 159.2 | 0 | 0 | 0 | 110.9 | L633 L647 V650 K651 K693 A701 | L633-I697 HydrophobicContact CD1-CG2 3.96Å; L633-I697 HydrophobicContact CD2-CG2 3.74Å; L633-I697 HydrophobicContact CG-CG2 4.3Å; L647-I697 HydrophobicContact CB-CG2 4.29Å; L647-I697 HydrophobicContact CD1-CG2 4.46Å; V650-I697 HydrophobicContact CG1-CD1 4.14Å; V650-I697 HydrophobicContact CG1-CG1 4.19Å; K651-I697 HydrophobicContact CB-CD1 3.7Å; K651-I697 HydrophobicContact CG-CD1 4.03Å; K693-I697 WeakPolarHBondContact O-CB 3.17Å; K693-I697 WeakPolarHBondContact O-CD1 3.18Å; K693-I697 WeakPolarHBondContact O-CG1 3.27Å; K693-I697 PolarHBondContact O-N 2.95Å; I697-A701 WeakPolarHBondContact O-CB 3.46Å; I697-A701 PolarHBondContact O-N 3.44Å |
| 698 | R | 91.7 | Very high | 89.6 | Confident | 123 Ų | 123 | 45.5 Ų | 45.5 | 46% | 0.464 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.9 | -49.2 | 178.3 | -173.1 | -169.4 | 63.8 | 72 | 2 | 111.6 | E694 E695 Y696 A701 E702 | E694-R698 WeakPolarHBondContact O-CB 3.31Å; E694-R698 PolarHBondContact O-N 3.3Å; E694-R698 VanDerWaalsContact O-N 3.08Å; E695-R698 PolarHBondContact O-N 3.49Å; Y696-R698 VanDerWaalsContact C-N 3.3Å; Y696-R698 PolarHBondContact O-N 3.49Å; R698-A701 PolarHBondContact O-N 2.85Å; R698-E702 IonicContact NH1-OE2 3.34Å; R698-E702 PolarHBondContact NH1-OE2 3.05Å; R698-E702 WeakPolarHBondContact O-CB 3.34Å; R698-E702 PolarHBondContact O-N 3.5Å |
| 699 | M | 91.9 | Very high | 89.4 | Confident | 28 Ų | 28 | 45.6 Ų | 45.6 | 14% | 0.138 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.9 | -41 | -179.3 | -71.2 | -178.2 | 173.7 | 0 | 0 | 112.2 | F664 L679 K680 E695 Y696 E702 W703 | F664-M699 HydrophobicContact CD1-SD 3.92Å; F664-M699 HydrophobicContact CE1-SD 4.07Å; L679-M699 HydrophobicContact CB-CB 4.13Å; L679-M699 HydrophobicContact CB-SD 4.16Å; L679-M699 HydrophobicContact CD1-CB 4.24Å; L679-M699 HydrophobicContact CD2-CB 4.47Å; K680-M699 HydrophobicContact CB-CE 4.11Å; K680-M699 HydrophobicContact CB-SD 4.1Å; K680-M699 HydrophobicContact CD-CE 4.11Å; K680-M699 HydrophobicContact CD-SD 4.17Å; K680-M699 HydrophobicContact CG-SD 4.46Å; E695-M699 HydrophobicContact CG-CE 3.91Å; E695-M699 HydrophobicContact CG-SD 4.33Å; E695-M699 WeakPolarHBondContact O-CG 3.24Å; E695-M699 PolarHBondContact O-N 2.98Å; E695-M699 WeakPolarHBondContact OE1-CE 3.36Å; Y696-M699 PolarHBondContact O-N 3.31Å; M699-E702 PolarHBondContact O-N 3.09Å; M699-W703 VanDerWaalsContact O-CB 3.24Å; M699-W703 WeakPolarHBondContact O-CB 3.43Å; M699-W703 PolarHBondContact O-N 3.12Å |
| 700 | V | 90.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.7 | -43.3 | 176.9 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | F643 L647 V666 L679 Y696 W703 R704 | F643-V700 HydrophobicContact CE1-CG1 3.58Å; F643-V700 HydrophobicContact CZ-CG1 3.47Å; F643-V700 VanDerWaalsContact CZ-CG1 3.47Å; L647-V700 HydrophobicContact CD1-CB 4.49Å; L647-V700 HydrophobicContact CD1-CG1 4.14Å; L647-V700 HydrophobicContact CD2-CB 4.33Å; L647-V700 HydrophobicContact CD2-CG1 3.98Å; V666-V700 HydrophobicContact CG1-CG1 4.4Å; V666-V700 HydrophobicContact CG1-CG2 4Å; L679-V700 HydrophobicContact CD1-CG2 3.43Å; L679-V700 VanDerWaalsContact CD1-CG2 3.43Å; L679-V700 HydrophobicContact CD2-CG2 4.46Å; Y696-V700 HydrophobicContact CD1-CG2 4.18Å; Y696-V700 HydrophobicContact CD2-CG2 3.91Å; Y696-V700 HydrophobicContact CE1-CG2 3.82Å; Y696-V700 HydrophobicContact CE2-CG2 3.51Å; Y696-V700 HydrophobicContact CG-CG2 4.22Å; Y696-V700 VanDerWaalsContact CZ-CG2 3.48Å; Y696-V700 WeakPolarHBondContact O-CB 3.28Å; Y696-V700 VanDerWaalsContact O-CG2 3.28Å; Y696-V700 WeakPolarHBondContact O-CG2 3.17Å; Y696-V700 PolarHBondContact O-N 3.08Å; V700-W703 PolarHBondContact O-N 3.07Å; V700-R704 VanDerWaalsContact O-CB 3.25Å; V700-R704 WeakPolarHBondContact O-CB 3.34Å; V700-R704 PolarHBondContact O-N 3.22Å |
| 701 | A | 90.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.4 | -45.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L633 L636 L647 I697 R698 R704 L705 | L633-A701 HydrophobicContact CB-CB 4.4Å; L633-A701 HydrophobicContact CD1-CB 4.48Å; L636-A701 HydrophobicContact CD2-CB 4.3Å; L647-A701 HydrophobicContact CD1-CB 4.24Å; I697-A701 WeakPolarHBondContact O-CB 3.46Å; I697-A701 PolarHBondContact O-N 3.44Å; R698-A701 PolarHBondContact O-N 2.85Å; A701-R704 PolarHBondContact O-N 2.8Å; A701-L705 WeakPolarHBondContact O-CG 3.5Å; A701-L705 PolarHBondContact O-N 3.06Å; A701-L705 VanDerWaalsContact O-N 3.11Å |
| 702 | E | 88.3 | Confident | 89.3 | Confident | 91 Ų | 91 | 43.8 Ų | 43.8 | 43% | 0.425 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.6 | -47.1 | 176.7 | -176.5 | 174.6 | -174.9 | 0 | 0 | 111.5 | R698 M699 L705 S706 | R698-E702 IonicContact NH1-OE2 3.34Å; R698-E702 PolarHBondContact NH1-OE2 3.05Å; R698-E702 WeakPolarHBondContact O-CB 3.34Å; R698-E702 PolarHBondContact O-N 3.5Å; M699-E702 PolarHBondContact O-N 3.09Å; E702-L705 PolarHBondContact O-N 3.45Å; E702-S706 WeakPolarHBondContact O-CB 3.44Å; E702-S706 PolarHBondContact O-N 3.22Å; E702-S706 PolarHBondContact O-OG 3.01Å; E702-S706 VanDerWaalsContact O-OG 3.14Å |
| 703 | W | 88 | Confident | 89.2 | Confident | 31 Ų | 31 | 43.2 Ų | 43.2 | 12% | 0.117 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.8 | -46.5 | 175.7 | 176.4 | 88.6 | 0 | 0 | 0 | 112 | V666 K668 H677 L679 M699 V700 L705 S706 R707 | V666-W703 HydrophobicContact CB-CE3 4.36Å; V666-W703 HydrophobicContact CB-CH2 4.09Å; V666-W703 HydrophobicContact CB-CZ2 4.43Å; V666-W703 HydrophobicContact CB-CZ3 4.07Å; V666-W703 HydrophobicContact CG2-CD2 3.6Å; V666-W703 VanDerWaalsContact CG2-CE2 3.47Å; V666-W703 HydrophobicContact CG2-CE3 3.77Å; V666-W703 HydrophobicContact CG2-CG 4.23Å; V666-W703 HydrophobicContact CG2-CH2 3.66Å; V666-W703 HydrophobicContact CG2-CZ2 3.53Å; V666-W703 HydrophobicContact CG2-CZ3 3.79Å; K668-W703 HydrophobicContact CB-CH2 4.22Å; K668-W703 HydrophobicContact CB-CZ2 4Å; K668-W703 HydrophobicContact CD-CZ2 4.23Å; K668-W703 HydrophobicContact CG-CZ2 4.36Å; H677-W703 AromaticContact CE1-CD1 3.75Å; H677-W703 AromaticContact CE1-NE1 3.81Å; H677-W703 AromaticContact CG-NE1 3.7Å; H677-W703 AromaticContact ND1-CD1 3.74Å; H677-W703 AromaticContact ND1-NE1 3.51Å; L679-W703 HydrophobicContact CD2-CB 3.93Å; L679-W703 HydrophobicContact CD2-CG 4.11Å; M699-W703 VanDerWaalsContact O-CB 3.24Å; M699-W703 WeakPolarHBondContact O-CB 3.43Å; M699-W703 PolarHBondContact O-N 3.12Å; V700-W703 PolarHBondContact O-N 3.07Å; W703-L705 VanDerWaalsContact C-N 3.27Å; W703-L705 PolarHBondContact O-N 3.27Å; W703-S706 PolarHBondContact O-N 3.29Å; W703-R707 HydrophobicContact CD2-CB 4.39Å; W703-R707 HydrophobicContact CZ2-CB 4.43Å; W703-R707 VanDerWaalsContact O-CB 3.24Å; W703-R707 WeakPolarHBondContact O-CB 3.28Å; W703-R707 PolarHBondContact O-N 3.23Å |
| 704 | R | 85.7 | Confident | 89.2 | Confident | 37 Ų | 37 | 47.3 Ų | 47.3 | 14% | 0.14 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.4 | -37.1 | -176.9 | 178.2 | 61.6 | -174 | 98.4 | -3.8 | 112.2 | L636 D640 F643 V700 A701 | L636-R704 HydrophobicContact CD1-CB 4.26Å; L636-R704 HydrophobicContact CD1-CG 3.6Å; L636-R704 HydrophobicContact CD2-CG 4.41Å; D640-R704 IonicContact OD2-CZ 2.95Å; D640-R704 IonicContact OD2-NE 2.71Å; D640-R704 PolarHBondContact OD2-NE 3.23Å; D640-R704 VanDerWaalsContact OD2-NE 3.1Å; D640-R704 IonicContact OD2-NH2 3.92Å; D640-R704 PolarHBondContact OD2-NH2 2.77Å; F643-R704 HydrophobicContact CD1-CG 4Å; F643-R704 HydrophobicContact CE1-CB 3.91Å; F643-R704 HydrophobicContact CE1-CG 3.85Å; F643-R704 HydrophobicContact CZ-CB 4.37Å; F643-R704 HydrophobicContact CZ-CG 4.33Å; V700-R704 VanDerWaalsContact O-CB 3.25Å; V700-R704 WeakPolarHBondContact O-CB 3.34Å; V700-R704 PolarHBondContact O-N 3.22Å; A701-R704 PolarHBondContact O-N 2.8Å |
| 705 | L | 84.8 | Confident | 89.4 | Confident | 15 Ų | 15 | 43.1 Ų | 43.1 | 8% | 0.079 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -73.5 | -40.5 | 177.3 | -69.8 | 170 | 0 | 0 | 0 | 110.7 | P621 R625 V631 D635 L636 I639 A701 E702 W703 | P621-L705 HydrophobicContact CB-CD2 4.36Å; P621-L705 HydrophobicContact CG-CD2 4.12Å; R625-L705 PolarHBondContact NH2-O 3.41Å; V631-L705 HydrophobicContact CB-CD1 3.77Å; V631-L705 HydrophobicContact CG2-CB 4.1Å; V631-L705 HydrophobicContact CG2-CD1 3.84Å; D635-L705 HydrophobicContact CB-CD1 4.09Å; L636-L705 HydrophobicContact CD1-CD2 3.89Å; L636-L705 HydrophobicContact CD1-CG 4.13Å; I639-L705 HydrophobicContact CB-CD2 4.24Å; I639-L705 HydrophobicContact CG1-CD2 3.94Å; I639-L705 HydrophobicContact CG2-CD2 4.37Å; A701-L705 WeakPolarHBondContact O-CG 3.5Å; A701-L705 PolarHBondContact O-N 3.06Å; A701-L705 VanDerWaalsContact O-N 3.11Å; E702-L705 PolarHBondContact O-N 3.45Å; W703-L705 VanDerWaalsContact C-N 3.27Å; W703-L705 PolarHBondContact O-N 3.27Å |
| 706 | S | 83.9 | Confident | 89.4 | Confident | 34 Ų | 34 | 39.8 Ų | 39.8 | 24% | 0.238 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -91.7 | -20.3 | -170.2 | -59.3 | 0 | 0 | 0 | 0 | 115.4 | R625 E702 W703 G708 V709 | R625-S706 PolarHBondContact NH2-OG 3.19Å; E702-S706 WeakPolarHBondContact O-CB 3.44Å; E702-S706 PolarHBondContact O-N 3.22Å; E702-S706 PolarHBondContact O-OG 3.01Å; E702-S706 VanDerWaalsContact O-OG 3.14Å; W703-S706 PolarHBondContact O-N 3.29Å; S706-G708 PolarHBondContact O-N 3.19Å; S706-V709 WeakPolarHBondContact O-CG2 3.45Å; S706-V709 PolarHBondContact O-N 3.11Å |
| 707 | R | 82.8 | Confident | 89.4 | Confident | 67 Ų | 67 | 40.7 Ų | 40.7 | 25% | 0.253 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 126 | -172.3 | 67.2 | -176 | -167 | 176.7 | 4.1 | 113.5 | W703 V709 | W703-R707 HydrophobicContact CD2-CB 4.39Å; W703-R707 HydrophobicContact CZ2-CB 4.43Å; W703-R707 VanDerWaalsContact O-CB 3.24Å; W703-R707 WeakPolarHBondContact O-CB 3.28Å; W703-R707 PolarHBondContact O-N 3.23Å; R707-V709 PolarHBondContact O-N 2.89Å |
| 708 | G | 80.4 | Confident | 89.5 | Confident | 18 Ų | 18 | 44.7 Ų | 44.7 | 19% | 0.186 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 11.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115 | P585 S706 E710 Q712 | P585-G708 VanDerWaalsContact CA-O 3.32Å; P585-G708 WeakPolarHBondContact CA-O 3.42Å; S706-G708 PolarHBondContact O-N 3.19Å; G708-E710 WeakPolarHBondContact CA-OE2 3.46Å; G708-E710 PolarHBondContact N-OE1 2.98Å; G708-E710 PolarHBondContact N-OE2 3.4Å; G708-Q712 PolarHBondContact O-NE2 3.34Å; G708-Q712 PolarHBondContact O-OE1 3.19Å |
| 709 | V | 88.2 | Confident | 89.6 | Confident | 7 Ų | 7 | 38.9 Ų | 38.9 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | trans | -123.3 | 6.6 | 179 | -59.1 | 0 | 0 | 0 | 0 | 112.8 | I583 P585 S706 R707 Q712 T713 | I583-V709 HydrophobicContact CB-CB 4.07Å; I583-V709 HydrophobicContact CB-CG1 3.8Å; I583-V709 HydrophobicContact CD1-CB 4.44Å; I583-V709 HydrophobicContact CG2-CB 3.83Å; I583-V709 HydrophobicContact CG2-CG1 3.59Å; P585-V709 HydrophobicContact CB-CG1 4.26Å; P585-V709 HydrophobicContact CG-CG1 3.95Å; S706-V709 WeakPolarHBondContact O-CG2 3.45Å; S706-V709 PolarHBondContact O-N 3.11Å; R707-V709 PolarHBondContact O-N 2.89Å; V709-Q712 PolarHBondContact O-OE1 3.4Å; V709-T713 WeakPolarHBondContact O-CB 3.38Å; V709-T713 PolarHBondContact O-N 3.4Å; V709-T713 PolarHBondContact O-OG1 2.77Å | ||
| 710 | E | 87.8 | Confident | 89.8 | Confident | 105 Ų | 105 | 37.6 Ų | 37.6 | 49% | 0.491 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -64.7 | -49.6 | -172.3 | -61.1 | 86.7 | 164.8 | 0 | 0 | 111.8 | G708 Q712 T713 Q714 | G708-E710 WeakPolarHBondContact CA-OE2 3.46Å; G708-E710 PolarHBondContact N-OE1 2.98Å; G708-E710 PolarHBondContact N-OE2 3.4Å; E710-Q712 PolarHBondContact O-N 3.33Å; E710-T713 PolarHBondContact O-N 2.77Å; E710-Q714 WeakPolarHBondContact O-CB 3.47Å; E710-Q714 PolarHBondContact O-N 3.23Å |
| 711 | E | 91.7 | Very high | 89.9 | Confident | 129 Ų | 129 | 40.3 Ų | 40.3 | 60% | 0.603 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -66.2 | -39.1 | 180 | -63.8 | -175.7 | 171.6 | 0 | 0 | 112 | L594 Q714 A715 | L594-E711 HydrophobicContact CD2-CB 3.9Å; E711-Q714 PolarHBondContact O-N 2.93Å; E711-A715 WeakPolarHBondContact O-CB 3.5Å; E711-A715 PolarHBondContact O-N 3.18Å |
| 712 | Q | 93 | Very high | 90 | Very high | 8 Ų | 8 | 42.3 Ų | 42.3 | 4% | 0.037 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.9 | -44.8 | 176.7 | -60.6 | 90.2 | -31.9 | 0 | 0 | 110.8 | I583 S587 L594 F597 G708 V709 E710 A715 F716 | I583-Q712 HydrophobicContact CD1-CB 4.22Å; I583-Q712 HydrophobicContact CG2-CB 3.72Å; I583-Q712 HydrophobicContact CG2-CG 3.91Å; S587-Q712 WeakPolarHBondContact OG-CG 3.43Å; S587-Q712 PolarHBondContact OG-NE2 3.26Å; L594-Q712 HydrophobicContact CD2-CG 4.41Å; F597-Q712 HydrophobicContact CD1-CB 4.36Å; F597-Q712 HydrophobicContact CD2-CB 3.57Å; F597-Q712 HydrophobicContact CD2-CG 3.68Å; F597-Q712 HydrophobicContact CE1-CB 4.34Å; F597-Q712 HydrophobicContact CE2-CB 3.57Å; F597-Q712 HydrophobicContact CE2-CG 3.37Å; F597-Q712 HydrophobicContact CG-CB 4.01Å; F597-Q712 HydrophobicContact CZ-CB 3.97Å; F597-Q712 HydrophobicContact CZ-CG 4.05Å; G708-Q712 PolarHBondContact O-NE2 3.34Å; G708-Q712 PolarHBondContact O-OE1 3.19Å; V709-Q712 PolarHBondContact O-OE1 3.4Å; E710-Q712 PolarHBondContact O-N 3.33Å; Q712-A715 PolarHBondContact O-N 3.41Å; Q712-F716 WeakPolarHBondContact O-CB 3.44Å; Q712-F716 PolarHBondContact O-N 2.97Å |
| 713 | T | 90.6 | Very high | 90.3 | Very high | 21 Ų | 21 | 38 Ų | 38 | 13% | 0.129 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.4 | -45.8 | 176.8 | -63.3 | 0 | 0 | 0 | 0 | 110.1 | I583 V709 E710 F716 F717 | I583-T713 WeakPolarHBondContact CD1-OG1 3.37Å; V709-T713 WeakPolarHBondContact O-CB 3.38Å; V709-T713 PolarHBondContact O-N 3.4Å; V709-T713 PolarHBondContact O-OG1 2.77Å; E710-T713 PolarHBondContact O-N 2.77Å; T713-F716 WeakPolarHBondContact O-CB 3.42Å; T713-F716 PolarHBondContact O-N 3.43Å; T713-F717 HydrophobicContact CG2-CD2 3.71Å; T713-F717 HydrophobicContact CG2-CE2 3.33Å; T713-F717 HydrophobicContact CG2-CZ 4.47Å; T713-F717 WeakPolarHBondContact O-CD2 3.47Å; T713-F717 PolarHBondContact O-N 2.91Å |
| 714 | Q | 92.3 | Very high | 90.4 | Very high | 103 Ų | 103 | 36.5 Ų | 36.5 | 48% | 0.481 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.1 | -47.1 | 176.7 | 179.1 | 58.4 | 26.4 | 0 | 0 | 112.2 | E710 E711 F716 F717 E718 | E710-Q714 WeakPolarHBondContact O-CB 3.47Å; E710-Q714 PolarHBondContact O-N 3.23Å; E711-Q714 PolarHBondContact O-N 2.93Å; Q714-F716 VanDerWaalsContact C-N 3.3Å; Q714-F716 PolarHBondContact O-N 3.38Å; Q714-F717 WeakPolarHBondContact O-CB 3.14Å; Q714-F717 PolarHBondContact O-N 2.88Å; Q714-E718 PolarHBondContact NE2-OE1 3.14Å; Q714-E718 WeakPolarHBondContact O-CG 3.38Å; Q714-E718 PolarHBondContact O-N 3.16Å |
| 715 | A | 96.3 | Very high | 90.5 | Very high | 8 Ų | 8 | 36.4 Ų | 36.4 | 7% | 0.066 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.2 | -40.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | L594 F597 R598 E711 Q712 E718 G719 | L594-A715 HydrophobicContact CB-CB 4.09Å; L594-A715 HydrophobicContact CD2-CB 4.2Å; L594-A715 WeakPolarHBondContact O-CB 3.14Å; F597-A715 HydrophobicContact CB-CB 4.05Å; R598-A715 WeakPolarHBondContact CA-O 3.39Å; R598-A715 WeakPolarHBondContact CB-O 3.35Å; E711-A715 WeakPolarHBondContact O-CB 3.5Å; E711-A715 PolarHBondContact O-N 3.18Å; Q712-A715 PolarHBondContact O-N 3.41Å; A715-E718 PolarHBondContact O-N 2.79Å; A715-G719 PolarHBondContact O-N 3.14Å |
| 716 | F | 94.8 | Very high | 90.3 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.009 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.4 | -46.6 | 171 | 173.4 | -82.2 | 0 | 0 | 0 | 111.4 | F597 I600 G601 I604 F622 I626 Q712 T713 Q714 E718 G719 F720 | F597-F716 HydrophobicContact CB-CB 4.35Å; F597-F716 WeakPolarHBondContact O-CA 3.26Å; I600-F716 HydrophobicContact CB-CD2 4.41Å; I600-F716 HydrophobicContact CG2-CD2 4.04Å; I600-F716 HydrophobicContact CG2-CE2 3.93Å; G601-F716 WeakPolarHBondContact CA-O 3.41Å; I604-F716 HydrophobicContact CB-CE2 4.36Å; I604-F716 HydrophobicContact CB-CZ 4.26Å; I604-F716 HydrophobicContact CG1-CE2 4.02Å; I604-F716 HydrophobicContact CG1-CZ 4.31Å; I604-F716 HydrophobicContact CG2-CZ 4.34Å; F622-F716 HydrophobicContact CE1-CE2 4.28Å; F622-F716 HydrophobicContact CE1-CZ 4.13Å; F622-F716 HydrophobicContact CZ-CD2 4.05Å; F622-F716 HydrophobicContact CZ-CE1 4.31Å; F622-F716 AromaticContact CZ-CE2 3.73Å; F622-F716 HydrophobicContact CZ-CE2 3.73Å; F622-F716 HydrophobicContact CZ-CG 4.45Å; F622-F716 AromaticContact CZ-CZ 3.89Å; F622-F716 HydrophobicContact CZ-CZ 3.89Å; I626-F716 HydrophobicContact CD1-CE1 3.96Å; I626-F716 HydrophobicContact CD1-CZ 3.85Å; I626-F716 HydrophobicContact CG1-CE1 3.8Å; I626-F716 HydrophobicContact CG1-CZ 4.22Å; Q712-F716 WeakPolarHBondContact O-CB 3.44Å; Q712-F716 PolarHBondContact O-N 2.97Å; T713-F716 WeakPolarHBondContact O-CB 3.42Å; T713-F716 PolarHBondContact O-N 3.43Å; Q714-F716 VanDerWaalsContact C-N 3.3Å; Q714-F716 PolarHBondContact O-N 3.38Å; F716-E718 PolarHBondContact O-N 2.82Å; F716-G719 PolarHBondContact O-N 3.11Å; F716-F720 HydrophobicContact CE1-CB 4.26Å; F716-F720 HydrophobicContact CE1-CD2 4.25Å; F716-F720 HydrophobicContact CZ-CD2 4.25Å; F716-F720 WeakPolarHBondContact O-CB 3.47Å; F716-F720 PolarHBondContact O-N 3.03Å |
| 717 | F | 91.6 | Very high | 90 | Very high | 25 Ų | 25 | 39.8 Ų | 39.8 | 11% | 0.11 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.2 | -40.4 | 179.4 | -83.7 | -57.9 | 0 | 0 | 0 | 114.1 | R625 I626 T713 Q714 G719 F720 N721 | R625-F717 HydrophobicContact CB-CE2 4.3Å; R625-F717 HydrophobicContact CB-CZ 4.09Å; R625-F717 WeakPolarHBondContact O-CZ 3.44Å; I626-F717 HydrophobicContact CB-CE1 4.44Å; I626-F717 HydrophobicContact CG1-CE1 4.5Å; I626-F717 HydrophobicContact CG1-CZ 4.47Å; T713-F717 HydrophobicContact CG2-CD2 3.71Å; T713-F717 HydrophobicContact CG2-CE2 3.33Å; T713-F717 HydrophobicContact CG2-CZ 4.47Å; T713-F717 WeakPolarHBondContact O-CD2 3.47Å; T713-F717 PolarHBondContact O-N 2.91Å; Q714-F717 WeakPolarHBondContact O-CB 3.14Å; Q714-F717 PolarHBondContact O-N 2.88Å; F717-G719 VanDerWaalsContact C-N 3.32Å; F717-G719 PolarHBondContact O-N 2.96Å; F717-F720 PolarHBondContact O-N 3.07Å; F717-N721 VanDerWaalsContact O-CB 3.29Å; F717-N721 WeakPolarHBondContact O-CB 3.4Å; F717-N721 PolarHBondContact O-N 2.71Å; F717-N721 PolarHBondContact O-ND2 2.75Å; F717-N721 VanDerWaalsContact O-ND2 3.17Å |
| 718 | E | 94 | Very high | 90 | Very high | 87 Ų | 87 | 38 Ų | 38 | 41% | 0.407 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -57.9 | -48.8 | 174.9 | -72.5 | 171.2 | -169.1 | 0 | 0 | 110.3 | Q714 A715 F716 F720 E722 | Q714-E718 PolarHBondContact NE2-OE1 3.14Å; Q714-E718 WeakPolarHBondContact O-CG 3.38Å; Q714-E718 PolarHBondContact O-N 3.16Å; A715-E718 PolarHBondContact O-N 2.79Å; F716-E718 PolarHBondContact O-N 2.82Å; E718-F720 PolarHBondContact O-N 2.73Å; E718-E722 WeakPolarHBondContact O-CG 3.37Å; E718-E722 PolarHBondContact O-N 3.07Å |
| 719 | G | 95.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.7 | -39.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R598 R602 A715 F716 F717 | R598-G719 WeakPolarHBondContact O-CA 3.34Å; R602-G719 WeakPolarHBondContact CA-O 3.39Å; R602-G719 VanDerWaalsContact CG-O 3.29Å; R602-G719 WeakPolarHBondContact CG-O 3.19Å; R602-G719 PolarHBondContact N-O 3.32Å; A715-G719 PolarHBondContact O-N 3.14Å; F716-G719 PolarHBondContact O-N 3.11Å; F717-G719 VanDerWaalsContact C-N 3.32Å; F717-G719 PolarHBondContact O-N 2.96Å |
| 720 | F | 94.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66 | -52.3 | 179 | -175 | -83 | 0 | 0 | 0 | 111.6 | G601 I604 A605 L608 I626 F716 F717 E718 E722 I723 L724 V729 | G601-F720 WeakPolarHBondContact O-CA 3.41Å; I604-F720 HydrophobicContact CG2-CD2 4.27Å; I604-F720 HydrophobicContact CG2-CE2 4.07Å; A605-F720 HydrophobicContact CB-CD2 3.8Å; A605-F720 HydrophobicContact CB-CE2 4.14Å; A605-F720 HydrophobicContact CB-CG 4.08Å; A605-F720 WeakPolarHBondContact CB-O 3.42Å; L608-F720 HydrophobicContact CD1-CE2 3.64Å; L608-F720 HydrophobicContact CD1-CZ 3.64Å; I626-F720 HydrophobicContact CG2-CE1 4.46Å; I626-F720 HydrophobicContact CG2-CE2 4.15Å; I626-F720 HydrophobicContact CG2-CZ 4.02Å; F716-F720 HydrophobicContact CE1-CB 4.26Å; F716-F720 HydrophobicContact CE1-CD2 4.25Å; F716-F720 HydrophobicContact CZ-CD2 4.25Å; F716-F720 WeakPolarHBondContact O-CB 3.47Å; F716-F720 PolarHBondContact O-N 3.03Å; F717-F720 PolarHBondContact O-N 3.07Å; E718-F720 PolarHBondContact O-N 2.73Å; F720-E722 VanDerWaalsContact C-N 3.27Å; F720-E722 PolarHBondContact O-N 2.85Å; F720-I723 PolarHBondContact O-N 3.2Å; F720-I723 VanDerWaalsContact O-N 3.15Å; F720-L724 WeakPolarHBondContact CD1-O 3.42Å; F720-L724 HydrophobicContact CE1-CB 4.37Å; F720-L724 HydrophobicContact CE1-CD2 4.41Å; F720-L724 HydrophobicContact CE1-CG 4.46Å; F720-L724 VanDerWaalsContact CE1-O 3.31Å; F720-L724 WeakPolarHBondContact CE1-O 3.4Å; F720-L724 HydrophobicContact CZ-CD2 4.05Å; F720-L724 PolarHBondContact O-N 3.39Å; F720-V729 HydrophobicContact CE1-CG2 4.14Å; F720-V729 HydrophobicContact CZ-CG1 4.48Å; F720-V729 HydrophobicContact CZ-CG2 4.29Å |
| 721 | N | 92.2 | Very high | 89.1 | Confident | 57 Ų | 57 | 35.9 Ų | 35.9 | 31% | 0.305 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -67.9 | -24.4 | -174.5 | -78.1 | -43.6 | 0 | 0 | 0 | 113.6 | F717 I723 Q726 | F717-N721 VanDerWaalsContact O-CB 3.29Å; F717-N721 WeakPolarHBondContact O-CB 3.4Å; F717-N721 PolarHBondContact O-N 2.71Å; F717-N721 PolarHBondContact O-ND2 2.75Å; F717-N721 VanDerWaalsContact O-ND2 3.17Å; N721-I723 PolarHBondContact O-N 2.94Å; N721-Q726 WeakPolarHBondContact OD1-CB 3.5Å; N721-Q726 PolarHBondContact OD1-N 3.34Å |
| 722 | E | 94 | Very high | 88.7 | Confident | 42 Ų | 42 | 29.7 Ų | 29.7 | 20% | 0.196 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.1 | -37.7 | 172.2 | -83.1 | 169.4 | -166.7 | 0 | 0 | 112.6 | P529 R533 R598 R602 E718 F720 | P529-E722 HydrophobicContact CB-CB 3.97Å; P529-E722 WeakPolarHBondContact CB-O 3.46Å; P529-E722 HydrophobicContact CG-CB 3.96Å; P529-E722 HydrophobicContact CG-CG 4.15Å; R533-E722 PolarHBondContact NH2-O 3.45Å; R598-E722 IonicContact CZ-OE1 3.14Å; R598-E722 IonicContact NE-OE1 3.85Å; R598-E722 PolarHBondContact NE-OE1 2.69Å; R598-E722 IonicContact NE-OE2 2.75Å; R598-E722 IonicContact NH2-OE1 3.1Å; R598-E722 PolarHBondContact NH2-OE1 3Å; R598-E722 IonicContact NH2-OE2 3.59Å; R602-E722 IonicContact CZ-OE2 3.35Å; R602-E722 IonicContact NE-OE2 2.69Å; R602-E722 PolarHBondContact NE-OE2 2.86Å; R602-E722 IonicContact NH2-OE2 3.11Å; R602-E722 PolarHBondContact NH2-OE2 2.96Å; E718-E722 WeakPolarHBondContact O-CG 3.37Å; E718-E722 PolarHBondContact O-N 3.07Å; F720-E722 VanDerWaalsContact C-N 3.27Å; F720-E722 PolarHBondContact O-N 2.85Å |
| 723 | I | 93.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -99.6 | -48.5 | -176 | -58.2 | 178.8 | 0 | 0 | 0 | 110.5 | L532 R533 R602 A605 M606 F720 N721 | L532-I723 HydrophobicContact CB-CD1 3.85Å; L532-I723 HydrophobicContact CB-CG1 4.31Å; L532-I723 HydrophobicContact CD1-CD1 3.47Å; L532-I723 VanDerWaalsContact CD1-CD1 3.47Å; L532-I723 HydrophobicContact CD1-CG1 4.18Å; L532-I723 HydrophobicContact CG-CD1 4.3Å; R533-I723 HydrophobicContact CG-CG2 4.22Å; R533-I723 PolarHBondContact NE-O 3.38Å; R533-I723 PolarHBondContact NH2-O 2.91Å; R602-I723 HydrophobicContact CB-CD1 3.7Å; R602-I723 HydrophobicContact CG-CD1 3.89Å; R602-I723 HydrophobicContact CG-CG1 4.44Å; R602-I723 WeakPolarHBondContact O-CD1 3.2Å; A605-I723 HydrophobicContact CB-CB 3.85Å; A605-I723 HydrophobicContact CB-CG2 4.23Å; M606-I723 HydrophobicContact CG-CD1 3.57Å; M606-I723 HydrophobicContact SD-CD1 4.24Å; F720-I723 PolarHBondContact O-N 3.2Å; F720-I723 VanDerWaalsContact O-N 3.15Å; N721-I723 PolarHBondContact O-N 2.94Å |
| 724 | L | 90.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -127.9 | 99.5 | -176 | -176.5 | 64.4 | 0 | 0 | 0 | 109.5 | F494 A605 L608 F609 F720 Q726 Y728 V729 | F494-L724 HydrophobicContact CE2-CD1 3.93Å; F494-L724 HydrophobicContact CE2-CD2 3.79Å; F494-L724 HydrophobicContact CE2-CG 4.4Å; F494-L724 HydrophobicContact CZ-CD1 4.24Å; F494-L724 HydrophobicContact CZ-CD2 3.66Å; A605-L724 HydrophobicContact CB-CB 3.97Å; L608-L724 HydrophobicContact CB-CD2 3.72Å; L608-L724 HydrophobicContact CD1-CD2 3.93Å; L608-L724 HydrophobicContact CG-CD2 4.49Å; F609-L724 HydrophobicContact CD2-CD1 4.38Å; F720-L724 WeakPolarHBondContact CD1-O 3.42Å; F720-L724 HydrophobicContact CE1-CB 4.37Å; F720-L724 HydrophobicContact CE1-CD2 4.41Å; F720-L724 HydrophobicContact CE1-CG 4.46Å; F720-L724 VanDerWaalsContact CE1-O 3.31Å; F720-L724 WeakPolarHBondContact CE1-O 3.4Å; F720-L724 HydrophobicContact CZ-CD2 4.05Å; F720-L724 PolarHBondContact O-N 3.39Å; L724-Q726 PolarHBondContact O-N 3.05Å; L724-Y728 HydrophobicContact CD1-CD2 4.33Å; L724-V729 HydrophobicContact CD2-CG1 3.83Å; L724-V729 HydrophobicContact CG-CG1 4.44Å |
| 725 | P | 86.3 | Confident | 87.4 | Confident | 36 Ų | 36 | 25.4 Ų | 25.4 | 23% | 0.234 | 12% | 0.123 | C | C | . | . | trans | -56.7 | 134.9 | 177.6 | -27.5 | 35.8 | 0 | 0 | 0 | 112.1 | Q727 Y728 | P725-Q727 HydrophobicContact CB-CG 4.12Å; P725-Q727 PolarHBondContact O-N 2.81Å; P725-Y728 HydrophobicContact CB-CD2 3.99Å; P725-Y728 HydrophobicContact CB-CE2 4.03Å; P725-Y728 HydrophobicContact CG-CD2 4.24Å; P725-Y728 HydrophobicContact CG-CE2 4.01Å; P725-Y728 WeakPolarHBondContact O-CD2 3.27Å; P725-Y728 PolarHBondContact O-N 3.21Å | ||
| 726 | Q | 80.4 | Confident | 86.9 | Confident | 42 Ų | 42 | 25.2 Ų | 25.2 | 20% | 0.196 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -52.1 | -31.2 | -176.2 | -172.8 | 172.4 | 33.6 | 0 | 0 | 114.7 | I626 L627 S628 N721 L724 Y728 V729 Q730 | I626-Q726 PolarHBondContact O-NE2 2.9Å; L627-Q726 VanDerWaalsContact C-NE2 3.29Å; S628-Q726 VanDerWaalsContact CB-NE2 3.28Å; S628-Q726 PolarHBondContact OG-NE2 3.33Å; S628-Q726 PolarHBondContact OG-OE1 3.12Å; N721-Q726 WeakPolarHBondContact OD1-CB 3.5Å; N721-Q726 PolarHBondContact OD1-N 3.34Å; L724-Q726 PolarHBondContact O-N 3.05Å; Q726-Y728 PolarHBondContact O-N 3.38Å; Q726-V729 HydrophobicContact CG-CG2 4.29Å; Q726-V729 WeakPolarHBondContact O-CG2 3.2Å; Q726-V729 PolarHBondContact O-N 2.84Å; Q726-Q730 PolarHBondContact O-N 2.93Å |
| 727 | Q | 78 | Confident | 86.6 | Confident | 77 Ų | 77 | 25.1 Ų | 25.1 | 36% | 0.36 | 12% | 0.121 | S | C | . | . | G | 310 helix | trans | -55.1 | -26.5 | 178.4 | 68.7 | -173.6 | 17.3 | 0 | 0 | 114 | P725 V729 | P725-Q727 HydrophobicContact CB-CG 4.12Å; P725-Q727 PolarHBondContact O-N 2.81Å; Q727-V729 VanDerWaalsContact C-N 3.33Å |
| 728 | Y | 82.9 | Confident | 86.5 | Confident | 30 Ų | 30 | 24.1 Ų | 24.1 | 12% | 0.118 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -82.7 | -11.7 | 178.7 | -62.3 | -64.4 | 0 | 0 | 0 | 113.5 | F494 W497 L501 L724 P725 Q726 Y731 | F494-Y728 WeakPolarHBondContact CD2-O 3.21Å; W497-Y728 HydrophobicContact CB-CD1 3.79Å; W497-Y728 HydrophobicContact CB-CE1 3.89Å; W497-Y728 HydrophobicContact CD2-CD1 4.13Å; W497-Y728 AromaticContact CD2-CE1 3.48Å; W497-Y728 HydrophobicContact CD2-CE1 3.48Å; W497-Y728 VanDerWaalsContact CD2-CE1 3.48Å; W497-Y728 AromaticContact CE3-CE1 3.64Å; W497-Y728 HydrophobicContact CE3-CE1 3.64Å; W497-Y728 AromaticContact CG-CD1 3.73Å; W497-Y728 HydrophobicContact CG-CD1 3.73Å; W497-Y728 AromaticContact CG-CE1 3.6Å; W497-Y728 HydrophobicContact CG-CE1 3.6Å; W497-Y728 HydrophobicContact CZ3-CE1 4.36Å; L501-Y728 HydrophobicContact CD1-CD2 4.17Å; L501-Y728 HydrophobicContact CD1-CE2 3.57Å; L724-Y728 HydrophobicContact CD1-CD2 4.33Å; P725-Y728 HydrophobicContact CB-CD2 3.99Å; P725-Y728 HydrophobicContact CB-CE2 4.03Å; P725-Y728 HydrophobicContact CG-CD2 4.24Å; P725-Y728 HydrophobicContact CG-CE2 4.01Å; P725-Y728 WeakPolarHBondContact O-CD2 3.27Å; P725-Y728 PolarHBondContact O-N 3.21Å; Q726-Y728 PolarHBondContact O-N 3.38Å; Y728-Y731 WeakPolarHBondContact O-CE1 3.39Å; Y728-Y731 VanDerWaalsContact O-CZ 3.3Å; Y728-Y731 PolarHBondContact O-OH 3.5Å; Y728-Y731 VanDerWaalsContact O-OH 3.1Å |
| 729 | V | 84.5 | Confident | 86.1 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | -18.3 | -180 | -64.3 | 0 | 0 | 0 | 0 | 113.4 | F494 L608 L627 F720 L724 Q726 Q727 Y731 F732 | F494-V729 HydrophobicContact CD2-CG1 4.42Å; F494-V729 HydrophobicContact CE2-CG1 3.79Å; F494-V729 HydrophobicContact CZ-CG1 4.46Å; L608-V729 HydrophobicContact CD1-CG1 4.46Å; L627-V729 HydrophobicContact CD2-CB 4.3Å; L627-V729 HydrophobicContact CD2-CG2 4.42Å; L627-V729 WeakPolarHBondContact CD2-O 3.38Å; F720-V729 HydrophobicContact CE1-CG2 4.14Å; F720-V729 HydrophobicContact CZ-CG1 4.48Å; F720-V729 HydrophobicContact CZ-CG2 4.29Å; L724-V729 HydrophobicContact CD2-CG1 3.83Å; L724-V729 HydrophobicContact CG-CG1 4.44Å; Q726-V729 HydrophobicContact CG-CG2 4.29Å; Q726-V729 WeakPolarHBondContact O-CG2 3.2Å; Q726-V729 PolarHBondContact O-N 2.84Å; Q727-V729 VanDerWaalsContact C-N 3.33Å; V729-Y731 PolarHBondContact O-N 3.47Å; V729-F732 HydrophobicContact CB-CD2 4.41Å; V729-F732 WeakPolarHBondContact O-CB 3.46Å; V729-F732 WeakPolarHBondContact O-CD2 3.4Å; V729-F732 PolarHBondContact O-N 3.24Å |
| 730 | Q | 76.8 | Confident | 85.7 | Confident | 63 Ų | 63 | 20.3 Ų | 20.3 | 29% | 0.294 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -22 | -172.9 | 73.1 | -175 | 14.9 | 0 | 0 | 116 | Q726 | Q726-Q730 PolarHBondContact O-N 2.93Š|
| 731 | Y | 76.2 | Confident | 85.5 | Confident | 22 Ų | 22 | 20.3 Ų | 20.3 | 9% | 0.086 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -8.1 | 178.5 | 59 | -93 | 0 | 0 | 0 | 113.6 | K490 Y493 F494 Y728 V729 | K490-Y731 HydrophobicContact CB-CD2 4.24Å; K490-Y731 HydrophobicContact CB-CE2 3.86Å; K490-Y731 HydrophobicContact CD-CD2 4.08Å; K490-Y731 HydrophobicContact CD-CE2 4.5Å; K490-Y731 HydrophobicContact CG-CD2 3.98Å; K490-Y731 HydrophobicContact CG-CE2 4.1Å; K490-Y731 PolarHBondContact NZ-O 3Å; Y493-Y731 HydrophobicContact CD1-CE1 4.4Å; F494-Y731 WeakPolarHBondContact CA-OH 3.45Å; F494-Y731 VanDerWaalsContact CB-OH 3.24Å; F494-Y731 WeakPolarHBondContact CB-OH 3.37Å; F494-Y731 PolarHBondContact N-OH 3.33Å; Y728-Y731 WeakPolarHBondContact O-CE1 3.39Å; Y728-Y731 VanDerWaalsContact O-CZ 3.3Å; Y728-Y731 PolarHBondContact O-OH 3.5Å; Y728-Y731 VanDerWaalsContact O-OH 3.1Å; V729-Y731 PolarHBondContact O-N 3.47Å |
| 732 | F | 83.8 | Confident | 85.2 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -75.7 | 148.3 | 166.9 | -66.2 | -72.8 | 0 | 0 | 0 | 110 | F487 K490 V491 F494 L627 K629 V729 E736 L740 | F487-F732 HydrophobicContact CD2-CD1 4.31Å; F487-F732 HydrophobicContact CD2-CE1 4.17Å; F487-F732 HydrophobicContact CE2-CD1 4.14Å; F487-F732 AromaticContact CE2-CE1 3.97Å; F487-F732 HydrophobicContact CE2-CE1 3.97Å; K490-F732 HydrophobicContact CB-CD1 4.24Å; K490-F732 HydrophobicContact CB-CE1 3.52Å; K490-F732 HydrophobicContact CB-CZ 4.04Å; K490-F732 HydrophobicContact CD-CD1 4.12Å; K490-F732 HydrophobicContact CD-CE1 4.23Å; V491-F732 HydrophobicContact CG2-CE1 4.17Å; V491-F732 HydrophobicContact CG2-CZ 4.45Å; F494-F732 HydrophobicContact CB-CE2 4.01Å; F494-F732 HydrophobicContact CB-CZ 3.87Å; F494-F732 HydrophobicContact CD2-CE2 4.15Å; F494-F732 HydrophobicContact CG-CE2 4.08Å; F494-F732 HydrophobicContact CG-CZ 4.29Å; L627-F732 WeakPolarHBondContact CD1-O 3.49Å; L627-F732 HydrophobicContact CD2-CB 4.35Å; K629-F732 WeakPolarHBondContact CE-O 3.4Å; K629-F732 PolarHBondContact NZ-O 3.44Å; V729-F732 HydrophobicContact CB-CD2 4.41Å; V729-F732 WeakPolarHBondContact O-CB 3.46Å; V729-F732 WeakPolarHBondContact O-CD2 3.4Å; V729-F732 PolarHBondContact O-N 3.24Å; F732-E736 WeakPolarHBondContact CA-OE2 3.48Å; F732-E736 HydrophobicContact CB-CB 4.13Å; F732-E736 HydrophobicContact CD1-CB 3.88Å; F732-E736 HydrophobicContact CG-CB 4.46Å; F732-L740 HydrophobicContact CD2-CD2 4.42Å; F732-L740 HydrophobicContact CE2-CD2 3.98Å; F732-L740 HydrophobicContact CZ-CD2 4.06Å |
| 733 | D | 82.6 | Confident | 84.8 | Confident | 9 Ų | 9 | 15.7 Ų | 15.7 | 5% | 0.048 | 8% | 0.076 | C | C | . | . | trans | -81.5 | 167.1 | 160.2 | 68.8 | 54.1 | 0 | 0 | 0 | 112 | K735 E736 L737 E857 | D733-K735 PolarHBondContact O-N 3.47Å; D733-K735 WeakPolarHBondContact OD1-CA 3.46Å; D733-K735 VanDerWaalsContact OD1-CB 3.32Å; D733-K735 WeakPolarHBondContact OD1-CB 3.02Å; D733-K735 PolarHBondContact OD1-N 2.91Å; D733-E736 PolarHBondContact N-OE2 2.83Å; D733-E736 PolarHBondContact O-N 2.96Å; D733-E736 WeakPolarHBondContact OD1-CG 3.45Å; D733-E736 PolarHBondContact OD1-N 3.27Å; D733-E736 VanDerWaalsContact OD2-CD 3.3Å; D733-E736 WeakPolarHBondContact OD2-CG 3.45Å; D733-L737 WeakPolarHBondContact O-CB 3.44Å; D733-L737 PolarHBondContact O-N 2.81Å; D733-E857 WeakPolarHBondContact CA-OE1 3.32Å; D733-E857 HydrophobicContact CB-CG 3.85Å; D733-E857 WeakPolarHBondContact CB-OE1 3.14Å | ||
| 734 | A | 83.9 | Confident | 84.2 | Confident | 3 Ų | 3 | 15.7 Ų | 15.7 | 3% | 0.025 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.3 | -29.4 | -177 | 0 | 0 | 0 | 0 | 0 | 112.8 | L620 K624 L627 E738 | L620-A734 HydrophobicContact CD1-CB 3.55Å; L620-A734 HydrophobicContact CG-CB 4.3Å; K624-A734 HydrophobicContact CG-CB 3.68Å; L627-A734 HydrophobicContact CD1-CB 4.2Å; A734-E738 PolarHBondContact O-N 2.93Å; A734-E738 VanDerWaalsContact O-N 3.12Å |
| 735 | K | 82.5 | Confident | 83.8 | Confident | 30 Ų | 30 | 17.3 Ų | 17.3 | 13% | 0.13 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -79.9 | -39 | 178.5 | -66.6 | 179.4 | 177.5 | 179 | 0 | 111.7 | L620 D733 L737 E738 V739 Q788 T856 | L620-K735 HydrophobicContact CD1-CG 4.07Å; D733-K735 PolarHBondContact O-N 3.47Å; D733-K735 WeakPolarHBondContact OD1-CA 3.46Å; D733-K735 VanDerWaalsContact OD1-CB 3.32Å; D733-K735 WeakPolarHBondContact OD1-CB 3.02Å; D733-K735 PolarHBondContact OD1-N 2.91Å; K735-L737 VanDerWaalsContact C-N 3.32Å; K735-E738 WeakPolarHBondContact O-CB 3.43Å; K735-E738 PolarHBondContact O-N 3.36Å; K735-V739 WeakPolarHBondContact O-CG2 3.39Å; K735-V739 PolarHBondContact O-N 3.36Å; K735-Q788 HydrophobicContact CD-CB 4.2Å; K735-Q788 PolarHBondContact O-NE2 3.35Å; K735-T856 VanDerWaalsContact NZ-CG2 3.31Å; K735-T856 PolarHBondContact NZ-OG1 3.2Å |
| 736 | E | 85.9 | Confident | 83.7 | Confident | 4 Ų | 4 | 23.1 Ų | 23.1 | 2% | 0.019 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.4 | -41.1 | 172.5 | -72.7 | 176.1 | 150.6 | 0 | 0 | 110.8 | F487 K490 F732 D733 V739 L740 R785 | F487-E736 HydrophobicContact CD2-CB 3.74Å; F487-E736 HydrophobicContact CD2-CG 3.59Å; F487-E736 HydrophobicContact CE2-CB 3.69Å; F487-E736 HydrophobicContact CE2-CG 4.06Å; F487-E736 WeakPolarHBondContact CE2-O 3.29Å; F487-E736 HydrophobicContact CG-CG 4.4Å; K490-E736 VanDerWaalsContact NZ-CD 3.34Å; K490-E736 IonicContact NZ-OE1 2.87Å; K490-E736 PolarHBondContact NZ-OE1 3.47Å; K490-E736 VanDerWaalsContact NZ-OE1 3.12Å; K490-E736 IonicContact NZ-OE2 3.24Å; K490-E736 PolarHBondContact NZ-OE2 2.74Å; F732-E736 WeakPolarHBondContact CA-OE2 3.48Å; F732-E736 HydrophobicContact CB-CB 4.13Å; F732-E736 HydrophobicContact CD1-CB 3.88Å; F732-E736 HydrophobicContact CG-CB 4.46Å; D733-E736 PolarHBondContact N-OE2 2.83Å; D733-E736 PolarHBondContact O-N 2.96Å; D733-E736 WeakPolarHBondContact OD1-CG 3.45Å; D733-E736 PolarHBondContact OD1-N 3.27Å; D733-E736 VanDerWaalsContact OD2-CD 3.3Å; D733-E736 WeakPolarHBondContact OD2-CG 3.45Å; E736-V739 PolarHBondContact O-N 2.92Å; E736-L740 WeakPolarHBondContact O-CB 3.36Å; E736-L740 PolarHBondContact O-N 2.85Å; E736-R785 IonicContact OE1-NH2 2.78Å; E736-R785 PolarHBondContact OE1-NH2 3.16Å |
| 737 | L | 88.6 | Confident | 84.1 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.2 | -40.8 | 174.7 | -177.8 | 62.9 | 0 | 0 | 0 | 112 | L608 Y623 I626 L627 D733 K735 V739 L740 L741 | L608-L737 HydrophobicContact CD1-CD1 4.08Å; L608-L737 HydrophobicContact CD2-CD1 4.24Å; Y623-L737 HydrophobicContact CD1-CD2 4.02Å; Y623-L737 HydrophobicContact CD1-CG 4.12Å; I626-L737 HydrophobicContact CB-CD2 3.78Å; I626-L737 HydrophobicContact CD1-CD2 4.39Å; I626-L737 HydrophobicContact CG2-CD2 3.61Å; L627-L737 HydrophobicContact CD1-CB 4.3Å; L627-L737 HydrophobicContact CD1-CD2 4.21Å; L627-L737 HydrophobicContact CD2-CD2 3.89Å; L627-L737 HydrophobicContact CG-CD2 3.82Å; D733-L737 WeakPolarHBondContact O-CB 3.44Å; D733-L737 PolarHBondContact O-N 2.81Å; K735-L737 VanDerWaalsContact C-N 3.32Å; L737-V739 VanDerWaalsContact C-N 3.33Å; L737-V739 PolarHBondContact O-N 2.95Å; L737-L740 PolarHBondContact O-N 3.27Å; L737-L741 HydrophobicContact CD1-CD1 4.39Å; L737-L741 HydrophobicContact CG-CD1 4.31Å; L737-L741 PolarHBondContact O-N 3.5Å; L737-L741 VanDerWaalsContact O-N 3.07Å |
| 738 | E | 87.8 | Confident | 84.7 | Confident | 3 Ų | 3 | 22.1 Ų | 22.1 | 1% | 0.014 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -56.7 | -48.6 | 172.5 | -175 | -168.3 | -162 | 0 | 0 | 110.5 | S617 Y623 A734 K735 L740 L741 C742 Q788 T793 C794 | S617-E738 PolarHBondContact OG-OE1 3.04Å; S617-E738 VanDerWaalsContact OG-OE1 3.06Å; Y623-E738 HydrophobicContact CD2-CB 4.09Å; Y623-E738 HydrophobicContact CD2-CG 4.5Å; Y623-E738 HydrophobicContact CE2-CB 3.72Å; Y623-E738 HydrophobicContact CE2-CG 3.69Å; A734-E738 PolarHBondContact O-N 2.93Å; A734-E738 VanDerWaalsContact O-N 3.12Å; K735-E738 WeakPolarHBondContact O-CB 3.43Å; K735-E738 PolarHBondContact O-N 3.36Å; E738-L740 VanDerWaalsContact C-N 3.32Å; E738-L740 PolarHBondContact O-N 3.49Å; E738-L741 PolarHBondContact O-N 3.2Å; E738-C742 WeakPolarHBondContact O-CB 3.4Å; E738-C742 PolarHBondContact O-N 3.44Å; E738-C742 PolarHBondContact O-SG 3.47Å; E738-C742 VanDerWaalsContact O-SG 3.41Å; E738-Q788 PolarHBondContact OE2-NE2 3.25Å; E738-T793 WeakPolarHBondContact OE1-CA 3.38Å; E738-T793 WeakPolarHBondContact OE1-CB 3.32Å; E738-T793 PolarHBondContact OE1-OG1 2.95Å; E738-C794 PolarHBondContact OE1-N 2.94Å; E738-C794 PolarHBondContact OE2-N 3.1Å |
| 739 | V | 86.6 | Confident | 85.3 | Confident | 7 Ų | 7 | 22.4 Ų | 22.4 | 4% | 0.042 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.2 | -38.7 | 178.9 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | F487 K735 E736 L737 L741 G743 M744 M784 C794 | F487-V739 HydrophobicContact CE1-CB 4.36Å; F487-V739 HydrophobicContact CE1-CG1 3.63Å; F487-V739 HydrophobicContact CZ-CB 4.02Å; F487-V739 HydrophobicContact CZ-CG1 3.69Å; K735-V739 WeakPolarHBondContact O-CG2 3.39Å; K735-V739 PolarHBondContact O-N 3.36Å; E736-V739 PolarHBondContact O-N 2.92Å; L737-V739 VanDerWaalsContact C-N 3.33Å; L737-V739 PolarHBondContact O-N 2.95Å; V739-L741 PolarHBondContact O-N 3.45Å; V739-G743 VanDerWaalsContact O-CA 3.28Å; V739-G743 WeakPolarHBondContact O-CA 3.48Å; V739-G743 PolarHBondContact O-N 2.8Å; V739-M744 HydrophobicContact CG1-CG 3.59Å; V739-M784 HydrophobicContact CB-CE 4.24Å; V739-M784 HydrophobicContact CG1-CE 3.65Å; V739-M784 HydrophobicContact CG2-CE 3.51Å; V739-C794 HydrophobicContact CG2-CB 4.02Å |
| 740 | L | 87.7 | Confident | 85.7 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.9 | -29.8 | 177.8 | -172 | 60.9 | 0 | 0 | 0 | 112.5 | I378 V491 F494 L608 F732 E736 L737 E738 | I378-L740 HydrophobicContact CD1-CD1 4.5Å; I378-L740 WeakPolarHBondContact CD1-O 3.39Å; I378-L740 HydrophobicContact CG2-CD1 4.18Å; V491-L740 HydrophobicContact CG1-CD1 4.29Å; V491-L740 HydrophobicContact CG2-CD1 4.11Å; F494-L740 HydrophobicContact CD1-CD1 4.46Å; F494-L740 HydrophobicContact CD1-CD2 3.98Å; F494-L740 HydrophobicContact CE1-CD2 3.98Å; F494-L740 HydrophobicContact CG-CD2 4.5Å; L608-L740 HydrophobicContact CD2-CB 4.22Å; L608-L740 HydrophobicContact CD2-CD2 3.64Å; L608-L740 HydrophobicContact CD2-CG 3.57Å; F732-L740 HydrophobicContact CD2-CD2 4.42Å; F732-L740 HydrophobicContact CE2-CD2 3.98Å; F732-L740 HydrophobicContact CZ-CD2 4.06Å; E736-L740 WeakPolarHBondContact O-CB 3.36Å; E736-L740 PolarHBondContact O-N 2.85Å; L737-L740 PolarHBondContact O-N 3.27Å; E738-L740 VanDerWaalsContact C-N 3.32Å; E738-L740 PolarHBondContact O-N 3.49Å |
| 741 | L | 89.6 | Confident | 86.6 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -87.8 | -43.9 | 177.2 | -80.6 | 167.7 | 0 | 0 | 0 | 113.3 | I604 A607 L608 I613 I614 Y623 L737 E738 V739 | I604-L741 HydrophobicContact CG2-CD1 4.05Å; I604-L741 HydrophobicContact CG2-CD2 3.82Å; A607-L741 HydrophobicContact CB-CD2 4.35Å; L608-L741 HydrophobicContact CD1-CD2 4.29Å; L608-L741 HydrophobicContact CD2-CD2 3.64Å; L608-L741 HydrophobicContact CD2-CG 3.72Å; L608-L741 HydrophobicContact CG-CD2 3.6Å; L608-L741 HydrophobicContact CG-CG 4.13Å; I613-L741 CarbonylContact C-O 3.58Å; I613-L741 VanDerWaalsContact CA-O 3.31Å; I613-L741 WeakPolarHBondContact CA-O 3.37Å; I613-L741 WeakPolarHBondContact CG2-O 3.49Å; I614-L741 HydrophobicContact CD1-CB 4.38Å; I614-L741 HydrophobicContact CD1-CD2 4.08Å; I614-L741 HydrophobicContact CG1-CB 4.26Å; I614-L741 HydrophobicContact CG1-CD2 4.4Å; I614-L741 PolarHBondContact N-O 2.96Å; Y623-L741 HydrophobicContact CD1-CD1 4.27Å; Y623-L741 HydrophobicContact CE1-CD1 3.63Å; L737-L741 HydrophobicContact CD1-CD1 4.39Å; L737-L741 HydrophobicContact CG-CD1 4.31Å; L737-L741 PolarHBondContact O-N 3.5Å; L737-L741 VanDerWaalsContact O-N 3.07Å; E738-L741 PolarHBondContact O-N 3.2Å; V739-L741 PolarHBondContact O-N 3.45Å |
| 742 | C | 87.3 | Confident | 87.6 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -92.9 | -13.6 | -171.3 | -59.6 | 0 | 0 | 0 | 0 | 113.7 | R376 I613 T616 E738 R795 | R376-C742 VanDerWaalsContact CD-O 3.23Å; R376-C742 WeakPolarHBondContact CD-O 3.38Å; R376-C742 PolarHBondContact NH1-O 3.03Å; I613-C742 WeakPolarHBondContact CG2-O 3.41Å; T616-C742 PolarHBondContact O-SG 3Å; E738-C742 WeakPolarHBondContact O-CB 3.4Å; E738-C742 PolarHBondContact O-N 3.44Å; E738-C742 PolarHBondContact O-SG 3.47Å; E738-C742 VanDerWaalsContact O-SG 3.41Å; C742-R795 HydrophobicContact CB-CG 4.44Å |
| 743 | G | 84.7 | Confident | 88.1 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | trans | 77.5 | 159.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V739 | V739-G743 VanDerWaalsContact O-CA 3.28Å; V739-G743 WeakPolarHBondContact O-CA 3.48Å; V739-G743 PolarHBondContact O-N 2.8Å | ||
| 744 | M | 81.2 | Confident | 88.8 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | B | Isolated β-bridge | trans | -83.8 | 147 | 170 | -57.3 | -175.6 | 75 | 0 | 0 | 110.4 | R376 F377 Y379 V739 E781 M784 | R376-M744 CarbonylContact C-O 3.58Å; R376-M744 WeakPolarHBondContact CA-O 3.47Å; R376-M744 WeakPolarHBondContact CB-O 3.41Å; F377-M744 HydrophobicContact CD2-CB 4.33Å; F377-M744 HydrophobicContact CE1-CB 4.44Å; F377-M744 HydrophobicContact CE2-CB 4.06Å; F377-M744 HydrophobicContact CE2-SD 4.17Å; F377-M744 HydrophobicContact CZ-CB 4.12Å; F377-M744 PolarHBondContact N-O 2.73Å; F377-M744 WeakPolarHBondContact O-CA 3.22Å; F377-M744 WeakPolarHBondContact O-CB 3.46Å; F377-M744 PolarHBondContact O-N 2.95Å; Y379-M744 HydrophobicContact CD2-CE 4.48Å; Y379-M744 HydrophobicContact CD2-SD 3.56Å; Y379-M744 VanDerWaalsContact CD2-SD 3.56Å; Y379-M744 HydrophobicContact CE2-CE 3.67Å; Y379-M744 HydrophobicContact CE2-SD 3.31Å; Y379-M744 WeakPolarHBondContact CE2-SD 3.2Å; Y379-M744 HydrophobicContact CG-SD 4.4Å; V739-M744 HydrophobicContact CG1-CG 3.59Å; M744-E781 HydrophobicContact CE-CB 3.95Å; M744-E781 HydrophobicContact CE-CG 4.34Å; M744-M784 VanDerWaalsContact CA-SD 3.56Å; M744-M784 HydrophobicContact CB-CE 3.98Å; M744-M784 HydrophobicContact CB-SD 3.5Å; M744-M784 VanDerWaalsContact CB-SD 3.5Å; M744-M784 HydrophobicContact CE-CE 4.17Å; M744-M784 HydrophobicContact CE-SD 3.63Å; M744-M784 HydrophobicContact CG-CE 3.66Å; M744-M784 HydrophobicContact CG-SD 3.73Å |
| 745 | Q | 83.1 | Confident | 89.4 | Confident | 34 Ų | 34 | 39 Ų | 39 | 16% | 0.159 | 18% | 0.184 | C | C | . | . | trans | -126.3 | 148 | 168.9 | 58 | 179.5 | 86.6 | 0 | 0 | 109.6 | R376 I747 N780 | R376-Q745 HydrophobicContact CG-CB 4.38Å; Q745-I747 PolarHBondContact O-N 2.96Å; Q745-N780 PolarHBondContact O-ND2 3.29Å | ||
| 746 | E | 84.8 | Confident | 90.1 | Very high | 158 Ų | 158 | 37.8 Ų | 37.8 | 74% | 0.738 | 18% | 0.179 | S | C | * | . | trans | -68.4 | 129.4 | 169.3 | -68.1 | -165.7 | 161.9 | 0 | 0 | 109.5 | F377 | F377-E746 HydrophobicContact CE1-CG 4.2Š| ||
| 747 | I | 88.3 | Confident | 90.6 | Very high | 9 Ų | 9 | 40.6 Ų | 40.6 | 5% | 0.046 | 19% | 0.194 | C | C | . | . | trans | -90.3 | 117 | 179.4 | -66.4 | 173.2 | 0 | 0 | 0 | 109.1 | Q745 L749 W752 N780 R783 M784 L787 F801 | Q745-I747 PolarHBondContact O-N 2.96Å; I747-L749 HydrophobicContact CG2-CD2 4.39Å; I747-L749 PolarHBondContact O-N 2.85Å; I747-L749 VanDerWaalsContact O-N 3.12Å; I747-W752 HydrophobicContact CD1-CZ3 4.36Å; I747-W752 HydrophobicContact CG2-CD2 4.44Å; I747-W752 HydrophobicContact CG2-CE3 3.48Å; I747-W752 VanDerWaalsContact CG2-CE3 3.48Å; I747-W752 HydrophobicContact CG2-CZ3 3.85Å; I747-N780 PolarHBondContact N-OD1 3.11Å; I747-N780 VanDerWaalsContact N-OD1 3.11Å; I747-R783 HydrophobicContact CD1-CB 3.7Å; I747-M784 HydrophobicContact CD1-CB 4.39Å; I747-M784 HydrophobicContact CD1-CG 3.76Å; I747-M784 HydrophobicContact CG1-CG 4.42Å; I747-L787 HydrophobicContact CD1-CB 4.43Å; I747-L787 HydrophobicContact CD1-CD2 4.32Å; I747-F801 HydrophobicContact CG2-CE2 3.98Å; I747-F801 HydrophobicContact CG2-CZ 4.04Å | ||
| 748 | D | 90.8 | Very high | 91 | Very high | 89 Ų | 89 | 42.5 Ų | 42.5 | 48% | 0.476 | 20% | 0.201 | S | C | . | . | trans | -70.5 | 105.2 | 170.7 | -174.1 | -15.9 | 0 | 0 | 0 | 109.9 | N750 D751 W752 | D748-N750 VanDerWaalsContact C-N 3.28Å; D748-N750 PolarHBondContact O-N 2.83Å; D748-N750 WeakPolarHBondContact OD1-CA 3.31Å; D748-N750 WeakPolarHBondContact OD1-CB 3.14Å; D748-N750 PolarHBondContact OD1-N 3.32Å; D748-D751 HydrophobicContact CB-CB 3.91Å; D748-D751 PolarHBondContact O-N 3.46Å; D748-D751 PolarHBondContact OD1-N 2.97Å; D748-W752 PolarHBondContact O-N 3.39Å | ||
| 749 | L | 94.1 | Very high | 91.5 | Very high | 36 Ų | 36 | 47.8 Ų | 47.8 | 19% | 0.188 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.3 | -33 | 179.7 | -62.7 | -173.3 | 0 | 0 | 0 | 112.9 | I747 W752 Q753 V775 K776 | I747-L749 HydrophobicContact CG2-CD2 4.39Å; I747-L749 PolarHBondContact O-N 2.85Å; I747-L749 VanDerWaalsContact O-N 3.12Å; L749-W752 HydrophobicContact CD2-CE3 4.41Å; L749-Q753 VanDerWaalsContact O-CB 3.31Å; L749-Q753 WeakPolarHBondContact O-CB 3.2Å; L749-Q753 PolarHBondContact O-N 3.03Å; L749-V775 HydrophobicContact CD2-CG1 3.52Å; L749-K776 HydrophobicContact CD1-CB 4.41Å; L749-K776 HydrophobicContact CD1-CG 4.43Å |
| 750 | N | 94.4 | Very high | 92 | Very high | 114 Ų | 114 | 54.6 Ų | 54.6 | 61% | 0.61 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -71.5 | -41.5 | -179.4 | -62.7 | -51.4 | 0 | 0 | 0 | 110.3 | D748 R754 | D748-N750 VanDerWaalsContact C-N 3.28Å; D748-N750 PolarHBondContact O-N 2.83Å; D748-N750 WeakPolarHBondContact OD1-CA 3.31Å; D748-N750 WeakPolarHBondContact OD1-CB 3.14Å; D748-N750 PolarHBondContact OD1-N 3.32Å; N750-R754 WeakPolarHBondContact O-CB 3.46Å; N750-R754 PolarHBondContact O-N 3.37Å |
| 751 | D | 95.3 | Very high | 92.4 | Very high | 29 Ų | 29 | 55.2 Ų | 55.2 | 16% | 0.155 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.5 | -46.9 | 174.5 | -174.1 | 44.1 | 0 | 0 | 0 | 111.3 | D748 Q753 R754 H755 F801 | D748-D751 HydrophobicContact CB-CB 3.91Å; D748-D751 PolarHBondContact O-N 3.46Å; D748-D751 PolarHBondContact OD1-N 2.97Å; D751-Q753 PolarHBondContact O-N 2.9Å; D751-R754 PolarHBondContact O-N 3.04Å; D751-H755 PolarHBondContact O-N 2.83Å; D751-H755 VanDerWaalsContact O-N 3.15Å; D751-H755 PolarHBondContact O-ND1 2.93Å; D751-H755 VanDerWaalsContact O-ND1 3.13Å; D751-H755 IonicContact OD1-CE1 3.84Å; D751-H755 PolarHBondContact OD1-CE1 3.45Å; D751-H755 IonicContact OD1-ND1 2.78Å; D751-H755 PolarHBondContact OD1-ND1 3.39Å; D751-F801 HydrophobicContact CB-CD2 4.43Å; D751-F801 WeakPolarHBondContact OD2-CD2 3.17Å; D751-F801 PolarHBondContact OD2-N 3.5Å |
| 752 | W | 96.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.8 | -50.8 | 177.6 | -165 | -3.7 | 0 | 0 | 0 | 111.8 | I747 D748 L749 R754 H755 A756 W772 V775 R783 L786 L787 F801 F813 | I747-W752 HydrophobicContact CD1-CZ3 4.36Å; I747-W752 HydrophobicContact CG2-CD2 4.44Å; I747-W752 HydrophobicContact CG2-CE3 3.48Å; I747-W752 VanDerWaalsContact CG2-CE3 3.48Å; I747-W752 HydrophobicContact CG2-CZ3 3.85Å; D748-W752 PolarHBondContact O-N 3.39Å; L749-W752 HydrophobicContact CD2-CE3 4.41Å; W752-R754 VanDerWaalsContact C-N 3.34Å; W752-R754 PolarHBondContact O-N 2.87Å; W752-H755 PolarHBondContact O-N 3.2Å; W752-A756 WeakPolarHBondContact O-CB 3.36Å; W752-A756 PolarHBondContact O-N 3.23Å; W752-A756 VanDerWaalsContact O-N 3.08Å; W752-W772 HydrophobicContact CB-CH2 4.21Å; W752-W772 HydrophobicContact CB-CZ3 4.2Å; W752-W772 AromaticContact CD1-CH2 3.65Å; W752-W772 HydrophobicContact CD2-CH2 4.2Å; W752-W772 HydrophobicContact CD2-CZ3 4.1Å; W752-W772 AromaticContact CG-CH2 3.73Å; W752-W772 HydrophobicContact CG-CH2 3.73Å; W752-W772 AromaticContact CG-CZ3 3.9Å; W752-W772 HydrophobicContact CG-CZ3 3.9Å; W752-V775 HydrophobicContact CE3-CG1 4.22Å; W752-V775 HydrophobicContact CZ3-CG1 4.15Å; W752-R783 HydrophobicContact CZ3-CB 4.41Å; W752-L786 HydrophobicContact CH2-CB 4.39Å; W752-L786 HydrophobicContact CH2-CD2 3.92Å; W752-L786 HydrophobicContact CH2-CG 4.04Å; W752-L786 HydrophobicContact CZ2-CD2 4.44Å; W752-L786 HydrophobicContact CZ2-CG 4.47Å; W752-L787 HydrophobicContact CH2-CB 4.3Å; W752-L787 HydrophobicContact CZ2-CD1 4.43Å; W752-F801 VanDerWaalsContact CA-CD2 3.49Å; W752-F801 HydrophobicContact CB-CD1 4.18Å; W752-F801 HydrophobicContact CB-CD2 3.7Å; W752-F801 HydrophobicContact CB-CE1 4.03Å; W752-F801 HydrophobicContact CB-CE2 3.5Å; W752-F801 HydrophobicContact CB-CG 4.04Å; W752-F801 HydrophobicContact CB-CZ 3.69Å; W752-F801 AromaticContact CD1-CD1 3.33Å; W752-F801 AromaticContact CD1-CE1 3.18Å; W752-F801 AromaticContact CD1-CZ 3.71Å; W752-F801 HydrophobicContact CD2-CD1 4.41Å; W752-F801 AromaticContact CD2-CE1 3.55Å; W752-F801 HydrophobicContact CD2-CE1 3.55Å; W752-F801 HydrophobicContact CD2-CE2 4.11Å; W752-F801 AromaticContact CD2-CZ 3.36Å; W752-F801 HydrophobicContact CD2-CZ 3.36Å; W752-F801 AromaticContact CE2-CE1 3.5Å; W752-F801 AromaticContact CE2-CZ 3.77Å; W752-F801 HydrophobicContact CE3-CE1 4.39Å; W752-F801 HydrophobicContact CE3-CE2 4.47Å; W752-F801 AromaticContact CE3-CZ 3.8Å; W752-F801 HydrophobicContact CE3-CZ 3.8Å; W752-F801 AromaticContact CG-CD1 3.76Å; W752-F801 HydrophobicContact CG-CD1 3.76Å; W752-F801 HydrophobicContact CG-CD2 4.12Å; W752-F801 AromaticContact CG-CE1 3.36Å; W752-F801 HydrophobicContact CG-CE1 3.36Å; W752-F801 AromaticContact CG-CE2 3.73Å; W752-F801 HydrophobicContact CG-CE2 3.73Å; W752-F801 HydrophobicContact CG-CG 4.14Å; W752-F801 AromaticContact CG-CZ 3.33Å; W752-F801 HydrophobicContact CG-CZ 3.33Å; W752-F801 HydrophobicContact CZ2-CE1 4.27Å; W752-F801 HydrophobicContact CZ2-CZ 4.47Å; W752-F801 HydrophobicContact CZ3-CZ 4.49Å; W752-F801 AromaticContact NE1-CD1 3.8Å; W752-F801 AromaticContact NE1-CE1 3.32Å; W752-F801 VanDerWaalsContact NE1-CE1 3.32Å; W752-F801 AromaticContact NE1-CZ 3.99Å; W752-F813 AromaticContact CE2-CE2 3.94Å; W752-F813 HydrophobicContact CZ2-CD2 4.2Å; W752-F813 AromaticContact CZ2-CE2 3.66Å; W752-F813 HydrophobicContact CZ2-CE2 3.66Å; W752-F813 AromaticContact CZ2-CZ 3.94Å; W752-F813 HydrophobicContact CZ2-CZ 3.94Å; W752-F813 AromaticContact NE1-CD1 3.43Å; W752-F813 AromaticContact NE1-CD2 3.42Å; W752-F813 AromaticContact NE1-CE1 3.61Å; W752-F813 AromaticContact NE1-CE2 3.58Å; W752-F813 AromaticContact NE1-CG 3.34Å; W752-F813 VanDerWaalsContact NE1-CG 3.34Å; W752-F813 AromaticContact NE1-CZ 3.69Å |
| 753 | Q | 95.9 | Very high | 93.1 | Very high | 88 Ų | 88 | 66.1 Ų | 66.1 | 41% | 0.411 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.4 | -34.6 | -178.6 | -173.1 | 173.4 | 15.9 | 0 | 0 | 112.6 | L749 D751 W772 | L749-Q753 VanDerWaalsContact O-CB 3.31Å; L749-Q753 WeakPolarHBondContact O-CB 3.2Å; L749-Q753 PolarHBondContact O-N 3.03Å; D751-Q753 PolarHBondContact O-N 2.9Å; Q753-W772 HydrophobicContact CB-CD2 4.08Å; Q753-W772 HydrophobicContact CB-CE3 4.02Å; Q753-W772 HydrophobicContact CB-CH2 3.99Å; Q753-W772 HydrophobicContact CB-CZ2 4.05Å; Q753-W772 HydrophobicContact CB-CZ3 3.97Å; Q753-W772 HydrophobicContact CG-CD2 3.82Å; Q753-W772 HydrophobicContact CG-CE3 4.26Å; Q753-W772 HydrophobicContact CG-CG 4.18Å; Q753-W772 HydrophobicContact CG-CH2 4.49Å; Q753-W772 HydrophobicContact CG-CZ2 4.07Å |
| 754 | R | 96.3 | Very high | 93.7 | Very high | 172 Ų | 172 | 71.5 Ų | 71.5 | 65% | 0.649 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -63.5 | -41.5 | 178.7 | -178.9 | -178.4 | -64.8 | 175.3 | 1.4 | 111.8 | N750 D751 W752 R763 | N750-R754 WeakPolarHBondContact O-CB 3.46Å; N750-R754 PolarHBondContact O-N 3.37Å; D751-R754 PolarHBondContact O-N 3.04Å; W752-R754 VanDerWaalsContact C-N 3.34Å; W752-R754 PolarHBondContact O-N 2.87Å; R754-R763 PolarHBondContact O-NH2 3.38Å |
| 755 | H | 96.4 | Very high | 94.5 | Very high | 42 Ų | 42 | 72.8 Ų | 72.8 | 19% | 0.194 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -96.8 | -3.4 | -173.6 | -62.7 | 112.5 | 0 | 0 | 0 | 114.4 | D751 W752 F801 | D751-H755 PolarHBondContact O-N 2.83Å; D751-H755 VanDerWaalsContact O-N 3.15Å; D751-H755 PolarHBondContact O-ND1 2.93Å; D751-H755 VanDerWaalsContact O-ND1 3.13Å; D751-H755 IonicContact OD1-CE1 3.84Å; D751-H755 PolarHBondContact OD1-CE1 3.45Å; D751-H755 IonicContact OD1-ND1 2.78Å; D751-H755 PolarHBondContact OD1-ND1 3.39Å; W752-H755 PolarHBondContact O-N 3.2Å; H755-F801 HydrophobicContact CB-CB 3.93Å |
| 756 | A | 96.8 | Very high | 95.2 | Very high | 4 Ų | 4 | 78 Ų | 78 | 3% | 0.033 | 37% | 0.368 | C | S | . | . | trans | -67.8 | 135.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | W752 Y758 W772 F813 | W752-A756 WeakPolarHBondContact O-CB 3.36Å; W752-A756 PolarHBondContact O-N 3.23Å; W752-A756 VanDerWaalsContact O-N 3.08Å; A756-Y758 HydrophobicContact CB-CE1 4.45Å; A756-W772 HydrophobicContact CB-CH2 4.17Å; A756-W772 HydrophobicContact CB-CZ2 3.61Å; A756-F813 WeakPolarHBondContact CA-O 3.31Å; A756-F813 HydrophobicContact CB-CD1 3.97Å | ||
| 757 | I | 96.8 | Very high | 95.8 | Very high | 63 Ų | 63 | 71.9 Ų | 71.9 | 32% | 0.323 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 152.3 | 174.3 | 62.9 | 171.3 | 0 | 0 | 0 | 111 | K812 F813 C814 I815 | I757-K812 HydrophobicContact CG2-CB 4.46Å; I757-K812 HydrophobicContact CG2-CD 4.42Å; I757-F813 WeakPolarHBondContact CG1-O 3.38Å; I757-F813 PolarHBondContact N-O 3.24Å; I757-C814 HydrophobicContact CD1-CB 3.89Å; I757-C814 HydrophobicContact CG1-CB 3.59Å; I757-C814 CarbonylContact O-C 3.55Å; I757-C814 WeakPolarHBondContact O-CA 3.42Å; I757-I815 PolarHBondContact O-N 3.11Å |
| 758 | Y | 97.8 | Very high | 96.3 | Very high | 41 Ų | 41 | 71.5 Ų | 71.5 | 16% | 0.161 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 133.1 | -176.5 | -50.9 | -74.2 | 0 | 0 | 0 | 110.6 | A756 Y761 R763 I768 W772 I815 | A756-Y758 HydrophobicContact CB-CE1 4.45Å; Y758-Y761 WeakPolarHBondContact CB-O 3.38Å; Y758-R763 HydrophobicContact CD2-CG 3.86Å; Y758-R763 HydrophobicContact CE2-CB 4.45Å; Y758-R763 HydrophobicContact CE2-CG 3.31Å; Y758-I768 HydrophobicContact CD1-CD1 3.59Å; Y758-I768 HydrophobicContact CD1-CG1 3.94Å; Y758-I768 HydrophobicContact CD1-CG2 4Å; Y758-I768 HydrophobicContact CE1-CB 4.46Å; Y758-I768 HydrophobicContact CE1-CD1 3.86Å; Y758-I768 HydrophobicContact CE1-CG1 4.2Å; Y758-I768 HydrophobicContact CE1-CG2 3.44Å; Y758-I768 VanDerWaalsContact CE1-CG2 3.44Å; Y758-W772 AromaticContact CZ-NE1 3.87Å; Y758-W772 PolarHBondContact OH-NE1 3.35Å; Y758-I815 WeakPolarHBondContact CA-O 3.48Å; Y758-I815 HydrophobicContact CD1-CB 4.08Å; Y758-I815 HydrophobicContact CD1-CG1 4.49Å; Y758-I815 HydrophobicContact CE1-CB 4.45Å; Y758-I815 HydrophobicContact CE1-CD1 4.09Å; Y758-I815 HydrophobicContact CE1-CG1 4.38Å |
| 759 | R | 96.6 | Very high | 96.6 | Very high | 114 Ų | 114 | 72.7 Ų | 72.7 | 43% | 0.43 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 127.7 | 174.7 | -72 | 179.6 | 179.9 | -176.3 | 2 | 109.5 | Y761 I815 E816 K817 | R759-Y761 PolarHBondContact O-N 3.43Å; R759-I815 PolarHBondContact N-O 2.71Å; R759-E816 HydrophobicContact CB-CB 3.98Å; R759-E816 HydrophobicContact CB-CG 3.64Å; R759-E816 WeakPolarHBondContact CD-OE2 3.45Å; R759-E816 IonicContact NH1-OE2 2.87Å; R759-E816 PolarHBondContact NH1-OE2 3.1Å; R759-E816 WeakPolarHBondContact O-CA 3.49Å; R759-K817 PolarHBondContact O-N 3.26Å |
| 760 | H | 97.2 | Very high | 96.8 | Very high | 149 Ų | 149 | 73.3 Ų | 73.3 | 69% | 0.69 | 34% | 0.341 | S | S | * | . | S | Bend | trans | 55.8 | 13.3 | -173.8 | -53.6 | -58.5 | 0 | 0 | 0 | 114.7 | E816 K817 | H760-E816 IonicContact CD2-OE1 3.85Å; H760-K817 HydrophobicContact CB-CB 3.8Å |
| 761 | Y | 97.9 | Very high | 97 | Very high | 15 Ų | 15 | 67.9 Ų | 67.9 | 6% | 0.059 | 31% | 0.312 | C | S | . | . | trans | -131.1 | 165.3 | 167.7 | -81.7 | -51.9 | 0 | 0 | 0 | 108.6 | Y758 R759 Q767 I768 I815 K817 L836 P837 P838 | Y758-Y761 WeakPolarHBondContact CB-O 3.38Å; R759-Y761 PolarHBondContact O-N 3.43Å; Y761-Q767 HydrophobicContact CE1-CB 3.96Å; Y761-Q767 HydrophobicContact CE1-CG 4.24Å; Y761-I768 HydrophobicContact CD1-CG1 4.32Å; Y761-I768 HydrophobicContact CD2-CD1 3.82Å; Y761-I768 HydrophobicContact CD2-CG1 4.34Å; Y761-I768 HydrophobicContact CE2-CD1 4.49Å; Y761-I768 HydrophobicContact CG-CD1 3.92Å; Y761-I768 HydrophobicContact CG-CG1 3.91Å; Y761-I815 HydrophobicContact CD2-CG2 4.29Å; Y761-K817 HydrophobicContact CD1-CB 4.3Å; Y761-K817 HydrophobicContact CD1-CD 4.41Å; Y761-K817 HydrophobicContact CD2-CB 3.65Å; Y761-K817 HydrophobicContact CE1-CB 4.08Å; Y761-K817 HydrophobicContact CE1-CD 3.93Å; Y761-K817 HydrophobicContact CE1-CG 4.06Å; Y761-K817 VanDerWaalsContact CE2-CA 3.42Å; Y761-K817 HydrophobicContact CE2-CB 3.4Å; Y761-K817 VanDerWaalsContact CE2-CB 3.4Å; Y761-K817 HydrophobicContact CE2-CG 3.96Å; Y761-K817 HydrophobicContact CG-CB 4.08Å; Y761-L836 HydrophobicContact CE2-CB 4.21Å; Y761-L836 HydrophobicContact CE2-CD2 4.47Å; Y761-L836 VanDerWaalsContact CE2-O 3.31Å; Y761-L836 WeakPolarHBondContact CE2-O 3.47Å; Y761-L836 PolarHBondContact OH-O 3.49Å; Y761-P837 PolarHBondContact OH-O 2.85Å; Y761-P838 VanDerWaalsContact OH-CA 3.24Å; Y761-P838 WeakPolarHBondContact OH-CA 3.37Å | ||
| 762 | T | 96.1 | Very high | 97.1 | Very high | 74 Ų | 74 | 67.5 Ų | 67.5 | 45% | 0.454 | 31% | 0.309 | S | S | . | . | trans | -130.7 | 166.6 | 171.3 | 62.6 | 0 | 0 | 0 | 0 | 109 | T764 S765 I768 | T762-T764 PolarHBondContact O-N 3.4Å; T762-T764 PolarHBondContact OG1-OG1 2.93Å; T762-T764 VanDerWaalsContact OG1-OG1 3.14Å; T762-S765 PolarHBondContact N-OG 2.82Å; T762-S765 VanDerWaalsContact O-CB 3.3Å; T762-S765 WeakPolarHBondContact O-CB 3.24Å; T762-S765 PolarHBondContact O-N 3.32Å; T762-S765 PolarHBondContact O-OG 3.42Å; T762-S765 PolarHBondContact OG1-N 3.05Å; T762-S765 PolarHBondContact OG1-OG 3.28Å; T762-S765 VanDerWaalsContact OG1-OG 3.14Å; T762-I768 WeakPolarHBondContact O-CG1 2.98Å | ||
| 763 | R | 94.8 | Very high | 97.2 | Very high | 155 Ų | 155 | 71.5 Ų | 71.5 | 59% | 0.585 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -26.2 | 175.9 | -75.9 | -179.4 | 172.7 | 155.7 | -0.8 | 113.6 | R754 Y758 | R754-R763 PolarHBondContact O-NH2 3.38Å; Y758-R763 HydrophobicContact CD2-CG 3.86Å; Y758-R763 HydrophobicContact CE2-CB 4.45Å; Y758-R763 HydrophobicContact CE2-CG 3.31Å |
| 764 | T | 96.7 | Very high | 97.2 | Very high | 114 Ų | 114 | 67.3 Ų | 67.3 | 70% | 0.699 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -3.4 | -179.5 | 55.5 | 0 | 0 | 0 | 0 | 113.6 | T762 K766 | T762-T764 PolarHBondContact O-N 3.4Å; T762-T764 PolarHBondContact OG1-OG1 2.93Å; T762-T764 VanDerWaalsContact OG1-OG1 3.14Å; T764-K766 PolarHBondContact O-N 3.49Å |
| 765 | S | 97.9 | Very high | 97.3 | Very high | 28 Ų | 28 | 59.1 Ų | 59.1 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -63.7 | 136.2 | 175.1 | -63.5 | 0 | 0 | 0 | 0 | 110.4 | T762 Q767 I768 M769 | T762-S765 PolarHBondContact N-OG 2.82Å; T762-S765 VanDerWaalsContact O-CB 3.3Å; T762-S765 WeakPolarHBondContact O-CB 3.24Å; T762-S765 PolarHBondContact O-N 3.32Å; T762-S765 PolarHBondContact O-OG 3.42Å; T762-S765 PolarHBondContact OG1-N 3.05Å; T762-S765 PolarHBondContact OG1-OG 3.28Å; T762-S765 VanDerWaalsContact OG1-OG 3.14Å; S765-Q767 VanDerWaalsContact C-N 3.27Å; S765-Q767 PolarHBondContact O-N 3.35Å; S765-I768 PolarHBondContact O-N 2.9Å; S765-M769 PolarHBondContact O-N 3.19Å |
| 766 | K | 97.6 | Very high | 97.2 | Very high | 144 Ų | 144 | 64.6 Ų | 64.6 | 63% | 0.626 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -51.6 | -45.5 | -176.9 | -68.2 | -176.2 | 179 | -179.6 | 0 | 112.3 | T764 I768 M769 W770 | T764-K766 PolarHBondContact O-N 3.49Å; K766-I768 VanDerWaalsContact C-N 3.3Å; K766-I768 PolarHBondContact O-N 3.47Å; K766-M769 PolarHBondContact O-N 2.75Å; K766-W770 HydrophobicContact CB-CD2 4.41Å; K766-W770 HydrophobicContact CB-CE3 4.49Å; K766-W770 HydrophobicContact CB-CH2 4.02Å; K766-W770 HydrophobicContact CB-CZ2 3.94Å; K766-W770 HydrophobicContact CB-CZ3 4.3Å; K766-W770 HydrophobicContact CD-CH2 4.35Å; K766-W770 HydrophobicContact CD-CZ2 4.25Å; K766-W770 WeakPolarHBondContact O-CB 3.28Å; K766-W770 VanDerWaalsContact O-CD2 3.29Å; K766-W770 PolarHBondContact O-N 2.72Å |
| 767 | Q | 97.8 | Very high | 97.1 | Very high | 30 Ų | 30 | 69 Ų | 69 | 14% | 0.14 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.9 | -33.4 | 179.8 | -65.3 | 78.3 | 9.7 | 0 | 0 | 112.9 | Y761 S765 W770 F771 L836 Y839 L845 | Y761-Q767 HydrophobicContact CE1-CB 3.96Å; Y761-Q767 HydrophobicContact CE1-CG 4.24Å; S765-Q767 VanDerWaalsContact C-N 3.27Å; S765-Q767 PolarHBondContact O-N 3.35Å; Q767-W770 HydrophobicContact CG-CE3 4.23Å; Q767-W770 HydrophobicContact CG-CZ3 4.29Å; Q767-F771 VanDerWaalsContact O-CB 3.29Å; Q767-F771 WeakPolarHBondContact O-CB 3.34Å; Q767-F771 PolarHBondContact O-N 2.57Å; Q767-L836 HydrophobicContact CB-CD2 4.23Å; Q767-Y839 PolarHBondContact NE2-O 3.31Å; Q767-L845 HydrophobicContact CB-CD1 4.34Å |
| 768 | I | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -73.9 | -41.3 | 176.8 | -60.6 | -53.8 | 0 | 0 | 0 | 110.9 | Y758 Y761 T762 S765 K766 W770 F771 W772 I815 L836 | Y758-I768 HydrophobicContact CD1-CD1 3.59Å; Y758-I768 HydrophobicContact CD1-CG1 3.94Å; Y758-I768 HydrophobicContact CD1-CG2 4Å; Y758-I768 HydrophobicContact CE1-CB 4.46Å; Y758-I768 HydrophobicContact CE1-CD1 3.86Å; Y758-I768 HydrophobicContact CE1-CG1 4.2Å; Y758-I768 HydrophobicContact CE1-CG2 3.44Å; Y758-I768 VanDerWaalsContact CE1-CG2 3.44Å; Y761-I768 HydrophobicContact CD1-CG1 4.32Å; Y761-I768 HydrophobicContact CD2-CD1 3.82Å; Y761-I768 HydrophobicContact CD2-CG1 4.34Å; Y761-I768 HydrophobicContact CE2-CD1 4.49Å; Y761-I768 HydrophobicContact CG-CD1 3.92Å; Y761-I768 HydrophobicContact CG-CG1 3.91Å; T762-I768 WeakPolarHBondContact O-CG1 2.98Å; S765-I768 PolarHBondContact O-N 2.9Å; K766-I768 VanDerWaalsContact C-N 3.3Å; K766-I768 PolarHBondContact O-N 3.47Å; I768-W770 VanDerWaalsContact C-N 3.33Å; I768-W770 PolarHBondContact O-N 3.38Å; I768-F771 PolarHBondContact O-N 3.37Å; I768-W772 PolarHBondContact O-N 2.76Å; I768-W772 VanDerWaalsContact O-N 3.08Å; I768-I815 HydrophobicContact CD1-CB 4.07Å; I768-I815 HydrophobicContact CD1-CD1 4.08Å; I768-I815 HydrophobicContact CD1-CG2 3.73Å; I768-L836 HydrophobicContact CD1-CD2 4.47Å |
| 769 | M | 97.9 | Very high | 96.5 | Very high | 115 Ų | 115 | 67.9 Ų | 67.9 | 57% | 0.567 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -61.1 | -44.7 | 173.3 | -65.2 | 177.7 | 65.4 | 0 | 0 | 111.1 | S765 K766 W772 Q773 | S765-M769 PolarHBondContact O-N 3.19Å; K766-M769 PolarHBondContact O-N 2.75Å; M769-W772 PolarHBondContact O-N 3.11Å; M769-Q773 WeakPolarHBondContact O-CB 3.37Å; M769-Q773 PolarHBondContact O-N 2.8Å |
| 770 | W | 98.4 | Very high | 96 | Very high | 49 Ų | 49 | 63.6 Ų | 63.6 | 19% | 0.186 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 174.5 | -68.2 | -18.9 | 0 | 0 | 0 | 112.8 | K766 Q767 I768 W772 Q773 F774 Y839 K840 Y842 L845 | K766-W770 HydrophobicContact CB-CD2 4.41Å; K766-W770 HydrophobicContact CB-CE3 4.49Å; K766-W770 HydrophobicContact CB-CH2 4.02Å; K766-W770 HydrophobicContact CB-CZ2 3.94Å; K766-W770 HydrophobicContact CB-CZ3 4.3Å; K766-W770 HydrophobicContact CD-CH2 4.35Å; K766-W770 HydrophobicContact CD-CZ2 4.25Å; K766-W770 WeakPolarHBondContact O-CB 3.28Å; K766-W770 VanDerWaalsContact O-CD2 3.29Å; K766-W770 PolarHBondContact O-N 2.72Å; Q767-W770 HydrophobicContact CG-CE3 4.23Å; Q767-W770 HydrophobicContact CG-CZ3 4.29Å; I768-W770 VanDerWaalsContact C-N 3.33Å; I768-W770 PolarHBondContact O-N 3.38Å; W770-W772 PolarHBondContact O-N 2.87Å; W770-Q773 PolarHBondContact O-N 3.04Å; W770-F774 WeakPolarHBondContact O-CB 3.44Å; W770-F774 PolarHBondContact O-N 2.96Å; W770-Y839 WeakPolarHBondContact CZ3-O 3.28Å; W770-K840 WeakPolarHBondContact CH2-O 3.46Å; W770-Y842 HydrophobicContact CB-CD2 3.79Å; W770-Y842 HydrophobicContact CB-CE2 4.48Å; W770-Y842 AromaticContact CD1-CD2 3.99Å; W770-Y842 AromaticContact CG-CD2 3.94Å; W770-Y842 HydrophobicContact CG-CD2 3.94Å; W770-Y842 WeakPolarHBondContact O-CE2 3.22Å; W770-L845 HydrophobicContact CB-CD1 3.9Å; W770-L845 HydrophobicContact CB-CD2 4.29Å; W770-L845 HydrophobicContact CE3-CD1 4.41Å |
| 771 | F | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.3 | -49.3 | 175.2 | 174.8 | -92 | 0 | 0 | 0 | 111.4 | Q767 I768 Q773 F774 V775 L786 F813 I815 L834 L836 L849 | Q767-F771 VanDerWaalsContact O-CB 3.29Å; Q767-F771 WeakPolarHBondContact O-CB 3.34Å; Q767-F771 PolarHBondContact O-N 2.57Å; I768-F771 PolarHBondContact O-N 3.37Å; F771-Q773 PolarHBondContact O-N 3.15Å; F771-F774 WeakPolarHBondContact O-CB 3.41Å; F771-F774 PolarHBondContact O-N 3.4Å; F771-V775 HydrophobicContact CD1-CG2 4.18Å; F771-V775 HydrophobicContact CE1-CG2 3.74Å; F771-V775 HydrophobicContact CE2-CG2 4.2Å; F771-V775 HydrophobicContact CZ-CG2 3.75Å; F771-V775 VanDerWaalsContact O-CG2 3.32Å; F771-V775 WeakPolarHBondContact O-CG2 3.45Å; F771-V775 PolarHBondContact O-N 2.89Å; F771-L786 HydrophobicContact CE2-CD1 4.44Å; F771-L786 HydrophobicContact CE2-CD2 3.97Å; F771-L786 HydrophobicContact CZ-CD2 3.87Å; F771-F813 HydrophobicContact CE1-CE1 4.36Å; F771-F813 HydrophobicContact CE1-CZ 4.48Å; F771-F813 HydrophobicContact CZ-CE1 4.25Å; F771-F813 AromaticContact CZ-CZ 3.94Å; F771-F813 HydrophobicContact CZ-CZ 3.94Å; F771-I815 HydrophobicContact CD1-CD1 3.5Å; F771-I815 HydrophobicContact CD2-CD1 4.16Å; F771-I815 HydrophobicContact CE1-CD1 3.56Å; F771-I815 HydrophobicContact CE2-CD1 4.2Å; F771-I815 HydrophobicContact CG-CD1 3.82Å; F771-I815 HydrophobicContact CZ-CD1 3.91Å; F771-L834 HydrophobicContact CD2-CD2 4.08Å; F771-L834 HydrophobicContact CE2-CD2 3.49Å; F771-L834 VanDerWaalsContact CE2-CD2 3.49Å; F771-L834 HydrophobicContact CZ-CD2 4.2Å; F771-L836 HydrophobicContact CB-CD2 4.35Å; F771-L849 HydrophobicContact CD2-CD1 3.9Å; F771-L849 HydrophobicContact CE2-CD1 4.4Å |
| 772 | W | 98 | Very high | 94.8 | Very high | 21 Ų | 21 | 59.4 Ų | 59.4 | 8% | 0.08 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.7 | -31.4 | 179.4 | -68.1 | 114.8 | 0 | 0 | 0 | 113.4 | W752 Q753 A756 Y758 I768 M769 W770 V775 K776 | W752-W772 HydrophobicContact CB-CH2 4.21Å; W752-W772 HydrophobicContact CB-CZ3 4.2Å; W752-W772 AromaticContact CD1-CH2 3.65Å; W752-W772 HydrophobicContact CD2-CH2 4.2Å; W752-W772 HydrophobicContact CD2-CZ3 4.1Å; W752-W772 AromaticContact CG-CH2 3.73Å; W752-W772 HydrophobicContact CG-CH2 3.73Å; W752-W772 AromaticContact CG-CZ3 3.9Å; W752-W772 HydrophobicContact CG-CZ3 3.9Å; Q753-W772 HydrophobicContact CB-CD2 4.08Å; Q753-W772 HydrophobicContact CB-CE3 4.02Å; Q753-W772 HydrophobicContact CB-CH2 3.99Å; Q753-W772 HydrophobicContact CB-CZ2 4.05Å; Q753-W772 HydrophobicContact CB-CZ3 3.97Å; Q753-W772 HydrophobicContact CG-CD2 3.82Å; Q753-W772 HydrophobicContact CG-CE3 4.26Å; Q753-W772 HydrophobicContact CG-CG 4.18Å; Q753-W772 HydrophobicContact CG-CH2 4.49Å; Q753-W772 HydrophobicContact CG-CZ2 4.07Å; A756-W772 HydrophobicContact CB-CH2 4.17Å; A756-W772 HydrophobicContact CB-CZ2 3.61Å; Y758-W772 AromaticContact CZ-NE1 3.87Å; Y758-W772 PolarHBondContact OH-NE1 3.35Å; I768-W772 PolarHBondContact O-N 2.76Å; I768-W772 VanDerWaalsContact O-N 3.08Å; M769-W772 PolarHBondContact O-N 3.11Å; W770-W772 PolarHBondContact O-N 2.87Å; W772-V775 HydrophobicContact CE3-CB 4.27Å; W772-V775 HydrophobicContact CE3-CG1 4.34Å; W772-V775 HydrophobicContact CE3-CG2 4.48Å; W772-V775 HydrophobicContact CZ3-CG1 4.36Å; W772-K776 WeakPolarHBondContact O-CB 3.24Å; W772-K776 PolarHBondContact O-N 3.22Å |
| 773 | Q | 96.9 | Very high | 94.5 | Very high | 83 Ų | 83 | 58 Ų | 58 | 39% | 0.388 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.3 | -48.4 | 169 | -179.4 | -176.9 | -17.4 | 0 | 0 | 110.7 | M769 W770 F771 V775 K776 E777 Y842 | M769-Q773 WeakPolarHBondContact O-CB 3.37Å; M769-Q773 PolarHBondContact O-N 2.8Å; W770-Q773 PolarHBondContact O-N 3.04Å; F771-Q773 PolarHBondContact O-N 3.15Å; Q773-V775 PolarHBondContact O-N 3.49Å; Q773-K776 WeakPolarHBondContact O-CB 3.21Å; Q773-K776 PolarHBondContact O-N 3.45Å; Q773-E777 WeakPolarHBondContact CG-OE1 3.1Å; Q773-E777 PolarHBondContact NE2-OE1 3.31Å; Q773-E777 PolarHBondContact O-N 3.01Å; Q773-Y842 HydrophobicContact CB-CE2 4.06Å; Q773-Y842 HydrophobicContact CG-CE2 3.92Å |
| 774 | F | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.3 | -50.4 | 176.5 | 165.3 | -103.9 | 0 | 0 | 0 | 111.7 | W770 F771 K776 E777 I778 L786 Y842 L845 K846 L849 L850 I853 | W770-F774 WeakPolarHBondContact O-CB 3.44Å; W770-F774 PolarHBondContact O-N 2.96Å; F771-F774 WeakPolarHBondContact O-CB 3.41Å; F771-F774 PolarHBondContact O-N 3.4Å; F774-K776 PolarHBondContact O-N 3.17Å; F774-E777 PolarHBondContact O-N 2.89Å; F774-E777 VanDerWaalsContact O-N 3.08Å; F774-I778 HydrophobicContact CD1-CD1 4.39Å; F774-I778 HydrophobicContact CD2-CG2 3.86Å; F774-I778 HydrophobicContact CE1-CD1 3.82Å; F774-I778 HydrophobicContact CE1-CG2 4.46Å; F774-I778 HydrophobicContact CE2-CG2 3.38Å; F774-I778 HydrophobicContact CZ-CD1 3.94Å; F774-I778 HydrophobicContact CZ-CG2 3.74Å; F774-I778 WeakPolarHBondContact O-CG1 3.29Å; F774-I778 PolarHBondContact O-N 2.76Å; F774-L786 HydrophobicContact CE1-CD2 4.41Å; F774-Y842 WeakPolarHBondContact CA-OH 3.43Å; F774-Y842 HydrophobicContact CB-CE2 4.08Å; F774-L845 HydrophobicContact CB-CD2 4.21Å; F774-K846 HydrophobicContact CD2-CB 4.29Å; F774-K846 HydrophobicContact CD2-CG 3.93Å; F774-K846 HydrophobicContact CE2-CG 4.16Å; F774-L849 HydrophobicContact CD1-CD1 3.8Å; F774-L849 HydrophobicContact CE1-CB 3.95Å; F774-L849 HydrophobicContact CE1-CD1 3.98Å; F774-L849 HydrophobicContact CG-CD1 4.41Å; F774-L849 HydrophobicContact CZ-CB 4.01Å; F774-L850 HydrophobicContact CE2-CD1 4.35Å; F774-L850 HydrophobicContact CE2-CD2 3.99Å; F774-L850 HydrophobicContact CE2-CG 3.77Å; F774-L850 HydrophobicContact CZ-CD2 4.09Å; F774-L850 HydrophobicContact CZ-CG 4.1Å; F774-I853 HydrophobicContact CZ-CD1 4.43Å |
| 775 | V | 96.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.4 | -33.8 | 179.2 | 173.5 | 0 | 0 | 0 | 0 | 112 | L749 W752 F771 W772 Q773 I778 R783 L786 | L749-V775 HydrophobicContact CD2-CG1 3.52Å; W752-V775 HydrophobicContact CE3-CG1 4.22Å; W752-V775 HydrophobicContact CZ3-CG1 4.15Å; F771-V775 HydrophobicContact CD1-CG2 4.18Å; F771-V775 HydrophobicContact CE1-CG2 3.74Å; F771-V775 HydrophobicContact CE2-CG2 4.2Å; F771-V775 HydrophobicContact CZ-CG2 3.75Å; F771-V775 VanDerWaalsContact O-CG2 3.32Å; F771-V775 WeakPolarHBondContact O-CG2 3.45Å; F771-V775 PolarHBondContact O-N 2.89Å; W772-V775 HydrophobicContact CE3-CB 4.27Å; W772-V775 HydrophobicContact CE3-CG1 4.34Å; W772-V775 HydrophobicContact CE3-CG2 4.48Å; W772-V775 HydrophobicContact CZ3-CG1 4.36Å; Q773-V775 PolarHBondContact O-N 3.49Å; V775-I778 WeakPolarHBondContact O-CG1 3.45Å; V775-R783 HydrophobicContact CG1-CG 4.38Å; V775-R783 PolarHBondContact O-NE 2.69Å; V775-L786 HydrophobicContact CG2-CD2 3.63Å |
| 776 | K | 95.8 | Very high | 93.2 | Very high | 157 Ų | 157 | 45 Ų | 45 | 68% | 0.683 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -72.9 | -37.5 | 175.9 | -170.7 | 177.6 | 179.7 | -179.8 | 0 | 112.7 | L749 W772 Q773 F774 R783 | L749-K776 HydrophobicContact CD1-CB 4.41Å; L749-K776 HydrophobicContact CD1-CG 4.43Å; W772-K776 WeakPolarHBondContact O-CB 3.24Å; W772-K776 PolarHBondContact O-N 3.22Å; Q773-K776 WeakPolarHBondContact O-CB 3.21Å; Q773-K776 PolarHBondContact O-N 3.45Å; F774-K776 PolarHBondContact O-N 3.17Å; K776-R783 PolarHBondContact O-NH2 3.3Å |
| 777 | E | 94.9 | Very high | 92.8 | Very high | 95 Ų | 95 | 38.2 Ų | 38.2 | 44% | 0.444 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -72.2 | -36.9 | -179.8 | -77.7 | 179 | -158.2 | 0 | 0 | 113.4 | Q773 F774 Y842 K846 | Q773-E777 WeakPolarHBondContact CG-OE1 3.1Å; Q773-E777 PolarHBondContact NE2-OE1 3.31Å; Q773-E777 PolarHBondContact O-N 3.01Å; F774-E777 PolarHBondContact O-N 2.89Å; F774-E777 VanDerWaalsContact O-N 3.08Å; E777-Y842 PolarHBondContact OE1-OH 3.31Å; E777-Y842 VanDerWaalsContact OE1-OH 3.06Å; E777-Y842 PolarHBondContact OE2-OH 2.84Å; E777-K846 IonicContact OE2-NZ 3.73Å; E777-K846 PolarHBondContact OE2-NZ 3.06Å |
| 778 | I | 92.4 | Very high | 92.2 | Very high | 14 Ų | 14 | 37 Ų | 37 | 7% | 0.072 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -73.7 | 153.2 | -179.5 | 63.2 | 175.8 | 0 | 0 | 0 | 112.3 | F774 V775 K782 R783 | F774-I778 HydrophobicContact CD1-CD1 4.39Å; F774-I778 HydrophobicContact CD2-CG2 3.86Å; F774-I778 HydrophobicContact CE1-CD1 3.82Å; F774-I778 HydrophobicContact CE1-CG2 4.46Å; F774-I778 HydrophobicContact CE2-CG2 3.38Å; F774-I778 HydrophobicContact CZ-CD1 3.94Å; F774-I778 HydrophobicContact CZ-CG2 3.74Å; F774-I778 WeakPolarHBondContact O-CG1 3.29Å; F774-I778 PolarHBondContact O-N 2.76Å; V775-I778 WeakPolarHBondContact O-CG1 3.45Å; I778-K782 HydrophobicContact CB-CB 3.88Å; I778-K782 HydrophobicContact CB-CD 4.11Å; I778-K782 HydrophobicContact CD1-CB 3.88Å; I778-K782 HydrophobicContact CG1-CB 4.24Å; I778-K782 HydrophobicContact CG2-CB 4.48Å; I778-K782 HydrophobicContact CG2-CD 4.15Å; I778-R783 HydrophobicContact CD1-CG 3.93Å; I778-R783 HydrophobicContact CG1-CG 3.82Å; I778-R783 PolarHBondContact O-NE 2.99Å; I778-R783 VanDerWaalsContact O-NE 3.15Å; I778-R783 PolarHBondContact O-NH2 2.97Å |
| 779 | D | 88.4 | Confident | 91.6 | Very high | 68 Ų | 68 | 37.7 Ų | 37.7 | 36% | 0.364 | 17% | 0.172 | S | C | . | . | trans | -70.9 | 169.2 | 175.4 | 57.4 | 38.8 | 0 | 0 | 0 | 113 | E781 K782 R783 | D779-E781 VanDerWaalsContact C-N 3.25Å; D779-E781 PolarHBondContact O-N 3.19Å; D779-E781 PolarHBondContact OD1-N 3.39Å; D779-K782 PolarHBondContact O-N 3.42Å; D779-K782 WeakPolarHBondContact OD1-CB 3.39Å; D779-K782 VanDerWaalsContact OD1-CG 3.28Å; D779-K782 WeakPolarHBondContact OD1-CG 3.37Å; D779-K782 PolarHBondContact OD1-N 3.28Å; D779-K782 IonicContact OD1-NZ 2.74Å; D779-K782 IonicContact OD2-NZ 2.86Å; D779-K782 PolarHBondContact OD2-NZ 3.04Å; D779-R783 WeakPolarHBondContact O-CG 3.41Å; D779-R783 PolarHBondContact O-N 3Å | ||
| 780 | N | 86.4 | Confident | 91.1 | Very high | 24 Ų | 24 | 32.2 Ų | 32.2 | 13% | 0.128 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.6 | -29.9 | -177.2 | -164.8 | 67.2 | 0 | 0 | 0 | 113.3 | Q745 I747 R783 M784 | Q745-N780 PolarHBondContact O-ND2 3.29Å; I747-N780 PolarHBondContact N-OD1 3.11Å; I747-N780 VanDerWaalsContact N-OD1 3.11Å; N780-R783 PolarHBondContact O-N 2.84Å; N780-M784 WeakPolarHBondContact O-CG 3.2Å; N780-M784 PolarHBondContact O-N 3.15Å |
| 781 | E | 83.1 | Confident | 90.3 | Very high | 24 Ų | 24 | 30 Ų | 30 | 11% | 0.112 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.4 | -49 | 175.8 | -176.4 | -173.8 | 143 | 0 | 0 | 111.1 | F487 M744 D779 R783 M784 R785 | F487-E781 WeakPolarHBondContact CB-OE1 3.37Å; M744-E781 HydrophobicContact CE-CB 3.95Å; M744-E781 HydrophobicContact CE-CG 4.34Å; D779-E781 VanDerWaalsContact C-N 3.25Å; D779-E781 PolarHBondContact O-N 3.19Å; D779-E781 PolarHBondContact OD1-N 3.39Å; E781-R783 VanDerWaalsContact C-N 3.33Å; E781-R783 PolarHBondContact O-N 2.73Å; E781-M784 WeakPolarHBondContact O-CB 3.39Å; E781-M784 PolarHBondContact O-N 2.98Å; E781-R785 PolarHBondContact O-N 3.35Å; E781-R785 IonicContact OE1-CZ 2.84Å; E781-R785 IonicContact OE1-NH2 2.73Å |
| 782 | K | 86.8 | Confident | 89.3 | Confident | 51 Ų | 51 | 31.5 Ų | 31.5 | 22% | 0.222 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.9 | -33.9 | 177 | -69.9 | 175.1 | -172.3 | 66 | 0 | 111.9 | I778 D779 M784 R785 L786 L850 I853 | I778-K782 HydrophobicContact CB-CB 3.88Å; I778-K782 HydrophobicContact CB-CD 4.11Å; I778-K782 HydrophobicContact CD1-CB 3.88Å; I778-K782 HydrophobicContact CG1-CB 4.24Å; I778-K782 HydrophobicContact CG2-CB 4.48Å; I778-K782 HydrophobicContact CG2-CD 4.15Å; D779-K782 PolarHBondContact O-N 3.42Å; D779-K782 WeakPolarHBondContact OD1-CB 3.39Å; D779-K782 VanDerWaalsContact OD1-CG 3.28Å; D779-K782 WeakPolarHBondContact OD1-CG 3.37Å; D779-K782 PolarHBondContact OD1-N 3.28Å; D779-K782 IonicContact OD1-NZ 2.74Å; D779-K782 IonicContact OD2-NZ 2.86Å; D779-K782 PolarHBondContact OD2-NZ 3.04Å; K782-M784 VanDerWaalsContact C-N 3.34Å; K782-R785 PolarHBondContact O-N 3.17Å; K782-L786 WeakPolarHBondContact O-CB 3.26Å; K782-L786 PolarHBondContact O-N 2.81Å; K782-L850 HydrophobicContact CD-CD2 4Å; K782-I853 HydrophobicContact CB-CD1 4.4Å |
| 783 | R | 90.8 | Very high | 88.3 | Confident | 45 Ų | 45 | 31.5 Ų | 31.5 | 17% | 0.17 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.3 | -42.6 | 172.1 | -66.7 | 172.8 | -170 | 150.9 | 8.1 | 111.5 | I747 W752 V775 K776 I778 D779 N780 E781 L786 L787 | I747-R783 HydrophobicContact CD1-CB 3.7Å; W752-R783 HydrophobicContact CZ3-CB 4.41Å; V775-R783 HydrophobicContact CG1-CG 4.38Å; V775-R783 PolarHBondContact O-NE 2.69Å; K776-R783 PolarHBondContact O-NH2 3.3Å; I778-R783 HydrophobicContact CD1-CG 3.93Å; I778-R783 HydrophobicContact CG1-CG 3.82Å; I778-R783 PolarHBondContact O-NE 2.99Å; I778-R783 VanDerWaalsContact O-NE 3.15Å; I778-R783 PolarHBondContact O-NH2 2.97Å; D779-R783 WeakPolarHBondContact O-CG 3.41Å; D779-R783 PolarHBondContact O-N 3Å; N780-R783 PolarHBondContact O-N 2.84Å; E781-R783 VanDerWaalsContact C-N 3.33Å; E781-R783 PolarHBondContact O-N 2.73Å; R783-L786 WeakPolarHBondContact O-CB 3.19Å; R783-L786 PolarHBondContact O-N 3.4Å; R783-L787 PolarHBondContact O-N 3.02Å |
| 784 | M | 84.9 | Confident | 87.4 | Confident | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.015 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.5 | -41.8 | 175.1 | -79.5 | -179.8 | 39.6 | 0 | 0 | 112.4 | V739 M744 I747 N780 E781 K782 L786 L787 Q788 C794 | V739-M784 HydrophobicContact CB-CE 4.24Å; V739-M784 HydrophobicContact CG1-CE 3.65Å; V739-M784 HydrophobicContact CG2-CE 3.51Å; M744-M784 VanDerWaalsContact CA-SD 3.56Å; M744-M784 HydrophobicContact CB-CE 3.98Å; M744-M784 HydrophobicContact CB-SD 3.5Å; M744-M784 VanDerWaalsContact CB-SD 3.5Å; M744-M784 HydrophobicContact CE-CE 4.17Å; M744-M784 HydrophobicContact CE-SD 3.63Å; M744-M784 HydrophobicContact CG-CE 3.66Å; M744-M784 HydrophobicContact CG-SD 3.73Å; I747-M784 HydrophobicContact CD1-CB 4.39Å; I747-M784 HydrophobicContact CD1-CG 3.76Å; I747-M784 HydrophobicContact CG1-CG 4.42Å; N780-M784 WeakPolarHBondContact O-CG 3.2Å; N780-M784 PolarHBondContact O-N 3.15Å; E781-M784 WeakPolarHBondContact O-CB 3.39Å; E781-M784 PolarHBondContact O-N 2.98Å; K782-M784 VanDerWaalsContact C-N 3.34Å; M784-L786 VanDerWaalsContact C-N 3.29Å; M784-L786 PolarHBondContact O-N 3.06Å; M784-L787 WeakPolarHBondContact O-CB 3.29Å; M784-L787 PolarHBondContact O-N 2.88Å; M784-L787 VanDerWaalsContact O-N 3.14Å; M784-Q788 PolarHBondContact O-N 2.81Å; M784-C794 HydrophobicContact CE-CB 4.08Å |
| 785 | R | 84.7 | Confident | 86.5 | Confident | 22 Ų | 22 | 30.9 Ų | 30.9 | 8% | 0.083 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.7 | -38.5 | 174.2 | -76.5 | -168.5 | 173.6 | 157.6 | 1.1 | 112.1 | E736 E781 K782 Q788 F789 I853 | E736-R785 IonicContact OE1-NH2 2.78Å; E736-R785 PolarHBondContact OE1-NH2 3.16Å; E781-R785 PolarHBondContact O-N 3.35Å; E781-R785 IonicContact OE1-CZ 2.84Å; E781-R785 IonicContact OE1-NH2 2.73Å; K782-R785 PolarHBondContact O-N 3.17Å; R785-Q788 PolarHBondContact O-N 3.06Å; R785-F789 VanDerWaalsContact O-CB 3.29Å; R785-F789 WeakPolarHBondContact O-CB 3.29Å; R785-F789 PolarHBondContact O-N 3.29Å; R785-I853 HydrophobicContact CB-CB 4.47Å |
| 786 | L | 91 | Very high | 85.7 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.3 | -41.9 | 172.8 | 178.1 | 63.3 | 0 | 0 | 0 | 111.8 | W752 F771 F774 V775 K782 R783 M784 F789 V790 I853 | W752-L786 HydrophobicContact CH2-CB 4.39Å; W752-L786 HydrophobicContact CH2-CD2 3.92Å; W752-L786 HydrophobicContact CH2-CG 4.04Å; W752-L786 HydrophobicContact CZ2-CD2 4.44Å; W752-L786 HydrophobicContact CZ2-CG 4.47Å; F771-L786 HydrophobicContact CE2-CD1 4.44Å; F771-L786 HydrophobicContact CE2-CD2 3.97Å; F771-L786 HydrophobicContact CZ-CD2 3.87Å; F774-L786 HydrophobicContact CE1-CD2 4.41Å; V775-L786 HydrophobicContact CG2-CD2 3.63Å; K782-L786 WeakPolarHBondContact O-CB 3.26Å; K782-L786 PolarHBondContact O-N 2.81Å; R783-L786 WeakPolarHBondContact O-CB 3.19Å; R783-L786 PolarHBondContact O-N 3.4Å; M784-L786 VanDerWaalsContact C-N 3.29Å; M784-L786 PolarHBondContact O-N 3.06Å; L786-F789 WeakPolarHBondContact O-CB 3.27Å; L786-F789 PolarHBondContact O-N 3.09Å; L786-V790 HydrophobicContact CD1-CG2 4.29Å; L786-V790 WeakPolarHBondContact O-CG2 3.29Å; L786-V790 PolarHBondContact O-N 3.42Å; L786-V790 VanDerWaalsContact O-N 3.08Å; L786-I853 HydrophobicContact CB-CG2 4.22Å; L786-I853 HydrophobicContact CD1-CG2 3.82Å |
| 787 | L | 89.8 | Confident | 84.8 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.7 | -48.3 | 174.6 | -177.9 | 66.1 | 0 | 0 | 0 | 111.2 | I747 W752 R783 M784 F789 V790 T791 L796 F801 | I747-L787 HydrophobicContact CD1-CB 4.43Å; I747-L787 HydrophobicContact CD1-CD2 4.32Å; W752-L787 HydrophobicContact CH2-CB 4.3Å; W752-L787 HydrophobicContact CZ2-CD1 4.43Å; R783-L787 PolarHBondContact O-N 3.02Å; M784-L787 WeakPolarHBondContact O-CB 3.29Å; M784-L787 PolarHBondContact O-N 2.88Å; M784-L787 VanDerWaalsContact O-N 3.14Å; L787-F789 VanDerWaalsContact C-N 3.3Å; L787-F789 PolarHBondContact O-N 2.83Å; L787-V790 PolarHBondContact O-N 3.41Å; L787-T791 HydrophobicContact CD1-CG2 3.69Å; L787-T791 HydrophobicContact CG-CG2 4.46Å; L787-T791 WeakPolarHBondContact O-CB 3.41Å; L787-T791 PolarHBondContact O-N 2.98Å; L787-T791 PolarHBondContact O-OG1 3.27Å; L787-L796 HydrophobicContact CD1-CD2 3.99Å; L787-L796 HydrophobicContact CD2-CD2 3.73Å; L787-L796 HydrophobicContact CD2-CG 3.95Å; L787-L796 HydrophobicContact CG-CD2 4.49Å; L787-F801 HydrophobicContact CD1-CE1 3.78Å; L787-F801 HydrophobicContact CD1-CZ 4.1Å |
| 788 | Q | 84.5 | Confident | 83.7 | Confident | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.019 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.9 | -38.2 | 174.8 | -76.8 | 177.7 | -50.2 | 0 | 0 | 112.4 | K735 E738 M784 R785 V790 G792 T793 C794 | K735-Q788 HydrophobicContact CD-CB 4.2Å; K735-Q788 PolarHBondContact O-NE2 3.35Å; E738-Q788 PolarHBondContact OE2-NE2 3.25Å; M784-Q788 PolarHBondContact O-N 2.81Å; R785-Q788 PolarHBondContact O-N 3.06Å; Q788-V790 VanDerWaalsContact C-N 3.31Å; Q788-V790 PolarHBondContact O-N 3.09Å; Q788-G792 WeakPolarHBondContact O-CA 3.42Å; Q788-G792 PolarHBondContact O-N 3.5Å; Q788-T793 WeakPolarHBondContact CA-O 3.43Å; Q788-T793 VanDerWaalsContact CG-C 3.5Å; Q788-C794 HydrophobicContact CG-CB 3.63Å |
| 789 | F | 86.6 | Confident | 83 | Confident | 16 Ų | 16 | 26.5 Ų | 26.5 | 7% | 0.07 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.4 | -43.5 | 176.8 | 179 | -112.3 | 0 | 0 | 0 | 111.1 | R785 L786 L787 S827 L834 A852 I853 T856 | R785-F789 VanDerWaalsContact O-CB 3.29Å; R785-F789 WeakPolarHBondContact O-CB 3.29Å; R785-F789 PolarHBondContact O-N 3.29Å; L786-F789 WeakPolarHBondContact O-CB 3.27Å; L786-F789 PolarHBondContact O-N 3.09Å; L787-F789 VanDerWaalsContact C-N 3.3Å; L787-F789 PolarHBondContact O-N 2.83Å; F789-S827 WeakPolarHBondContact O-CB 3.42Å; F789-S827 PolarHBondContact O-OG 3.16Å; F789-L834 HydrophobicContact CD1-CD1 4.14Å; F789-L834 HydrophobicContact CE1-CD1 3.69Å; F789-A852 HydrophobicContact CE1-CB 4.49Å; F789-A852 HydrophobicContact CZ-CB 4.09Å; F789-I853 HydrophobicContact CB-CG2 4.03Å; F789-I853 HydrophobicContact CD1-CG2 4.17Å; F789-I853 HydrophobicContact CG-CG2 4.11Å; F789-T856 HydrophobicContact CD2-CG2 3.52Å; F789-T856 HydrophobicContact CE2-CG2 4.02Å |
| 790 | V | 87.8 | Confident | 82.9 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -87.9 | -32.4 | -174.2 | -178.9 | 0 | 0 | 0 | 0 | 113.7 | L786 L787 Q788 F813 T829 N832 L834 | L786-V790 HydrophobicContact CD1-CG2 4.29Å; L786-V790 WeakPolarHBondContact O-CG2 3.29Å; L786-V790 PolarHBondContact O-N 3.42Å; L786-V790 VanDerWaalsContact O-N 3.08Å; L787-V790 PolarHBondContact O-N 3.41Å; Q788-V790 VanDerWaalsContact C-N 3.31Å; Q788-V790 PolarHBondContact O-N 3.09Å; V790-F813 HydrophobicContact CB-CD2 4.33Å; V790-F813 HydrophobicContact CB-CE2 3.7Å; V790-F813 HydrophobicContact CG1-CD2 3.75Å; V790-F813 HydrophobicContact CG1-CE2 3.41Å; V790-F813 VanDerWaalsContact CG1-CE2 3.41Å; V790-F813 HydrophobicContact CG1-CZ 4.26Å; V790-F813 HydrophobicContact CG2-CE2 3.85Å; V790-F813 HydrophobicContact CG2-CZ 4.33Å; V790-T829 WeakPolarHBondContact O-CA 3.43Å; V790-N832 VanDerWaalsContact CG1-C 3.45Å; V790-N832 WeakPolarHBondContact CG1-O 3.47Å; V790-L834 HydrophobicContact CG1-CB 4.26Å; V790-L834 HydrophobicContact CG2-CB 3.9Å; V790-L834 HydrophobicContact CG2-CD1 4.08Å; V790-L834 HydrophobicContact CG2-CG 4.39Å |
| 791 | T | 82.3 | Confident | 83.1 | Confident | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -108.8 | -17.8 | -173.4 | 68.3 | 0 | 0 | 0 | 0 | 113.1 | Y579 L787 T793 N832 | Y579-T791 PolarHBondContact OH-O 3.38Å; L787-T791 HydrophobicContact CD1-CG2 3.69Å; L787-T791 HydrophobicContact CG-CG2 4.46Å; L787-T791 WeakPolarHBondContact O-CB 3.41Å; L787-T791 PolarHBondContact O-N 2.98Å; L787-T791 PolarHBondContact O-OG1 3.27Å; T791-T793 VanDerWaalsContact C-N 3.29Å; T791-T793 PolarHBondContact OG1-N 2.99Å; T791-T793 PolarHBondContact OG1-O 3.27Å; T791-N832 WeakPolarHBondContact CA-OD1 3.42Å; T791-N832 VanDerWaalsContact CB-OD1 3.31Å; T791-N832 WeakPolarHBondContact CB-OD1 3.26Å; T791-N832 HydrophobicContact CG2-CB 4.29Å; T791-N832 WeakPolarHBondContact CG2-OD1 3.49Å |
| 792 | G | 76.7 | Confident | 83.4 | Confident | 33 Ų | 33 | 23.1 Ų | 23.1 | 34% | 0.34 | 14% | 0.137 | S | C | . | . | S | Bend | trans | 83.1 | -1.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q788 | Q788-G792 WeakPolarHBondContact O-CA 3.42Å; Q788-G792 PolarHBondContact O-N 3.5Å |
| 793 | T | 75.7 | Confident | 83.4 | Confident | 21 Ų | 21 | 25.2 Ų | 25.2 | 13% | 0.129 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -140.5 | 154.8 | 176.4 | -177.5 | 0 | 0 | 0 | 0 | 111.8 | E738 Q788 T791 R795 | E738-T793 WeakPolarHBondContact OE1-CA 3.38Å; E738-T793 WeakPolarHBondContact OE1-CB 3.32Å; E738-T793 PolarHBondContact OE1-OG1 2.95Å; Q788-T793 WeakPolarHBondContact CA-O 3.43Å; Q788-T793 VanDerWaalsContact CG-C 3.5Å; T791-T793 VanDerWaalsContact C-N 3.29Å; T791-T793 PolarHBondContact OG1-N 2.99Å; T791-T793 PolarHBondContact OG1-O 3.27Å; T793-R795 VanDerWaalsContact C-N 3.32Å; T793-R795 PolarHBondContact OG1-N 2.98Å |
| 794 | C | 79.1 | Confident | 83.1 | Confident | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.014 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -85.7 | -2.2 | 172 | 66.1 | 0 | 0 | 0 | 0 | 113.9 | E738 V739 M784 Q788 | E738-C794 PolarHBondContact OE1-N 2.94Å; E738-C794 PolarHBondContact OE2-N 3.1Å; V739-C794 HydrophobicContact CG2-CB 4.02Å; M784-C794 HydrophobicContact CE-CB 4.08Å; Q788-C794 HydrophobicContact CG-CB 3.63Å |
| 795 | R | 77.6 | Confident | 82.7 | Confident | 67 Ų | 67 | 26.5 Ų | 26.5 | 25% | 0.253 | 16% | 0.159 | S | C | . | . | trans | -91 | 146.7 | -175.7 | -60.1 | -165.4 | -56.3 | 164.8 | -3.7 | 112.3 | D615 S617 C742 T793 | D615-R795 PolarHBondContact O-NH1 2.8Å; D615-R795 IonicContact OD1-NH1 3.29Å; D615-R795 PolarHBondContact OD1-NH1 2.88Å; S617-R795 VanDerWaalsContact CB-CZ 3.42Å; C742-R795 HydrophobicContact CB-CG 4.44Å; T793-R795 VanDerWaalsContact C-N 3.32Å; T793-R795 PolarHBondContact OG1-N 2.98Å | ||
| 796 | L | 80.4 | Confident | 82.2 | Confident | 20 Ų | 20 | 25.5 Ų | 25.5 | 11% | 0.105 | 16% | 0.156 | C | C | . | . | trans | -109.3 | 146.8 | 164.9 | -64.7 | 175.6 | 0 | 0 | 0 | 110.7 | L787 F801 L804 | L787-L796 HydrophobicContact CD1-CD2 3.99Å; L787-L796 HydrophobicContact CD2-CD2 3.73Å; L787-L796 HydrophobicContact CD2-CG 3.95Å; L787-L796 HydrophobicContact CG-CD2 4.49Å; L796-F801 HydrophobicContact CD1-CD2 3.95Å; L796-F801 HydrophobicContact CD1-CE2 3.37Å; L796-F801 HydrophobicContact CD1-CZ 3.77Å; L796-F801 HydrophobicContact CD2-CD1 4.22Å; L796-F801 HydrophobicContact CD2-CD2 4.34Å; L796-F801 HydrophobicContact CD2-CE1 3.84Å; L796-F801 HydrophobicContact CD2-CE2 4Å; L796-F801 HydrophobicContact CD2-CG 4.45Å; L796-F801 HydrophobicContact CD2-CZ 3.72Å; L796-F801 HydrophobicContact CG-CE2 4.37Å; L796-F801 HydrophobicContact CG-CZ 4.4Å; L796-L804 HydrophobicContact CD2-CD2 4.16Å | ||
| 797 | P | 77.8 | Confident | 81.1 | Confident | 39 Ų | 39 | 26.4 Ų | 26.4 | 25% | 0.253 | 16% | 0.162 | S | C | . | . | trans | -57.6 | 162 | 167.7 | -21.8 | 32.5 | 0 | 0 | 0 | 112.3 | G799 G800 D803 L804 | P797-G799 PolarHBondContact O-N 3.08Å; P797-G800 PolarHBondContact O-N 3.19Å; P797-D803 HydrophobicContact CB-CB 3.93Å; P797-D803 HydrophobicContact CG-CB 4.43Å; P797-D803 VanDerWaalsContact CG-O 3.28Å; P797-D803 WeakPolarHBondContact CG-O 3.47Å; P797-L804 HydrophobicContact CG-CD2 4.42Å | ||
| 798 | L | 72 | Confident | 80 | Confident | 79 Ų | 79 | 32.6 Ų | 32.6 | 41% | 0.414 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -34.2 | -178.8 | -62.4 | 179.4 | 0 | 0 | 0 | 113.2 | A369 Q372 G800 | A369-L798 HydrophobicContact CB-CD1 4.05Å; A369-L798 HydrophobicContact CB-CD2 3.69Å; A369-L798 HydrophobicContact CB-CG 4.49Å; Q372-L798 PolarHBondContact NE2-O 2.69Å; L798-G800 VanDerWaalsContact C-N 3.27Å; L798-G800 PolarHBondContact O-N 3.08Å |
| 799 | G | 76.6 | Confident | 79.5 | Confident | 38 Ų | 38 | 32.5 Ų | 32.5 | 39% | 0.392 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 11.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | P797 D803 | P797-G799 PolarHBondContact O-N 3.08Å; G799-D803 VanDerWaalsContact CA-OD2 3.31Å; G799-D803 WeakPolarHBondContact CA-OD2 3.47Å |
| 800 | G | 86 | Confident | 79.2 | Confident | 12 Ų | 12 | 37.3 Ų | 37.3 | 12% | 0.124 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | 74 | -147.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P797 L798 A802 D803 | P797-G800 PolarHBondContact O-N 3.19Å; L798-G800 VanDerWaalsContact C-N 3.27Å; L798-G800 PolarHBondContact O-N 3.08Å; G800-A802 PolarHBondContact O-N 3.49Å; G800-D803 PolarHBondContact O-N 3.18Å |
| 801 | F | 91.1 | Very high | 79.1 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -70 | -16.1 | -175.8 | -76 | -90.8 | 0 | 0 | 0 | 113.9 | I747 D751 W752 H755 L787 L796 D803 L804 | I747-F801 HydrophobicContact CG2-CE2 3.98Å; I747-F801 HydrophobicContact CG2-CZ 4.04Å; D751-F801 HydrophobicContact CB-CD2 4.43Å; D751-F801 WeakPolarHBondContact OD2-CD2 3.17Å; D751-F801 PolarHBondContact OD2-N 3.5Å; W752-F801 VanDerWaalsContact CA-CD2 3.49Å; W752-F801 HydrophobicContact CB-CD1 4.18Å; W752-F801 HydrophobicContact CB-CD2 3.7Å; W752-F801 HydrophobicContact CB-CE1 4.03Å; W752-F801 HydrophobicContact CB-CE2 3.5Å; W752-F801 HydrophobicContact CB-CG 4.04Å; W752-F801 HydrophobicContact CB-CZ 3.69Å; W752-F801 AromaticContact CD1-CD1 3.33Å; W752-F801 AromaticContact CD1-CE1 3.18Å; W752-F801 AromaticContact CD1-CZ 3.71Å; W752-F801 HydrophobicContact CD2-CD1 4.41Å; W752-F801 AromaticContact CD2-CE1 3.55Å; W752-F801 HydrophobicContact CD2-CE1 3.55Å; W752-F801 HydrophobicContact CD2-CE2 4.11Å; W752-F801 AromaticContact CD2-CZ 3.36Å; W752-F801 HydrophobicContact CD2-CZ 3.36Å; W752-F801 AromaticContact CE2-CE1 3.5Å; W752-F801 AromaticContact CE2-CZ 3.77Å; W752-F801 HydrophobicContact CE3-CE1 4.39Å; W752-F801 HydrophobicContact CE3-CE2 4.47Å; W752-F801 AromaticContact CE3-CZ 3.8Å; W752-F801 HydrophobicContact CE3-CZ 3.8Å; W752-F801 AromaticContact CG-CD1 3.76Å; W752-F801 HydrophobicContact CG-CD1 3.76Å; W752-F801 HydrophobicContact CG-CD2 4.12Å; W752-F801 AromaticContact CG-CE1 3.36Å; W752-F801 HydrophobicContact CG-CE1 3.36Å; W752-F801 AromaticContact CG-CE2 3.73Å; W752-F801 HydrophobicContact CG-CE2 3.73Å; W752-F801 HydrophobicContact CG-CG 4.14Å; W752-F801 AromaticContact CG-CZ 3.33Å; W752-F801 HydrophobicContact CG-CZ 3.33Å; W752-F801 HydrophobicContact CZ2-CE1 4.27Å; W752-F801 HydrophobicContact CZ2-CZ 4.47Å; W752-F801 HydrophobicContact CZ3-CZ 4.49Å; W752-F801 AromaticContact NE1-CD1 3.8Å; W752-F801 AromaticContact NE1-CE1 3.32Å; W752-F801 VanDerWaalsContact NE1-CE1 3.32Å; W752-F801 AromaticContact NE1-CZ 3.99Å; H755-F801 HydrophobicContact CB-CB 3.93Å; L787-F801 HydrophobicContact CD1-CE1 3.78Å; L787-F801 HydrophobicContact CD1-CZ 4.1Å; L796-F801 HydrophobicContact CD1-CD2 3.95Å; L796-F801 HydrophobicContact CD1-CE2 3.37Å; L796-F801 HydrophobicContact CD1-CZ 3.77Å; L796-F801 HydrophobicContact CD2-CD1 4.22Å; L796-F801 HydrophobicContact CD2-CD2 4.34Å; L796-F801 HydrophobicContact CD2-CE1 3.84Å; L796-F801 HydrophobicContact CD2-CE2 4Å; L796-F801 HydrophobicContact CD2-CG 4.45Å; L796-F801 HydrophobicContact CD2-CZ 3.72Å; L796-F801 HydrophobicContact CG-CE2 4.37Å; L796-F801 HydrophobicContact CG-CZ 4.4Å; F801-D803 VanDerWaalsContact C-N 3.32Å; F801-L804 HydrophobicContact CB-CD1 4.42Å; F801-L804 HydrophobicContact CD1-CD1 3.56Å; F801-L804 HydrophobicContact CD1-CG 4.42Å; F801-L804 HydrophobicContact CE1-CD1 4.25Å; F801-L804 HydrophobicContact CG-CD1 4.37Å |
| 802 | A | 89.8 | Confident | 79.6 | Confident | 32 Ų | 32 | 43.5 Ų | 43.5 | 26% | 0.264 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -65.6 | -37.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G800 | G800-A802 PolarHBondContact O-N 3.49Š|
| 803 | D | 85.3 | Confident | 80.5 | Confident | 94 Ų | 94 | 42 Ų | 42 | 50% | 0.503 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -102.2 | 16 | -171.5 | -67.5 | -12.2 | 0 | 0 | 0 | 112.4 | P797 G799 G800 F801 M805 | P797-D803 HydrophobicContact CB-CB 3.93Å; P797-D803 HydrophobicContact CG-CB 4.43Å; P797-D803 VanDerWaalsContact CG-O 3.28Å; P797-D803 WeakPolarHBondContact CG-O 3.47Å; G799-D803 VanDerWaalsContact CA-OD2 3.31Å; G799-D803 WeakPolarHBondContact CA-OD2 3.47Å; G800-D803 PolarHBondContact O-N 3.18Å; F801-D803 VanDerWaalsContact C-N 3.32Å; D803-M805 WeakPolarHBondContact O-CG 3.39Å; D803-M805 PolarHBondContact O-N 2.64Å |
| 804 | L | 84.4 | Confident | 81.5 | Confident | 8 Ų | 8 | 41 Ų | 41 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | trans | -54.3 | 135.7 | 175.7 | -86.3 | 173.5 | 0 | 0 | 0 | 110.8 | L796 P797 F801 Q811 F813 | L796-L804 HydrophobicContact CD2-CD2 4.16Å; P797-L804 HydrophobicContact CG-CD2 4.42Å; F801-L804 HydrophobicContact CB-CD1 4.42Å; F801-L804 HydrophobicContact CD1-CD1 3.56Å; F801-L804 HydrophobicContact CD1-CG 4.42Å; F801-L804 HydrophobicContact CE1-CD1 4.25Å; F801-L804 HydrophobicContact CG-CD1 4.37Å; L804-Q811 CarbonylContact C-O 3.57Å; L804-Q811 VanDerWaalsContact CB-O 3.3Å; L804-Q811 WeakPolarHBondContact CB-O 3.29Å; L804-Q811 CarbonylContact O-C 3.54Å; L804-Q811 PolarHBondContact O-N 3.15Å; L804-F813 HydrophobicContact CD1-CB 3.9Å | ||
| 805 | M | 77.7 | Confident | 82.4 | Confident | 68 Ų | 68 | 41 Ų | 41 | 34% | 0.335 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 152.1 | -179.4 | -57.2 | -126.1 | 70.3 | 0 | 0 | 109.2 | Y579 D803 G809 P810 N832 | Y579-M805 HydrophobicContact CD2-CB 3.93Å; Y579-M805 HydrophobicContact CE2-CB 4.26Å; Y579-M805 WeakPolarHBondContact CE2-O 3.11Å; D803-M805 WeakPolarHBondContact O-CG 3.39Å; D803-M805 PolarHBondContact O-N 2.64Å; M805-G809 CarbonylContact C-O 3.57Å; M805-P810 HydrophobicContact CE-CB 4.31Å; M805-P810 HydrophobicContact CE-CG 3.77Å; M805-P810 VanDerWaalsContact CE-N 3.26Å; M805-N832 PolarHBondContact O-ND2 2.66Å |
| 806 | G | 73.8 | Confident | 83.4 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | -165.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110 | N808 G809 C830 | G806-N808 PolarHBondContact O-N 3.32Å; G806-G809 PolarHBondContact N-O 3.24Å; G806-G809 PolarHBondContact O-N 3.05Å; G806-C830 CarbonylContact C-O 3.52Å; G806-C830 VanDerWaalsContact CA-O 3.27Å; G806-C830 WeakPolarHBondContact CA-O 3.48Å |
| 807 | S | 67.3 | Low | 84.1 | Confident | 20 Ų | 20 | 42.8 Ų | 42.8 | 14% | 0.14 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -18.5 | -177.1 | 65.4 | 0 | 0 | 0 | 0 | 114.8 | D577 C830 | D577-S807 VanDerWaalsContact OD2-O 3.06Å; S807-C830 PolarHBondContact N-O 3.28Å |
| 808 | N | 68.1 | Low | 84.8 | Confident | 129 Ų | 129 | 42.8 Ų | 42.8 | 69% | 0.69 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -120.4 | 24 | -175.5 | -56.3 | -7.4 | 0 | 0 | 0 | 111.8 | D577 G806 | D577-N808 WeakPolarHBondContact OD2-CA 3.41Å; D577-N808 PolarHBondContact OD2-N 3.43Å; G806-N808 PolarHBondContact O-N 3.32Å |
| 809 | G | 73.4 | Confident | 85.7 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 102.8 | -149.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | D577 M805 G806 Q811 | D577-G809 VanDerWaalsContact CG-N 3.31Å; D577-G809 WeakPolarHBondContact OD2-CA 3.35Å; D577-G809 PolarHBondContact OD2-N 3.39Å; M805-G809 CarbonylContact C-O 3.57Å; G806-G809 PolarHBondContact N-O 3.24Å; G806-G809 PolarHBondContact O-N 3.05Å; G809-Q811 PolarHBondContact O-N 2.92Å; G809-Q811 VanDerWaalsContact O-N 3.11Å |
| 810 | P | 81.3 | Confident | 86.3 | Confident | 117 Ų | 117 | 45.4 Ų | 45.4 | 76% | 0.76 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 115.9 | -177.3 | -24.9 | 34.1 | 0 | 0 | 0 | 112 | M805 | M805-P810 HydrophobicContact CE-CB 4.31Å; M805-P810 HydrophobicContact CE-CG 3.77Å; M805-P810 VanDerWaalsContact CE-N 3.26Å |
| 811 | Q | 84.2 | Confident | 86.3 | Confident | 44 Ų | 44 | 48 Ų | 48 | 21% | 0.206 | 26% | 0.258 | C | S | . | . | trans | -144.5 | 106.2 | -171.9 | -179 | 57.6 | 62.5 | 0 | 0 | 110.3 | L804 G809 F831 N832 | L804-Q811 CarbonylContact C-O 3.57Å; L804-Q811 VanDerWaalsContact CB-O 3.3Å; L804-Q811 WeakPolarHBondContact CB-O 3.29Å; L804-Q811 CarbonylContact O-C 3.54Å; L804-Q811 PolarHBondContact O-N 3.15Å; G809-Q811 PolarHBondContact O-N 2.92Å; G809-Q811 VanDerWaalsContact O-N 3.11Å; Q811-F831 VanDerWaalsContact CG-O 3.29Å; Q811-F831 WeakPolarHBondContact CG-O 3.11Å; Q811-F831 PolarHBondContact NE2-O 2.9Å; Q811-N832 PolarHBondContact O-ND2 3.24Å | ||
| 812 | K | 92.9 | Very high | 86.2 | Confident | 88 Ų | 88 | 53.2 Ų | 53.2 | 38% | 0.383 | 29% | 0.286 | S | S | . | . | trans | -71.9 | 157.6 | -179.2 | -64.3 | -177.4 | -179.9 | -179.3 | 0 | 112.3 | I757 C814 | I757-K812 HydrophobicContact CG2-CB 4.46Å; I757-K812 HydrophobicContact CG2-CD 4.42Å; K812-C814 PolarHBondContact O-N 3.03Å | ||
| 813 | F | 96.3 | Very high | 86.1 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 0% | 0.004 | 29% | 0.291 | C | S | . | . | trans | -57.3 | 124.4 | 170.6 | -177.9 | -89.3 | 0 | 0 | 0 | 111.3 | W752 A756 I757 F771 V790 L804 I815 N832 | W752-F813 AromaticContact CE2-CE2 3.94Å; W752-F813 HydrophobicContact CZ2-CD2 4.2Å; W752-F813 AromaticContact CZ2-CE2 3.66Å; W752-F813 HydrophobicContact CZ2-CE2 3.66Å; W752-F813 AromaticContact CZ2-CZ 3.94Å; W752-F813 HydrophobicContact CZ2-CZ 3.94Å; W752-F813 AromaticContact NE1-CD1 3.43Å; W752-F813 AromaticContact NE1-CD2 3.42Å; W752-F813 AromaticContact NE1-CE1 3.61Å; W752-F813 AromaticContact NE1-CE2 3.58Å; W752-F813 AromaticContact NE1-CG 3.34Å; W752-F813 VanDerWaalsContact NE1-CG 3.34Å; W752-F813 AromaticContact NE1-CZ 3.69Å; A756-F813 WeakPolarHBondContact CA-O 3.31Å; A756-F813 HydrophobicContact CB-CD1 3.97Å; I757-F813 WeakPolarHBondContact CG1-O 3.38Å; I757-F813 PolarHBondContact N-O 3.24Å; F771-F813 HydrophobicContact CE1-CE1 4.36Å; F771-F813 HydrophobicContact CE1-CZ 4.48Å; F771-F813 HydrophobicContact CZ-CE1 4.25Å; F771-F813 AromaticContact CZ-CZ 3.94Å; F771-F813 HydrophobicContact CZ-CZ 3.94Å; V790-F813 HydrophobicContact CB-CD2 4.33Å; V790-F813 HydrophobicContact CB-CE2 3.7Å; V790-F813 HydrophobicContact CG1-CD2 3.75Å; V790-F813 HydrophobicContact CG1-CE2 3.41Å; V790-F813 VanDerWaalsContact CG1-CE2 3.41Å; V790-F813 HydrophobicContact CG1-CZ 4.26Å; V790-F813 HydrophobicContact CG2-CE2 3.85Å; V790-F813 HydrophobicContact CG2-CZ 4.33Å; L804-F813 HydrophobicContact CD1-CB 3.9Å; F813-I815 HydrophobicContact CD1-CG1 4.4Å; F813-I815 HydrophobicContact CE1-CD1 3.94Å; F813-I815 HydrophobicContact CE1-CG1 3.6Å; F813-I815 HydrophobicContact CZ-CG1 4.28Å; F813-N832 WeakPolarHBondContact CA-O 3.5Å | ||
| 814 | C | 96.7 | Very high | 86.2 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.007 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 135.8 | -174.2 | -176.6 | 0 | 0 | 0 | 0 | 111.9 | I757 K812 N832 R833 L834 | I757-C814 HydrophobicContact CD1-CB 3.89Å; I757-C814 HydrophobicContact CG1-CB 3.59Å; I757-C814 CarbonylContact O-C 3.55Å; I757-C814 WeakPolarHBondContact O-CA 3.42Å; K812-C814 PolarHBondContact O-N 3.03Å; C814-N832 PolarHBondContact N-O 2.71Å; C814-R833 HydrophobicContact CB-CB 4.3Å; C814-R833 HydrophobicContact CB-CG 4.22Å; C814-R833 CarbonylContact O-C 3.57Å; C814-R833 WeakPolarHBondContact O-CA 3.43Å; C814-L834 PolarHBondContact O-N 3.24Å |
| 815 | I | 98.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 123.5 | 166.7 | -50.8 | -177 | 0 | 0 | 0 | 109.1 | I757 Y758 R759 Y761 I768 F771 F813 L834 L836 | I757-I815 PolarHBondContact O-N 3.11Å; Y758-I815 WeakPolarHBondContact CA-O 3.48Å; Y758-I815 HydrophobicContact CD1-CB 4.08Å; Y758-I815 HydrophobicContact CD1-CG1 4.49Å; Y758-I815 HydrophobicContact CE1-CB 4.45Å; Y758-I815 HydrophobicContact CE1-CD1 4.09Å; Y758-I815 HydrophobicContact CE1-CG1 4.38Å; R759-I815 PolarHBondContact N-O 2.71Å; Y761-I815 HydrophobicContact CD2-CG2 4.29Å; I768-I815 HydrophobicContact CD1-CB 4.07Å; I768-I815 HydrophobicContact CD1-CD1 4.08Å; I768-I815 HydrophobicContact CD1-CG2 3.73Å; F771-I815 HydrophobicContact CD1-CD1 3.5Å; F771-I815 HydrophobicContact CD2-CD1 4.16Å; F771-I815 HydrophobicContact CE1-CD1 3.56Å; F771-I815 HydrophobicContact CE2-CD1 4.2Å; F771-I815 HydrophobicContact CG-CD1 3.82Å; F771-I815 HydrophobicContact CZ-CD1 3.91Å; F813-I815 HydrophobicContact CD1-CG1 4.4Å; F813-I815 HydrophobicContact CE1-CD1 3.94Å; F813-I815 HydrophobicContact CE1-CG1 3.6Å; F813-I815 HydrophobicContact CZ-CG1 4.28Å; I815-L834 WeakPolarHBondContact CA-O 3.43Å; I815-L834 HydrophobicContact CG1-CD2 4.5Å; I815-L836 HydrophobicContact CG2-CB 3.61Å; I815-L836 HydrophobicContact CG2-CD2 3.86Å; I815-L836 HydrophobicContact CG2-CG 4.4Å |
| 816 | E | 97.4 | Very high | 87.1 | Confident | 26 Ų | 26 | 56 Ų | 56 | 12% | 0.121 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 137.4 | -179.2 | -170.7 | 165 | 164.1 | 0 | 0 | 111.4 | R759 H760 V818 R833 L834 L836 | R759-E816 HydrophobicContact CB-CB 3.98Å; R759-E816 HydrophobicContact CB-CG 3.64Å; R759-E816 WeakPolarHBondContact CD-OE2 3.45Å; R759-E816 IonicContact NH1-OE2 2.87Å; R759-E816 PolarHBondContact NH1-OE2 3.1Å; R759-E816 WeakPolarHBondContact O-CA 3.49Å; H760-E816 IonicContact CD2-OE1 3.85Å; E816-V818 HydrophobicContact CB-CG2 4.22Å; E816-V818 HydrophobicContact CG-CG2 3.78Å; E816-V818 PolarHBondContact O-N 3.08Å; E816-R833 HydrophobicContact CB-CG 4.21Å; E816-R833 IonicContact OE1-NH1 3.7Å; E816-R833 WeakPolarHBondContact OE2-CD 3.44Å; E816-R833 IonicContact OE2-CZ 3.97Å; E816-R833 IonicContact OE2-NE 2.63Å; E816-R833 IonicContact OE2-NH1 3.52Å; E816-R833 PolarHBondContact OE2-NH1 2.88Å; E816-L834 PolarHBondContact N-O 2.99Å; E816-L836 PolarHBondContact O-N 3.06Å |
| 817 | K | 96.9 | Very high | 87.6 | Confident | 100 Ų | 100 | 57.2 Ų | 57.2 | 44% | 0.435 | 29% | 0.29 | S | S | . | . | trans | -77.2 | 106.2 | 173.8 | -177.4 | 179.4 | 167.3 | 177.3 | 0 | 109.9 | R759 H760 Y761 P838 | R759-K817 PolarHBondContact O-N 3.26Å; H760-K817 HydrophobicContact CB-CB 3.8Å; Y761-K817 HydrophobicContact CD1-CB 4.3Å; Y761-K817 HydrophobicContact CD1-CD 4.41Å; Y761-K817 HydrophobicContact CD2-CB 3.65Å; Y761-K817 HydrophobicContact CE1-CB 4.08Å; Y761-K817 HydrophobicContact CE1-CD 3.93Å; Y761-K817 HydrophobicContact CE1-CG 4.06Å; Y761-K817 VanDerWaalsContact CE2-CA 3.42Å; Y761-K817 HydrophobicContact CE2-CB 3.4Å; Y761-K817 VanDerWaalsContact CE2-CB 3.4Å; Y761-K817 HydrophobicContact CE2-CG 3.96Å; Y761-K817 HydrophobicContact CG-CB 4.08Å; K817-P838 HydrophobicContact CD-CB 4.44Å; K817-P838 HydrophobicContact CG-CB 4.46Å | ||
| 818 | V | 91.6 | Very high | 88.3 | Confident | 38 Ų | 38 | 58.3 Ų | 58.3 | 23% | 0.23 | 29% | 0.293 | C | S | . | . | trans | -136.2 | 143.2 | 179.5 | -175.5 | 0 | 0 | 0 | 0 | 110.3 | E816 D835 P837 | E816-V818 HydrophobicContact CB-CG2 4.22Å; E816-V818 HydrophobicContact CG-CG2 3.78Å; E816-V818 PolarHBondContact O-N 3.08Å; V818-D835 HydrophobicContact CB-CB 3.99Å; V818-D835 HydrophobicContact CG2-CB 4.17Å; V818-P837 VanDerWaalsContact O-CA 3.3Å; V818-P837 WeakPolarHBondContact O-CA 3.23Å | ||
| 819 | G | 90.1 | Very high | 88.9 | Confident | 34 Ų | 34 | 53.2 Ų | 53.2 | 35% | 0.351 | 27% | 0.267 | S | S | . | . | S | Bend | trans | 85.7 | -167.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 820 | K | 89.4 | Confident | 88.9 | Confident | 138 Ų | 138 | 53.3 Ų | 53.3 | 60% | 0.6 | 27% | 0.267 | S | S | * | . | trans | -110.5 | 159.7 | -176.5 | -63.5 | 179.4 | -176.5 | 175.3 | 0 | 110.9 | N822 W823 P837 | K820-N822 VanDerWaalsContact CB-OD1 3.26Å; K820-N822 WeakPolarHBondContact CB-OD1 3.26Å; K820-N822 PolarHBondContact O-N 3.3Å; K820-W823 HydrophobicContact CB-CD2 4.5Å; K820-W823 HydrophobicContact CB-CG 4.3Å; K820-W823 VanDerWaalsContact O-CB 3.29Å; K820-W823 WeakPolarHBondContact O-CB 3.45Å; K820-W823 PolarHBondContact O-N 2.94Å; K820-P837 WeakPolarHBondContact O-CB 3.42Å | ||
| 821 | E | 86.3 | Confident | 89 | Confident | 68 Ų | 68 | 51.1 Ų | 51.1 | 32% | 0.318 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -23.6 | -175.1 | -59.7 | 169.5 | -172.6 | 0 | 0 | 115.1 | Y839 K840 Q844 | E821-Y839 VanDerWaalsContact O-CD1 3.28Å; E821-Y839 WeakPolarHBondContact O-CD1 3.48Å; E821-Y839 VanDerWaalsContact O-CE1 3.22Å; E821-Y839 WeakPolarHBondContact O-CE1 3.37Å; E821-K840 VanDerWaalsContact CD-NZ 3.3Å; E821-K840 HydrophobicContact CG-CG 4.46Å; E821-K840 WeakPolarHBondContact OE1-CE 3.29Å; E821-K840 IonicContact OE1-NZ 2.93Å; E821-K840 PolarHBondContact OE1-NZ 3.21Å; E821-K840 VanDerWaalsContact OE1-NZ 3.14Å; E821-K840 WeakPolarHBondContact OE2-CD 3.32Å; E821-K840 WeakPolarHBondContact OE2-CE 3.47Å; E821-K840 IonicContact OE2-NZ 2.66Å; E821-K840 PolarHBondContact OE2-NZ 2.83Å; E821-Q844 PolarHBondContact O-NE2 3.01Å; E821-Q844 VanDerWaalsContact O-NE2 3.09Å |
| 822 | N | 88.6 | Confident | 89.1 | Confident | 110 Ų | 110 | 49 Ų | 49 | 59% | 0.588 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -17 | 178.1 | 59.4 | -30 | 0 | 0 | 0 | 113.2 | K820 K848 | K820-N822 VanDerWaalsContact CB-OD1 3.26Å; K820-N822 WeakPolarHBondContact CB-OD1 3.26Å; K820-N822 PolarHBondContact O-N 3.3Å; N822-K848 PolarHBondContact O-NZ 3.09Å |
| 823 | W | 88 | Confident | 89.1 | Confident | 100 Ų | 100 | 46.9 Ų | 46.9 | 38% | 0.379 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -70 | 150.8 | -178.4 | -67 | 9.1 | 0 | 0 | 0 | 110.8 | K820 P837 Y839 | K820-W823 HydrophobicContact CB-CD2 4.5Å; K820-W823 HydrophobicContact CB-CG 4.3Å; K820-W823 VanDerWaalsContact O-CB 3.29Å; K820-W823 WeakPolarHBondContact O-CB 3.45Å; K820-W823 PolarHBondContact O-N 2.94Å; W823-P837 HydrophobicContact CB-CG 4.15Å; W823-Y839 WeakPolarHBondContact O-CE1 3.38Å; W823-Y839 PolarHBondContact O-OH 2.8Å |
| 824 | L | 88.9 | Confident | 89.1 | Confident | 48 Ų | 48 | 46.9 Ų | 46.9 | 25% | 0.251 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -76.9 | 152.3 | 167.9 | -74 | 167.1 | 0 | 0 | 0 | 109.7 | K848 F851 F859 | L824-K848 HydrophobicContact CD2-CB 4.33Å; L824-K848 HydrophobicContact CD2-CD 3.54Å; L824-K848 HydrophobicContact CG-CD 4.42Å; L824-F851 HydrophobicContact CD1-CD1 3.9Å; L824-F851 HydrophobicContact CD1-CE1 3.84Å; L824-F851 HydrophobicContact CD2-CB 4.49Å; L824-F851 HydrophobicContact CD2-CD1 3.68Å; L824-F851 HydrophobicContact CD2-CE1 4.39Å; L824-F851 HydrophobicContact CD2-CG 4.44Å; L824-F851 HydrophobicContact CG-CD1 4.48Å; L824-F859 HydrophobicContact CD1-CD1 4.45Å; L824-F859 HydrophobicContact CD1-CE1 3.51Å; L824-F859 HydrophobicContact CD1-CZ 3.91Å |
| 825 | P | 92.2 | Very high | 89 | Confident | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.032 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -67 | 147.5 | 170.8 | 30.4 | -30.6 | 0 | 0 | 0 | 109.2 | L834 D835 L836 Y839 L849 A852 | P825-L834 HydrophobicContact CB-CD1 4.14Å; P825-D835 VanDerWaalsContact CA-O 3.28Å; P825-D835 WeakPolarHBondContact CA-O 3.21Å; P825-L836 HydrophobicContact CB-CD1 4.44Å; P825-Y839 VanDerWaalsContact CD-OH 3.26Å; P825-Y839 WeakPolarHBondContact CD-OH 3.15Å; P825-L849 HydrophobicContact CB-CD2 4.1Å; P825-L849 HydrophobicContact CG-CD2 3.77Å; P825-L849 HydrophobicContact CG-CG 4.27Å; P825-A852 HydrophobicContact CG-CB 3.52Å |
| 826 | R | 87.8 | Confident | 89 | Confident | 108 Ų | 108 | 47.1 Ų | 47.1 | 41% | 0.408 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 159.1 | -179.5 | -62.4 | -176.7 | -60.4 | -178.6 | 7.3 | 109.8 | D835 | R826-D835 HydrophobicContact CB-CB 4.2Å; R826-D835 PolarHBondContact N-O 3.31Å; R826-D835 VanDerWaalsContact N-O 3.11Å; R826-D835 IonicContact NH2-OD2 3.87Å; R826-D835 PolarHBondContact O-N 3.25Å |
| 827 | S | 85.2 | Confident | 89 | Confident | 25 Ų | 25 | 46 Ų | 46 | 18% | 0.175 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 152.1 | 176.7 | 56 | 0 | 0 | 0 | 0 | 111.7 | F789 R833 | F789-S827 WeakPolarHBondContact O-CB 3.42Å; F789-S827 PolarHBondContact O-OG 3.16Å; S827-R833 CarbonylContact C-O 3.54Å; S827-R833 VanDerWaalsContact CA-O 3.27Å; S827-R833 WeakPolarHBondContact CA-O 3.27Å |
| 828 | H | 81.4 | Confident | 88.9 | Confident | 42 Ų | 42 | 42.5 Ų | 42.5 | 19% | 0.194 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 98.8 | 167.2 | -61.1 | -82.9 | 0 | 0 | 0 | 107.8 | E637 C830 F831 N832 R833 D835 | E637-H828 IonicContact OE1-CG 3.45Å; E637-H828 IonicContact OE1-ND1 3.74Å; E637-H828 PolarHBondContact OE1-ND1 3.38Å; H828-C830 VanDerWaalsContact C-N 3.29Å; H828-C830 PolarHBondContact O-N 2.87Å; H828-F831 HydrophobicContact CB-CD2 3.88Å; H828-F831 PolarHBondContact O-N 3.39Å; H828-F831 VanDerWaalsContact O-N 3.11Å; H828-N832 PolarHBondContact O-N 2.79Å; H828-R833 HydrophobicContact CB-CB 4.4Å; H828-R833 PolarHBondContact CD2-NH2 3.04Å; H828-R833 PolarHBondContact N-O 2.65Å; H828-R833 PolarHBondContact NE2-NH2 2.8Å; H828-R833 VanDerWaalsContact NE2-NH2 3.17Å; H828-R833 PolarHBondContact O-N 2.87Å; H828-R833 VanDerWaalsContact O-N 3.13Å; H828-D835 IonicContact CD2-OD1 3.7Å; H828-D835 IonicContact NE2-OD1 3.81Å; H828-D835 IonicContact NE2-OD2 3.83Å |
| 829 | T | 79.9 | Confident | 89.2 | Confident | 23 Ų | 23 | 40.7 Ų | 40.7 | 14% | 0.141 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -64.5 | -34.9 | -170.6 | 53 | 0 | 0 | 0 | 0 | 112.3 | V790 F831 N832 | V790-T829 WeakPolarHBondContact O-CA 3.43Å; T829-F831 PolarHBondContact O-N 2.68Å; T829-F831 VanDerWaalsContact O-N 3.17Å; T829-N832 PolarHBondContact O-N 3.24Å; T829-N832 PolarHBondContact O-OD1 2.75Å |
| 830 | C | 73.7 | Confident | 89.5 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.02 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -60.9 | -25.9 | 176.3 | -61.7 | 0 | 0 | 0 | 0 | 113.7 | E637 G806 S807 H828 | E637-C830 PolarHBondContact O-SG 3.41Å; G806-C830 CarbonylContact C-O 3.52Å; G806-C830 VanDerWaalsContact CA-O 3.27Å; G806-C830 WeakPolarHBondContact CA-O 3.48Å; S807-C830 PolarHBondContact N-O 3.28Å; H828-C830 VanDerWaalsContact C-N 3.29Å; H828-C830 PolarHBondContact O-N 2.87Å |
| 831 | F | 82.4 | Confident | 89.9 | Confident | 72 Ų | 72 | 41.9 Ų | 41.9 | 32% | 0.316 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -110.3 | 4.3 | -178.4 | -55.2 | -64.2 | 0 | 0 | 0 | 113.4 | Q811 H828 T829 R833 | Q811-F831 VanDerWaalsContact CG-O 3.29Å; Q811-F831 WeakPolarHBondContact CG-O 3.11Å; Q811-F831 PolarHBondContact NE2-O 2.9Å; H828-F831 HydrophobicContact CB-CD2 3.88Å; H828-F831 PolarHBondContact O-N 3.39Å; H828-F831 VanDerWaalsContact O-N 3.11Å; T829-F831 PolarHBondContact O-N 2.68Å; T829-F831 VanDerWaalsContact O-N 3.17Å; F831-R833 HydrophobicContact CB-CB 4.1Å; F831-R833 PolarHBondContact O-N 2.78Å; F831-R833 VanDerWaalsContact O-N 3.16Å |
| 832 | N | 88.2 | Confident | 90.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 39.1 | -170.6 | -61.8 | -39 | 0 | 0 | 0 | 112.2 | Y579 V790 T791 M805 Q811 F813 C814 H828 T829 | Y579-N832 PolarHBondContact OH-OD1 2.64Å; V790-N832 VanDerWaalsContact CG1-C 3.45Å; V790-N832 WeakPolarHBondContact CG1-O 3.47Å; T791-N832 WeakPolarHBondContact CA-OD1 3.42Å; T791-N832 VanDerWaalsContact CB-OD1 3.31Å; T791-N832 WeakPolarHBondContact CB-OD1 3.26Å; T791-N832 HydrophobicContact CG2-CB 4.29Å; T791-N832 WeakPolarHBondContact CG2-OD1 3.49Å; M805-N832 PolarHBondContact O-ND2 2.66Å; Q811-N832 PolarHBondContact O-ND2 3.24Å; F813-N832 WeakPolarHBondContact CA-O 3.5Å; C814-N832 PolarHBondContact N-O 2.71Å; H828-N832 PolarHBondContact O-N 2.79Å; T829-N832 PolarHBondContact O-N 3.24Å; T829-N832 PolarHBondContact O-OD1 2.75Å |
| 833 | R | 92.8 | Very high | 90.8 | Very high | 43 Ų | 43 | 40.6 Ų | 40.6 | 16% | 0.162 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 130.1 | -171.3 | -173.9 | 176.4 | 75.3 | -167.3 | -12.2 | 112 | C814 E816 S827 H828 F831 D835 | C814-R833 HydrophobicContact CB-CB 4.3Å; C814-R833 HydrophobicContact CB-CG 4.22Å; C814-R833 CarbonylContact O-C 3.57Å; C814-R833 WeakPolarHBondContact O-CA 3.43Å; E816-R833 HydrophobicContact CB-CG 4.21Å; E816-R833 IonicContact OE1-NH1 3.7Å; E816-R833 WeakPolarHBondContact OE2-CD 3.44Å; E816-R833 IonicContact OE2-CZ 3.97Å; E816-R833 IonicContact OE2-NE 2.63Å; E816-R833 IonicContact OE2-NH1 3.52Å; E816-R833 PolarHBondContact OE2-NH1 2.88Å; S827-R833 CarbonylContact C-O 3.54Å; S827-R833 VanDerWaalsContact CA-O 3.27Å; S827-R833 WeakPolarHBondContact CA-O 3.27Å; H828-R833 HydrophobicContact CB-CB 4.4Å; H828-R833 PolarHBondContact CD2-NH2 3.04Å; H828-R833 PolarHBondContact N-O 2.65Å; H828-R833 PolarHBondContact NE2-NH2 2.8Å; H828-R833 VanDerWaalsContact NE2-NH2 3.17Å; H828-R833 PolarHBondContact O-N 2.87Å; H828-R833 VanDerWaalsContact O-N 3.13Å; F831-R833 HydrophobicContact CB-CB 4.1Å; F831-R833 PolarHBondContact O-N 2.78Å; F831-R833 VanDerWaalsContact O-N 3.16Å; R833-D835 IonicContact CZ-OD1 3.42Å; R833-D835 IonicContact NE-OD1 3.52Å; R833-D835 PolarHBondContact NE-OD1 2.59Å; R833-D835 IonicContact NH2-OD1 2.98Å |
| 834 | L | 95.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 114.3 | 168.3 | 179 | 65.4 | 0 | 0 | 0 | 109.7 | F771 F789 V790 C814 I815 E816 P825 L836 L849 | F771-L834 HydrophobicContact CD2-CD2 4.08Å; F771-L834 HydrophobicContact CE2-CD2 3.49Å; F771-L834 VanDerWaalsContact CE2-CD2 3.49Å; F771-L834 HydrophobicContact CZ-CD2 4.2Å; F789-L834 HydrophobicContact CD1-CD1 4.14Å; F789-L834 HydrophobicContact CE1-CD1 3.69Å; V790-L834 HydrophobicContact CG1-CB 4.26Å; V790-L834 HydrophobicContact CG2-CB 3.9Å; V790-L834 HydrophobicContact CG2-CD1 4.08Å; V790-L834 HydrophobicContact CG2-CG 4.39Å; C814-L834 PolarHBondContact O-N 3.24Å; I815-L834 WeakPolarHBondContact CA-O 3.43Å; I815-L834 HydrophobicContact CG1-CD2 4.5Å; E816-L834 PolarHBondContact N-O 2.99Å; P825-L834 HydrophobicContact CB-CD1 4.14Å; L834-L836 HydrophobicContact CG-CB 4.47Å; L834-L836 PolarHBondContact O-N 3.26Å; L834-L849 HydrophobicContact CD2-CD2 4.36Å |
| 835 | D | 95 | Very high | 91.6 | Very high | 7 Ų | 7 | 35.7 Ų | 35.7 | 4% | 0.037 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 106.1 | 168.1 | -77.2 | 15.9 | 0 | 0 | 0 | 108.1 | V818 P825 R826 H828 R833 P837 | V818-D835 HydrophobicContact CB-CB 3.99Å; V818-D835 HydrophobicContact CG2-CB 4.17Å; P825-D835 VanDerWaalsContact CA-O 3.28Å; P825-D835 WeakPolarHBondContact CA-O 3.21Å; R826-D835 HydrophobicContact CB-CB 4.2Å; R826-D835 PolarHBondContact N-O 3.31Å; R826-D835 VanDerWaalsContact N-O 3.11Å; R826-D835 IonicContact NH2-OD2 3.87Å; R826-D835 PolarHBondContact O-N 3.25Å; H828-D835 IonicContact CD2-OD1 3.7Å; H828-D835 IonicContact NE2-OD1 3.81Å; H828-D835 IonicContact NE2-OD2 3.83Å; R833-D835 IonicContact CZ-OD1 3.42Å; R833-D835 IonicContact NE-OD1 3.52Å; R833-D835 PolarHBondContact NE-OD1 2.59Å; R833-D835 IonicContact NH2-OD1 2.98Å; D835-P837 WeakPolarHBondContact O-CD 3.42Å |
| 836 | L | 97.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -109.9 | 108.5 | -175.7 | -174.7 | 67.7 | 0 | 0 | 0 | 110.8 | Y761 Q767 I768 F771 I815 E816 P825 L834 Y839 L845 L849 | Y761-L836 HydrophobicContact CE2-CB 4.21Å; Y761-L836 HydrophobicContact CE2-CD2 4.47Å; Y761-L836 VanDerWaalsContact CE2-O 3.31Å; Y761-L836 WeakPolarHBondContact CE2-O 3.47Å; Y761-L836 PolarHBondContact OH-O 3.49Å; Q767-L836 HydrophobicContact CB-CD2 4.23Å; I768-L836 HydrophobicContact CD1-CD2 4.47Å; F771-L836 HydrophobicContact CB-CD2 4.35Å; I815-L836 HydrophobicContact CG2-CB 3.61Å; I815-L836 HydrophobicContact CG2-CD2 3.86Å; I815-L836 HydrophobicContact CG2-CG 4.4Å; E816-L836 PolarHBondContact O-N 3.06Å; P825-L836 HydrophobicContact CB-CD1 4.44Å; L834-L836 HydrophobicContact CG-CB 4.47Å; L834-L836 PolarHBondContact O-N 3.26Å; L836-Y839 HydrophobicContact CD1-CD2 4.38Å; L836-Y839 HydrophobicContact CD1-CE2 4Å; L836-L845 HydrophobicContact CD1-CD1 4.3Å; L836-L845 HydrophobicContact CD2-CD1 4.23Å; L836-L849 HydrophobicContact CD1-CD1 4.4Å; L836-L849 HydrophobicContact CD1-CD2 4.39Å; L836-L849 HydrophobicContact CD1-CG 4.47Å | ||
| 837 | P | 97.1 | Very high | 92 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.013 | 19% | 0.19 | C | C | . | . | trans | -59.5 | 152.6 | 177 | -26.3 | 35.6 | 0 | 0 | 0 | 113.3 | Y761 V818 K820 W823 D835 Y839 | Y761-P837 PolarHBondContact OH-O 2.85Å; V818-P837 VanDerWaalsContact O-CA 3.3Å; V818-P837 WeakPolarHBondContact O-CA 3.23Å; K820-P837 WeakPolarHBondContact O-CB 3.42Å; W823-P837 HydrophobicContact CB-CG 4.15Å; D835-P837 WeakPolarHBondContact O-CD 3.42Å; P837-Y839 HydrophobicContact CB-CD1 4.36Å; P837-Y839 HydrophobicContact CB-CE1 3.86Å; P837-Y839 HydrophobicContact CB-CE2 4.24Å; P837-Y839 HydrophobicContact CG-CE1 4.27Å; P837-Y839 HydrophobicContact CG-CE2 4.38Å; P837-Y839 WeakPolarHBondContact CG-OH 3.27Å; P837-Y839 WeakPolarHBondContact O-CD2 3.43Å; P837-Y839 PolarHBondContact O-N 3.05Å | ||
| 838 | P | 96.4 | Very high | 92.4 | Very high | 27 Ų | 27 | 40.6 Ų | 40.6 | 18% | 0.175 | 19% | 0.192 | C | C | . | . | trans | -78 | 63.4 | -179 | 33.3 | -36.1 | 0 | 0 | 0 | 112.2 | Y761 K817 | Y761-P838 VanDerWaalsContact OH-CA 3.24Å; Y761-P838 WeakPolarHBondContact OH-CA 3.37Å; K817-P838 HydrophobicContact CD-CB 4.44Å; K817-P838 HydrophobicContact CG-CB 4.46Å | ||
| 839 | Y | 97.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -52.2 | 153.4 | 179.7 | -62.4 | -55.4 | 0 | 0 | 0 | 112.8 | Q767 W770 E821 W823 P825 L836 P837 Q844 L845 K848 | Q767-Y839 PolarHBondContact NE2-O 3.31Å; W770-Y839 WeakPolarHBondContact CZ3-O 3.28Å; E821-Y839 VanDerWaalsContact O-CD1 3.28Å; E821-Y839 WeakPolarHBondContact O-CD1 3.48Å; E821-Y839 VanDerWaalsContact O-CE1 3.22Å; E821-Y839 WeakPolarHBondContact O-CE1 3.37Å; W823-Y839 WeakPolarHBondContact O-CE1 3.38Å; W823-Y839 PolarHBondContact O-OH 2.8Å; P825-Y839 VanDerWaalsContact CD-OH 3.26Å; P825-Y839 WeakPolarHBondContact CD-OH 3.15Å; L836-Y839 HydrophobicContact CD1-CD2 4.38Å; L836-Y839 HydrophobicContact CD1-CE2 4Å; P837-Y839 HydrophobicContact CB-CD1 4.36Å; P837-Y839 HydrophobicContact CB-CE1 3.86Å; P837-Y839 HydrophobicContact CB-CE2 4.24Å; P837-Y839 HydrophobicContact CG-CE1 4.27Å; P837-Y839 HydrophobicContact CG-CE2 4.38Å; P837-Y839 WeakPolarHBondContact CG-OH 3.27Å; P837-Y839 WeakPolarHBondContact O-CD2 3.43Å; P837-Y839 PolarHBondContact O-N 3.05Å; Y839-Q844 HydrophobicContact CD1-CG 3.78Å; Y839-Q844 HydrophobicContact CE1-CG 4.46Å; Y839-Q844 HydrophobicContact CG-CG 4.23Å; Y839-L845 HydrophobicContact CD2-CB 3.71Å; Y839-L845 HydrophobicContact CD2-CD1 4.17Å; Y839-L845 HydrophobicContact CD2-CG 3.99Å; Y839-L845 HydrophobicContact CG-CB 4.27Å; Y839-K848 HydrophobicContact CE1-CB 4.21Å; Y839-K848 HydrophobicContact CE1-CG 3.89Å; Y839-K848 HydrophobicContact CE2-CB 4.16Å; Y839-K848 WeakPolarHBondContact OH-CB 3.45Å | ||
| 840 | K | 96 | Very high | 93.5 | Very high | 148 Ų | 148 | 39.4 Ų | 39.4 | 64% | 0.643 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -88.9 | -21 | -175.8 | -79.2 | 179.8 | 165.1 | 137.9 | 0 | 114 | W770 E821 | W770-K840 WeakPolarHBondContact CH2-O 3.46Å; E821-K840 VanDerWaalsContact CD-NZ 3.3Å; E821-K840 HydrophobicContact CG-CG 4.46Å; E821-K840 WeakPolarHBondContact OE1-CE 3.29Å; E821-K840 IonicContact OE1-NZ 2.93Å; E821-K840 PolarHBondContact OE1-NZ 3.21Å; E821-K840 VanDerWaalsContact OE1-NZ 3.14Å; E821-K840 WeakPolarHBondContact OE2-CD 3.32Å; E821-K840 WeakPolarHBondContact OE2-CE 3.47Å; E821-K840 IonicContact OE2-NZ 2.66Å; E821-K840 PolarHBondContact OE2-NZ 2.83Å |
| 841 | S | 97.3 | Very high | 94.1 | Very high | 49 Ų | 49 | 43.6 Ų | 43.6 | 34% | 0.343 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -143.6 | 160.6 | -178.3 | 68.7 | 0 | 0 | 0 | 0 | 112.5 | Q844 L845 | S841-Q844 PolarHBondContact O-N 2.85Å; S841-Q844 WeakPolarHBondContact OG-CB 3.4Å; S841-Q844 PolarHBondContact OG-N 2.97Å; S841-L845 PolarHBondContact O-N 2.87Å |
| 842 | Y | 97.5 | Very high | 94.3 | Very high | 27 Ų | 27 | 40.2 Ų | 40.2 | 11% | 0.106 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.4 | -46.1 | 173.4 | 177.2 | -112.6 | 0 | 0 | 0 | 111.9 | W770 Q773 F774 E777 Q844 L845 K846 | W770-Y842 HydrophobicContact CB-CD2 3.79Å; W770-Y842 HydrophobicContact CB-CE2 4.48Å; W770-Y842 AromaticContact CD1-CD2 3.99Å; W770-Y842 AromaticContact CG-CD2 3.94Å; W770-Y842 HydrophobicContact CG-CD2 3.94Å; W770-Y842 WeakPolarHBondContact O-CE2 3.22Å; Q773-Y842 HydrophobicContact CB-CE2 4.06Å; Q773-Y842 HydrophobicContact CG-CE2 3.92Å; F774-Y842 WeakPolarHBondContact CA-OH 3.43Å; F774-Y842 HydrophobicContact CB-CE2 4.08Å; E777-Y842 PolarHBondContact OE1-OH 3.31Å; E777-Y842 VanDerWaalsContact OE1-OH 3.06Å; E777-Y842 PolarHBondContact OE2-OH 2.84Å; Y842-Q844 VanDerWaalsContact C-N 3.34Å; Y842-Q844 PolarHBondContact O-N 3.21Å; Y842-L845 PolarHBondContact O-N 2.86Å; Y842-L845 VanDerWaalsContact O-N 3.17Å; Y842-K846 HydrophobicContact CE1-CD 3.99Å; Y842-K846 WeakPolarHBondContact O-CB 3.39Å; Y842-K846 PolarHBondContact O-N 2.86Å |
| 843 | E | 96.9 | Very high | 94.2 | Very high | 123 Ų | 123 | 40.3 Ų | 40.3 | 58% | 0.575 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -61.5 | -41.5 | -179.2 | -60.7 | -53 | 145.7 | 0 | 0 | 112.3 | L845 K846 E847 | E843-L845 PolarHBondContact O-N 2.78Å; E843-K846 PolarHBondContact O-N 2.8Å; E843-E847 WeakPolarHBondContact O-CB 3.47Å; E843-E847 PolarHBondContact O-N 3.08Å |
| 844 | Q | 95.8 | Very high | 93.5 | Very high | 46 Ų | 46 | 41.4 Ų | 41.4 | 22% | 0.215 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.3 | -43.9 | 176 | -175.1 | -176.6 | 34.7 | 0 | 0 | 111.4 | E821 Y839 S841 Y842 K848 | E821-Q844 PolarHBondContact O-NE2 3.01Å; E821-Q844 VanDerWaalsContact O-NE2 3.09Å; Y839-Q844 HydrophobicContact CD1-CG 3.78Å; Y839-Q844 HydrophobicContact CE1-CG 4.46Å; Y839-Q844 HydrophobicContact CG-CG 4.23Å; S841-Q844 PolarHBondContact O-N 2.85Å; S841-Q844 WeakPolarHBondContact OG-CB 3.4Å; S841-Q844 PolarHBondContact OG-N 2.97Å; Y842-Q844 VanDerWaalsContact C-N 3.34Å; Y842-Q844 PolarHBondContact O-N 3.21Å; Q844-K848 HydrophobicContact CG-CG 4.43Å; Q844-K848 VanDerWaalsContact O-CB 3.3Å; Q844-K848 WeakPolarHBondContact O-CB 3.34Å; Q844-K848 WeakPolarHBondContact O-CG 3.49Å; Q844-K848 PolarHBondContact O-N 2.78Å |
| 845 | L | 97.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.1 | -44.2 | 177.1 | 176.9 | 149.6 | 0 | 0 | 0 | 111.3 | Q767 W770 F774 L836 Y839 S841 Y842 E843 L849 | Q767-L845 HydrophobicContact CB-CD1 4.34Å; W770-L845 HydrophobicContact CB-CD1 3.9Å; W770-L845 HydrophobicContact CB-CD2 4.29Å; W770-L845 HydrophobicContact CE3-CD1 4.41Å; F774-L845 HydrophobicContact CB-CD2 4.21Å; L836-L845 HydrophobicContact CD1-CD1 4.3Å; L836-L845 HydrophobicContact CD2-CD1 4.23Å; Y839-L845 HydrophobicContact CD2-CB 3.71Å; Y839-L845 HydrophobicContact CD2-CD1 4.17Å; Y839-L845 HydrophobicContact CD2-CG 3.99Å; Y839-L845 HydrophobicContact CG-CB 4.27Å; S841-L845 PolarHBondContact O-N 2.87Å; Y842-L845 PolarHBondContact O-N 2.86Å; Y842-L845 VanDerWaalsContact O-N 3.17Å; E843-L845 PolarHBondContact O-N 2.78Å; L845-L849 HydrophobicContact CD2-CD1 3.47Å; L845-L849 VanDerWaalsContact CD2-CD1 3.47Å; L845-L849 HydrophobicContact CG-CD1 3.88Å; L845-L849 VanDerWaalsContact O-CB 3.3Å; L845-L849 WeakPolarHBondContact O-CB 3.33Å; L845-L849 WeakPolarHBondContact O-CG 3.29Å; L845-L849 PolarHBondContact O-N 2.81Å |
| 846 | K | 96 | Very high | 90.5 | Very high | 59 Ų | 59 | 44.1 Ų | 44.1 | 26% | 0.257 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.3 | -49.6 | 179.7 | 178 | 170.4 | -176.5 | 168.7 | 0 | 111.6 | F774 E777 Y842 E843 L850 | F774-K846 HydrophobicContact CD2-CB 4.29Å; F774-K846 HydrophobicContact CD2-CG 3.93Å; F774-K846 HydrophobicContact CE2-CG 4.16Å; E777-K846 IonicContact OE2-NZ 3.73Å; E777-K846 PolarHBondContact OE2-NZ 3.06Å; Y842-K846 HydrophobicContact CE1-CD 3.99Å; Y842-K846 WeakPolarHBondContact O-CB 3.39Å; Y842-K846 PolarHBondContact O-N 2.86Å; E843-K846 PolarHBondContact O-N 2.8Å; K846-L850 HydrophobicContact CG-CD1 3.92Å; K846-L850 WeakPolarHBondContact O-CB 3.38Å; K846-L850 VanDerWaalsContact O-CG 3.31Å; K846-L850 WeakPolarHBondContact O-CG 3.28Å; K846-L850 PolarHBondContact O-N 3.37Å |
| 847 | E | 93.1 | Very high | 88.2 | Confident | 131 Ų | 131 | 47.5 Ų | 47.5 | 61% | 0.612 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -59.1 | -49.9 | 177.4 | -173.8 | -167.1 | 157.6 | 0 | 0 | 111.2 | E843 L850 F851 | E843-E847 WeakPolarHBondContact O-CB 3.47Å; E843-E847 PolarHBondContact O-N 3.08Å; E847-L850 PolarHBondContact O-N 2.8Å; E847-F851 WeakPolarHBondContact O-CB 3.3Å; E847-F851 PolarHBondContact O-N 2.82Å |
| 848 | K | 93.4 | Very high | 85.4 | Confident | 51 Ų | 51 | 50.2 Ų | 50.2 | 22% | 0.222 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.6 | -38.3 | -177.2 | -67.3 | -77.7 | 176.9 | 177 | 0 | 112.6 | N822 L824 Y839 Q844 A852 | N822-K848 PolarHBondContact O-NZ 3.09Å; L824-K848 HydrophobicContact CD2-CB 4.33Å; L824-K848 HydrophobicContact CD2-CD 3.54Å; L824-K848 HydrophobicContact CG-CD 4.42Å; Y839-K848 HydrophobicContact CE1-CB 4.21Å; Y839-K848 HydrophobicContact CE1-CG 3.89Å; Y839-K848 HydrophobicContact CE2-CB 4.16Å; Y839-K848 WeakPolarHBondContact OH-CB 3.45Å; Q844-K848 HydrophobicContact CG-CG 4.43Å; Q844-K848 VanDerWaalsContact O-CB 3.3Å; Q844-K848 WeakPolarHBondContact O-CB 3.34Å; Q844-K848 WeakPolarHBondContact O-CG 3.49Å; Q844-K848 PolarHBondContact O-N 2.78Å; K848-A852 VanDerWaalsContact O-CB 3.3Å; K848-A852 WeakPolarHBondContact O-CB 3.36Å; K848-A852 PolarHBondContact O-N 2.81Å |
| 849 | L | 93.1 | Very high | 82.6 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.2 | -44.7 | 175 | -82.9 | 169.9 | 0 | 0 | 0 | 112.1 | F771 F774 P825 L834 L836 L845 F851 A852 I853 | F771-L849 HydrophobicContact CD2-CD1 3.9Å; F771-L849 HydrophobicContact CE2-CD1 4.4Å; F774-L849 HydrophobicContact CD1-CD1 3.8Å; F774-L849 HydrophobicContact CE1-CB 3.95Å; F774-L849 HydrophobicContact CE1-CD1 3.98Å; F774-L849 HydrophobicContact CG-CD1 4.41Å; F774-L849 HydrophobicContact CZ-CB 4.01Å; P825-L849 HydrophobicContact CB-CD2 4.1Å; P825-L849 HydrophobicContact CG-CD2 3.77Å; P825-L849 HydrophobicContact CG-CG 4.27Å; L834-L849 HydrophobicContact CD2-CD2 4.36Å; L836-L849 HydrophobicContact CD1-CD1 4.4Å; L836-L849 HydrophobicContact CD1-CD2 4.39Å; L836-L849 HydrophobicContact CD1-CG 4.47Å; L845-L849 HydrophobicContact CD2-CD1 3.47Å; L845-L849 VanDerWaalsContact CD2-CD1 3.47Å; L845-L849 HydrophobicContact CG-CD1 3.88Å; L845-L849 VanDerWaalsContact O-CB 3.3Å; L845-L849 WeakPolarHBondContact O-CB 3.33Å; L845-L849 WeakPolarHBondContact O-CG 3.29Å; L845-L849 PolarHBondContact O-N 2.81Å; L849-F851 VanDerWaalsContact C-N 3.33Å; L849-F851 PolarHBondContact O-N 2.82Å; L849-A852 PolarHBondContact O-N 3.29Å; L849-I853 WeakPolarHBondContact O-CG1 3.36Å; L849-I853 WeakPolarHBondContact O-CG2 3.07Å; L849-I853 PolarHBondContact O-N 3.07Å |
| 850 | L | 90.9 | Very high | 79.5 | Confident | 39 Ų | 39 | 55.6 Ų | 55.6 | 20% | 0.204 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.7 | -47.9 | 176 | -78.4 | 168.4 | 0 | 0 | 0 | 110.9 | F774 K782 K846 E847 A852 I853 E854 | F774-L850 HydrophobicContact CE2-CD1 4.35Å; F774-L850 HydrophobicContact CE2-CD2 3.99Å; F774-L850 HydrophobicContact CE2-CG 3.77Å; F774-L850 HydrophobicContact CZ-CD2 4.09Å; F774-L850 HydrophobicContact CZ-CG 4.1Å; K782-L850 HydrophobicContact CD-CD2 4Å; K846-L850 HydrophobicContact CG-CD1 3.92Å; K846-L850 WeakPolarHBondContact O-CB 3.38Å; K846-L850 VanDerWaalsContact O-CG 3.31Å; K846-L850 WeakPolarHBondContact O-CG 3.28Å; K846-L850 PolarHBondContact O-N 3.37Å; E847-L850 PolarHBondContact O-N 2.8Å; L850-A852 VanDerWaalsContact C-N 3.34Å; L850-A852 PolarHBondContact O-N 2.69Å; L850-I853 HydrophobicContact CD2-CD1 4.43Å; L850-I853 WeakPolarHBondContact O-CG1 3.48Å; L850-I853 PolarHBondContact O-N 3.11Å; L850-E854 VanDerWaalsContact O-CB 3.32Å; L850-E854 WeakPolarHBondContact O-CB 3.29Å; L850-E854 WeakPolarHBondContact O-CG 3.45Å; L850-E854 PolarHBondContact O-N 2.72Å |
| 851 | F | 87.8 | Confident | 76.1 | Confident | 91 Ų | 91 | 57.4 Ų | 57.4 | 40% | 0.399 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.5 | -48.7 | 175.6 | -170.9 | -91.9 | 0 | 0 | 0 | 111.2 | L824 E847 L849 I853 E854 E855 F859 | L824-F851 HydrophobicContact CD1-CD1 3.9Å; L824-F851 HydrophobicContact CD1-CE1 3.84Å; L824-F851 HydrophobicContact CD2-CB 4.49Å; L824-F851 HydrophobicContact CD2-CD1 3.68Å; L824-F851 HydrophobicContact CD2-CE1 4.39Å; L824-F851 HydrophobicContact CD2-CG 4.44Å; L824-F851 HydrophobicContact CG-CD1 4.48Å; E847-F851 WeakPolarHBondContact O-CB 3.3Å; E847-F851 PolarHBondContact O-N 2.82Å; L849-F851 VanDerWaalsContact C-N 3.33Å; L849-F851 PolarHBondContact O-N 2.82Å; F851-I853 PolarHBondContact O-N 3.36Å; F851-E854 PolarHBondContact O-N 2.9Å; F851-E855 HydrophobicContact CD1-CB 4.38Å; F851-E855 HydrophobicContact CD1-CG 4.15Å; F851-E855 HydrophobicContact CD2-CG 3.93Å; F851-E855 HydrophobicContact CE1-CB 4.22Å; F851-E855 HydrophobicContact CE1-CG 4.03Å; F851-E855 HydrophobicContact CE2-CG 3.79Å; F851-E855 HydrophobicContact CG-CG 4.12Å; F851-E855 HydrophobicContact CZ-CB 4.43Å; F851-E855 HydrophobicContact CZ-CG 3.84Å; F851-E855 WeakPolarHBondContact O-CB 3.39Å; F851-E855 VanDerWaalsContact O-CG 3.25Å; F851-E855 WeakPolarHBondContact O-CG 3.39Å; F851-E855 PolarHBondContact O-N 3.35Å; F851-F859 HydrophobicContact CD1-CZ 4.06Å; F851-F859 HydrophobicContact CE1-CE1 4.01Å; F851-F859 AromaticContact CE1-CZ 3.68Å; F851-F859 HydrophobicContact CE1-CZ 3.68Å |
| 852 | A | 86.2 | Confident | 72.8 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.008 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.8 | -40.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | F789 P825 K848 L849 L850 T856 | F789-A852 HydrophobicContact CE1-CB 4.49Å; F789-A852 HydrophobicContact CZ-CB 4.09Å; P825-A852 HydrophobicContact CG-CB 3.52Å; K848-A852 VanDerWaalsContact O-CB 3.3Å; K848-A852 WeakPolarHBondContact O-CB 3.36Å; K848-A852 PolarHBondContact O-N 2.81Å; L849-A852 PolarHBondContact O-N 3.29Å; L850-A852 VanDerWaalsContact C-N 3.34Å; L850-A852 PolarHBondContact O-N 2.69Å; A852-T856 WeakPolarHBondContact O-CG2 3.45Å |
| 853 | I | 85.8 | Confident | 71.6 | Confident | 3 Ų | 3 | 69 Ų | 69 | 2% | 0.015 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -79 | -26 | -179.9 | 68.9 | -179.3 | 0 | 0 | 0 | 112.9 | F774 K782 R785 L786 F789 L849 L850 F851 | F774-I853 HydrophobicContact CZ-CD1 4.43Å; K782-I853 HydrophobicContact CB-CD1 4.4Å; R785-I853 HydrophobicContact CB-CB 4.47Å; L786-I853 HydrophobicContact CB-CG2 4.22Å; L786-I853 HydrophobicContact CD1-CG2 3.82Å; F789-I853 HydrophobicContact CB-CG2 4.03Å; F789-I853 HydrophobicContact CD1-CG2 4.17Å; F789-I853 HydrophobicContact CG-CG2 4.11Å; L849-I853 WeakPolarHBondContact O-CG1 3.36Å; L849-I853 WeakPolarHBondContact O-CG2 3.07Å; L849-I853 PolarHBondContact O-N 3.07Å; L850-I853 HydrophobicContact CD2-CD1 4.43Å; L850-I853 WeakPolarHBondContact O-CG1 3.48Å; L850-I853 PolarHBondContact O-N 3.11Å; F851-I853 PolarHBondContact O-N 3.36Å |
| 854 | E | 78.1 | Confident | 70.3 | Confident | 66 Ų | 66 | 66.2 Ų | 66.2 | 31% | 0.308 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -85.5 | -28.3 | 178 | -69.7 | -176.5 | 177 | 0 | 0 | 112.6 | R485 L850 F851 | R485-E854 PolarHBondContact NH1-O 2.87Å; L850-E854 VanDerWaalsContact O-CB 3.32Å; L850-E854 WeakPolarHBondContact O-CB 3.29Å; L850-E854 WeakPolarHBondContact O-CG 3.45Å; L850-E854 PolarHBondContact O-N 2.72Å; F851-E854 PolarHBondContact O-N 2.9Å |
| 855 | E | 68.9 | Low | 68.9 | Low | 26 Ų | 26 | 67.3 Ų | 67.3 | 12% | 0.121 | 35% | 0.353 | C | S | . | . | trans | -99 | 19.6 | -171.5 | -65.1 | -66 | 168.5 | 0 | 0 | 114.8 | R461 R485 F851 E857 F859 | R461-E855 IonicContact CZ-OE1 3.33Å; R461-E855 IonicContact CZ-OE2 3.79Å; R461-E855 IonicContact NH1-OE1 3.12Å; R461-E855 PolarHBondContact NH1-OE1 3.45Å; R461-E855 IonicContact NH1-OE2 3.85Å; R461-E855 PolarHBondContact NH1-OE2 3.17Å; R461-E855 IonicContact NH2-OE1 3.1Å; R461-E855 IonicContact NH2-OE2 2.73Å; R461-E855 PolarHBondContact NH2-OE2 3.16Å; R485-E855 IonicContact NH1-OE2 2.96Å; F851-E855 HydrophobicContact CD1-CB 4.38Å; F851-E855 HydrophobicContact CD1-CG 4.15Å; F851-E855 HydrophobicContact CD2-CG 3.93Å; F851-E855 HydrophobicContact CE1-CB 4.22Å; F851-E855 HydrophobicContact CE1-CG 4.03Å; F851-E855 HydrophobicContact CE2-CG 3.79Å; F851-E855 HydrophobicContact CG-CG 4.12Å; F851-E855 HydrophobicContact CZ-CB 4.43Å; F851-E855 HydrophobicContact CZ-CG 3.84Å; F851-E855 WeakPolarHBondContact O-CB 3.39Å; F851-E855 VanDerWaalsContact O-CG 3.25Å; F851-E855 WeakPolarHBondContact O-CG 3.39Å; F851-E855 PolarHBondContact O-N 3.35Å; E855-E857 PolarHBondContact O-N 2.89Å; E855-F859 HydrophobicContact CB-CE2 3.81Å; E855-F859 HydrophobicContact CB-CZ 3.82Å; E855-F859 VanDerWaalsContact O-CE2 3.28Å; E855-F859 WeakPolarHBondContact O-CE2 3.48Å | ||
| 856 | T | 57.8 | Low | 67.2 | Low | 37 Ų | 37 | 71.2 Ų | 71.2 | 23% | 0.227 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -0.8 | -166.7 | 58.3 | 0 | 0 | 0 | 0 | 117.4 | K735 F789 A852 | K735-T856 VanDerWaalsContact NZ-CG2 3.31Å; K735-T856 PolarHBondContact NZ-OG1 3.2Å; F789-T856 HydrophobicContact CD2-CG2 3.52Å; F789-T856 HydrophobicContact CE2-CG2 4.02Å; A852-T856 WeakPolarHBondContact O-CG2 3.45Å |
| 857 | E | 49.8 | Very low | 65.4 | Low | 72 Ų | 72 | 72 Ų | 72 | 34% | 0.336 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -4.9 | 179.7 | -69.3 | -150.7 | 122.5 | 0 | 0 | 115.1 | K629 D733 E855 | K629-E857 WeakPolarHBondContact CD-OE1 2.95Å; K629-E857 IonicContact NZ-OE1 3.73Å; K629-E857 PolarHBondContact NZ-OE1 2.79Å; K629-E857 IonicContact NZ-OE2 3.23Å; K629-E857 PolarHBondContact NZ-OE2 3.49Å; D733-E857 WeakPolarHBondContact CA-OE1 3.32Å; D733-E857 HydrophobicContact CB-CG 3.85Å; D733-E857 WeakPolarHBondContact CB-OE1 3.14Å; E855-E857 PolarHBondContact O-N 2.89Å |
| 858 | G | 39 | Very low | 63.5 | Low | 58 Ų | 58 | 68.1 Ų | 68.1 | 60% | 0.598 | 37% | 0.365 | S | S | * | . | trans | -149.5 | 22.4 | -161.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | G860 | G858-G860 PolarHBondContact O-N 3.34Š| ||
| 859 | F | 36.4 | Very low | 61.4 | Low | 76 Ų | 76 | 69.3 Ų | 69.3 | 33% | 0.333 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 65.8 | 176.2 | -70 | -74.1 | 0 | 0 | 0 | 111.5 | K634 L824 F851 E855 | K634-F859 WeakPolarHBondContact CE-O 3.3Å; K634-F859 VanDerWaalsContact NZ-CB 3.28Å; K634-F859 PolarHBondContact NZ-O 3.37Å; L824-F859 HydrophobicContact CD1-CD1 4.45Å; L824-F859 HydrophobicContact CD1-CE1 3.51Å; L824-F859 HydrophobicContact CD1-CZ 3.91Å; F851-F859 HydrophobicContact CD1-CZ 4.06Å; F851-F859 HydrophobicContact CE1-CE1 4.01Å; F851-F859 AromaticContact CE1-CZ 3.68Å; F851-F859 HydrophobicContact CE1-CZ 3.68Å; E855-F859 HydrophobicContact CB-CE2 3.81Å; E855-F859 HydrophobicContact CB-CZ 3.82Å; E855-F859 VanDerWaalsContact O-CE2 3.28Å; E855-F859 WeakPolarHBondContact O-CE2 3.48Å |
| 860 | G | 32.1 | Very low | 59 | Low | 65 Ų | 65 | 74.6 Ų | 74.6 | 67% | 0.67 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113 | 0.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114 | G858 | G858-G860 PolarHBondContact O-N 3.34Š|
| 861 | Q | 25.5 | Very low | 56.3 | Low | 186 Ų | 186 | 77.6 Ų | 77.6 | 87% | 0.869 | 42% | 0.421 | S | S | * | . | trans | -122.2 | 93.6 | 174.4 | -81.7 | 167.7 | -10.8 | 0 | 0 | 108.9 | ||||
| 862 | E | 28.4 | Very low | 53.5 | Low | 250 Ų | 250 | 76.4 Ų | 76.4 | 100% | 1.168 | 42% | 0.423 | S | S | * | . | trans | -88.7 | 0 | 135.7 | -78.4 | -173.9 | 167.5 | 0 | 0 | 107.7 |
Retrieved 862 of 862 residues in 2011.3 ms
(Link to these results)