| 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 | N | 42.8 | Very low | 72.6 | Confident | 207 Ų | 207 | 131.8 Ų | 131.8 | 100% | 1.107 | 67% | 0.673 | S | S | * | * | 0 | 82.8 | 0 | -68.3 | -6.5 | 0 | 0 | 0 | 111 | L3 | N1-L3 PolarHBondContact O-N 3.2Š| |||
| 2 | N | 53.5 | Low | 73.3 | Confident | 158 Ų | 158 | 125.6 Ų | 125.6 | 85% | 0.845 | 64% | 0.639 | S | S | * | * | trans | -95.9 | 78 | 174.3 | -88.8 | -13.1 | 0 | 0 | 0 | 109.3 | K4 | N2-K4 PolarHBondContact O-N 3.45Š| ||
| 3 | L | 64.3 | Low | 73.5 | Confident | 171 Ų | 171 | 127.1 Ų | 127.1 | 90% | 0.895 | 65% | 0.65 | S | S | * | * | trans | -72.6 | 106.3 | 166.6 | -72.5 | 166.5 | 0 | 0 | 0 | 107.6 | N1 | N1-L3 PolarHBondContact O-N 3.2Š| ||
| 4 | K | 75.9 | Confident | 74.3 | Confident | 184 Ų | 184 | 124.1 Ų | 124.1 | 80% | 0.8 | 64% | 0.636 | S | S | * | * | trans | -91.8 | 129.9 | 168.7 | -73.9 | -173.8 | 177.7 | -178.9 | 0 | 108.8 | N2 K6 | N2-K4 PolarHBondContact O-N 3.45Å; K4-K6 PolarHBondContact O-N 3.46Å | ||
| 5 | P | 77.6 | Confident | 75.2 | Confident | 93 Ų | 93 | 121.5 Ų | 121.5 | 60% | 0.604 | 62% | 0.622 | S | S | * | * | trans | -65 | 134.6 | 177.8 | 26.9 | -33 | 0 | 0 | 0 | 110 | V7 V8 | P5-V7 VanDerWaalsContact C-N 3.32Å; P5-V8 HydrophobicContact CB-CG2 4.41Å; P5-V8 HydrophobicContact CG-CG2 3.96Å | ||
| 6 | K | 77.4 | Confident | 76.2 | Confident | 181 Ų | 181 | 115.6 Ų | 115.6 | 79% | 0.787 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -63.3 | -39 | 175.9 | -174.2 | 178.6 | 177.8 | -179.4 | 0 | 111.7 | K4 | K4-K6 PolarHBondContact O-N 3.46Š|
| 7 | V | 80.1 | Confident | 77.1 | Confident | 71 Ų | 71 | 109.2 Ų | 109.2 | 43% | 0.43 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -147.1 | 141.3 | 174.5 | 177.2 | 0 | 0 | 0 | 0 | 107.7 | P5 L9 F47 | P5-V7 VanDerWaalsContact C-N 3.32Å; V7-L9 HydrophobicContact CG1-CD2 4.2Å; V7-F47 HydrophobicContact CB-CB 4.23Å; V7-F47 HydrophobicContact CG1-CB 4.27Å; V7-F47 HydrophobicContact CG2-CB 4.08Å; V7-F47 HydrophobicContact CG2-CG 4.45Å |
| 8 | V | 81.9 | Confident | 77.9 | Confident | 101 Ų | 101 | 108 Ų | 108 | 61% | 0.612 | 56% | 0.559 | S | S | * | * | trans | -95 | 111.9 | 171.4 | 179.4 | 0 | 0 | 0 | 0 | 108.1 | P5 | P5-V8 HydrophobicContact CB-CG2 4.41Å; P5-V8 HydrophobicContact CG-CG2 3.96Å | ||
| 9 | L | 82.1 | Confident | 78.7 | Confident | 50 Ų | 50 | 104.3 Ų | 104.3 | 26% | 0.262 | 54% | 0.54 | S | S | . | . | trans | -83.8 | -41.7 | -175.4 | -63 | 168.8 | 0 | 0 | 0 | 112.7 | V7 F29 V43 F47 | V7-L9 HydrophobicContact CG1-CD2 4.2Å; L9-F29 HydrophobicContact CD1-CE2 4.21Å; L9-F29 HydrophobicContact CD1-CZ 4.43Å; L9-V43 HydrophobicContact CD1-CG1 4.31Å; L9-V43 HydrophobicContact CD1-CG2 4.11Å; L9-V43 HydrophobicContact CD2-CG1 3.71Å; L9-V43 HydrophobicContact CD2-CG2 4.25Å; L9-F47 HydrophobicContact CD2-CB 4.24Å; L9-F47 VanDerWaalsContact CD2-O 3.25Å; L9-F47 WeakPolarHBondContact CD2-O 3.4Å | ||
| 10 | L | 81.8 | Confident | 79.3 | Confident | 54 Ų | 54 | 102.2 Ų | 102.2 | 28% | 0.283 | 54% | 0.539 | S | S | . | . | trans | -151.6 | 139.4 | 177.7 | -179.6 | 66.6 | 0 | 0 | 0 | 109.2 | I31 L41 P52 | L10-I31 HydrophobicContact CD2-CD1 3.68Å; L10-L41 HydrophobicContact CB-CD2 3.86Å; L10-L41 HydrophobicContact CD2-CD2 4.28Å; L10-P52 HydrophobicContact CD1-CG 4.09Å; L10-P52 HydrophobicContact CD2-CG 4.5Å | ||
| 11 | K | 81.6 | Confident | 79.5 | Confident | 180 Ų | 180 | 98.3 Ų | 98.3 | 78% | 0.783 | 52% | 0.518 | S | S | * | . | trans | -118 | 115.6 | 170.3 | -169.6 | 177.9 | -177.8 | -178.3 | 0 | 108.5 | ||||
| 12 | H | 80.6 | Confident | 81.4 | Confident | 57 Ų | 57 | 95.8 Ų | 95.8 | 26% | 0.264 | 50% | 0.497 | S | S | . | . | trans | -137.9 | 135 | 179.7 | -168.4 | -80.5 | 0 | 0 | 0 | 109.1 | D14 M15 | H12-D14 PolarHBondContact ND1-N 3.49Å; H12-D14 PolarHBondContact O-N 2.81Å; H12-M15 HydrophobicContact CB-CG 3.78Å; H12-M15 HydrophobicContact CB-SD 4.06Å | ||
| 13 | N | 75.5 | Confident | 82.4 | Confident | 145 Ų | 145 | 89 Ų | 89 | 78% | 0.775 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -23.3 | -167.7 | -67.5 | -19.5 | 0 | 0 | 0 | 113.4 | ||
| 14 | D | 84.6 | Confident | 82.8 | Confident | 86 Ų | 86 | 84.9 Ų | 84.9 | 46% | 0.46 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | 31.2 | -169.4 | -62.6 | -52.4 | 0 | 0 | 0 | 113.9 | H12 T16 T33 A34 | H12-D14 PolarHBondContact ND1-N 3.49Å; H12-D14 PolarHBondContact O-N 2.81Å; D14-T16 PolarHBondContact O-N 3.26Å; D14-T33 CarbonylContact O-C 3.52Å; D14-T33 WeakPolarHBondContact O-CA 3.48Å; D14-T33 WeakPolarHBondContact O-CB 3.45Å; D14-A34 HydrophobicContact CB-CB 4.01Å; D14-A34 PolarHBondContact O-N 3.3Å |
| 15 | M | 88.9 | Confident | 82.7 | Confident | 85 Ų | 85 | 77.5 Ų | 77.5 | 42% | 0.419 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 129.4 | 178.3 | -62.2 | -174.5 | -71.1 | 0 | 0 | 111 | H12 I31 | H12-M15 HydrophobicContact CB-CG 3.78Å; H12-M15 HydrophobicContact CB-SD 4.06Å; M15-I31 HydrophobicContact CB-CG2 4.18Å; M15-I31 HydrophobicContact CG-CG2 3.69Å; M15-I31 HydrophobicContact SD-CG2 3.8Å |
| 16 | T | 91.2 | Very high | 82.8 | Confident | 27 Ų | 27 | 76.7 Ų | 76.7 | 17% | 0.166 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | -27 | -177.6 | 58.9 | 0 | 0 | 0 | 0 | 113.3 | D14 G32 A34 K63 V64 P66 | D14-T16 PolarHBondContact O-N 3.26Å; T16-G32 PolarHBondContact N-O 3.45Å; T16-G32 PolarHBondContact OG1-O 2.85Å; T16-A34 HydrophobicContact CG2-CB 3.65Å; T16-A34 VanDerWaalsContact CG2-N 3.32Å; T16-K63 HydrophobicContact CG2-CD 4.08Å; T16-K63 VanDerWaalsContact CG2-CE 3.44Å; T16-K63 HydrophobicContact CG2-CG 4.07Å; T16-V64 WeakPolarHBondContact CB-O 3.28Å; T16-V64 PolarHBondContact OG1-O 2.63Å; T16-P66 WeakPolarHBondContact O-CA 3.39Å |
| 17 | S | 90.5 | Very high | 83.2 | Confident | 6 Ų | 6 | 71.3 Ų | 71.3 | 4% | 0.042 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 150.9 | 177.1 | 53.9 | 0 | 0 | 0 | 0 | 111.1 | I31 G32 V64 F65 P66 I68 | S17-I31 CarbonylContact O-C 3.43Å; S17-I31 WeakPolarHBondContact O-CA 3.42Å; S17-G32 PolarHBondContact N-O 3.28Å; S17-G32 PolarHBondContact O-N 3.47Å; S17-G32 VanDerWaalsContact OG-CA 3.32Å; S17-G32 WeakPolarHBondContact OG-CA 3.44Å; S17-G32 PolarHBondContact OG-N 3.33Å; S17-V64 WeakPolarHBondContact OG-CG1 3.42Å; S17-F65 VanDerWaalsContact CB-O 3.3Å; S17-F65 WeakPolarHBondContact CB-O 3.45Å; S17-F65 PolarHBondContact OG-O 3.05Å; S17-P66 WeakPolarHBondContact CB-O 3.18Å; S17-I68 WeakPolarHBondContact OG-CD1 3.43Å; S17-I68 WeakPolarHBondContact OG-CG1 3.32Å |
| 18 | V | 92.4 | Very high | 83.6 | Confident | 88 Ų | 88 | 67.9 Ų | 67.9 | 53% | 0.533 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 126.3 | 173.4 | -177.6 | 0 | 0 | 0 | 0 | 108.5 | F29 F30 I31 | V18-F29 HydrophobicContact CG1-CD1 4.12Å; V18-F30 CarbonylContact C-O 3.54Å; V18-F30 WeakPolarHBondContact CA-O 3.44Å; V18-I31 HydrophobicContact CG1-CG1 4.47Å; V18-I31 HydrophobicContact CG2-CG1 4.39Å; V18-I31 HydrophobicContact CG2-CG2 4.39Å |
| 19 | L | 92.2 | Very high | 84.1 | Confident | 38 Ų | 38 | 65 Ų | 65 | 20% | 0.199 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 127.6 | 169.4 | 169.9 | 70.5 | 0 | 0 | 0 | 107.7 | F29 F30 I68 L70 V78 | L19-F29 CarbonylContact O-C 3.59Å; L19-F29 WeakPolarHBondContact O-CA 3.45Å; L19-F30 HydrophobicContact CB-CB 4.3Å; L19-F30 HydrophobicContact CB-CD2 4.5Å; L19-F30 HydrophobicContact CD2-CD2 3.98Å; L19-F30 HydrophobicContact CG-CD2 4.22Å; L19-F30 PolarHBondContact N-O 3.07Å; L19-F30 PolarHBondContact O-N 2.81Å; L19-I68 HydrophobicContact CB-CB 4.07Å; L19-I68 HydrophobicContact CB-CG2 4.32Å; L19-I68 HydrophobicContact CD2-CB 4.32Å; L19-I68 HydrophobicContact CD2-CG2 3.82Å; L19-L70 HydrophobicContact CD2-CB 4.12Å; L19-V78 HydrophobicContact CD2-CG1 3.89Å |
| 20 | A | 90.1 | Very high | 84.6 | Confident | 62 Ų | 62 | 62.6 Ų | 62.6 | 51% | 0.512 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 134.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | V28 F29 | A20-V28 CarbonylContact C-O 3.36Å; A20-V28 WeakPolarHBondContact CA-O 3.27Å; A20-F29 HydrophobicContact CB-CD1 3.68Å; A20-F29 HydrophobicContact CB-CE1 3.7Å |
| 21 | M | 84.9 | Confident | 85.2 | Confident | 21 Ų | 21 | 60.4 Ų | 60.4 | 10% | 0.103 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 147.7 | 169.2 | 70.9 | 174.9 | -65.4 | 0 | 0 | 110 | V28 F30 L110 | M21-V28 HydrophobicContact CG-CB 3.68Å; M21-V28 HydrophobicContact CG-CG1 4.36Å; M21-V28 HydrophobicContact CG-CG2 4.47Å; M21-V28 PolarHBondContact N-O 3.18Å; M21-V28 PolarHBondContact O-N 3.38Å; M21-V28 HydrophobicContact SD-CB 4.33Å; M21-F30 HydrophobicContact CG-CE2 3.85Å; M21-F30 HydrophobicContact SD-CE2 3.54Å; M21-F30 VanDerWaalsContact SD-CE2 3.54Å; M21-F30 HydrophobicContact SD-CZ 3.8Å; M21-L110 HydrophobicContact CE-CD2 3.97Å; M21-L110 HydrophobicContact SD-CD1 4.23Å |
| 22 | K | 81.2 | Confident | 85.7 | Confident | 154 Ų | 154 | 51.9 Ų | 51.9 | 67% | 0.67 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 119.8 | 175.3 | -172.4 | 179.7 | 179.8 | -177.8 | 0 | 109.4 | K24 | K22-K24 WeakPolarHBondContact CE-O 3.5Å |
| 23 | Q | 75 | Confident | 86.3 | Confident | 14 Ų | 14 | 49.1 Ų | 49.1 | 7% | 0.065 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 101.4 | 176.8 | -172.6 | 64.9 | 13.9 | 0 | 0 | 109 | A25 W26 P109 L110 | Q23-A25 PolarHBondContact O-N 2.81Å; Q23-A25 VanDerWaalsContact O-N 3.08Å; Q23-W26 PolarHBondContact N-O 2.81Å; Q23-W26 WeakPolarHBondContact O-CA 3.48Å; Q23-W26 WeakPolarHBondContact O-CB 3.16Å; Q23-W26 PolarHBondContact O-N 3.22Å; Q23-P109 HydrophobicContact CB-CB 4.47Å; Q23-P109 HydrophobicContact CG-CB 4.24Å; Q23-P109 WeakPolarHBondContact CG-O 3.38Å; Q23-L110 HydrophobicContact CB-CD2 4.36Å; Q23-L110 HydrophobicContact CG-CD2 3.77Å |
| 24 | K | 72.9 | Confident | 86.8 | Confident | 86 Ų | 86 | 44 Ų | 44 | 37% | 0.374 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | -113.8 | -172.6 | -64 | -175.2 | 172.8 | -172.8 | 0 | 112.3 | K22 W26 E152 | K22-K24 WeakPolarHBondContact CE-O 3.5Å; K24-W26 VanDerWaalsContact C-N 3.32Å; K24-E152 IonicContact NZ-OE1 2.97Å; K24-E152 PolarHBondContact NZ-OE1 2.74Å |
| 25 | A | 73.6 | Confident | 86.9 | Confident | 29 Ų | 29 | 42.3 Ų | 42.3 | 24% | 0.24 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -13.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q23 R45 | Q23-A25 PolarHBondContact O-N 2.81Å; Q23-A25 VanDerWaalsContact O-N 3.08Å; A25-R45 HydrophobicContact CB-CG 3.87Å; A25-R45 WeakPolarHBondContact O-CG 3.42Å |
| 26 | W | 80.1 | Confident | 86.8 | Confident | 76 Ų | 76 | 38.2 Ų | 38.2 | 29% | 0.288 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 147 | -169.8 | -63.5 | 82.5 | 0 | 0 | 0 | 111.5 | Q23 K24 A42 V43 D44 T50 P109 | Q23-W26 PolarHBondContact N-O 2.81Å; Q23-W26 WeakPolarHBondContact O-CA 3.48Å; Q23-W26 WeakPolarHBondContact O-CB 3.16Å; Q23-W26 PolarHBondContact O-N 3.22Å; K24-W26 VanDerWaalsContact C-N 3.32Å; W26-A42 HydrophobicContact CE3-CB 4.1Å; W26-V43 CarbonylContact C-O 3.57Å; W26-V43 VanDerWaalsContact CA-O 3.29Å; W26-V43 WeakPolarHBondContact CA-O 3.3Å; W26-V43 VanDerWaalsContact CE3-C 3.45Å; W26-D44 HydrophobicContact CD2-CB 4.39Å; W26-D44 HydrophobicContact CE3-CB 3.99Å; W26-D44 HydrophobicContact CH2-CB 3.88Å; W26-D44 HydrophobicContact CZ2-CB 4.28Å; W26-D44 HydrophobicContact CZ3-CB 3.71Å; W26-T50 HydrophobicContact CH2-CG2 4.26Å; W26-T50 HydrophobicContact CZ3-CG2 3.65Å; W26-P109 HydrophobicContact CB-CB 3.75Å; W26-P109 HydrophobicContact CB-CG 3.88Å; W26-P109 HydrophobicContact CD2-CB 4.16Å; W26-P109 HydrophobicContact CD2-CG 4.4Å; W26-P109 HydrophobicContact CG-CB 3.62Å; W26-P109 HydrophobicContact CG-CG 4.07Å |
| 27 | M | 85.8 | Confident | 86.7 | Confident | 67 Ų | 67 | 37.5 Ų | 37.5 | 33% | 0.33 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 124.8 | 165.1 | -65.7 | -175.7 | -66.6 | 0 | 0 | 108.5 | F29 A42 V43 F47 | M27-F29 HydrophobicContact CB-CE2 3.74Å; M27-F29 HydrophobicContact CB-CZ 4.02Å; M27-F29 HydrophobicContact CE-CZ 4.44Å; M27-F29 HydrophobicContact SD-CZ 4.33Å; M27-A42 CarbonylContact O-C 3.52Å; M27-A42 WeakPolarHBondContact O-CA 3.12Å; M27-V43 HydrophobicContact CB-CB 4.46Å; M27-V43 HydrophobicContact CE-CG1 4.41Å; M27-V43 PolarHBondContact N-O 2.86Å; M27-V43 PolarHBondContact O-N 3.09Å; M27-F47 HydrophobicContact CE-CD1 4.33Å; M27-F47 HydrophobicContact CE-CE1 4.25Å |
| 28 | V | 89.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 124.1 | 177.7 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | A20 M21 F30 K40 L41 A42 P109 | A20-V28 CarbonylContact C-O 3.36Å; A20-V28 WeakPolarHBondContact CA-O 3.27Å; M21-V28 HydrophobicContact CG-CB 3.68Å; M21-V28 HydrophobicContact CG-CG1 4.36Å; M21-V28 HydrophobicContact CG-CG2 4.47Å; M21-V28 PolarHBondContact N-O 3.18Å; M21-V28 PolarHBondContact O-N 3.38Å; M21-V28 HydrophobicContact SD-CB 4.33Å; V28-F30 HydrophobicContact CG1-CE1 4.41Å; V28-F30 HydrophobicContact CG1-CE2 4.22Å; V28-F30 HydrophobicContact CG1-CZ 3.97Å; V28-K40 HydrophobicContact CG1-CD 4.28Å; V28-K40 HydrophobicContact CG1-CG 3.8Å; V28-L41 CarbonylContact C-O 3.52Å; V28-L41 WeakPolarHBondContact CA-O 3.32Å; V28-A42 HydrophobicContact CG2-CB 4.13Å; V28-P109 HydrophobicContact CG2-CG 3.51Å |
| 29 | F | 92.2 | Very high | 86.8 | Confident | 40 Ų | 40 | 34 Ų | 34 | 18% | 0.175 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 127.2 | 179.9 | -59.6 | -88.6 | 0 | 0 | 0 | 109.9 | L9 V18 L19 A20 M27 I31 K40 L41 V43 | L9-F29 HydrophobicContact CD1-CE2 4.21Å; L9-F29 HydrophobicContact CD1-CZ 4.43Å; V18-F29 HydrophobicContact CG1-CD1 4.12Å; L19-F29 CarbonylContact O-C 3.59Å; L19-F29 WeakPolarHBondContact O-CA 3.45Å; A20-F29 HydrophobicContact CB-CD1 3.68Å; A20-F29 HydrophobicContact CB-CE1 3.7Å; M27-F29 HydrophobicContact CB-CE2 3.74Å; M27-F29 HydrophobicContact CB-CZ 4.02Å; M27-F29 HydrophobicContact CE-CZ 4.44Å; M27-F29 HydrophobicContact SD-CZ 4.33Å; F29-I31 HydrophobicContact CB-CD1 4.45Å; F29-I31 HydrophobicContact CB-CG1 4.28Å; F29-K40 CarbonylContact O-C 3.54Å; F29-K40 VanDerWaalsContact O-CA 3.29Å; F29-K40 WeakPolarHBondContact O-CA 3.44Å; F29-L41 HydrophobicContact CB-CB 4.33Å; F29-L41 PolarHBondContact N-O 2.96Å; F29-L41 PolarHBondContact O-N 2.82Å; F29-V43 HydrophobicContact CD2-CG2 3.87Å; F29-V43 HydrophobicContact CE2-CB 4.19Å; F29-V43 HydrophobicContact CE2-CG2 3.65Å |
| 30 | F | 93.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 121.1 | 167.4 | -54.8 | -82.7 | 0 | 0 | 0 | 108.8 | V18 L19 M21 V28 L38 M39 K40 L55 I68 V78 V91 | V18-F30 CarbonylContact C-O 3.54Å; V18-F30 WeakPolarHBondContact CA-O 3.44Å; L19-F30 HydrophobicContact CB-CB 4.3Å; L19-F30 HydrophobicContact CB-CD2 4.5Å; L19-F30 HydrophobicContact CD2-CD2 3.98Å; L19-F30 HydrophobicContact CG-CD2 4.22Å; L19-F30 PolarHBondContact N-O 3.07Å; L19-F30 PolarHBondContact O-N 2.81Å; M21-F30 HydrophobicContact CG-CE2 3.85Å; M21-F30 HydrophobicContact SD-CE2 3.54Å; M21-F30 VanDerWaalsContact SD-CE2 3.54Å; M21-F30 HydrophobicContact SD-CZ 3.8Å; V28-F30 HydrophobicContact CG1-CE1 4.41Å; V28-F30 HydrophobicContact CG1-CE2 4.22Å; V28-F30 HydrophobicContact CG1-CZ 3.97Å; F30-L38 HydrophobicContact CB-CD1 4.12Å; F30-M39 CarbonylContact C-O 3.44Å; F30-M39 VanDerWaalsContact CA-O 3.26Å; F30-M39 WeakPolarHBondContact CA-O 3.44Å; F30-K40 HydrophobicContact CD1-CB 4.22Å; F30-K40 HydrophobicContact CD1-CG 4.37Å; F30-K40 HydrophobicContact CE1-CB 4.32Å; F30-K40 HydrophobicContact CE1-CD 4.19Å; F30-K40 HydrophobicContact CE1-CG 4.08Å; F30-L55 HydrophobicContact CD1-CD1 3.79Å; F30-L55 HydrophobicContact CE1-CD1 3.7Å; F30-I68 HydrophobicContact CB-CD1 4.47Å; F30-V78 HydrophobicContact CD1-CG1 4.44Å; F30-V78 HydrophobicContact CD1-CG2 4.45Å; F30-V78 HydrophobicContact CD2-CG1 4.15Å; F30-V78 HydrophobicContact CE2-CG1 4.21Å; F30-V78 HydrophobicContact CG-CG1 4.26Å; F30-V78 HydrophobicContact CZ-CG1 4.41Å; F30-V91 HydrophobicContact CE1-CB 4.01Å; F30-V91 HydrophobicContact CE1-CG1 4.08Å; F30-V91 HydrophobicContact CZ-CB 3.79Å; F30-V91 HydrophobicContact CZ-CG1 3.73Å |
| 31 | I | 93.8 | Very high | 86.7 | Confident | 8 Ų | 8 | 29.8 Ų | 29.8 | 4% | 0.041 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 116.1 | -170.3 | -54.9 | 171.4 | 0 | 0 | 0 | 107.8 | L10 M15 S17 V18 F29 M39 | L10-I31 HydrophobicContact CD2-CD1 3.68Å; M15-I31 HydrophobicContact CB-CG2 4.18Å; M15-I31 HydrophobicContact CG-CG2 3.69Å; M15-I31 HydrophobicContact SD-CG2 3.8Å; S17-I31 CarbonylContact O-C 3.43Å; S17-I31 WeakPolarHBondContact O-CA 3.42Å; V18-I31 HydrophobicContact CG1-CG1 4.47Å; V18-I31 HydrophobicContact CG2-CG1 4.39Å; V18-I31 HydrophobicContact CG2-CG2 4.39Å; F29-I31 HydrophobicContact CB-CD1 4.45Å; F29-I31 HydrophobicContact CB-CG1 4.28Å; I31-M39 HydrophobicContact CB-CB 4.34Å; I31-M39 PolarHBondContact N-O 2.96Å; I31-M39 PolarHBondContact O-N 2.96Å |
| 32 | G | 92.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 145.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111 | T16 S17 L37 | T16-G32 PolarHBondContact N-O 3.45Å; T16-G32 PolarHBondContact OG1-O 2.85Å; S17-G32 PolarHBondContact N-O 3.28Å; S17-G32 PolarHBondContact O-N 3.47Å; S17-G32 VanDerWaalsContact OG-CA 3.32Å; S17-G32 WeakPolarHBondContact OG-CA 3.44Å; S17-G32 PolarHBondContact OG-N 3.33Å; G32-L37 CarbonylContact C-O 3.54Å; G32-L37 WeakPolarHBondContact CA-O 3.45Å |
| 33 | T | 91.3 | Very high | 87 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 161.9 | 179.7 | 67 | 0 | 0 | 0 | 0 | 113.5 | D14 D35 G36 L37 M39 V64 | D14-T33 CarbonylContact O-C 3.52Å; D14-T33 WeakPolarHBondContact O-CA 3.48Å; D14-T33 WeakPolarHBondContact O-CB 3.45Å; T33-D35 WeakPolarHBondContact CB-OD1 3.45Å; T33-D35 PolarHBondContact O-N 3.21Å; T33-D35 PolarHBondContact OG1-OD1 3.3Å; T33-G36 PolarHBondContact O-N 3.12Å; T33-L37 HydrophobicContact CG2-CB 4.24Å; T33-L37 PolarHBondContact N-O 3.26Å; T33-L37 WeakPolarHBondContact OG1-CA 3.34Å; T33-L37 WeakPolarHBondContact OG1-CB 3.4Å; T33-L37 PolarHBondContact OG1-N 2.84Å; T33-L37 PolarHBondContact OG1-O 3.08Å; T33-M39 HydrophobicContact CG2-SD 4.07Å; T33-V64 WeakPolarHBondContact O-CB 3.06Å; T33-V64 PolarHBondContact O-N 2.89Å |
| 34 | A | 87.1 | Confident | 87.2 | Confident | 37 Ų | 37 | 22.5 Ų | 22.5 | 31% | 0.306 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -21.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | D14 T16 K63 | D14-A34 HydrophobicContact CB-CB 4.01Å; D14-A34 PolarHBondContact O-N 3.3Å; T16-A34 HydrophobicContact CG2-CB 3.65Å; T16-A34 VanDerWaalsContact CG2-N 3.32Å; A34-K63 HydrophobicContact CB-CD 4.47Å; A34-K63 WeakPolarHBondContact O-CA 3.27Å; A34-K63 WeakPolarHBondContact O-CB 3.39Å; A34-K63 PolarHBondContact O-N 3.18Å |
| 35 | D | 86.4 | Confident | 87.4 | Confident | 50 Ų | 50 | 27.4 Ų | 27.4 | 27% | 0.267 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 13.4 | 174.8 | 69.4 | -36.1 | 0 | 0 | 0 | 113.4 | T33 L37 K61 | T33-D35 WeakPolarHBondContact CB-OD1 3.45Å; T33-D35 PolarHBondContact O-N 3.21Å; T33-D35 PolarHBondContact OG1-OD1 3.3Å; D35-L37 WeakPolarHBondContact OD2-CD1 3.47Å; D35-K61 CarbonylContact O-C 3.57Å; D35-K61 WeakPolarHBondContact O-CA 3.22Å; D35-K61 WeakPolarHBondContact O-CB 3.06Å |
| 36 | G | 86.1 | Confident | 87.5 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 83.7 | 24.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | T33 E58 R62 | T33-G36 PolarHBondContact O-N 3.12Å; G36-E58 PolarHBondContact O-N 3.35Å; G36-R62 WeakPolarHBondContact CA-O 3.46Å; G36-R62 PolarHBondContact N-O 3.48Å |
| 37 | L | 90.5 | Very high | 87.4 | Confident | 12 Ų | 12 | 31.9 Ų | 31.9 | 6% | 0.063 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 144.6 | 174.6 | -50.8 | 176.6 | 0 | 0 | 0 | 110.7 | G32 T33 D35 M39 I54 Y56 R57 V64 | G32-L37 CarbonylContact C-O 3.54Å; G32-L37 WeakPolarHBondContact CA-O 3.45Å; T33-L37 HydrophobicContact CG2-CB 4.24Å; T33-L37 PolarHBondContact N-O 3.26Å; T33-L37 WeakPolarHBondContact OG1-CA 3.34Å; T33-L37 WeakPolarHBondContact OG1-CB 3.4Å; T33-L37 PolarHBondContact OG1-N 2.84Å; T33-L37 PolarHBondContact OG1-O 3.08Å; D35-L37 WeakPolarHBondContact OD2-CD1 3.47Å; L37-M39 HydrophobicContact CB-CG 4.44Å; L37-I54 HydrophobicContact CD2-CG2 4.45Å; L37-Y56 WeakPolarHBondContact CA-O 3.32Å; L37-R57 HydrophobicContact CD2-CB 3.78Å; L37-R57 HydrophobicContact CD2-CG 3.6Å; L37-V64 WeakPolarHBondContact O-CG2 3.35Å |
| 38 | L | 92.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 112.3 | 162.7 | 179.8 | 62.6 | 0 | 0 | 0 | 108.3 | F30 L55 Y56 I68 V78 L80 V89 | F30-L38 HydrophobicContact CB-CD1 4.12Å; L38-L55 HydrophobicContact CD2-CB 4.33Å; L38-L55 HydrophobicContact CG-CB 4.41Å; L38-L55 PolarHBondContact O-N 2.89Å; L38-Y56 PolarHBondContact N-O 2.99Å; L38-Y56 PolarHBondContact O-N 3.44Å; L38-I68 HydrophobicContact CD1-CD1 3.65Å; L38-V78 HydrophobicContact CD2-CG2 3.63Å; L38-L80 HydrophobicContact CB-CD1 4.22Å; L38-L80 HydrophobicContact CB-CD2 4.11Å; L38-L80 HydrophobicContact CD1-CD1 3.97Å; L38-L80 HydrophobicContact CD2-CD1 4.31Å; L38-L80 HydrophobicContact CG-CD1 4.39Å; L38-V89 HydrophobicContact CD2-CB 3.99Å; L38-V89 HydrophobicContact CD2-CG1 4.07Å; L38-V89 HydrophobicContact CD2-CG2 4.13Å |
| 39 | M | 91.1 | Very high | 86.4 | Confident | 20 Ų | 20 | 38.2 Ų | 38.2 | 10% | 0.099 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 145.8 | 178.9 | -58 | 175.2 | 68.2 | 0 | 0 | 110.2 | F30 I31 T33 L37 P52 E53 | F30-M39 CarbonylContact C-O 3.44Å; F30-M39 VanDerWaalsContact CA-O 3.26Å; F30-M39 WeakPolarHBondContact CA-O 3.44Å; I31-M39 HydrophobicContact CB-CB 4.34Å; I31-M39 PolarHBondContact N-O 2.96Å; I31-M39 PolarHBondContact O-N 2.96Å; T33-M39 HydrophobicContact CG2-SD 4.07Å; L37-M39 HydrophobicContact CB-CG 4.44Å; M39-P52 HydrophobicContact CE-CB 3.6Å; M39-P52 HydrophobicContact CE-CG 4.4Å; M39-E53 CarbonylContact C-O 3.5Å; M39-E53 VanDerWaalsContact CA-O 3.22Å; M39-E53 WeakPolarHBondContact CA-O 3.28Å |
| 40 | K | 91.3 | Very high | 85.6 | Confident | 7 Ų | 7 | 37.5 Ų | 37.5 | 3% | 0.03 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 136.3 | 172.4 | 173 | -174.6 | 174.2 | 178.1 | 0 | 109.4 | V28 F29 F30 P52 E53 L55 V91 D108 | V28-K40 HydrophobicContact CG1-CD 4.28Å; V28-K40 HydrophobicContact CG1-CG 3.8Å; F29-K40 CarbonylContact O-C 3.54Å; F29-K40 VanDerWaalsContact O-CA 3.29Å; F29-K40 WeakPolarHBondContact O-CA 3.44Å; F30-K40 HydrophobicContact CD1-CB 4.22Å; F30-K40 HydrophobicContact CD1-CG 4.37Å; F30-K40 HydrophobicContact CE1-CB 4.32Å; F30-K40 HydrophobicContact CE1-CD 4.19Å; F30-K40 HydrophobicContact CE1-CG 4.08Å; K40-P52 CarbonylContact O-C 3.6Å; K40-P52 VanDerWaalsContact O-CA 3.24Å; K40-P52 WeakPolarHBondContact O-CA 3.39Å; K40-E53 HydrophobicContact CB-CB 4.4Å; K40-E53 PolarHBondContact N-O 3.41Å; K40-E53 PolarHBondContact O-N 3.02Å; K40-L55 HydrophobicContact CB-CD1 3.74Å; K40-L55 HydrophobicContact CB-CD2 4.32Å; K40-L55 HydrophobicContact CB-CG 3.81Å; K40-L55 HydrophobicContact CD-CD1 4.13Å; K40-L55 HydrophobicContact CD-CD2 4.22Å; K40-L55 HydrophobicContact CD-CG 4.45Å; K40-L55 HydrophobicContact CG-CD1 4.45Å; K40-V91 VanDerWaalsContact CD-O 3.32Å; K40-V91 WeakPolarHBondContact CD-O 3.37Å; K40-V91 WeakPolarHBondContact CE-O 3.42Å; K40-V91 PolarHBondContact NZ-O 2.92Å; K40-D108 IonicContact NZ-OD1 2.71Å; K40-D108 PolarHBondContact NZ-OD1 2.78Å; K40-D108 IonicContact NZ-OD2 3Å; K40-D108 PolarHBondContact NZ-OD2 3.41Å |
| 41 | L | 90.1 | Very high | 84.7 | Confident | 5 Ų | 5 | 40.7 Ų | 40.7 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 115.5 | 178.9 | -179.1 | 62.9 | 0 | 0 | 0 | 109.8 | L10 V28 F29 V43 P49 T50 P52 | L10-L41 HydrophobicContact CB-CD2 3.86Å; L10-L41 HydrophobicContact CD2-CD2 4.28Å; V28-L41 CarbonylContact C-O 3.52Å; V28-L41 WeakPolarHBondContact CA-O 3.32Å; F29-L41 HydrophobicContact CB-CB 4.33Å; F29-L41 PolarHBondContact N-O 2.96Å; F29-L41 PolarHBondContact O-N 2.82Å; L41-V43 HydrophobicContact CG-CG2 4.26Å; L41-P49 HydrophobicContact CD1-CB 3.84Å; L41-P49 HydrophobicContact CD2-CB 4.42Å; L41-P49 HydrophobicContact CG-CB 4.34Å; L41-T50 WeakPolarHBondContact CD1-O 3.35Å; L41-P52 HydrophobicContact CD1-CB 4.46Å; L41-P52 HydrophobicContact CD1-CG 3.89Å |
| 42 | A | 86.8 | Confident | 84 | Confident | 2 Ų | 2 | 41.8 Ų | 41.8 | 2% | 0.017 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 147.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | W26 M27 V28 P49 T50 P109 | W26-A42 HydrophobicContact CE3-CB 4.1Å; M27-A42 CarbonylContact O-C 3.52Å; M27-A42 WeakPolarHBondContact O-CA 3.12Å; V28-A42 HydrophobicContact CG2-CB 4.13Å; A42-P49 CarbonylContact O-C 3.54Å; A42-P49 WeakPolarHBondContact O-CA 3.37Å; A42-T50 HydrophobicContact CB-CG2 3.97Å; A42-T50 WeakPolarHBondContact CB-OG1 3.29Å; A42-T50 PolarHBondContact N-OG1 3.41Å; A42-T50 VanDerWaalsContact N-OG1 3.14Å; A42-T50 PolarHBondContact O-N 3.24Å; A42-T50 PolarHBondContact O-OG1 3.46Å; A42-P109 HydrophobicContact CB-CG 3.91Å |
| 43 | V | 84.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 128.7 | -176.5 | -176.3 | 0 | 0 | 0 | 0 | 109 | L9 W26 M27 F29 L41 K48 P49 | L9-V43 HydrophobicContact CD1-CG1 4.31Å; L9-V43 HydrophobicContact CD1-CG2 4.11Å; L9-V43 HydrophobicContact CD2-CG1 3.71Å; L9-V43 HydrophobicContact CD2-CG2 4.25Å; W26-V43 CarbonylContact C-O 3.57Å; W26-V43 VanDerWaalsContact CA-O 3.29Å; W26-V43 WeakPolarHBondContact CA-O 3.3Å; W26-V43 VanDerWaalsContact CE3-C 3.45Å; M27-V43 HydrophobicContact CB-CB 4.46Å; M27-V43 HydrophobicContact CE-CG1 4.41Å; M27-V43 PolarHBondContact N-O 2.86Å; M27-V43 PolarHBondContact O-N 3.09Å; F29-V43 HydrophobicContact CD2-CG2 3.87Å; F29-V43 HydrophobicContact CE2-CB 4.19Å; F29-V43 HydrophobicContact CE2-CG2 3.65Å; L41-V43 HydrophobicContact CG-CG2 4.26Å; V43-K48 WeakPolarHBondContact CA-O 3.43Å; V43-P49 HydrophobicContact CG2-CB 4.21Å |
| 44 | D | 79.6 | Confident | 83.4 | Confident | 33 Ų | 33 | 47.8 Ų | 47.8 | 18% | 0.176 | 24% | 0.243 | C | C | . | . | trans | -76.8 | 179.3 | -179.3 | 79 | 2 | 0 | 0 | 0 | 112.8 | W26 N46 F47 K48 | W26-D44 HydrophobicContact CD2-CB 4.39Å; W26-D44 HydrophobicContact CE3-CB 3.99Å; W26-D44 HydrophobicContact CH2-CB 3.88Å; W26-D44 HydrophobicContact CZ2-CB 4.28Å; W26-D44 HydrophobicContact CZ3-CB 3.71Å; D44-N46 PolarHBondContact O-N 3.05Å; D44-N46 VanDerWaalsContact OD1-C 3.24Å; D44-N46 VanDerWaalsContact OD1-CA 3.27Å; D44-N46 WeakPolarHBondContact OD1-CA 3.25Å; D44-N46 WeakPolarHBondContact OD1-CB 3.37Å; D44-N46 PolarHBondContact OD1-N 3.01Å; D44-F47 PolarHBondContact O-N 3.28Å; D44-F47 PolarHBondContact OD1-N 3.34Å; D44-K48 PolarHBondContact N-O 3.09Å; D44-K48 WeakPolarHBondContact OD1-CB 3.5Å; D44-K48 PolarHBondContact OD1-N 3.36Å | ||
| 45 | R | 76.8 | Confident | 83.5 | Confident | 190 Ų | 190 | 46.1 Ų | 46.1 | 72% | 0.717 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -21.3 | 177.7 | -65.1 | -177.6 | 177.8 | 169.6 | 5.3 | 113.9 | A25 F47 | A25-R45 HydrophobicContact CB-CG 3.87Å; A25-R45 WeakPolarHBondContact O-CG 3.42Å; R45-F47 VanDerWaalsContact C-N 3.34Å |
| 46 | N | 77.4 | Confident | 83.6 | Confident | 120 Ų | 120 | 45.6 Ų | 45.6 | 64% | 0.642 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 11.8 | -179.4 | -64.2 | -41.7 | 0 | 0 | 0 | 112.5 | D44 K48 | D44-N46 PolarHBondContact O-N 3.05Å; D44-N46 VanDerWaalsContact OD1-C 3.24Å; D44-N46 VanDerWaalsContact OD1-CA 3.27Å; D44-N46 WeakPolarHBondContact OD1-CA 3.25Å; D44-N46 WeakPolarHBondContact OD1-CB 3.37Å; D44-N46 PolarHBondContact OD1-N 3.01Å; N46-K48 HydrophobicContact CB-CG 4.48Å; N46-K48 PolarHBondContact O-N 3.11Å |
| 47 | F | 78 | Confident | 83.7 | Confident | 79 Ų | 79 | 52.8 Ų | 52.8 | 35% | 0.346 | 25% | 0.251 | S | S | . | . | S | Bend | trans | 62.1 | 27 | -176.4 | -51.9 | -79.7 | 0 | 0 | 0 | 113.8 | V7 L9 M27 D44 R45 P49 | V7-F47 HydrophobicContact CB-CB 4.23Å; V7-F47 HydrophobicContact CG1-CB 4.27Å; V7-F47 HydrophobicContact CG2-CB 4.08Å; V7-F47 HydrophobicContact CG2-CG 4.45Å; L9-F47 HydrophobicContact CD2-CB 4.24Å; L9-F47 VanDerWaalsContact CD2-O 3.25Å; L9-F47 WeakPolarHBondContact CD2-O 3.4Å; M27-F47 HydrophobicContact CE-CD1 4.33Å; M27-F47 HydrophobicContact CE-CE1 4.25Å; D44-F47 PolarHBondContact O-N 3.28Å; D44-F47 PolarHBondContact OD1-N 3.34Å; R45-F47 VanDerWaalsContact C-N 3.34Å; F47-P49 WeakPolarHBondContact O-CD 3.46Å |
| 48 | K | 74.9 | Confident | 83.2 | Confident | 140 Ų | 140 | 53.1 Ų | 53.1 | 61% | 0.609 | 25% | 0.252 | S | S | * | . | trans | -88.4 | 117.1 | 170.6 | -63.5 | -178.5 | 178.4 | 177.6 | 0 | 109.3 | V43 D44 N46 | V43-K48 WeakPolarHBondContact CA-O 3.43Å; D44-K48 PolarHBondContact N-O 3.09Å; D44-K48 WeakPolarHBondContact OD1-CB 3.5Å; D44-K48 PolarHBondContact OD1-N 3.36Å; N46-K48 HydrophobicContact CB-CG 4.48Å; N46-K48 PolarHBondContact O-N 3.11Å | ||
| 49 | P | 78.4 | Confident | 82.2 | Confident | 60 Ų | 60 | 58.7 Ų | 58.7 | 39% | 0.39 | 29% | 0.291 | S | S | . | . | B | Isolated β-bridge | trans | -77 | 147.2 | 176.1 | 30.7 | -33 | 0 | 0 | 0 | 111.8 | L41 A42 V43 F47 | L41-P49 HydrophobicContact CD1-CB 3.84Å; L41-P49 HydrophobicContact CD2-CB 4.42Å; L41-P49 HydrophobicContact CG-CB 4.34Å; A42-P49 CarbonylContact O-C 3.54Å; A42-P49 WeakPolarHBondContact O-CA 3.37Å; V43-P49 HydrophobicContact CG2-CB 4.21Å; F47-P49 WeakPolarHBondContact O-CD 3.46Å |
| 50 | T | 76.6 | Confident | 81.4 | Confident | 25 Ų | 25 | 63.8 Ų | 63.8 | 15% | 0.153 | 32% | 0.315 | C | S | . | . | trans | -78.2 | 175.3 | 163.4 | 64.4 | 0 | 0 | 0 | 0 | 110.5 | W26 L41 A42 P52 Q107 | W26-T50 HydrophobicContact CH2-CG2 4.26Å; W26-T50 HydrophobicContact CZ3-CG2 3.65Å; L41-T50 WeakPolarHBondContact CD1-O 3.35Å; A42-T50 HydrophobicContact CB-CG2 3.97Å; A42-T50 WeakPolarHBondContact CB-OG1 3.29Å; A42-T50 PolarHBondContact N-OG1 3.41Å; A42-T50 VanDerWaalsContact N-OG1 3.14Å; A42-T50 PolarHBondContact O-N 3.24Å; A42-T50 PolarHBondContact O-OG1 3.46Å; T50-P52 WeakPolarHBondContact O-CD 3.39Å; T50-Q107 HydrophobicContact CG2-CB 4.28Å | ||
| 51 | C | 73.4 | Confident | 80.4 | Confident | 66 Ų | 66 | 70.4 Ų | 70.4 | 45% | 0.446 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 128.6 | 174.2 | -64.3 | 0 | 0 | 0 | 0 | 110.6 | E53 C201 | C51-E53 PolarHBondContact O-N 2.85Å; C51-C201 HydrophobicContact CB-CB 3.94Å |
| 52 | P | 79.8 | Confident | 79.9 | Confident | 32 Ų | 32 | 73.9 Ų | 73.9 | 21% | 0.208 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 122.2 | 172.4 | -21.3 | 24.8 | 0 | 0 | 0 | 112.2 | L10 M39 K40 L41 T50 C201 | L10-P52 HydrophobicContact CD1-CG 4.09Å; L10-P52 HydrophobicContact CD2-CG 4.5Å; M39-P52 HydrophobicContact CE-CB 3.6Å; M39-P52 HydrophobicContact CE-CG 4.4Å; K40-P52 CarbonylContact O-C 3.6Å; K40-P52 VanDerWaalsContact O-CA 3.24Å; K40-P52 WeakPolarHBondContact O-CA 3.39Å; L41-P52 HydrophobicContact CD1-CB 4.46Å; L41-P52 HydrophobicContact CD1-CG 3.89Å; T50-P52 WeakPolarHBondContact O-CD 3.39Å; P52-C201 VanDerWaalsContact CD-SG 3.58Å |
| 53 | E | 83.9 | Confident | 79.8 | Confident | 62 Ų | 62 | 79.3 Ų | 79.3 | 29% | 0.29 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 137.4 | 177 | -172.1 | -169.2 | 170.6 | 0 | 0 | 110.2 | M39 K40 C51 L55 | M39-E53 CarbonylContact C-O 3.5Å; M39-E53 VanDerWaalsContact CA-O 3.22Å; M39-E53 WeakPolarHBondContact CA-O 3.28Å; K40-E53 HydrophobicContact CB-CB 4.4Å; K40-E53 PolarHBondContact N-O 3.41Å; K40-E53 PolarHBondContact O-N 3.02Å; C51-E53 PolarHBondContact O-N 2.85Å; E53-L55 HydrophobicContact CG-CD2 4.24Å; E53-L55 PolarHBondContact O-N 3.26Å |
| 54 | I | 87.1 | Confident | 79.9 | Confident | 64 Ų | 64 | 79.3 Ų | 79.3 | 33% | 0.328 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 103.7 | 172.1 | -57.2 | 177.1 | 0 | 0 | 0 | 108.9 | L37 Y56 R57 | L37-I54 HydrophobicContact CD2-CG2 4.45Å; I54-Y56 WeakPolarHBondContact CG2-O 3.43Å; I54-R57 HydrophobicContact CG2-CB 4.45Å |
| 55 | L | 87.9 | Confident | 80.2 | Confident | 2 Ų | 2 | 81.2 Ų | 81.2 | 1% | 0.01 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | -27.9 | 177 | -63.2 | -175.9 | 0 | 0 | 0 | 112.4 | F30 L38 K40 E53 V89 R93 | F30-L55 HydrophobicContact CD1-CD1 3.79Å; F30-L55 HydrophobicContact CE1-CD1 3.7Å; L38-L55 HydrophobicContact CD2-CB 4.33Å; L38-L55 HydrophobicContact CG-CB 4.41Å; L38-L55 PolarHBondContact O-N 2.89Å; K40-L55 HydrophobicContact CB-CD1 3.74Å; K40-L55 HydrophobicContact CB-CD2 4.32Å; K40-L55 HydrophobicContact CB-CG 3.81Å; K40-L55 HydrophobicContact CD-CD1 4.13Å; K40-L55 HydrophobicContact CD-CD2 4.22Å; K40-L55 HydrophobicContact CD-CG 4.45Å; K40-L55 HydrophobicContact CG-CD1 4.45Å; E53-L55 HydrophobicContact CG-CD2 4.24Å; E53-L55 PolarHBondContact O-N 3.26Å; L55-V89 HydrophobicContact CB-CG1 3.82Å; L55-V89 WeakPolarHBondContact O-CG1 3.48Å; L55-R93 PolarHBondContact O-NH2 3.27Å |
| 56 | Y | 88.9 | Confident | 80.6 | Confident | 39 Ų | 39 | 76.6 Ų | 76.6 | 15% | 0.153 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 143.8 | 179.6 | -179.6 | -92 | 0 | 0 | 0 | 111.9 | L37 L38 I54 E58 L80 L82 E87 V89 | L37-Y56 WeakPolarHBondContact CA-O 3.32Å; L38-Y56 PolarHBondContact N-O 2.99Å; L38-Y56 PolarHBondContact O-N 3.44Å; I54-Y56 WeakPolarHBondContact CG2-O 3.43Å; Y56-E58 HydrophobicContact CE1-CB 3.95Å; Y56-E58 PolarHBondContact OH-OE2 2.89Å; Y56-L80 HydrophobicContact CD1-CD2 3.49Å; Y56-L80 VanDerWaalsContact CD1-CD2 3.49Å; Y56-L80 HydrophobicContact CE1-CD2 3.93Å; Y56-L80 HydrophobicContact CG-CD2 4.23Å; Y56-L82 HydrophobicContact CE1-CD1 4.04Å; Y56-E87 HydrophobicContact CE1-CG 4.29Å; Y56-E87 HydrophobicContact CE2-CB 4.3Å; Y56-E87 HydrophobicContact CE2-CG 3.9Å; Y56-E87 WeakPolarHBondContact CE2-OE1 3.24Å; Y56-E87 WeakPolarHBondContact OH-CG 3.46Å; Y56-E87 PolarHBondContact OH-OE1 3.39Å; Y56-V89 HydrophobicContact CD2-CG2 3.96Å; Y56-V89 HydrophobicContact CG-CG2 3.98Å |
| 57 | R | 87.8 | Confident | 80.9 | Confident | 150 Ų | 150 | 77.1 Ų | 77.1 | 57% | 0.566 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 119.5 | 174.2 | 175.7 | -179.5 | -62.4 | -96 | 2.8 | 108.9 | L37 I54 | L37-R57 HydrophobicContact CD2-CB 3.78Å; L37-R57 HydrophobicContact CD2-CG 3.6Å; I54-R57 HydrophobicContact CG2-CB 4.45Å |
| 58 | E | 79.6 | Confident | 81.6 | Confident | 19 Ų | 19 | 73.9 Ų | 73.9 | 9% | 0.089 | 36% | 0.364 | C | S | . | . | trans | -74.5 | 134.9 | 171.7 | -179.9 | 51.7 | -101.2 | 0 | 0 | 110.6 | G36 Y56 E60 K61 R62 | G36-E58 PolarHBondContact O-N 3.35Å; Y56-E58 HydrophobicContact CE1-CB 3.95Å; Y56-E58 PolarHBondContact OH-OE2 2.89Å; E58-E60 VanDerWaalsContact C-N 3.31Å; E58-E60 PolarHBondContact O-N 3.4Å; E58-E60 PolarHBondContact OE1-N 3.1Å; E58-K61 PolarHBondContact O-N 3.44Å; E58-R62 HydrophobicContact CG-CB 4.18Å; E58-R62 HydrophobicContact CG-CG 4.38Å | ||
| 59 | S | 72.6 | Confident | 82.2 | Confident | 117 Ų | 117 | 71.5 Ų | 71.5 | 82% | 0.818 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -32.4 | -177.8 | -60.4 | 0 | 0 | 0 | 0 | 112.2 | ||
| 60 | E | 74.1 | Confident | 82.6 | Confident | 127 Ų | 127 | 70.4 Ų | 70.4 | 59% | 0.593 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | 10.9 | -178.9 | -70.1 | -172.7 | -152 | 0 | 0 | 114.4 | E58 R62 | E58-E60 VanDerWaalsContact C-N 3.31Å; E58-E60 PolarHBondContact O-N 3.4Å; E58-E60 PolarHBondContact OE1-N 3.1Å; E60-R62 HydrophobicContact CB-CG 3.98Å; E60-R62 PolarHBondContact O-N 3.26Å; E60-R62 VanDerWaalsContact O-N 3.15Å; E60-R62 IonicContact OE1-CZ 2.77Å; E60-R62 IonicContact OE1-NH2 3.82Å; E60-R62 PolarHBondContact OE1-NH2 3.28Å; E60-R62 IonicContact OE2-CZ 3.28Å; E60-R62 IonicContact OE2-NE 2.94Å; E60-R62 PolarHBondContact OE2-NE 3.05Å; E60-R62 IonicContact OE2-NH2 3.06Å; E60-R62 PolarHBondContact OE2-NH2 3.47Å |
| 61 | K | 70.4 | Confident | 82.9 | Confident | 146 Ų | 146 | 70 Ų | 70 | 64% | 0.635 | 34% | 0.342 | S | S | * | . | trans | 51.5 | 34.6 | -179.2 | -57.9 | -176.1 | 179.4 | -177.7 | 0 | 115 | D35 E58 | D35-K61 CarbonylContact O-C 3.57Å; D35-K61 WeakPolarHBondContact O-CA 3.22Å; D35-K61 WeakPolarHBondContact O-CB 3.06Å; E58-K61 PolarHBondContact O-N 3.44Å | ||
| 62 | R | 79.4 | Confident | 83 | Confident | 79 Ų | 79 | 75.7 Ų | 75.7 | 30% | 0.298 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 133 | -179 | -61.1 | 172.5 | -176.2 | 163.8 | -6.4 | 110 | G36 E58 E60 V64 L82 | G36-R62 WeakPolarHBondContact CA-O 3.46Å; G36-R62 PolarHBondContact N-O 3.48Å; E58-R62 HydrophobicContact CG-CB 4.18Å; E58-R62 HydrophobicContact CG-CG 4.38Å; E60-R62 HydrophobicContact CB-CG 3.98Å; E60-R62 PolarHBondContact O-N 3.26Å; E60-R62 VanDerWaalsContact O-N 3.15Å; E60-R62 IonicContact OE1-CZ 2.77Å; E60-R62 IonicContact OE1-NH2 3.82Å; E60-R62 PolarHBondContact OE1-NH2 3.28Å; E60-R62 IonicContact OE2-CZ 3.28Å; E60-R62 IonicContact OE2-NE 2.94Å; E60-R62 PolarHBondContact OE2-NE 3.05Å; E60-R62 IonicContact OE2-NH2 3.06Å; E60-R62 PolarHBondContact OE2-NH2 3.47Å; R62-V64 PolarHBondContact O-N 3.43Å; R62-L82 WeakPolarHBondContact O-CD2 3.25Å |
| 63 | K | 84.4 | Confident | 82.3 | Confident | 115 Ų | 115 | 80.6 Ų | 80.6 | 50% | 0.5 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 129.8 | -179.3 | 172 | 165.2 | 178.7 | 177.5 | 0 | 113.2 | T16 A34 | T16-K63 HydrophobicContact CG2-CD 4.08Å; T16-K63 VanDerWaalsContact CG2-CE 3.44Å; T16-K63 HydrophobicContact CG2-CG 4.07Å; A34-K63 HydrophobicContact CB-CD 4.47Å; A34-K63 WeakPolarHBondContact O-CA 3.27Å; A34-K63 WeakPolarHBondContact O-CB 3.39Å; A34-K63 PolarHBondContact O-N 3.18Å |
| 64 | V | 86.3 | Confident | 81.4 | Confident | 0 Ų | 0 | 80.4 Ų | 80.4 | 0% | 0 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 131.4 | 166.6 | 177.1 | 0 | 0 | 0 | 0 | 109.4 | T16 S17 T33 L37 R62 I68 L80 L82 | T16-V64 WeakPolarHBondContact CB-O 3.28Å; T16-V64 PolarHBondContact OG1-O 2.63Å; S17-V64 WeakPolarHBondContact OG-CG1 3.42Å; T33-V64 WeakPolarHBondContact O-CB 3.06Å; T33-V64 PolarHBondContact O-N 2.89Å; L37-V64 WeakPolarHBondContact O-CG2 3.35Å; R62-V64 PolarHBondContact O-N 3.43Å; V64-I68 HydrophobicContact CG1-CG1 4.47Å; V64-L80 HydrophobicContact CB-CD1 4.21Å; V64-L80 HydrophobicContact CG1-CD1 3.26Å; V64-L80 HydrophobicContact CG1-CG 4.18Å; V64-L80 HydrophobicContact CG2-CD1 3.88Å; V64-L80 HydrophobicContact CG2-CD2 4.22Å; V64-L80 HydrophobicContact CG2-CG 4.32Å; V64-L82 HydrophobicContact CG2-CD2 4.06Å |
| 65 | F | 85.7 | Confident | 80.7 | Confident | 73 Ų | 73 | 80.8 Ų | 80.8 | 32% | 0.32 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -67 | 155 | 178.1 | -86.4 | -115.4 | 0 | 0 | 0 | 111.4 | S17 K67 Q81 K83 | S17-F65 VanDerWaalsContact CB-O 3.3Å; S17-F65 WeakPolarHBondContact CB-O 3.45Å; S17-F65 PolarHBondContact OG-O 3.05Å; F65-K67 PolarHBondContact O-N 3.3Å; F65-Q81 HydrophobicContact CB-CB 4.02Å; F65-Q81 HydrophobicContact CB-CG 4.16Å; F65-Q81 WeakPolarHBondContact CB-O 2.99Å; F65-Q81 HydrophobicContact CD2-CG 4.34Å; F65-Q81 HydrophobicContact CG-CB 4.45Å; F65-Q81 HydrophobicContact CG-CG 4.06Å; F65-Q81 PolarHBondContact N-O 2.72Å; F65-K83 HydrophobicContact CE2-CB 4.09Å |
| 66 | P | 85.5 | Confident | 80.2 | Confident | 94 Ų | 94 | 82 Ų | 82 | 61% | 0.61 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -59 | -10.7 | -176 | -26.9 | 36.5 | 0 | 0 | 0 | 116.3 | T16 S17 | T16-P66 WeakPolarHBondContact O-CA 3.39Å; S17-P66 WeakPolarHBondContact CB-O 3.18Å |
| 67 | K | 84.9 | Confident | 80.2 | Confident | 131 Ų | 131 | 81.9 Ų | 81.9 | 57% | 0.57 | 40% | 0.4 | S | S | * | . | trans | -120.9 | 119 | -175 | -150 | 173 | -177.9 | -174.3 | 0 | 110.7 | F65 H69 | F65-K67 PolarHBondContact O-N 3.3Å; K67-H69 VanDerWaalsContact CD-NE2 3.32Å; K67-H69 WeakPolarHBondContact CD-NE2 3.46Å; K67-H69 VanDerWaalsContact CE-CE1 3.42Å; K67-H69 WeakPolarHBondContact CE-CE1 3.33Å; K67-H69 WeakPolarHBondContact CE-NE2 3.13Å; K67-H69 WeakPolarHBondContact CG-NE2 3.32Å | ||
| 68 | I | 91.3 | Very high | 80.3 | Confident | 10 Ų | 10 | 74.8 Ų | 74.8 | 5% | 0.051 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 134.4 | 169.5 | -60.4 | 164.4 | 0 | 0 | 0 | 106.7 | S17 L19 F30 L38 V64 V78 L80 | S17-I68 WeakPolarHBondContact OG-CD1 3.43Å; S17-I68 WeakPolarHBondContact OG-CG1 3.32Å; L19-I68 HydrophobicContact CB-CB 4.07Å; L19-I68 HydrophobicContact CB-CG2 4.32Å; L19-I68 HydrophobicContact CD2-CB 4.32Å; L19-I68 HydrophobicContact CD2-CG2 3.82Å; F30-I68 HydrophobicContact CB-CD1 4.47Å; L38-I68 HydrophobicContact CD1-CD1 3.65Å; V64-I68 HydrophobicContact CG1-CG1 4.47Å; I68-V78 HydrophobicContact CG2-CB 3.91Å; I68-V78 HydrophobicContact CG2-CG1 4.19Å; I68-L80 HydrophobicContact CD1-CD1 4.43Å; I68-L80 HydrophobicContact CG1-CD1 4.12Å |
| 69 | H | 88.8 | Confident | 80.9 | Confident | 90 Ų | 90 | 78 Ų | 78 | 42% | 0.417 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 128.4 | -179.6 | -74.6 | -88.4 | 0 | 0 | 0 | 110.5 | K67 V78 Y79 | K67-H69 VanDerWaalsContact CD-NE2 3.32Å; K67-H69 WeakPolarHBondContact CD-NE2 3.46Å; K67-H69 VanDerWaalsContact CE-CE1 3.42Å; K67-H69 WeakPolarHBondContact CE-CE1 3.33Å; K67-H69 WeakPolarHBondContact CE-NE2 3.13Å; K67-H69 WeakPolarHBondContact CG-NE2 3.32Å; H69-V78 CarbonylContact O-C 3.55Å; H69-V78 VanDerWaalsContact O-CA 3.28Å; H69-V78 WeakPolarHBondContact O-CA 3.45Å; H69-Y79 PolarHBondContact N-O 3.33Å; H69-Y79 VanDerWaalsContact N-O 3.12Å; H69-Y79 PolarHBondContact O-N 3.4Å |
| 70 | L | 86.9 | Confident | 81.8 | Confident | 38 Ų | 38 | 72.4 Ų | 72.4 | 20% | 0.199 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 140.1 | 167.8 | -165.1 | 65.9 | 0 | 0 | 0 | 109.2 | L19 Q72 Q75 V78 V91 | L19-L70 HydrophobicContact CD2-CB 4.12Å; L70-Q72 PolarHBondContact O-N 3.45Å; L70-Q75 HydrophobicContact CD2-CB 4Å; L70-Q75 HydrophobicContact CD2-CG 3.92Å; L70-Q75 HydrophobicContact CG-CB 4.29Å; L70-Q75 HydrophobicContact CG-CG 4.38Å; L70-V78 HydrophobicContact CD1-CG1 3.55Å; L70-V91 HydrophobicContact CD1-CG1 3.86Å |
| 71 | D | 82 | Confident | 82.5 | Confident | 16 Ų | 16 | 70.3 Ų | 70.3 | 9% | 0.086 | 34% | 0.336 | C | S | . | . | trans | -58.6 | 124.6 | 170.3 | -166.6 | -30.1 | 0 | 0 | 0 | 109.2 | V73 Q75 H77 Y79 | D71-V73 VanDerWaalsContact C-N 3.35Å; D71-V73 PolarHBondContact OD1-N 3.42Å; D71-Q75 VanDerWaalsContact O-CA 3.25Å; D71-Q75 WeakPolarHBondContact O-CA 2.95Å; D71-Q75 WeakPolarHBondContact O-CG 2.97Å; D71-Q75 PolarHBondContact O-N 3.37Å; D71-H77 HydrophobicContact CB-CB 4.15Å; D71-H77 VanDerWaalsContact CB-O 3.29Å; D71-H77 WeakPolarHBondContact CB-O 3.39Å; D71-H77 PolarHBondContact N-O 3.35Å; D71-Y79 HydrophobicContact CB-CE2 3.86Å; D71-Y79 PolarHBondContact OD2-OH 2.89Å | ||
| 72 | Q | 75.2 | Confident | 83.2 | Confident | 185 Ų | 185 | 63.5 Ų | 63.5 | 86% | 0.864 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -15 | -175.4 | -64.1 | -158.2 | -16.4 | 0 | 0 | 113.1 | L70 | L70-Q72 PolarHBondContact O-N 3.45Š|
| 73 | V | 66.2 | Low | 83.1 | Confident | 136 Ų | 136 | 67.2 Ų | 67.2 | 82% | 0.824 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -54.5 | -176.9 | -177.8 | 0 | 0 | 0 | 0 | 110.6 | D71 | D71-V73 VanDerWaalsContact C-N 3.35Å; D71-V73 PolarHBondContact OD1-N 3.42Å |
| 74 | D | 64.1 | Low | 82.8 | Confident | 58 Ų | 58 | 68.3 Ų | 68.3 | 31% | 0.31 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | -10.5 | -173 | 74.1 | 0.4 | 0 | 0 | 0 | 114 | N76 H77 | D74-N76 HydrophobicContact CB-CB 4.46Å; D74-N76 WeakPolarHBondContact CB-ND2 3.43Å; D74-N76 VanDerWaalsContact CG-ND2 3.26Å; D74-N76 PolarHBondContact O-N 3.14Å; D74-N76 PolarHBondContact O-OD1 3.24Å; D74-N76 WeakPolarHBondContact OD1-CB 3.49Å; D74-N76 PolarHBondContact OD1-N 3.47Å; D74-N76 WeakPolarHBondContact OD2-CB 3.23Å; D74-N76 PolarHBondContact OD2-ND2 2.88Å; D74-H77 IonicContact OD1-ND1 3.28Å; D74-H77 IonicContact OD2-ND1 2.61Å |
| 75 | Q | 72.6 | Confident | 82.7 | Confident | 71 Ų | 71 | 72.5 Ų | 72.5 | 33% | 0.332 | 36% | 0.355 | S | S | . | . | S | Bend | trans | 54.6 | 16.2 | -174.1 | -59.2 | -177.2 | -3.9 | 0 | 0 | 114.3 | L70 D71 | L70-Q75 HydrophobicContact CD2-CB 4Å; L70-Q75 HydrophobicContact CD2-CG 3.92Å; L70-Q75 HydrophobicContact CG-CB 4.29Å; L70-Q75 HydrophobicContact CG-CG 4.38Å; D71-Q75 VanDerWaalsContact O-CA 3.25Å; D71-Q75 WeakPolarHBondContact O-CA 2.95Å; D71-Q75 WeakPolarHBondContact O-CG 2.97Å; D71-Q75 PolarHBondContact O-N 3.37Å |
| 76 | N | 77.5 | Confident | 82.8 | Confident | 27 Ų | 27 | 74.2 Ų | 74.2 | 14% | 0.144 | 37% | 0.366 | C | S | . | . | trans | -91 | -9.7 | -178.4 | -61.1 | -36.5 | 0 | 0 | 0 | 112.7 | D74 A90 V91 Q122 | D74-N76 HydrophobicContact CB-CB 4.46Å; D74-N76 WeakPolarHBondContact CB-ND2 3.43Å; D74-N76 VanDerWaalsContact CG-ND2 3.26Å; D74-N76 PolarHBondContact O-N 3.14Å; D74-N76 PolarHBondContact O-OD1 3.24Å; D74-N76 WeakPolarHBondContact OD1-CB 3.49Å; D74-N76 PolarHBondContact OD1-N 3.47Å; D74-N76 WeakPolarHBondContact OD2-CB 3.23Å; D74-N76 PolarHBondContact OD2-ND2 2.88Å; N76-A90 CarbonylContact O-C 3.44Å; N76-A90 WeakPolarHBondContact O-CA 3.05Å; N76-V91 WeakPolarHBondContact O-CG2 3.35Å; N76-V91 PolarHBondContact O-N 3.26Å; N76-Q122 PolarHBondContact OD1-NE2 3.18Å | ||
| 77 | H | 88.4 | Confident | 83 | Confident | 38 Ų | 38 | 71.6 Ų | 71.6 | 18% | 0.176 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 151.3 | -179.6 | -59.7 | 81.7 | 0 | 0 | 0 | 111.6 | D71 D74 R88 V89 | D71-H77 HydrophobicContact CB-CB 4.15Å; D71-H77 VanDerWaalsContact CB-O 3.29Å; D71-H77 WeakPolarHBondContact CB-O 3.39Å; D71-H77 PolarHBondContact N-O 3.35Å; D74-H77 IonicContact OD1-ND1 3.28Å; D74-H77 IonicContact OD2-ND1 2.61Å; H77-R88 HydrophobicContact CB-CG 3.67Å; H77-V89 CarbonylContact C-O 3.48Å; H77-V89 VanDerWaalsContact CA-O 3.26Å; H77-V89 WeakPolarHBondContact CA-O 3.46Å |
| 78 | V | 91.2 | Very high | 83.3 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 134.4 | 165.5 | -75.6 | 0 | 0 | 0 | 0 | 109.5 | L19 F30 L38 I68 H69 L70 V89 V91 | L19-V78 HydrophobicContact CD2-CG1 3.89Å; F30-V78 HydrophobicContact CD1-CG1 4.44Å; F30-V78 HydrophobicContact CD1-CG2 4.45Å; F30-V78 HydrophobicContact CD2-CG1 4.15Å; F30-V78 HydrophobicContact CE2-CG1 4.21Å; F30-V78 HydrophobicContact CG-CG1 4.26Å; F30-V78 HydrophobicContact CZ-CG1 4.41Å; L38-V78 HydrophobicContact CD2-CG2 3.63Å; I68-V78 HydrophobicContact CG2-CB 3.91Å; I68-V78 HydrophobicContact CG2-CG1 4.19Å; H69-V78 CarbonylContact O-C 3.55Å; H69-V78 VanDerWaalsContact O-CA 3.28Å; H69-V78 WeakPolarHBondContact O-CA 3.45Å; L70-V78 HydrophobicContact CD1-CG1 3.55Å; V78-V89 HydrophobicContact CG2-CB 4.22Å; V78-V89 PolarHBondContact N-O 3.12Å; V78-V89 PolarHBondContact O-N 3.35Å; V78-V91 HydrophobicContact CG1-CG1 3.91Å; V78-V91 HydrophobicContact CG2-CG1 4.45Å |
| 79 | Y | 91.6 | Very high | 83.3 | Confident | 87 Ų | 87 | 72.3 Ų | 72.3 | 34% | 0.341 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 113.8 | 172.4 | -64.8 | -83.6 | 0 | 0 | 0 | 109.2 | H69 D71 I86 E87 R88 | H69-Y79 PolarHBondContact N-O 3.33Å; H69-Y79 VanDerWaalsContact N-O 3.12Å; H69-Y79 PolarHBondContact O-N 3.4Å; D71-Y79 HydrophobicContact CB-CE2 3.86Å; D71-Y79 PolarHBondContact OD2-OH 2.89Å; Y79-I86 HydrophobicContact CD1-CG2 4.17Å; Y79-E87 WeakPolarHBondContact CA-O 3.12Å; Y79-R88 HydrophobicContact CD1-CB 4.07Å; Y79-R88 HydrophobicContact CD1-CG 4.1Å; Y79-R88 HydrophobicContact CE1-CB 3.9Å; Y79-R88 HydrophobicContact CE1-CG 3.68Å |
| 80 | L | 90.3 | Very high | 83.3 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 114.4 | 179.2 | -173.7 | 72.9 | 0 | 0 | 0 | 109.2 | L38 Y56 V64 I68 L82 I86 E87 | L38-L80 HydrophobicContact CB-CD1 4.22Å; L38-L80 HydrophobicContact CB-CD2 4.11Å; L38-L80 HydrophobicContact CD1-CD1 3.97Å; L38-L80 HydrophobicContact CD2-CD1 4.31Å; L38-L80 HydrophobicContact CG-CD1 4.39Å; Y56-L80 HydrophobicContact CD1-CD2 3.49Å; Y56-L80 VanDerWaalsContact CD1-CD2 3.49Å; Y56-L80 HydrophobicContact CE1-CD2 3.93Å; Y56-L80 HydrophobicContact CG-CD2 4.23Å; V64-L80 HydrophobicContact CB-CD1 4.21Å; V64-L80 HydrophobicContact CG1-CD1 3.26Å; V64-L80 HydrophobicContact CG1-CG 4.18Å; V64-L80 HydrophobicContact CG2-CD1 3.88Å; V64-L80 HydrophobicContact CG2-CD2 4.22Å; V64-L80 HydrophobicContact CG2-CG 4.32Å; I68-L80 HydrophobicContact CD1-CD1 4.43Å; I68-L80 HydrophobicContact CG1-CD1 4.12Å; L80-L82 HydrophobicContact CD2-CD1 4.42Å; L80-L82 HydrophobicContact CD2-CG 4.44Å; L80-I86 CarbonylContact O-C 3.59Å; L80-I86 WeakPolarHBondContact O-CA 3.4Å; L80-E87 HydrophobicContact CB-CB 4.22Å; L80-E87 PolarHBondContact N-O 2.9Å; L80-E87 PolarHBondContact O-N 2.82Å |
| 81 | Q | 89 | Confident | 83.3 | Confident | 82 Ų | 82 | 68 Ų | 68 | 38% | 0.383 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 127.1 | 173.9 | -172.8 | 175.7 | 27 | 0 | 0 | 110.6 | F65 I86 | F65-Q81 HydrophobicContact CB-CB 4.02Å; F65-Q81 HydrophobicContact CB-CG 4.16Å; F65-Q81 WeakPolarHBondContact CB-O 2.99Å; F65-Q81 HydrophobicContact CD2-CG 4.34Å; F65-Q81 HydrophobicContact CG-CB 4.45Å; F65-Q81 HydrophobicContact CG-CG 4.06Å; F65-Q81 PolarHBondContact N-O 2.72Å; Q81-I86 HydrophobicContact CG-CG1 4.36Å |
| 82 | L | 85.1 | Confident | 83.4 | Confident | 3 Ų | 3 | 67.5 Ų | 67.5 | 2% | 0.016 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 168.3 | 172.9 | -63.3 | 157.6 | 0 | 0 | 0 | 108 | Y56 R62 V64 L80 N84 K85 E87 | Y56-L82 HydrophobicContact CE1-CD1 4.04Å; R62-L82 WeakPolarHBondContact O-CD2 3.25Å; V64-L82 HydrophobicContact CG2-CD2 4.06Å; L80-L82 HydrophobicContact CD2-CD1 4.42Å; L80-L82 HydrophobicContact CD2-CG 4.44Å; L82-N84 VanDerWaalsContact C-N 3.27Å; L82-N84 PolarHBondContact O-N 3.44Å; L82-K85 CarbonylContact C-O 3.47Å; L82-K85 WeakPolarHBondContact CA-O 3.33Å; L82-K85 HydrophobicContact CB-CB 4.4Å; L82-K85 WeakPolarHBondContact CB-O 2.92Å; L82-K85 PolarHBondContact N-O 3.47Å; L82-K85 PolarHBondContact O-N 3.45Å; L82-K85 VanDerWaalsContact O-O 3.04Å; L82-E87 HydrophobicContact CD1-CG 3.95Å |
| 83 | K | 77.8 | Confident | 83.9 | Confident | 158 Ų | 158 | 64.2 Ų | 64.2 | 69% | 0.687 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.2 | -43.6 | -170.6 | -165.2 | 177.8 | 177.3 | -179.4 | 0 | 115 | F65 | F65-K83 HydrophobicContact CE2-CB 4.09Š|
| 84 | N | 78.8 | Confident | 84.5 | Confident | 137 Ų | 137 | 58 Ų | 58 | 73% | 0.733 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.4 | 19.1 | -178.1 | -61 | -8.4 | 0 | 0 | 0 | 112.5 | L82 | L82-N84 VanDerWaalsContact C-N 3.27Å; L82-N84 PolarHBondContact O-N 3.44Å |
| 85 | K | 83.2 | Confident | 85.1 | Confident | 89 Ų | 89 | 59.2 Ų | 59.2 | 39% | 0.387 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 146.7 | -173.1 | -169.3 | 179.6 | -169.1 | -178 | 0 | 110.4 | L82 E87 | L82-K85 CarbonylContact C-O 3.47Å; L82-K85 WeakPolarHBondContact CA-O 3.33Å; L82-K85 HydrophobicContact CB-CB 4.4Å; L82-K85 WeakPolarHBondContact CB-O 2.92Å; L82-K85 PolarHBondContact N-O 3.47Å; L82-K85 PolarHBondContact O-N 3.45Å; L82-K85 VanDerWaalsContact O-O 3.04Å; K85-E87 HydrophobicContact CD-CG 3.94Å; K85-E87 WeakPolarHBondContact CE-OE1 2.98Å; K85-E87 HydrophobicContact CG-CG 4.24Å; K85-E87 IonicContact NZ-OE1 2.88Å; K85-E87 PolarHBondContact NZ-OE1 2.75Å; K85-E87 IonicContact NZ-OE2 2.76Å |
| 86 | I | 88.8 | Confident | 85.3 | Confident | 109 Ų | 109 | 60.2 Ų | 60.2 | 56% | 0.559 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 131 | 164.3 | -61.3 | 174.3 | 0 | 0 | 0 | 107.1 | Y79 L80 Q81 | Y79-I86 HydrophobicContact CD1-CG2 4.17Å; L80-I86 CarbonylContact O-C 3.59Å; L80-I86 WeakPolarHBondContact O-CA 3.4Å; Q81-I86 HydrophobicContact CG-CG1 4.36Å |
| 87 | E | 89.1 | Confident | 85.3 | Confident | 39 Ų | 39 | 61.2 Ų | 61.2 | 18% | 0.182 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 130.5 | 178.5 | -73.9 | -80.2 | -152.8 | 0 | 0 | 109.9 | Y56 Y79 L80 L82 K85 V89 | Y56-E87 HydrophobicContact CE1-CG 4.29Å; Y56-E87 HydrophobicContact CE2-CB 4.3Å; Y56-E87 HydrophobicContact CE2-CG 3.9Å; Y56-E87 WeakPolarHBondContact CE2-OE1 3.24Å; Y56-E87 WeakPolarHBondContact OH-CG 3.46Å; Y56-E87 PolarHBondContact OH-OE1 3.39Å; Y79-E87 WeakPolarHBondContact CA-O 3.12Å; L80-E87 HydrophobicContact CB-CB 4.22Å; L80-E87 PolarHBondContact N-O 2.9Å; L80-E87 PolarHBondContact O-N 2.82Å; L82-E87 HydrophobicContact CD1-CG 3.95Å; K85-E87 HydrophobicContact CD-CG 3.94Å; K85-E87 WeakPolarHBondContact CE-OE1 2.98Å; K85-E87 HydrophobicContact CG-CG 4.24Å; K85-E87 IonicContact NZ-OE1 2.88Å; K85-E87 PolarHBondContact NZ-OE1 2.75Å; K85-E87 IonicContact NZ-OE2 2.76Å; E87-V89 HydrophobicContact CB-CG2 4.17Å |
| 88 | R | 91.4 | Very high | 84.6 | Confident | 143 Ų | 143 | 67.9 Ų | 67.9 | 54% | 0.54 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 109.1 | 173.3 | -171.1 | 177.7 | 73.7 | 130.8 | 1.6 | 108.3 | H77 Y79 | H77-R88 HydrophobicContact CB-CG 3.67Å; Y79-R88 HydrophobicContact CD1-CB 4.07Å; Y79-R88 HydrophobicContact CD1-CG 4.1Å; Y79-R88 HydrophobicContact CE1-CB 3.9Å; Y79-R88 HydrophobicContact CE1-CG 3.68Å |
| 89 | V | 90.7 | Very high | 83.6 | Confident | 13 Ų | 13 | 71.7 Ų | 71.7 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 128.9 | -173.1 | -173.4 | 0 | 0 | 0 | 0 | 109.2 | L38 L55 Y56 H77 V78 E87 | L38-V89 HydrophobicContact CD2-CB 3.99Å; L38-V89 HydrophobicContact CD2-CG1 4.07Å; L38-V89 HydrophobicContact CD2-CG2 4.13Å; L55-V89 HydrophobicContact CB-CG1 3.82Å; L55-V89 WeakPolarHBondContact O-CG1 3.48Å; Y56-V89 HydrophobicContact CD2-CG2 3.96Å; Y56-V89 HydrophobicContact CG-CG2 3.98Å; H77-V89 CarbonylContact C-O 3.48Å; H77-V89 VanDerWaalsContact CA-O 3.26Å; H77-V89 WeakPolarHBondContact CA-O 3.46Å; V78-V89 HydrophobicContact CG2-CB 4.22Å; V78-V89 PolarHBondContact N-O 3.12Å; V78-V89 PolarHBondContact O-N 3.35Å; E87-V89 HydrophobicContact CB-CG2 4.17Å |
| 90 | A | 88.5 | Confident | 82.4 | Confident | 36 Ų | 36 | 69.9 Ų | 69.9 | 30% | 0.298 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 138.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | N76 S92 | N76-A90 CarbonylContact O-C 3.44Å; N76-A90 WeakPolarHBondContact O-CA 3.05Å; A90-S92 VanDerWaalsContact C-N 3.25Å; A90-S92 PolarHBondContact O-N 3.48Å |
| 91 | V | 87.7 | Confident | 81.1 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -73.7 | -15.8 | -177.4 | -63.2 | 0 | 0 | 0 | 0 | 113.6 | F30 K40 L70 N76 V78 L110 | F30-V91 HydrophobicContact CE1-CB 4.01Å; F30-V91 HydrophobicContact CE1-CG1 4.08Å; F30-V91 HydrophobicContact CZ-CB 3.79Å; F30-V91 HydrophobicContact CZ-CG1 3.73Å; K40-V91 VanDerWaalsContact CD-O 3.32Å; K40-V91 WeakPolarHBondContact CD-O 3.37Å; K40-V91 WeakPolarHBondContact CE-O 3.42Å; K40-V91 PolarHBondContact NZ-O 2.92Å; L70-V91 HydrophobicContact CD1-CG1 3.86Å; N76-V91 WeakPolarHBondContact O-CG2 3.35Å; N76-V91 PolarHBondContact O-N 3.26Å; V78-V91 HydrophobicContact CG1-CG1 3.91Å; V78-V91 HydrophobicContact CG2-CG1 4.45Å; V91-L110 HydrophobicContact CB-CD1 3.99Å; V91-L110 HydrophobicContact CG2-CD1 3.67Å |
| 92 | S | 85.1 | Confident | 79.9 | Confident | 7 Ų | 7 | 72.4 Ų | 72.4 | 5% | 0.049 | 35% | 0.353 | C | S | . | . | trans | -155.1 | 153.8 | 177.9 | 54.1 | 0 | 0 | 0 | 0 | 110.3 | A90 C94 D108 Q122 | A90-S92 VanDerWaalsContact C-N 3.25Å; A90-S92 PolarHBondContact O-N 3.48Å; S92-C94 PolarHBondContact OG-SG 2.74Å; S92-D108 VanDerWaalsContact CB-OD2 3.28Å; S92-D108 WeakPolarHBondContact CB-OD2 3.3Å; S92-Q122 WeakPolarHBondContact OG-CG 3.49Å; S92-Q122 PolarHBondContact OG-OE1 3.2Å | ||
| 93 | R | 84.8 | Confident | 79 | Confident | 115 Ų | 115 | 72.4 Ų | 72.4 | 43% | 0.434 | 35% | 0.353 | S | S | . | . | trans | -115.2 | 46.8 | 178.5 | -64.7 | 179.4 | -180 | 155.1 | -1.1 | 111.7 | L55 S95 T96 | L55-R93 PolarHBondContact O-NH2 3.27Å; R93-S95 PolarHBondContact O-N 3.05Å; R93-T96 HydrophobicContact CB-CG2 4.1Å; R93-T96 PolarHBondContact O-N 3.19Å; R93-T96 PolarHBondContact O-OG1 2.74Å | ||
| 94 | C | 79.9 | Confident | 78.4 | Confident | 5 Ų | 5 | 68.1 Ų | 68.1 | 3% | 0.034 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -54.1 | -31.1 | -172.1 | -49.9 | 0 | 0 | 0 | 0 | 114.4 | S92 T96 H97 C111 C120 | S92-C94 PolarHBondContact OG-SG 2.74Å; C94-T96 PolarHBondContact O-N 2.77Å; C94-T96 VanDerWaalsContact O-N 3.11Å; C94-H97 PolarHBondContact O-N 2.75Å; C94-C111 WeakPolarHBondContact CA-SG 3.19Å; C94-C111 HydrophobicContact CB-CB 3.73Å; C94-C111 WeakPolarHBondContact CB-SG 3.43Å; C94-C111 WeakPolarHBondContact SG-CA 3.32Å; C94-C111 WeakPolarHBondContact SG-CB 3.29Å; C94-C111 CovalentContact SG-SG 2.03Å; C94-C111 PolarHBondContact SG-SG 3.44Å; C94-C120 WeakPolarHBondContact O-CB 3.25Å; C94-C120 PolarHBondContact O-SG 3.02Å |
| 95 | S | 75.1 | Confident | 77.7 | Confident | 85 Ų | 85 | 63.2 Ų | 63.2 | 59% | 0.594 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -63.4 | -12.9 | 177.4 | 55.5 | 0 | 0 | 0 | 0 | 114.7 | R93 | R93-S95 PolarHBondContact O-N 3.05Š|
| 96 | T | 78.2 | Confident | 76.9 | Confident | 91 Ų | 91 | 60.7 Ų | 60.7 | 56% | 0.558 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -72.7 | -19.8 | 172.6 | 57.5 | 0 | 0 | 0 | 0 | 112.7 | R93 C94 | R93-T96 HydrophobicContact CB-CG2 4.1Å; R93-T96 PolarHBondContact O-N 3.19Å; R93-T96 PolarHBondContact O-OG1 2.74Å; C94-T96 PolarHBondContact O-N 2.77Å; C94-T96 VanDerWaalsContact O-N 3.11Å |
| 97 | H | 76.9 | Confident | 76 | Confident | 48 Ų | 48 | 59.5 Ų | 59.5 | 22% | 0.222 | 30% | 0.301 | C | S | . | . | trans | -94.7 | 110.9 | 178.5 | -53.3 | -69.4 | 0 | 0 | 0 | 109.6 | C94 A102 C103 A106 C120 | C94-H97 PolarHBondContact O-N 2.75Å; H97-A102 HydrophobicContact CB-CB 3.98Å; H97-A102 PolarHBondContact ND1-O 3.3Å; H97-C103 HydrophobicContact CB-CB 4.12Å; H97-A106 WeakPolarHBondContact NE2-CB 3.26Å; H97-C120 HydrophobicContact CB-CB 3.88Å; H97-C120 WeakPolarHBondContact O-CB 3.28Å | ||
| 98 | R | 73.2 | Confident | 75.5 | Confident | 178 Ų | 178 | 58.6 Ų | 58.6 | 67% | 0.672 | 30% | 0.298 | S | S | * | . | trans | -92.9 | -11.5 | -173 | -62.3 | -166.8 | -173.6 | -166.4 | 7.1 | 114.4 | W113 E789 | R98-W113 WeakPolarHBondContact O-CH2 3.45Å; R98-E789 IonicContact CZ-OE2 2.86Å; R98-E789 IonicContact NH1-OE2 3.6Å; R98-E789 PolarHBondContact NH1-OE2 2.79Å | ||
| 99 | D | 71.1 | Confident | 74.8 | Confident | 80 Ų | 80 | 52.9 Ų | 52.9 | 43% | 0.428 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -130.6 | 156.2 | 179.7 | 62.7 | 82.2 | 0 | 0 | 0 | 111 | R101 A102 C103 W113 | D99-R101 PolarHBondContact O-N 2.73Å; D99-R101 VanDerWaalsContact O-N 3.13Å; D99-R101 WeakPolarHBondContact OD1-CA 3.41Å; D99-R101 WeakPolarHBondContact OD1-CB 3.49Å; D99-R101 PolarHBondContact OD1-N 3.23Å; D99-R101 VanDerWaalsContact OD1-N 3.12Å; D99-A102 PolarHBondContact O-N 2.93Å; D99-A102 WeakPolarHBondContact OD1-CB 3.47Å; D99-A102 PolarHBondContact OD1-N 3.01Å; D99-A102 WeakPolarHBondContact OD2-CB 3.32Å; D99-C103 WeakPolarHBondContact O-CB 3.37Å; D99-C103 PolarHBondContact O-N 3.45Å; D99-W113 VanDerWaalsContact C-CH2 3.42Å; D99-W113 VanDerWaalsContact CA-CH2 3.42Å; D99-W113 VanDerWaalsContact CA-CZ3 3.5Å; D99-W113 WeakPolarHBondContact O-CZ3 3.15Å |
| 100 | V | 65.4 | Low | 74.2 | Confident | 50 Ų | 50 | 52.5 Ų | 52.5 | 30% | 0.303 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -49.9 | -41.7 | -179.1 | -174.6 | 0 | 0 | 0 | 0 | 110.4 | C103 L104 W113 | V100-C103 WeakPolarHBondContact O-CB 3.37Å; V100-C103 PolarHBondContact O-N 3.31Å; V100-L104 HydrophobicContact CG1-CD1 3.78Å; V100-L104 HydrophobicContact CG1-CG 4.29Å; V100-L104 VanDerWaalsContact O-CG 3.29Å; V100-L104 WeakPolarHBondContact O-CG 3.41Å; V100-L104 PolarHBondContact O-N 3.18Å; V100-W113 VanDerWaalsContact CA-CE3 3.45Å; V100-W113 HydrophobicContact CB-CD2 3.98Å; V100-W113 HydrophobicContact CB-CE3 4.39Å; V100-W113 HydrophobicContact CB-CG 4.19Å; V100-W113 HydrophobicContact CB-CZ2 4.43Å; V100-W113 HydrophobicContact CG1-CB 4.36Å; V100-W113 HydrophobicContact CG1-CD2 4.34Å; V100-W113 HydrophobicContact CG1-CG 4.03Å; V100-W113 HydrophobicContact CG2-CD2 3.65Å; V100-W113 HydrophobicContact CG2-CE3 4.37Å; V100-W113 HydrophobicContact CG2-CG 3.92Å; V100-W113 HydrophobicContact CG2-CH2 4.3Å; V100-W113 HydrophobicContact CG2-CZ2 3.54Å; V100-W113 VanDerWaalsContact CG2-NE1 3.31Å; V100-W113 VanDerWaalsContact N-CH2 3.32Å |
| 101 | R | 63 | Low | 73.8 | Confident | 107 Ų | 107 | 51.4 Ų | 51.4 | 40% | 0.404 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68.2 | -48.1 | -173.7 | -132.4 | 178.6 | -148.6 | 169.5 | 7.2 | 111.5 | D99 C103 L104 S105 I191 P236 | D99-R101 PolarHBondContact O-N 2.73Å; D99-R101 VanDerWaalsContact O-N 3.13Å; D99-R101 WeakPolarHBondContact OD1-CA 3.41Å; D99-R101 WeakPolarHBondContact OD1-CB 3.49Å; D99-R101 PolarHBondContact OD1-N 3.23Å; D99-R101 VanDerWaalsContact OD1-N 3.12Å; R101-C103 VanDerWaalsContact C-N 3.27Å; R101-C103 PolarHBondContact O-N 3.25Å; R101-L104 PolarHBondContact O-N 2.96Å; R101-S105 WeakPolarHBondContact O-CB 3.03Å; R101-S105 PolarHBondContact O-N 3.33Å; R101-S105 PolarHBondContact O-OG 3.01Å; R101-I191 HydrophobicContact CG-CD1 4.46Å; R101-P236 WeakPolarHBondContact CG-O 3.39Å |
| 102 | A | 63.6 | Low | 73.1 | Confident | 28 Ų | 28 | 53.3 Ų | 53.3 | 23% | 0.231 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.6 | -37.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | H97 D99 A106 | H97-A102 HydrophobicContact CB-CB 3.98Å; H97-A102 PolarHBondContact ND1-O 3.3Å; D99-A102 PolarHBondContact O-N 2.93Å; D99-A102 WeakPolarHBondContact OD1-CB 3.47Å; D99-A102 PolarHBondContact OD1-N 3.01Å; D99-A102 WeakPolarHBondContact OD2-CB 3.32Å; A102-A106 PolarHBondContact O-N 2.82Å; A102-A106 VanDerWaalsContact O-N 3.14Å |
| 103 | C | 67.8 | Low | 72.5 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.02 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.4 | -47.5 | 178.8 | -170 | 0 | 0 | 0 | 0 | 112.1 | H97 D99 V100 R101 A106 V112 W113 C120 | H97-C103 HydrophobicContact CB-CB 4.12Å; D99-C103 WeakPolarHBondContact O-CB 3.37Å; D99-C103 PolarHBondContact O-N 3.45Å; V100-C103 WeakPolarHBondContact O-CB 3.37Å; V100-C103 PolarHBondContact O-N 3.31Å; R101-C103 VanDerWaalsContact C-N 3.27Å; R101-C103 PolarHBondContact O-N 3.25Å; C103-A106 WeakPolarHBondContact O-CB 3.29Å; C103-V112 VanDerWaalsContact SG-C 3.53Å; C103-W113 HydrophobicContact CB-CE3 3.69Å; C103-W113 HydrophobicContact CB-CZ3 4.34Å; C103-C120 VanDerWaalsContact CA-SG 3.59Å; C103-C120 HydrophobicContact CB-CB 3.5Å; C103-C120 WeakPolarHBondContact CB-SG 3.16Å; C103-C120 WeakPolarHBondContact SG-CB 3.4Å; C103-C120 CovalentContact SG-SG 2.03Å; C103-C120 PolarHBondContact SG-SG 3.13Å |
| 104 | L | 64.8 | Low | 71.6 | Confident | 68 Ų | 68 | 50.1 Ų | 50.1 | 36% | 0.356 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -71.6 | -38 | 178.4 | -64.8 | 175.9 | 0 | 0 | 0 | 111.8 | V100 R101 A106 Q107 | V100-L104 HydrophobicContact CG1-CD1 3.78Å; V100-L104 HydrophobicContact CG1-CG 4.29Å; V100-L104 VanDerWaalsContact O-CG 3.29Å; V100-L104 WeakPolarHBondContact O-CG 3.41Å; V100-L104 PolarHBondContact O-N 3.18Å; R101-L104 PolarHBondContact O-N 2.96Å; L104-A106 PolarHBondContact O-N 3.26Å; L104-Q107 PolarHBondContact O-N 3.19Å |
| 105 | S | 64 | Low | 70.4 | Confident | 33 Ų | 33 | 55 Ų | 55 | 23% | 0.231 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.2 | -16.5 | 178.9 | -59.4 | 0 | 0 | 0 | 0 | 113.6 | R101 Q107 G238 | R101-S105 WeakPolarHBondContact O-CB 3.03Å; R101-S105 PolarHBondContact O-N 3.33Å; R101-S105 PolarHBondContact O-OG 3.01Å; S105-Q107 PolarHBondContact O-N 2.8Å; S105-G238 WeakPolarHBondContact OG-CA 3.27Å |
| 106 | A | 66.9 | Low | 69.4 | Low | 36 Ų | 36 | 56.3 Ų | 56.3 | 30% | 0.298 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -21.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | H97 A102 C103 L104 D108 | H97-A106 WeakPolarHBondContact NE2-CB 3.26Å; A102-A106 PolarHBondContact O-N 2.82Å; A102-A106 VanDerWaalsContact O-N 3.14Å; C103-A106 WeakPolarHBondContact O-CB 3.29Å; L104-A106 PolarHBondContact O-N 3.26Å; A106-D108 HydrophobicContact CB-CB 4.45Å; A106-D108 PolarHBondContact O-N 2.02Å |
| 107 | Q | 69.4 | Low | 68.4 | Low | 84 Ų | 84 | 56.6 Ų | 56.6 | 39% | 0.393 | 30% | 0.303 | S | S | . | . | trans | 50.3 | 28.7 | -177.3 | -61.7 | -176 | -11.7 | 0 | 0 | 112.9 | T50 L104 S105 P109 | T50-Q107 HydrophobicContact CG2-CB 4.28Å; L104-Q107 PolarHBondContact O-N 3.19Å; S105-Q107 PolarHBondContact O-N 2.8Å; Q107-P109 WeakPolarHBondContact O-CD 3.07Å | ||
| 108 | D | 78.6 | Confident | 67.8 | Low | 21 Ų | 21 | 59.8 Ų | 59.8 | 11% | 0.112 | 32% | 0.322 | C | S | . | . | trans | -92.1 | 113 | 177.2 | -172.8 | -14 | 0 | 0 | 0 | 108.7 | K40 S92 A106 L110 C111 | K40-D108 IonicContact NZ-OD1 2.71Å; K40-D108 PolarHBondContact NZ-OD1 2.78Å; K40-D108 IonicContact NZ-OD2 3Å; K40-D108 PolarHBondContact NZ-OD2 3.41Å; S92-D108 VanDerWaalsContact CB-OD2 3.28Å; S92-D108 WeakPolarHBondContact CB-OD2 3.3Å; A106-D108 HydrophobicContact CB-CB 4.45Å; A106-D108 PolarHBondContact O-N 2.02Å; D108-L110 PolarHBondContact O-N 3.1Å; D108-L110 WeakPolarHBondContact OD1-CB 3.42Å; D108-L110 PolarHBondContact OD1-N 3.47Å; D108-C111 HydrophobicContact CB-CB 4.11Å; D108-C111 PolarHBondContact O-N 3.44Å | ||
| 109 | P | 76.8 | Confident | 67.8 | Low | 23 Ų | 23 | 57.2 Ų | 57.2 | 15% | 0.149 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -7.2 | -178.9 | 29.7 | -37.3 | 0 | 0 | 0 | 113.5 | Q23 W26 V28 A42 Q107 | Q23-P109 HydrophobicContact CB-CB 4.47Å; Q23-P109 HydrophobicContact CG-CB 4.24Å; Q23-P109 WeakPolarHBondContact CG-O 3.38Å; W26-P109 HydrophobicContact CB-CB 3.75Å; W26-P109 HydrophobicContact CB-CG 3.88Å; W26-P109 HydrophobicContact CD2-CB 4.16Å; W26-P109 HydrophobicContact CD2-CG 4.4Å; W26-P109 HydrophobicContact CG-CB 3.62Å; W26-P109 HydrophobicContact CG-CG 4.07Å; V28-P109 HydrophobicContact CG2-CG 3.51Å; A42-P109 HydrophobicContact CB-CG 3.91Å; Q107-P109 WeakPolarHBondContact O-CD 3.07Å |
| 110 | L | 78.1 | Confident | 67.9 | Low | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -6.7 | 173.6 | -61 | 170.8 | 0 | 0 | 0 | 112.6 | M21 Q23 V91 D108 Q122 C123 | M21-L110 HydrophobicContact CE-CD2 3.97Å; M21-L110 HydrophobicContact SD-CD1 4.23Å; Q23-L110 HydrophobicContact CB-CD2 4.36Å; Q23-L110 HydrophobicContact CG-CD2 3.77Å; V91-L110 HydrophobicContact CB-CD1 3.99Å; V91-L110 HydrophobicContact CG2-CD1 3.67Å; D108-L110 PolarHBondContact O-N 3.1Å; D108-L110 WeakPolarHBondContact OD1-CB 3.42Å; D108-L110 PolarHBondContact OD1-N 3.47Å; L110-Q122 HydrophobicContact CB-CG 4.46Å; L110-Q122 CarbonylContact O-C 3.59Å; L110-Q122 WeakPolarHBondContact O-CA 3.34Å; L110-Q122 WeakPolarHBondContact O-CG 3.43Å; L110-C123 PolarHBondContact O-N 3.24Å |
| 111 | C | 80.1 | Confident | 68.4 | Low | 14 Ų | 14 | 56.6 Ų | 56.6 | 10% | 0.095 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 134.9 | 178.3 | -61.5 | 0 | 0 | 0 | 0 | 112.3 | C94 D108 R121 | C94-C111 WeakPolarHBondContact CA-SG 3.19Å; C94-C111 HydrophobicContact CB-CB 3.73Å; C94-C111 WeakPolarHBondContact CB-SG 3.43Å; C94-C111 WeakPolarHBondContact SG-CA 3.32Å; C94-C111 WeakPolarHBondContact SG-CB 3.29Å; C94-C111 CovalentContact SG-SG 2.03Å; C94-C111 PolarHBondContact SG-SG 3.44Å; D108-C111 HydrophobicContact CB-CB 4.11Å; D108-C111 PolarHBondContact O-N 3.44Å; C111-R121 CarbonylContact C-O 3.39Å; C111-R121 WeakPolarHBondContact CA-O 3.26Å |
| 112 | V | 73.2 | Confident | 68.9 | Low | 40 Ų | 40 | 53.4 Ų | 53.4 | 24% | 0.242 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 143 | -179.1 | 174.1 | 0 | 0 | 0 | 0 | 109.5 | C103 R121 C123 C150 | C103-V112 VanDerWaalsContact SG-C 3.53Å; V112-R121 PolarHBondContact N-O 3.17Å; V112-R121 PolarHBondContact O-N 3.42Å; V112-R121 VanDerWaalsContact O-O 3.05Å; V112-C123 HydrophobicContact CB-CB 4.46Å; V112-C123 HydrophobicContact CG2-CB 3.69Å; V112-C150 HydrophobicContact CG2-CB 4.14Å |
| 113 | W | 71.9 | Confident | 68.9 | Low | 23 Ų | 23 | 52.7 Ų | 52.7 | 9% | 0.087 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 122.5 | 173.5 | -172.3 | -99.8 | 0 | 0 | 0 | 111.1 | R98 D99 V100 C103 D118 R119 C120 | R98-W113 WeakPolarHBondContact O-CH2 3.45Å; D99-W113 VanDerWaalsContact C-CH2 3.42Å; D99-W113 VanDerWaalsContact CA-CH2 3.42Å; D99-W113 VanDerWaalsContact CA-CZ3 3.5Å; D99-W113 WeakPolarHBondContact O-CZ3 3.15Å; V100-W113 VanDerWaalsContact CA-CE3 3.45Å; V100-W113 HydrophobicContact CB-CD2 3.98Å; V100-W113 HydrophobicContact CB-CE3 4.39Å; V100-W113 HydrophobicContact CB-CG 4.19Å; V100-W113 HydrophobicContact CB-CZ2 4.43Å; V100-W113 HydrophobicContact CG1-CB 4.36Å; V100-W113 HydrophobicContact CG1-CD2 4.34Å; V100-W113 HydrophobicContact CG1-CG 4.03Å; V100-W113 HydrophobicContact CG2-CD2 3.65Å; V100-W113 HydrophobicContact CG2-CE3 4.37Å; V100-W113 HydrophobicContact CG2-CG 3.92Å; V100-W113 HydrophobicContact CG2-CH2 4.3Å; V100-W113 HydrophobicContact CG2-CZ2 3.54Å; V100-W113 VanDerWaalsContact CG2-NE1 3.31Å; V100-W113 VanDerWaalsContact N-CH2 3.32Å; C103-W113 HydrophobicContact CB-CE3 3.69Å; C103-W113 HydrophobicContact CB-CZ3 4.34Å; W113-D118 VanDerWaalsContact CH2-C 3.46Å; W113-D118 WeakPolarHBondContact CH2-O 3.47Å; W113-D118 HydrophobicContact CZ2-CB 4.45Å; W113-D118 VanDerWaalsContact CZ2-O 3.25Å; W113-D118 WeakPolarHBondContact CZ2-O 3.2Å; W113-D118 WeakPolarHBondContact CZ2-OD1 3.35Å; W113-R119 VanDerWaalsContact CE3-C 3.44Å; W113-R119 VanDerWaalsContact CZ3-C 3.43Å; W113-C120 HydrophobicContact CE3-CB 3.89Å; W113-C120 VanDerWaalsContact CE3-N 3.31Å; W113-C120 HydrophobicContact CZ3-CB 4.03Å |
| 114 | C | 65.9 | Low | 68.4 | Low | 32 Ų | 32 | 55 Ų | 55 | 22% | 0.216 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 104.2 | 175.4 | -170.5 | 0 | 0 | 0 | 0 | 109.4 | S116 E117 D118 R119 R121 | C114-S116 VanDerWaalsContact C-N 3.3Å; C114-S116 PolarHBondContact O-N 3.09Å; C114-S116 PolarHBondContact SG-OG 2.71Å; C114-E117 HydrophobicContact CB-CB 4.24Å; C114-E117 PolarHBondContact O-N 3.13Å; C114-D118 PolarHBondContact O-N 3.12Å; C114-R119 WeakPolarHBondContact CB-O 3.46Å; C114-R119 PolarHBondContact N-O 2.94Å; C114-R119 PolarHBondContact O-N 2.92Å; C114-R121 HydrophobicContact CB-CG 4.15Å |
| 115 | V | 55.1 | Low | 67.5 | Low | 107 Ų | 107 | 59 Ų | 59 | 65% | 0.648 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -35.6 | -177.4 | 179.6 | 0 | 0 | 0 | 0 | 112.1 | ||
| 116 | S | 53.4 | Low | 66.5 | Low | 112 Ų | 112 | 60.8 Ų | 60.8 | 78% | 0.783 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -26.7 | -179.8 | 53.3 | 0 | 0 | 0 | 0 | 113.9 | C114 | C114-S116 VanDerWaalsContact C-N 3.3Å; C114-S116 PolarHBondContact O-N 3.09Å; C114-S116 PolarHBondContact SG-OG 2.71Å |
| 117 | E | 56.3 | Low | 65.4 | Low | 98 Ų | 98 | 60.4 Ų | 60.4 | 46% | 0.458 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -4.9 | 179.5 | -69 | -174.9 | -159.8 | 0 | 0 | 113.3 | C114 R119 R121 | C114-E117 HydrophobicContact CB-CB 4.24Å; C114-E117 PolarHBondContact O-N 3.13Å; E117-R119 WeakPolarHBondContact O-CG 3.12Å; E117-R119 PolarHBondContact O-N 2.97Å; E117-R121 IonicContact OE2-CZ 2.64Å; E117-R121 VanDerWaalsContact OE2-CZ 3.28Å; E117-R121 IonicContact OE2-NE 2.69Å; E117-R121 PolarHBondContact OE2-NE 3.22Å; E117-R121 IonicContact OE2-NH2 3.18Å; E117-R121 PolarHBondContact OE2-NH2 3.17Å |
| 118 | D | 65.5 | Low | 64.3 | Low | 114 Ų | 114 | 58.9 Ų | 58.9 | 61% | 0.61 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 39.9 | -173.1 | -156.1 | 39.3 | 0 | 0 | 0 | 113.3 | W113 C114 | W113-D118 VanDerWaalsContact CH2-C 3.46Å; W113-D118 WeakPolarHBondContact CH2-O 3.47Å; W113-D118 HydrophobicContact CZ2-CB 4.45Å; W113-D118 VanDerWaalsContact CZ2-O 3.25Å; W113-D118 WeakPolarHBondContact CZ2-O 3.2Å; W113-D118 WeakPolarHBondContact CZ2-OD1 3.35Å; C114-D118 PolarHBondContact O-N 3.12Å |
| 119 | R | 73.4 | Confident | 62.4 | Low | 124 Ų | 124 | 62.6 Ų | 62.6 | 47% | 0.468 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 150.6 | -174.7 | -71 | 179.6 | 68.2 | -176.5 | 3.5 | 113.6 | W113 C114 E117 | W113-R119 VanDerWaalsContact CE3-C 3.44Å; W113-R119 VanDerWaalsContact CZ3-C 3.43Å; C114-R119 WeakPolarHBondContact CB-O 3.46Å; C114-R119 PolarHBondContact N-O 2.94Å; C114-R119 PolarHBondContact O-N 2.92Å; E117-R119 WeakPolarHBondContact O-CG 3.12Å; E117-R119 PolarHBondContact O-N 2.97Å |
| 120 | C | 73.8 | Confident | 60.8 | Low | 3 Ų | 3 | 70.7 Ų | 70.7 | 2% | 0.02 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 123.2 | 172.2 | -165 | 0 | 0 | 0 | 0 | 110.7 | C94 H97 C103 W113 | C94-C120 WeakPolarHBondContact O-CB 3.25Å; C94-C120 PolarHBondContact O-SG 3.02Å; H97-C120 HydrophobicContact CB-CB 3.88Å; H97-C120 WeakPolarHBondContact O-CB 3.28Å; C103-C120 VanDerWaalsContact CA-SG 3.59Å; C103-C120 HydrophobicContact CB-CB 3.5Å; C103-C120 WeakPolarHBondContact CB-SG 3.16Å; C103-C120 WeakPolarHBondContact SG-CB 3.4Å; C103-C120 CovalentContact SG-SG 2.03Å; C103-C120 PolarHBondContact SG-SG 3.13Å; W113-C120 HydrophobicContact CE3-CB 3.89Å; W113-C120 VanDerWaalsContact CE3-N 3.31Å; W113-C120 HydrophobicContact CZ3-CB 4.03Å |
| 121 | R | 74.9 | Confident | 58.7 | Low | 114 Ų | 114 | 75.7 Ų | 75.7 | 43% | 0.43 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 160.4 | -178 | -71.1 | -68.1 | -165.5 | 164.1 | 4.5 | 110.6 | C111 V112 C114 E117 | C111-R121 CarbonylContact C-O 3.39Å; C111-R121 WeakPolarHBondContact CA-O 3.26Å; V112-R121 PolarHBondContact N-O 3.17Å; V112-R121 PolarHBondContact O-N 3.42Å; V112-R121 VanDerWaalsContact O-O 3.05Å; C114-R121 HydrophobicContact CB-CG 4.15Å; E117-R121 IonicContact OE2-CZ 2.64Å; E117-R121 VanDerWaalsContact OE2-CZ 3.28Å; E117-R121 IonicContact OE2-NE 2.69Å; E117-R121 PolarHBondContact OE2-NE 3.22Å; E117-R121 IonicContact OE2-NH2 3.18Å; E117-R121 PolarHBondContact OE2-NH2 3.17Å |
| 122 | Q | 73.5 | Confident | 56.7 | Low | 41 Ų | 41 | 84.2 Ų | 84.2 | 19% | 0.192 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 134.5 | 169.7 | -171.7 | 170.3 | -12.9 | 0 | 0 | 109.2 | N76 S92 L110 I124 | N76-Q122 PolarHBondContact OD1-NE2 3.18Å; S92-Q122 WeakPolarHBondContact OG-CG 3.49Å; S92-Q122 PolarHBondContact OG-OE1 3.2Å; L110-Q122 HydrophobicContact CB-CG 4.46Å; L110-Q122 CarbonylContact O-C 3.59Å; L110-Q122 WeakPolarHBondContact O-CA 3.34Å; L110-Q122 WeakPolarHBondContact O-CG 3.43Å; Q122-I124 PolarHBondContact O-N 2Å; Q122-I124 VanDerWaalsContact O-N 3.1Å |
| 123 | C | 63.8 | Low | 55 | Low | 12 Ų | 12 | 87.1 Ų | 87.1 | 8% | 0.081 | 44% | 0.435 | C | S | . | . | trans | -66.3 | 105.7 | 172 | 179 | 0 | 0 | 0 | 0 | 108.6 | L110 V112 C150 | L110-C123 PolarHBondContact O-N 3.24Å; V112-C123 HydrophobicContact CB-CB 4.46Å; V112-C123 HydrophobicContact CG2-CB 3.69Å; C123-C150 WeakPolarHBondContact CA-SG 3.45Å; C123-C150 HydrophobicContact CB-CB 4.29Å; C123-C150 WeakPolarHBondContact CB-SG 3.46Å; C123-C150 WeakPolarHBondContact SG-CB 3.44Å; C123-C150 CovalentContact SG-SG 2.02Å; C123-C150 PolarHBondContact SG-SG 3.23Å | ||
| 124 | I | 56.3 | Low | 53.2 | Low | 53 Ų | 53 | 89.2 Ų | 89.2 | 27% | 0.272 | 45% | 0.454 | S | S | . | . | trans | -84.7 | 120.9 | 178.9 | -59.5 | 168.5 | 0 | 0 | 0 | 107.6 | Q122 S126 | Q122-I124 PolarHBondContact O-N 2Å; Q122-I124 VanDerWaalsContact O-N 3.1Å; I124-S126 PolarHBondContact O-N 3.45Å | ||
| 125 | R | 47.2 | Very low | 52 | Low | 151 Ų | 151 | 90.2 Ų | 90.2 | 57% | 0.57 | 46% | 0.46 | S | S | * | . | trans | -70.7 | 117.4 | 163.2 | -152 | 172.9 | -168.2 | 147.4 | 1.2 | 106 | G127 | R125-G127 PolarHBondContact O-N 2.99Å; R125-G127 VanDerWaalsContact O-N 3.09Å | ||
| 126 | S | 42.8 | Very low | 51.4 | Low | 70 Ų | 70 | 86.3 Ų | 86.3 | 49% | 0.49 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -36.6 | 113 | -166.6 | -51.6 | 0 | 0 | 0 | 0 | 113.8 | I124 | I124-S126 PolarHBondContact O-N 3.45Š|
| 127 | G | 43.9 | Very low | 51 | Low | 29 Ų | 29 | 89 Ų | 89 | 30% | 0.299 | 43% | 0.431 | S | S | . | . | trans | -143.2 | 162.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | R125 Q129 | R125-G127 PolarHBondContact O-N 2.99Å; R125-G127 VanDerWaalsContact O-N 3.09Å; G127-Q129 PolarHBondContact O-N 3.4Å | ||
| 128 | C | 45.1 | Very low | 50.4 | Low | 51 Ų | 51 | 86.1 Ų | 86.1 | 35% | 0.345 | 42% | 0.424 | S | S | . | . | trans | -71.1 | 126.2 | -172.8 | -161.8 | 0 | 0 | 0 | 0 | 111.3 | C135 | C128-C135 HydrophobicContact CB-CB 4.46Å; C128-C135 WeakPolarHBondContact CB-SG 3.28Å; C128-C135 WeakPolarHBondContact SG-CA 3.39Å; C128-C135 WeakPolarHBondContact SG-CB 3.46Å; C128-C135 PolarHBondContact SG-O 2.91Å; C128-C135 CovalentContact SG-SG 2Å; C128-C135 PolarHBondContact SG-SG 3.47Å | ||
| 129 | Q | 40.2 | Very low | 49.3 | Very low | 99 Ų | 99 | 84.8 Ų | 84.8 | 46% | 0.463 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 133.4 | 179 | -114.7 | -179.7 | -7 | 0 | 0 | 109.8 | G127 C135 S136 | G127-Q129 PolarHBondContact O-N 3.4Å; Q129-C135 WeakPolarHBondContact O-CA 3.35Å; Q129-S136 PolarHBondContact N-O 3.21Å; Q129-S136 PolarHBondContact O-N 3.35Å |
| 130 | W | 41.9 | Very low | 47.7 | Very low | 194 Ų | 194 | 86.3 Ų | 86.3 | 74% | 0.735 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 111.1 | 177.8 | -74.1 | 87.8 | 0 | 0 | 0 | 109.9 | C135 | W130-C135 HydrophobicContact CD2-CB 4.29Å; W130-C135 HydrophobicContact CE3-CB 4.44Å; W130-C135 HydrophobicContact CH2-CB 4.36Å; W130-C135 HydrophobicContact CZ2-CB 4.2Å; W130-C135 HydrophobicContact CZ3-CB 4.48Å |
| 131 | M | 35.2 | Very low | 46.1 | Very low | 109 Ų | 109 | 93.4 Ų | 93.4 | 54% | 0.537 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 130.1 | 166.5 | -84.9 | -169.9 | -80 | 0 | 0 | 108.4 | N133 S134 | M131-N133 VanDerWaalsContact C-N 3.32Å; M131-N133 PolarHBondContact O-N 3.2Å; M131-S134 PolarHBondContact N-O 3.14Å; M131-S134 VanDerWaalsContact N-O 3.08Å; M131-S134 PolarHBondContact O-N 2.8Å; M131-S134 PolarHBondContact O-OG 2.86Å |
| 132 | E | 37.7 | Very low | 44.3 | Very low | 192 Ų | 192 | 93.8 Ų | 93.8 | 90% | 0.897 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 27.8 | 63.5 | 170.1 | -66.1 | -174.3 | 168.5 | 0 | 0 | 114.2 | S134 | E132-S134 PolarHBondContact O-N 2.82Š|
| 133 | N | 37.9 | Very low | 42.5 | Very low | 102 Ų | 102 | 100.8 Ų | 100.8 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 18.9 | 176.6 | -72.3 | -18.7 | 0 | 0 | 0 | 118.5 | M131 H513 | M131-N133 VanDerWaalsContact C-N 3.32Å; M131-N133 PolarHBondContact O-N 3.2Å; N133-H513 PolarHBondContact ND2-CD2 3.37Å; N133-H513 VanDerWaalsContact ND2-CD2 3.27Å; N133-H513 PolarHBondContact ND2-CE1 3.5Å; N133-H513 PolarHBondContact ND2-NE2 3.47Å |
| 134 | S | 33.6 | Very low | 41 | Very low | 67 Ų | 67 | 106.5 Ų | 106.5 | 47% | 0.469 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 146.6 | 164.6 | 68.3 | 0 | 0 | 0 | 0 | 111.5 | M131 E132 | M131-S134 PolarHBondContact N-O 3.14Å; M131-S134 VanDerWaalsContact N-O 3.08Å; M131-S134 PolarHBondContact O-N 2.8Å; M131-S134 PolarHBondContact O-OG 2.86Å; E132-S134 PolarHBondContact O-N 2.82Å |
| 135 | C | 41.2 | Very low | 39.9 | Very low | 52 Ų | 52 | 109.8 Ų | 109.8 | 35% | 0.351 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.6 | 98.5 | 173.7 | -158.8 | 0 | 0 | 0 | 0 | 106.4 | C128 Q129 W130 | C128-C135 HydrophobicContact CB-CB 4.46Å; C128-C135 WeakPolarHBondContact CB-SG 3.28Å; C128-C135 WeakPolarHBondContact SG-CA 3.39Å; C128-C135 WeakPolarHBondContact SG-CB 3.46Å; C128-C135 PolarHBondContact SG-O 2.91Å; C128-C135 CovalentContact SG-SG 2Å; C128-C135 PolarHBondContact SG-SG 3.47Å; Q129-C135 WeakPolarHBondContact O-CA 3.35Å; W130-C135 HydrophobicContact CD2-CB 4.29Å; W130-C135 HydrophobicContact CE3-CB 4.44Å; W130-C135 HydrophobicContact CH2-CB 4.36Å; W130-C135 HydrophobicContact CZ2-CB 4.2Å; W130-C135 HydrophobicContact CZ3-CB 4.48Å |
| 136 | S | 41 | Very low | 39.7 | Very low | 26 Ų | 26 | 112.5 Ų | 112.5 | 18% | 0.182 | 59% | 0.592 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.2 | 136.2 | 176.4 | 51.8 | 0 | 0 | 0 | 0 | 109.7 | Q129 | Q129-S136 PolarHBondContact N-O 3.21Å; Q129-S136 PolarHBondContact O-N 3.35Å |
| 137 | W | 44.9 | Very low | 39.5 | Very low | 168 Ų | 168 | 117.2 Ų | 117.2 | 64% | 0.636 | 60% | 0.604 | S | S | * | * | trans | -64.8 | 135.9 | 166.9 | -75.4 | 92.7 | 0 | 0 | 0 | 107.4 | S139 E140 | W137-S139 WeakPolarHBondContact CB-OG 3.38Å; W137-S139 PolarHBondContact O-N 2.83Å; W137-E140 PolarHBondContact O-N 2.82Å; W137-E140 VanDerWaalsContact O-N 3.14Å | ||
| 138 | A | 45.6 | Very low | 39.5 | Very low | 38 Ų | 38 | 119.1 Ų | 119.1 | 31% | 0.314 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.7 | 2.5 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | V149 | A138-V149 HydrophobicContact CB-CG2 3.91Š|
| 139 | S | 41.2 | Very low | 39.5 | Very low | 85 Ų | 85 | 121.3 Ų | 121.3 | 59% | 0.594 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -6 | 174.6 | 54 | 0 | 0 | 0 | 0 | 115.4 | W137 L141 | W137-S139 WeakPolarHBondContact CB-OG 3.38Å; W137-S139 PolarHBondContact O-N 2.83Å; S139-L141 VanDerWaalsContact C-N 3.28Å; S139-L141 PolarHBondContact O-N 2.88Å |
| 140 | E | 39.2 | Very low | 39.8 | Very low | 156 Ų | 156 | 117 Ų | 117 | 73% | 0.729 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -82.7 | -0.5 | -179.2 | -85.5 | 178.1 | 165.1 | 0 | 0 | 114.9 | W137 | W137-E140 PolarHBondContact O-N 2.82Å; W137-E140 VanDerWaalsContact O-N 3.14Å |
| 141 | L | 40.9 | Very low | 39.9 | Very low | 153 Ų | 153 | 114.5 Ų | 114.5 | 80% | 0.801 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -112.8 | 66 | 165.2 | -75 | 164.1 | 0 | 0 | 0 | 109.8 | S139 | S139-L141 VanDerWaalsContact C-N 3.28Å; S139-L141 PolarHBondContact O-N 2.88Å |
| 142 | T | 36.4 | Very low | 40.2 | Very low | 122 Ų | 122 | 115.1 Ų | 115.1 | 75% | 0.748 | 60% | 0.601 | S | S | * | * | trans | 163 | 126.4 | 141.1 | 36 | 0 | 0 | 0 | 0 | 110 | N144 | T142-N144 PolarHBondContact O-N 2.96Š| ||
| 143 | H | 35.7 | Very low | 40.1 | Very low | 187 Ų | 187 | 111.6 Ų | 111.6 | 87% | 0.866 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -55.3 | 131.4 | 160.8 | -104.5 | -88.3 | 0 | 0 | 0 | 109.4 | ||
| 144 | N | 33.9 | Very low | 40.3 | Very low | 132 Ų | 132 | 114 Ų | 114 | 71% | 0.706 | 59% | 0.594 | S | S | * | * | S | Bend | trans | 84.6 | 113.3 | 165.4 | -65.1 | -17.8 | 0 | 0 | 0 | 119.1 | T142 | T142-N144 PolarHBondContact O-N 2.96Š|
| 145 | T | 33.3 | Very low | 40.5 | Very low | 123 Ų | 123 | 113.2 Ų | 113.2 | 76% | 0.755 | 59% | 0.591 | S | S | * | * | trans | 84.7 | 114.6 | 159.9 | 66.3 | 0 | 0 | 0 | 0 | 117.4 | K147 | T145-K147 VanDerWaalsContact C-N 3.29Å; T145-K147 PolarHBondContact O-N 3.41Å | ||
| 146 | Q | 42 | Very low | 40.4 | Very low | 207 Ų | 207 | 118.6 Ų | 118.6 | 97% | 0.967 | 61% | 0.612 | S | S | * | * | trans | -46.1 | 80.1 | 164.2 | -164.1 | 172.8 | 13.4 | 0 | 0 | 112.3 | ||||
| 147 | K | 39.3 | Very low | 40.3 | Very low | 170 Ų | 170 | 121.8 Ų | 121.8 | 74% | 0.739 | 63% | 0.625 | S | S | * | * | trans | -135.5 | 139.1 | 171.1 | -89.2 | -178.7 | 173.6 | 179.4 | 0 | 108.9 | T145 V149 | T145-K147 VanDerWaalsContact C-N 3.29Å; T145-K147 PolarHBondContact O-N 3.41Å; K147-V149 PolarHBondContact O-N 3.24Å | ||
| 148 | D | 42.4 | Very low | 40.2 | Very low | 69 Ų | 69 | 121.3 Ų | 121.3 | 37% | 0.369 | 64% | 0.635 | S | S | . | * | trans | -33 | 134 | 172.2 | -78.1 | -39 | 0 | 0 | 0 | 111.4 | C150 | D148-C150 HydrophobicContact CB-CB 4.19Å; D148-C150 CarbonylContact O-C 3.58Å; D148-C150 PolarHBondContact O-N 2.97Å | ||
| 149 | V | 45.9 | Very low | 40.7 | Very low | 97 Ų | 97 | 121.1 Ų | 121.1 | 59% | 0.588 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -55.7 | -13.4 | 169.3 | 179.9 | 0 | 0 | 0 | 0 | 111.4 | A138 K147 L151 | A138-V149 HydrophobicContact CB-CG2 3.91Å; K147-V149 PolarHBondContact O-N 3.24Å; V149-L151 VanDerWaalsContact C-N 3.34Å; V149-L151 PolarHBondContact O-N 3.2Å; V149-L151 VanDerWaalsContact O-N 3.17Å |
| 150 | C | 47 | Very low | 41.9 | Very low | 9 Ų | 9 | 120 Ų | 120 | 6% | 0.061 | 62% | 0.62 | C | S | . | * | trans | -83.9 | 74.9 | 169.1 | -43.7 | 0 | 0 | 0 | 0 | 110 | V112 C123 D148 E152 | V112-C150 HydrophobicContact CG2-CB 4.14Å; C123-C150 WeakPolarHBondContact CA-SG 3.45Å; C123-C150 HydrophobicContact CB-CB 4.29Å; C123-C150 WeakPolarHBondContact CB-SG 3.46Å; C123-C150 WeakPolarHBondContact SG-CB 3.44Å; C123-C150 CovalentContact SG-SG 2.02Å; C123-C150 PolarHBondContact SG-SG 3.23Å; D148-C150 HydrophobicContact CB-CB 4.19Å; D148-C150 CarbonylContact O-C 3.58Å; D148-C150 PolarHBondContact O-N 2.97Å; C150-E152 PolarHBondContact O-N 3.07Å | ||
| 151 | L | 43.5 | Very low | 43.6 | Very low | 141 Ų | 141 | 117.4 Ų | 117.4 | 74% | 0.738 | 62% | 0.615 | S | S | * | * | trans | -60.3 | 119.4 | 160.9 | -78.7 | 167.1 | 0 | 0 | 0 | 107.6 | V149 M153 | V149-L151 VanDerWaalsContact C-N 3.34Å; V149-L151 PolarHBondContact O-N 3.2Å; V149-L151 VanDerWaalsContact O-N 3.17Å; L151-M153 PolarHBondContact O-N 2.76Å | ||
| 152 | E | 41.2 | Very low | 45.5 | Very low | 122 Ų | 122 | 110.4 Ų | 110.4 | 57% | 0.57 | 58% | 0.579 | S | S | * | * | trans | -58.8 | 118.4 | 165 | -82.7 | 161.5 | -171.9 | 0 | 0 | 107.2 | K24 C150 E154 | K24-E152 IonicContact NZ-OE1 2.97Å; K24-E152 PolarHBondContact NZ-OE1 2.74Å; C150-E152 PolarHBondContact O-N 3.07Å; E152-E154 HydrophobicContact CB-CG 4.22Å; E152-E154 PolarHBondContact O-N 2.79Å | ||
| 153 | M | 36.2 | Very low | 47.8 | Very low | 118 Ų | 118 | 109 Ų | 109 | 58% | 0.581 | 57% | 0.567 | S | S | * | * | trans | -69.4 | 75.5 | 142 | -74.7 | -177.7 | 81.3 | 0 | 0 | 106.1 | L151 A155 | L151-M153 PolarHBondContact O-N 2.76Å; M153-A155 HydrophobicContact CB-CB 4.49Å; M153-A155 HydrophobicContact CE-CB 4.26Å; M153-A155 PolarHBondContact O-N 2.8Å | ||
| 154 | E | 41.8 | Very low | 50.3 | Low | 152 Ų | 152 | 101 Ų | 101 | 71% | 0.71 | 53% | 0.531 | S | S | * | . | trans | -69.8 | 65 | 138.2 | -78.6 | -175.9 | 168.6 | 0 | 0 | 105.3 | E152 E156 | E152-E154 HydrophobicContact CB-CG 4.22Å; E152-E154 PolarHBondContact O-N 2.79Å; E154-E156 PolarHBondContact O-N 3.08Å | ||
| 155 | A | 37.5 | Very low | 52.8 | Low | 50 Ų | 50 | 99.2 Ų | 99.2 | 41% | 0.413 | 53% | 0.525 | S | S | . | . | trans | -69 | 88.9 | 150.1 | 0 | 0 | 0 | 0 | 0 | 102.9 | M153 M157 | M153-A155 HydrophobicContact CB-CB 4.49Å; M153-A155 HydrophobicContact CE-CB 4.26Å; M153-A155 PolarHBondContact O-N 2.8Å; A155-M157 HydrophobicContact CB-CG 3.97Å; A155-M157 PolarHBondContact O-N 2.91Å | ||
| 156 | E | 38.3 | Very low | 55.5 | Low | 166 Ų | 166 | 95.7 Ų | 95.7 | 78% | 0.776 | 51% | 0.505 | S | S | * | . | trans | -57.6 | 72.5 | 142.2 | -74.1 | -172.3 | 160.8 | 0 | 0 | 105.8 | E154 N158 | E154-E156 PolarHBondContact O-N 3.08Å; E156-N158 PolarHBondContact O-N 3.35Å; E156-N158 VanDerWaalsContact O-N 3.12Å | ||
| 157 | M | 40.5 | Very low | 57.8 | Low | 93 Ų | 93 | 86.4 Ų | 86.4 | 46% | 0.458 | 46% | 0.462 | S | S | . | . | trans | -59.8 | 116 | 152.1 | -67.8 | -172.2 | -85.4 | 0 | 0 | 102.2 | A155 I159 P236 D237 | A155-M157 HydrophobicContact CB-CG 3.97Å; A155-M157 PolarHBondContact O-N 2.91Å; M157-I159 HydrophobicContact CB-CD1 3.54Å; M157-I159 HydrophobicContact CB-CG1 3.62Å; M157-I159 HydrophobicContact CE-CD1 3.91Å; M157-I159 HydrophobicContact CG-CD1 4.32Å; M157-I159 PolarHBondContact O-N 3.08Å; M157-I159 HydrophobicContact SD-CD1 3.92Å; M157-P236 HydrophobicContact CE-CB 4.3Å; M157-D237 HydrophobicContact CE-CB 4.24Å | ||
| 158 | N | 42.5 | Very low | 60.1 | Low | 158 Ų | 158 | 82.2 Ų | 82.2 | 85% | 0.845 | 45% | 0.451 | S | S | * | . | trans | -64.1 | 63.5 | 170 | -80.7 | -31.7 | 0 | 0 | 0 | 108.8 | E156 | E156-N158 PolarHBondContact O-N 3.35Å; E156-N158 VanDerWaalsContact O-N 3.12Å | ||
| 159 | I | 56 | Low | 62.3 | Low | 33 Ų | 33 | 81 Ų | 81 | 17% | 0.169 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -87 | 118.2 | 174.2 | -64.1 | 164 | 0 | 0 | 0 | 104.7 | M157 T161 D189 L235 P236 | M157-I159 HydrophobicContact CB-CD1 3.54Å; M157-I159 HydrophobicContact CB-CG1 3.62Å; M157-I159 HydrophobicContact CE-CD1 3.91Å; M157-I159 HydrophobicContact CG-CD1 4.32Å; M157-I159 PolarHBondContact O-N 3.08Å; M157-I159 HydrophobicContact SD-CD1 3.92Å; I159-T161 PolarHBondContact O-N 3.49Å; I159-D189 HydrophobicContact CG2-CB 4.05Å; I159-L235 HydrophobicContact CB-CD1 4.49Å; I159-L235 HydrophobicContact CG2-CD1 3.65Å; I159-L235 HydrophobicContact CG2-CD2 3.7Å; I159-L235 HydrophobicContact CG2-CG 4.26Å; I159-P236 HydrophobicContact CD1-CG 4.4Å |
| 160 | S | 66.4 | Low | 64.2 | Low | 63 Ų | 63 | 79.3 Ų | 79.3 | 44% | 0.441 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 125.4 | 176 | -57.5 | 0 | 0 | 0 | 0 | 107.9 | P162 | S160-P162 WeakPolarHBondContact O-CD 3.2Å; S160-P162 VanDerWaalsContact O-N 3.1Å |
| 161 | T | 73.8 | Confident | 66.2 | Low | 100 Ų | 100 | 81.2 Ų | 81.2 | 61% | 0.613 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 120.1 | -179 | 49.5 | 0 | 0 | 0 | 0 | 109.8 | I159 | I159-T161 PolarHBondContact O-N 3.49Š|
| 162 | P | 82.3 | Confident | 68.4 | Low | 7 Ų | 7 | 74.6 Ų | 74.6 | 5% | 0.045 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 137.2 | -176.7 | 27.9 | -34.1 | 0 | 0 | 0 | 110.1 | S160 N186 L187 V190 V233 L235 H241 | S160-P162 WeakPolarHBondContact O-CD 3.2Å; S160-P162 VanDerWaalsContact O-N 3.1Å; P162-N186 WeakPolarHBondContact CB-O 3.4Å; P162-L187 HydrophobicContact CB-CD2 3.91Å; P162-V190 HydrophobicContact CB-CG2 4.04Å; P162-V190 HydrophobicContact CG-CG2 4.29Å; P162-V233 HydrophobicContact CB-CG2 3.84Å; P162-V233 HydrophobicContact CG-CG2 3.58Å; P162-L235 HydrophobicContact CG-CD1 4.23Å; P162-L235 HydrophobicContact CG-CD2 3.98Å; P162-L235 HydrophobicContact CG-CG 4.11Å; P162-H241 HydrophobicContact CG-CB 3.68Å |
| 163 | D | 84.5 | Confident | 70.7 | Confident | 91 Ų | 91 | 68.9 Ų | 68.9 | 49% | 0.487 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 125.2 | 177 | -171.4 | 23 | 0 | 0 | 0 | 110.3 | G184 Q185 | D163-G184 CarbonylContact O-C 3.5Å; D163-G184 WeakPolarHBondContact O-CA 3.46Å; D163-Q185 PolarHBondContact N-O 3.1Å; D163-Q185 PolarHBondContact O-N 3.14Å |
| 164 | V | 86.9 | Confident | 73.2 | Confident | 19 Ų | 19 | 64.8 Ų | 64.8 | 12% | 0.115 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 111.2 | -176.2 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | L182 V233 A244 | V164-L182 HydrophobicContact CG1-CD1 4.13Å; V164-L182 HydrophobicContact CG1-CD2 4.04Å; V164-L182 HydrophobicContact CG1-CG 4.01Å; V164-L182 HydrophobicContact CG2-CD2 4.33Å; V164-V233 HydrophobicContact CG2-CB 4.48Å; V164-V233 HydrophobicContact CG2-CG1 3.81Å; V164-V233 HydrophobicContact CG2-CG2 3.9Å; V164-A244 HydrophobicContact CG1-CB 3.83Å |
| 165 | V | 87.7 | Confident | 75.3 | Confident | 96 Ų | 96 | 60.4 Ų | 60.4 | 58% | 0.582 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | -51.3 | -178.7 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | S183 | V165-S183 WeakPolarHBondContact CA-O 3.47Å; V165-S183 WeakPolarHBondContact CB-O 3.26Å; V165-S183 PolarHBondContact N-O 2.83Å |
| 166 | S | 89.1 | Confident | 77.7 | Confident | 48 Ų | 48 | 58.1 Ų | 58.1 | 34% | 0.336 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 157.7 | -179.2 | 78.8 | 0 | 0 | 0 | 0 | 114.2 | S183 | S166-S183 PolarHBondContact N-O 2.79Å; S166-S183 VanDerWaalsContact N-O 3.07Å; S166-S183 PolarHBondContact O-N 2.87Å; S166-S183 PolarHBondContact O-OG 3.41Å; S166-S183 PolarHBondContact OG-OG 2.92Å |
| 167 | I | 90.7 | Very high | 80 | Confident | 12 Ų | 12 | 53 Ų | 53 | 6% | 0.062 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 128.7 | 173.6 | -60.7 | 177.8 | 0 | 0 | 0 | 108.8 | S170 L181 L182 F218 V231 A244 V246 | I167-S170 PolarHBondContact O-N 2.61Å; I167-L181 CarbonylContact C-O 3.58Å; I167-L181 WeakPolarHBondContact CA-O 3.44Å; I167-L182 HydrophobicContact CD1-CD1 4.16Å; I167-L182 HydrophobicContact CG1-CD1 4.08Å; I167-L182 HydrophobicContact CG1-CG 4.11Å; I167-F218 HydrophobicContact CD1-CZ 4.43Å; I167-F218 HydrophobicContact CG2-CE1 4.19Å; I167-F218 HydrophobicContact CG2-CZ 3.96Å; I167-V231 HydrophobicContact CD1-CB 3.53Å; I167-V231 HydrophobicContact CD1-CG1 3.5Å; I167-V231 HydrophobicContact CD1-CG2 3.95Å; I167-A244 HydrophobicContact CD1-CB 3.39Å; I167-A244 HydrophobicContact CG1-CB 3.87Å; I167-V246 HydrophobicContact CD1-CG2 4.28Å; I167-V246 HydrophobicContact CG2-CG2 4.02Å |
| 168 | T | 87.9 | Confident | 82.2 | Confident | 82 Ų | 82 | 50.1 Ų | 50.1 | 50% | 0.503 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 122.6 | -179.1 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | L181 | T168-L181 PolarHBondContact N-O 3.05Å; T168-L181 PolarHBondContact O-N 3.02Å |
| 169 | P | 87.4 | Confident | 84.3 | Confident | 45 Ų | 45 | 48.6 Ų | 48.6 | 29% | 0.292 | 28% | 0.277 | S | S | . | . | S | Bend | cis | -76.6 | 144.6 | -7.2 | 32.6 | -34.4 | 0 | 0 | 0 | 112.1 | V171 V172 K177 | P169-V171 VanDerWaalsContact C-N 3.26Å; P169-V172 HydrophobicContact CG-CG1 4.09Å; P169-K177 HydrophobicContact CG-CG 4.05Å |
| 170 | S | 87.3 | Confident | 85.8 | Confident | 61 Ų | 61 | 47 Ų | 47 | 43% | 0.427 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -81.2 | -6.6 | 172.5 | 58.5 | 0 | 0 | 0 | 0 | 113.3 | I167 V246 T247 | I167-S170 PolarHBondContact O-N 2.61Å; S170-V246 CarbonylContact O-C 3.57Å; S170-V246 WeakPolarHBondContact O-CA 3.27Å; S170-T247 PolarHBondContact O-N 2.77Å |
| 171 | V | 88.9 | Confident | 87 | Confident | 49 Ų | 49 | 47.6 Ų | 47.6 | 30% | 0.297 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 124.9 | 177.9 | -173.8 | 0 | 0 | 0 | 0 | 109 | P169 T247 Q249 F279 | P169-V171 VanDerWaalsContact C-N 3.26Å; V171-T247 WeakPolarHBondContact CA-O 3.36Å; V171-Q249 VanDerWaalsContact CG1-CD 3.42Å; V171-Q249 HydrophobicContact CG1-CG 3.66Å; V171-F279 HydrophobicContact CG1-CE1 4.22Å; V171-F279 HydrophobicContact CG1-CZ 4.02Å |
| 172 | V | 89.3 | Confident | 87.9 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 163.1 | -175.4 | -62.3 | 0 | 0 | 0 | 0 | 111.1 | P169 K177 I220 V246 T247 Y248 Q249 | P169-V172 HydrophobicContact CG-CG1 4.09Å; V172-K177 HydrophobicContact CB-CB 4.38Å; V172-K177 HydrophobicContact CG1-CB 3.67Å; V172-K177 HydrophobicContact CG1-CG 4.5Å; V172-I220 HydrophobicContact CG1-CD1 3.75Å; V172-I220 HydrophobicContact CG1-CG2 4.47Å; V172-I220 HydrophobicContact CG2-CG2 4.02Å; V172-V246 HydrophobicContact CG1-CG1 4.39Å; V172-V246 HydrophobicContact CG2-CG1 3.74Å; V172-T247 PolarHBondContact N-O 3.23Å; V172-Y248 HydrophobicContact CG2-CD1 3.61Å; V172-Y248 HydrophobicContact CG2-CE1 3.73Å; V172-Y248 HydrophobicContact CG2-CG 4.12Å; V172-Y248 CarbonylContact O-C 3.47Å; V172-Y248 WeakPolarHBondContact O-CA 2.77Å; V172-Q249 PolarHBondContact O-N 2.79Å |
| 173 | S | 89.8 | Confident | 88.2 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.007 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 167.2 | 170.4 | 78.4 | 0 | 0 | 0 | 0 | 111.5 | Y175 G176 Y248 Q249 V322 | S173-Y175 PolarHBondContact O-N 2.74Å; S173-Y175 VanDerWaalsContact O-N 3.11Å; S173-Y175 PolarHBondContact OG-N 2.87Å; S173-G176 WeakPolarHBondContact O-CA 3.03Å; S173-G176 PolarHBondContact O-N 2.97Å; S173-Y248 VanDerWaalsContact O-CD1 3.27Å; S173-Y248 WeakPolarHBondContact O-CD1 3.38Å; S173-Q249 CarbonylContact C-O 3.56Å; S173-Q249 WeakPolarHBondContact CA-O 3.34Å; S173-V322 VanDerWaalsContact OG-CG1 3.25Å; S173-V322 WeakPolarHBondContact OG-CG1 3.23Å |
| 174 | L | 87.6 | Confident | 88.5 | Confident | 32 Ų | 32 | 40 Ų | 40 | 17% | 0.168 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -26.9 | 171.4 | -71 | 173.3 | 0 | 0 | 0 | 113.3 | G176 T222 T223 T225 Q249 L251 | L174-G176 PolarHBondContact O-N 2.83Å; L174-T222 CarbonylContact O-C 3.56Å; L174-T222 VanDerWaalsContact O-CA 3.32Å; L174-T222 WeakPolarHBondContact O-CA 3.44Å; L174-T222 WeakPolarHBondContact O-CG2 3.34Å; L174-T223 WeakPolarHBondContact CB-O 3.3Å; L174-T223 HydrophobicContact CD2-CG2 3.72Å; L174-T223 PolarHBondContact O-N 2.64Å; L174-T225 WeakPolarHBondContact CD2-O 3.22Å; L174-Q249 WeakPolarHBondContact CG-O 3.44Å; L174-Q249 PolarHBondContact N-O 3.01Å; L174-L251 HydrophobicContact CB-CD2 3.77Å; L174-L251 HydrophobicContact CB-CG 4.18Å; L174-L251 HydrophobicContact CD1-CG 4.39Å |
| 175 | Y | 87.8 | Confident | 88.5 | Confident | 61 Ų | 61 | 44.9 Ų | 44.9 | 24% | 0.239 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 2.8 | 172.9 | -67.7 | -36.6 | 0 | 0 | 0 | 114.9 | S173 T222 L251 V322 A323 Q325 V327 | S173-Y175 PolarHBondContact O-N 2.74Å; S173-Y175 VanDerWaalsContact O-N 3.11Å; S173-Y175 PolarHBondContact OG-N 2.87Å; Y175-T222 HydrophobicContact CD1-CG2 3.8Å; Y175-T222 PolarHBondContact O-OG1 2.82Å; Y175-L251 HydrophobicContact CD1-CD2 4Å; Y175-L251 HydrophobicContact CD2-CD1 4.46Å; Y175-L251 HydrophobicContact CD2-CD2 3.28Å; Y175-L251 HydrophobicContact CD2-CG 4.46Å; Y175-L251 HydrophobicContact CE1-CD1 4.24Å; Y175-L251 HydrophobicContact CE1-CD2 4.16Å; Y175-L251 HydrophobicContact CE2-CD1 3.77Å; Y175-L251 HydrophobicContact CE2-CD2 3.46Å; Y175-L251 VanDerWaalsContact CE2-CD2 3.46Å; Y175-L251 HydrophobicContact CE2-CG 4.21Å; Y175-L251 HydrophobicContact CG-CD2 3.56Å; Y175-V322 HydrophobicContact CD2-CB 4.18Å; Y175-V322 HydrophobicContact CD2-CG1 4.27Å; Y175-A323 WeakPolarHBondContact O-CB 3.41Å; Y175-Q325 HydrophobicContact CD1-CB 4.11Å; Y175-Q325 HydrophobicContact CD1-CG 3.68Å; Y175-Q325 HydrophobicContact CD2-CB 3.58Å; Y175-Q325 HydrophobicContact CD2-CG 4.1Å; Y175-Q325 HydrophobicContact CE1-CB 4.22Å; Y175-Q325 HydrophobicContact CE1-CG 3.88Å; Y175-Q325 HydrophobicContact CE2-CB 3.7Å; Y175-Q325 HydrophobicContact CE2-CG 4.28Å; Y175-Q325 HydrophobicContact CG-CB 3.81Å; Y175-Q325 HydrophobicContact CG-CG 3.82Å; Y175-V327 HydrophobicContact CD2-CG2 4.43Å; Y175-V327 HydrophobicContact CE2-CG2 3.71Å |
| 176 | G | 87.5 | Confident | 88.4 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | 76.1 | -152.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | S173 L174 I220 | S173-G176 WeakPolarHBondContact O-CA 3.03Å; S173-G176 PolarHBondContact O-N 2.97Å; L174-G176 PolarHBondContact O-N 2.83Å; G176-I220 CarbonylContact C-O 3.49Å; G176-I220 VanDerWaalsContact CA-O 3.26Å; G176-I220 WeakPolarHBondContact CA-O 3.37Å |
| 177 | K | 86.8 | Confident | 88.3 | Confident | 57 Ų | 57 | 41.6 Ų | 41.6 | 25% | 0.248 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 134.4 | -176.8 | -176.6 | 64.8 | 176.8 | -174 | 0 | 111.4 | P169 V172 I220 D281 | P169-K177 HydrophobicContact CG-CG 4.05Å; V172-K177 HydrophobicContact CB-CB 4.38Å; V172-K177 HydrophobicContact CG1-CB 3.67Å; V172-K177 HydrophobicContact CG1-CG 4.5Å; K177-I220 HydrophobicContact CB-CB 4.3Å; K177-I220 HydrophobicContact CB-CD1 4.38Å; K177-I220 PolarHBondContact N-O 3.39Å; K177-I220 PolarHBondContact O-N 2.64Å; K177-D281 IonicContact NZ-OD1 2.69Å; K177-D281 PolarHBondContact NZ-OD1 3.31Å |
| 178 | N | 85.7 | Confident | 87.9 | Confident | 34 Ų | 34 | 44.6 Ų | 44.6 | 18% | 0.182 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 144.4 | 173.2 | -66.1 | -16.7 | 0 | 0 | 0 | 111.5 | A180 H219 N324 | N178-A180 PolarHBondContact O-N 3.2Å; N178-H219 WeakPolarHBondContact CA-ND1 3.2Å; N178-N324 PolarHBondContact ND2-OD1 3.02Å |
| 179 | H | 86.4 | Confident | 87.6 | Confident | 125 Ų | 125 | 44.3 Ų | 44.3 | 58% | 0.579 | 24% | 0.242 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 53.3 | 45.7 | 177.5 | -48.3 | -72.4 | 0 | 0 | 0 | 114 | F218 H219 | H179-F218 CarbonylContact C-O 3.46Å; H179-F218 WeakPolarHBondContact CA-O 3.45Å; H179-F218 PolarHBondContact N-O 3.13Å; H179-H219 AromaticContact CE1-CE1 3.58Å; H179-H219 PolarHBondContact N-ND1 3.06Å; H179-H219 VanDerWaalsContact N-ND1 3.15Å; H179-H219 AromaticContact ND1-CE1 3.71Å; H179-H219 AromaticContact NE2-CE1 3.82Å |
| 180 | A | 88.2 | Confident | 87.4 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 140.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | N178 T217 F218 I220 | N178-A180 PolarHBondContact O-N 3.2Å; A180-T217 CarbonylContact O-C 3.59Å; A180-T217 VanDerWaalsContact O-CA 3.26Å; A180-T217 WeakPolarHBondContact O-CA 2.96Å; A180-F218 HydrophobicContact CB-CD1 4.32Å; A180-F218 HydrophobicContact CB-CE1 3.93Å; A180-F218 HydrophobicContact CB-CZ 4.11Å; A180-F218 PolarHBondContact N-O 3.33Å; A180-F218 WeakPolarHBondContact O-CD1 3.4Å; A180-F218 PolarHBondContact O-N 2.84Å; A180-I220 HydrophobicContact CB-CD1 3.49Å; A180-I220 VanDerWaalsContact CB-CD1 3.49Å; A180-I220 HydrophobicContact CB-CG1 3.71Å |
| 181 | L | 91.4 | Very high | 87.1 | Confident | 74 Ų | 74 | 42 Ų | 42 | 39% | 0.387 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 123.8 | -177.9 | -176.9 | 68.6 | 0 | 0 | 0 | 109.8 | I167 T168 T217 | I167-L181 CarbonylContact C-O 3.58Å; I167-L181 WeakPolarHBondContact CA-O 3.44Å; T168-L181 PolarHBondContact N-O 3.05Å; T168-L181 PolarHBondContact O-N 3.02Å; L181-T217 HydrophobicContact CD1-CG2 3.98Å |
| 182 | L | 91.9 | Very high | 87 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 128.7 | 168.9 | -170.4 | 151 | 0 | 0 | 0 | 108.3 | V164 I167 L187 V193 S215 L216 F218 V233 | V164-L182 HydrophobicContact CG1-CD1 4.13Å; V164-L182 HydrophobicContact CG1-CD2 4.04Å; V164-L182 HydrophobicContact CG1-CG 4.01Å; V164-L182 HydrophobicContact CG2-CD2 4.33Å; I167-L182 HydrophobicContact CD1-CD1 4.16Å; I167-L182 HydrophobicContact CG1-CD1 4.08Å; I167-L182 HydrophobicContact CG1-CG 4.11Å; L182-L187 HydrophobicContact CD2-CD1 3.62Å; L182-L187 HydrophobicContact CD2-CD2 4.25Å; L182-V193 HydrophobicContact CD1-CG1 4.39Å; L182-V193 HydrophobicContact CD1-CG2 4.27Å; L182-S215 CarbonylContact O-C 3.49Å; L182-S215 VanDerWaalsContact O-CA 3.23Å; L182-S215 WeakPolarHBondContact O-CA 3.47Å; L182-L216 HydrophobicContact CB-CD1 3.69Å; L182-L216 HydrophobicContact CB-CG 4.05Å; L182-L216 HydrophobicContact CD2-CD1 4.46Å; L182-L216 HydrophobicContact CD2-CD2 4.34Å; L182-L216 HydrophobicContact CD2-CG 4.16Å; L182-L216 HydrophobicContact CG-CD1 4.45Å; L182-L216 PolarHBondContact N-O 2.96Å; L182-L216 PolarHBondContact O-N 3.12Å; L182-F218 HydrophobicContact CB-CD1 4.1Å; L182-F218 HydrophobicContact CB-CE1 3.8Å; L182-F218 HydrophobicContact CD1-CE1 4.27Å; L182-V233 HydrophobicContact CD1-CG1 3.72Å; L182-V233 HydrophobicContact CD2-CG1 3.99Å |
| 183 | S | 90.5 | Very high | 87 | Confident | 30 Ų | 30 | 39.9 Ų | 39.9 | 21% | 0.21 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 144.3 | 178.5 | 56.8 | 0 | 0 | 0 | 0 | 110.1 | V165 S166 | V165-S183 WeakPolarHBondContact CA-O 3.47Å; V165-S183 WeakPolarHBondContact CB-O 3.26Å; V165-S183 PolarHBondContact N-O 2.83Å; S166-S183 PolarHBondContact N-O 2.79Å; S166-S183 VanDerWaalsContact N-O 3.07Å; S166-S183 PolarHBondContact O-N 2.87Å; S166-S183 PolarHBondContact O-OG 3.41Å; S166-S183 PolarHBondContact OG-OG 2.92Å |
| 184 | G | 89.3 | Confident | 86.8 | Confident | 10 Ų | 10 | 41.1 Ų | 41.1 | 10% | 0.103 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.8 | -165.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D163 V214 | D163-G184 CarbonylContact O-C 3.5Å; D163-G184 WeakPolarHBondContact O-CA 3.46Å; G184-V214 PolarHBondContact N-O 3.13Å; G184-V214 CarbonylContact O-C 3.59Å; G184-V214 WeakPolarHBondContact O-CA 3.43Å |
| 185 | Q | 87.2 | Confident | 86.7 | Confident | 120 Ų | 120 | 39.9 Ų | 39.9 | 56% | 0.561 | 21% | 0.208 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 152.8 | 173.8 | -61.1 | -176.5 | 19.6 | 0 | 0 | 109.7 | D163 L187 | D163-Q185 PolarHBondContact N-O 3.1Å; D163-Q185 PolarHBondContact O-N 3.14Å; Q185-L187 PolarHBondContact O-N 3.41Å |
| 186 | N | 86.5 | Confident | 86.2 | Confident | 75 Ų | 75 | 38 Ų | 38 | 40% | 0.401 | 20% | 0.204 | S | C | . | . | S | Bend | trans | 54.8 | 35.9 | 179.5 | -58.4 | -28 | 0 | 0 | 0 | 113.5 | P162 S188 | P162-N186 WeakPolarHBondContact CB-O 3.4Å; N186-S188 VanDerWaalsContact C-N 3.26Å; N186-S188 PolarHBondContact O-N 2.98Å |
| 187 | L | 87.3 | Confident | 85 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -83.4 | -1.4 | -178.3 | -56.3 | -177.2 | 0 | 0 | 0 | 113.2 | P162 L182 Q185 D189 V190 N211 G213 L216 | P162-L187 HydrophobicContact CB-CD2 3.91Å; L182-L187 HydrophobicContact CD2-CD1 3.62Å; L182-L187 HydrophobicContact CD2-CD2 4.25Å; Q185-L187 PolarHBondContact O-N 3.41Å; L187-D189 PolarHBondContact O-N 3.23Å; L187-V190 HydrophobicContact CB-CG2 4.22Å; L187-V190 HydrophobicContact CD2-CG2 4.1Å; L187-V190 VanDerWaalsContact O-CB 3.28Å; L187-V190 WeakPolarHBondContact O-CB 3.49Å; L187-V190 WeakPolarHBondContact O-CG2 3.44Å; L187-V190 PolarHBondContact O-N 3.12Å; L187-N211 PolarHBondContact O-ND2 3.12Å; L187-N211 PolarHBondContact O-OD1 3.33Å; L187-G213 WeakPolarHBondContact CB-O 3.32Å; L187-G213 PolarHBondContact N-O 2.91Å; L187-L216 HydrophobicContact CB-CD2 4.31Å; L187-L216 HydrophobicContact CD1-CD2 4.25Å; L187-L216 HydrophobicContact CD1-CG 4.44Å | ||
| 188 | S | 82.1 | Confident | 83.2 | Confident | 76 Ų | 76 | 44.7 Ų | 44.7 | 53% | 0.531 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -39.9 | -171.5 | -40.3 | 0 | 0 | 0 | 0 | 112.8 | N186 N211 | N186-S188 VanDerWaalsContact C-N 3.26Å; N186-S188 PolarHBondContact O-N 2.98Å; S188-N211 PolarHBondContact O-ND2 3.27Å |
| 189 | D | 80.3 | Confident | 81.5 | Confident | 75 Ų | 75 | 51.1 Ų | 51.1 | 40% | 0.401 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 2.5 | -175.3 | -55.3 | -48 | 0 | 0 | 0 | 112.8 | I159 L187 I191 L235 P236 | I159-D189 HydrophobicContact CG2-CB 4.05Å; L187-D189 PolarHBondContact O-N 3.23Å; D189-I191 WeakPolarHBondContact O-CG2 3.33Å; D189-I191 PolarHBondContact O-N 3.47Å; D189-L235 HydrophobicContact CB-CD2 4.27Å; D189-P236 WeakPolarHBondContact O-CD 3.27Å |
| 190 | V | 84 | Confident | 79.8 | Confident | 6 Ų | 6 | 47.5 Ų | 47.5 | 4% | 0.036 | 25% | 0.254 | C | S | . | . | trans | -71.5 | 129.5 | 178.9 | 176.8 | 0 | 0 | 0 | 0 | 110.4 | P162 L187 G192 V208 N211 L216 V233 L234 L235 | P162-V190 HydrophobicContact CB-CG2 4.04Å; P162-V190 HydrophobicContact CG-CG2 4.29Å; L187-V190 HydrophobicContact CB-CG2 4.22Å; L187-V190 HydrophobicContact CD2-CG2 4.1Å; L187-V190 VanDerWaalsContact O-CB 3.28Å; L187-V190 WeakPolarHBondContact O-CB 3.49Å; L187-V190 WeakPolarHBondContact O-CG2 3.44Å; L187-V190 PolarHBondContact O-N 3.12Å; V190-G192 WeakPolarHBondContact CG1-O 3.35Å; V190-V208 HydrophobicContact CG1-CG2 4.08Å; V190-N211 PolarHBondContact O-ND2 3.3Å; V190-L216 HydrophobicContact CB-CD2 3.95Å; V190-L216 HydrophobicContact CG1-CD2 3.67Å; V190-V233 HydrophobicContact CB-CB 4.47Å; V190-V233 HydrophobicContact CG1-CB 3.63Å; V190-V233 HydrophobicContact CG1-CG1 3.96Å; V190-V233 HydrophobicContact CG2-CB 3.9Å; V190-V233 HydrophobicContact CG2-CG1 4.42Å; V190-V233 HydrophobicContact CG2-CG2 4.01Å; V190-L234 WeakPolarHBondContact CA-O 3.14Å; V190-L235 HydrophobicContact CG2-CD2 4.26Å | ||
| 191 | I | 81.6 | Confident | 78.1 | Confident | 52 Ų | 52 | 50.7 Ų | 50.7 | 27% | 0.267 | 28% | 0.275 | S | S | . | . | trans | -110.3 | -20.4 | -171.4 | 58.1 | 158.2 | 0 | 0 | 0 | 113.1 | R101 D189 L234 L235 P236 | R101-I191 HydrophobicContact CG-CD1 4.46Å; D189-I191 WeakPolarHBondContact O-CG2 3.33Å; D189-I191 PolarHBondContact O-N 3.47Å; I191-L234 HydrophobicContact CG1-CB 4.09Å; I191-L234 WeakPolarHBondContact CG1-O 3.38Å; I191-L234 PolarHBondContact N-O 3.44Å; I191-L235 WeakPolarHBondContact CD1-O 3.5Å; I191-P236 HydrophobicContact CG2-CG 4.08Å | ||
| 192 | G | 86.3 | Confident | 76.2 | Confident | 6 Ų | 6 | 51.8 Ų | 51.8 | 6% | 0.062 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 162.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | V190 S206 L234 | V190-G192 WeakPolarHBondContact CG1-O 3.35Å; G192-S206 CarbonylContact C-O 3.56Å; G192-S206 WeakPolarHBondContact CA-O 3.18Å; G192-L234 PolarHBondContact O-N 3.36Å |
| 193 | V | 88.4 | Confident | 75.1 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 121.9 | 172.8 | -178.9 | 0 | 0 | 0 | 0 | 108 | L182 I195 S206 V208 L216 F218 V231 | L182-V193 HydrophobicContact CD1-CG1 4.39Å; L182-V193 HydrophobicContact CD1-CG2 4.27Å; V193-I195 HydrophobicContact CG1-CG1 4.33Å; V193-S206 PolarHBondContact N-O 3.41Å; V193-S206 PolarHBondContact O-N 2.93Å; V193-V208 HydrophobicContact CG2-CG2 4.14Å; V193-L216 HydrophobicContact CG2-CD1 3.89Å; V193-F218 HydrophobicContact CB-CB 4.39Å; V193-F218 HydrophobicContact CB-CD2 3.8Å; V193-F218 HydrophobicContact CB-CE2 4.23Å; V193-F218 HydrophobicContact CB-CG 4.04Å; V193-F218 HydrophobicContact CG1-CD2 3.8Å; V193-F218 HydrophobicContact CG1-CE2 3.69Å; V193-F218 HydrophobicContact CG1-CG 4.29Å; V193-F218 HydrophobicContact CG1-CZ 4.12Å; V193-F218 HydrophobicContact CG2-CB 4Å; V193-F218 HydrophobicContact CG2-CD1 4.1Å; V193-F218 HydrophobicContact CG2-CD2 4.1Å; V193-F218 HydrophobicContact CG2-CG 3.79Å; V193-V231 HydrophobicContact CG1-CG1 3.21Å |
| 194 | R | 86.1 | Confident | 74.4 | Confident | 28 Ų | 28 | 55.6 Ų | 55.6 | 11% | 0.106 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 130.3 | 178.7 | -170.4 | 176.9 | -79.6 | 161.5 | 1.9 | 110.2 | P203 E205 V231 C232 L234 | R194-P203 HydrophobicContact CG-CB 3.6Å; R194-P203 HydrophobicContact CG-CG 4.4Å; R194-E205 HydrophobicContact CB-CG 4.46Å; R194-E205 HydrophobicContact CG-CG 4.21Å; R194-E205 IonicContact CZ-OE1 3.75Å; R194-E205 IonicContact NE-OE1 3.96Å; R194-E205 PolarHBondContact NE-OE1 3.18Å; R194-E205 IonicContact NH2-OE1 2.98Å; R194-E205 PolarHBondContact NH2-OE1 2.81Å; R194-V231 WeakPolarHBondContact O-CA 3.44Å; R194-C232 PolarHBondContact N-O 3.44Å; R194-C232 PolarHBondContact O-N 3.21Å; R194-L234 HydrophobicContact CB-CD1 4.02Å; R194-L234 HydrophobicContact CB-CD2 4Å; R194-L234 HydrophobicContact CB-CG 3.95Å |
| 195 | I | 86.1 | Confident | 74.1 | Confident | 5 Ų | 5 | 60.1 Ų | 60.1 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 111.1 | -175.3 | -55.5 | 163.2 | 0 | 0 | 0 | 107.4 | V193 Q204 F218 P221 V229 K230 V231 | V193-I195 HydrophobicContact CG1-CG1 4.33Å; I195-Q204 PolarHBondContact N-O 2.67Å; I195-Q204 PolarHBondContact O-N 2.93Å; I195-F218 HydrophobicContact CD1-CD2 4.35Å; I195-F218 HydrophobicContact CD1-CE2 3.95Å; I195-P221 HydrophobicContact CD1-CG 3.99Å; I195-V229 HydrophobicContact CG2-CB 4.02Å; I195-V229 HydrophobicContact CG2-CG2 3.5Å; I195-K230 WeakPolarHBondContact CA-O 3.44Å; I195-V231 HydrophobicContact CG1-CG1 4.26Å; I195-V231 HydrophobicContact CG1-CG2 4.2Å; I195-V231 HydrophobicContact CG2-CG2 4.33Å |
| 196 | S | 75.8 | Confident | 73.9 | Confident | 23 Ų | 23 | 54.8 Ų | 54.8 | 16% | 0.161 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 157.1 | -174.6 | 58.4 | 0 | 0 | 0 | 0 | 112.2 | K230 | S196-K230 PolarHBondContact N-O 3.4Å; S196-K230 WeakPolarHBondContact O-CA 3.41Å; S196-K230 WeakPolarHBondContact O-CB 3.46Å; S196-K230 PolarHBondContact O-N 2.97Å; S196-K230 VanDerWaalsContact O-O 3.05Å |
| 197 | T | 62.7 | Low | 73.9 | Confident | 36 Ų | 36 | 54.8 Ų | 54.8 | 22% | 0.221 | 31% | 0.306 | C | S | . | . | trans | -87.9 | 166.6 | 164.6 | 69 | 0 | 0 | 0 | 0 | 109.9 | M199 D200 V229 | T197-M199 PolarHBondContact O-N 3.06Å; T197-D200 WeakPolarHBondContact CB-OD2 3.43Å; T197-D200 VanDerWaalsContact CG2-OD2 3.27Å; T197-D200 WeakPolarHBondContact CG2-OD2 3.35Å; T197-D200 PolarHBondContact N-OD2 3.47Å; T197-D200 PolarHBondContact O-N 3.01Å; T197-D200 WeakPolarHBondContact OG1-CB 3.1Å; T197-D200 PolarHBondContact OG1-N 2.62Å; T197-D200 PolarHBondContact OG1-OD1 3.22Å; T197-D200 PolarHBondContact OG1-OD2 3.13Å; T197-V229 HydrophobicContact CG2-CG1 4.05Å | ||
| 198 | H | 50.3 | Low | 73.9 | Confident | 162 Ų | 162 | 56.3 Ų | 56.3 | 75% | 0.75 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -7 | -178.6 | -144.7 | -58 | 0 | 0 | 0 | 114.3 | ||
| 199 | M | 48.4 | Very low | 73.8 | Confident | 170 Ų | 170 | 56.9 Ų | 56.9 | 84% | 0.837 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.7 | 11.1 | -178.2 | -60.9 | -149.6 | -67.6 | 0 | 0 | 114.1 | T197 | T197-M199 PolarHBondContact O-N 3.06Š|
| 200 | D | 52.3 | Low | 73.9 | Confident | 49 Ų | 49 | 59.7 Ų | 59.7 | 26% | 0.262 | 32% | 0.32 | S | S | . | . | trans | -88.1 | 115.4 | 179 | -82.4 | -28.9 | 0 | 0 | 0 | 111.6 | T197 S202 R227 | T197-D200 WeakPolarHBondContact CB-OD2 3.43Å; T197-D200 VanDerWaalsContact CG2-OD2 3.27Å; T197-D200 WeakPolarHBondContact CG2-OD2 3.35Å; T197-D200 PolarHBondContact N-OD2 3.47Å; T197-D200 PolarHBondContact O-N 3.01Å; T197-D200 WeakPolarHBondContact OG1-CB 3.1Å; T197-D200 PolarHBondContact OG1-N 2.62Å; T197-D200 PolarHBondContact OG1-OD1 3.22Å; T197-D200 PolarHBondContact OG1-OD2 3.13Å; D200-S202 VanDerWaalsContact C-N 3.3Å; D200-S202 PolarHBondContact O-N 2.93Å; D200-R227 IonicContact OD1-NH1 3.77Å; D200-R227 IonicContact OD2-CZ 3.71Å; D200-R227 IonicContact OD2-NH1 2.97Å; D200-R227 PolarHBondContact OD2-NH1 3Å; D200-R227 IonicContact OD2-NH2 2.91Å | ||
| 201 | C | 52.2 | Low | 74 | Confident | 68 Ų | 68 | 62 Ų | 62 | 46% | 0.459 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -77.1 | -9.3 | 179.3 | -58.9 | 0 | 0 | 0 | 0 | 115 | C51 P52 P203 | C51-C201 HydrophobicContact CB-CB 3.94Å; P52-C201 VanDerWaalsContact CD-SG 3.58Å; C201-P203 VanDerWaalsContact C-CD 3.45Å; C201-P203 WeakPolarHBondContact O-CD 3.43Å |
| 202 | S | 52 | Low | 74.2 | Confident | 96 Ų | 96 | 63.9 Ų | 63.9 | 67% | 0.671 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -118.5 | 75.4 | 174.4 | 58.7 | 0 | 0 | 0 | 0 | 109.1 | D200 Q204 | D200-S202 VanDerWaalsContact C-N 3.3Å; D200-S202 PolarHBondContact O-N 2.93Å; S202-Q204 PolarHBondContact O-N 2.74Å |
| 203 | P | 67.1 | Low | 74 | Confident | 43 Ų | 43 | 64 Ų | 64 | 28% | 0.279 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 135.7 | 176.8 | 27.4 | -34.6 | 0 | 0 | 0 | 109.3 | R194 C201 | R194-P203 HydrophobicContact CG-CB 3.6Å; R194-P203 HydrophobicContact CG-CG 4.4Å; C201-P203 VanDerWaalsContact C-CD 3.45Å; C201-P203 WeakPolarHBondContact O-CD 3.43Å |
| 204 | Q | 75.7 | Confident | 73.9 | Confident | 68 Ų | 68 | 68.4 Ų | 68.4 | 32% | 0.318 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 122.2 | 174.1 | -69.9 | 177.1 | -36.8 | 0 | 0 | 108.4 | I195 S202 P221 T222 | I195-Q204 PolarHBondContact N-O 2.67Å; I195-Q204 PolarHBondContact O-N 2.93Å; S202-Q204 PolarHBondContact O-N 2.74Å; Q204-P221 HydrophobicContact CB-CB 4.48Å; Q204-P221 HydrophobicContact CB-CG 3.75Å; Q204-P221 HydrophobicContact CG-CG 4.28Å; Q204-T222 PolarHBondContact NE2-O 3.05Å |
| 205 | E | 84.1 | Confident | 74.1 | Confident | 105 Ų | 105 | 68.7 Ų | 68.7 | 49% | 0.491 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 134.9 | 177.8 | -63.6 | -172.8 | 170.1 | 0 | 0 | 110.1 | R194 L234 | R194-E205 HydrophobicContact CB-CG 4.46Å; R194-E205 HydrophobicContact CG-CG 4.21Å; R194-E205 IonicContact CZ-OE1 3.75Å; R194-E205 IonicContact NE-OE1 3.96Å; R194-E205 PolarHBondContact NE-OE1 3.18Å; R194-E205 IonicContact NH2-OE1 2.98Å; R194-E205 PolarHBondContact NH2-OE1 2.81Å; E205-L234 HydrophobicContact CG-CD1 4.02Å |
| 206 | S | 83.3 | Confident | 74.4 | Confident | 8 Ų | 8 | 68.4 Ų | 68.4 | 6% | 0.056 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 126.4 | 178.3 | -164.9 | 0 | 0 | 0 | 0 | 108.9 | G192 V193 H219 | G192-S206 CarbonylContact C-O 3.56Å; G192-S206 WeakPolarHBondContact CA-O 3.18Å; V193-S206 PolarHBondContact N-O 3.41Å; V193-S206 PolarHBondContact O-N 2.93Å; S206-H219 WeakPolarHBondContact CB-O 3.18Å; S206-H219 WeakPolarHBondContact OG-CA 3.48Å; S206-H219 PolarHBondContact OG-N 2.83Å; S206-H219 PolarHBondContact OG-O 2.98Å |
| 207 | P | 85.3 | Confident | 75.1 | Confident | 75 Ų | 75 | 68.4 Ų | 68.4 | 49% | 0.487 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 158.6 | 175.2 | 11.4 | -12.1 | 0 | 0 | 0 | 111 | W209 | P207-W209 HydrophobicContact CB-CH2 4.17Å; P207-W209 HydrophobicContact CB-CZ2 4.24Å; P207-W209 HydrophobicContact CG-CH2 3.49Å; P207-W209 VanDerWaalsContact CG-CH2 3.49Å; P207-W209 HydrophobicContact CG-CZ2 3.63Å; P207-W209 HydrophobicContact CG-CZ3 4.29Å; P207-W209 WeakPolarHBondContact O-CZ3 3.47Å |
| 208 | V | 87.4 | Confident | 76.5 | Confident | 31 Ų | 31 | 66.7 Ų | 66.7 | 19% | 0.188 | 37% | 0.368 | C | S | . | . | trans | -93.4 | 135 | 176.3 | 173.4 | 0 | 0 | 0 | 0 | 110.2 | V190 V193 N211 L216 | V190-V208 HydrophobicContact CG1-CG2 4.08Å; V193-V208 HydrophobicContact CG2-CG2 4.14Å; V208-N211 HydrophobicContact CG1-CB 3.89Å; V208-L216 HydrophobicContact CG1-CB 3.66Å; V208-L216 HydrophobicContact CG1-CD1 4.1Å; V208-L216 HydrophobicContact CG1-CD2 4.05Å; V208-L216 HydrophobicContact CG1-CG 4.15Å; V208-L216 HydrophobicContact CG2-CD1 4.04Å; V208-L216 HydrophobicContact CG2-CD2 4.06Å | ||
| 209 | W | 80.1 | Confident | 78.3 | Confident | 89 Ų | 89 | 61.2 Ų | 61.2 | 34% | 0.337 | 34% | 0.343 | S | S | . | . | B | Isolated β-bridge | trans | -117.3 | 147.9 | 169.9 | -60.8 | -87.3 | 0 | 0 | 0 | 109.7 | P207 N211 T217 F218 H219 | P207-W209 HydrophobicContact CB-CH2 4.17Å; P207-W209 HydrophobicContact CB-CZ2 4.24Å; P207-W209 HydrophobicContact CG-CH2 3.49Å; P207-W209 VanDerWaalsContact CG-CH2 3.49Å; P207-W209 HydrophobicContact CG-CZ2 3.63Å; P207-W209 HydrophobicContact CG-CZ3 4.29Å; P207-W209 WeakPolarHBondContact O-CZ3 3.47Å; W209-N211 PolarHBondContact O-N 3.06Å; W209-T217 WeakPolarHBondContact CB-OG1 3.43Å; W209-T217 PolarHBondContact N-O 2.8Å; W209-T217 WeakPolarHBondContact O-CA 3.21Å; W209-T217 PolarHBondContact O-N 3.26Å; W209-T217 VanDerWaalsContact O-O 3.06Å; W209-T217 PolarHBondContact O-OG1 3.47Å; W209-F218 HydrophobicContact CE3-CB 4.48Å; W209-F218 HydrophobicContact CZ3-CB 4.33Å; W209-H219 HydrophobicContact CH2-CB 4.04Å; W209-H219 AromaticContact CH2-CD2 2.99Å; W209-H219 WeakPolarHBondContact CH2-CD2 3.5Å; W209-H219 AromaticContact CH2-CG 3.66Å; W209-H219 AromaticContact CH2-NE2 3.81Å; W209-H219 AromaticContact CZ2-CD2 3.45Å; W209-H219 VanDerWaalsContact CZ2-CD2 3.45Å; W209-H219 WeakPolarHBondContact CZ2-CD2 3.45Å; W209-H219 AromaticContact CZ2-NE2 3.86Å; W209-H219 HydrophobicContact CZ3-CB 3.92Å; W209-H219 AromaticContact CZ3-CD2 3.37Å; W209-H219 WeakPolarHBondContact CZ3-CD2 3.23Å; W209-H219 AromaticContact CZ3-CG 3.62Å; W209-H219 VanDerWaalsContact CZ3-N 3.27Å |
| 210 | N | 82.4 | Confident | 80.3 | Confident | 133 Ų | 133 | 53.3 Ų | 53.3 | 71% | 0.711 | 30% | 0.304 | S | S | * | . | S | Bend | trans | 49.8 | 57.4 | 174.3 | -62.7 | -15.9 | 0 | 0 | 0 | 113.9 | ||
| 211 | N | 87.1 | Confident | 82 | Confident | 56 Ų | 56 | 52.6 Ų | 52.6 | 30% | 0.299 | 30% | 0.302 | S | S | . | . | trans | -80.2 | 123.9 | 176.8 | -168.6 | -4.9 | 0 | 0 | 0 | 111 | L187 S188 V190 V208 W209 G213 L216 | L187-N211 PolarHBondContact O-ND2 3.12Å; L187-N211 PolarHBondContact O-OD1 3.33Å; S188-N211 PolarHBondContact O-ND2 3.27Å; V190-N211 PolarHBondContact O-ND2 3.3Å; V208-N211 HydrophobicContact CG1-CB 3.89Å; W209-N211 PolarHBondContact O-N 3.06Å; N211-G213 PolarHBondContact OD1-N 3.4Å; N211-L216 HydrophobicContact CB-CB 4.25Å | ||
| 212 | T | 85.6 | Confident | 83.6 | Confident | 90 Ų | 90 | 52.5 Ų | 52.5 | 55% | 0.552 | 30% | 0.299 | S | S | * | . | trans | -109 | 3.4 | 179.8 | 57 | 0 | 0 | 0 | 0 | 112.8 | V214 S215 | T212-V214 PolarHBondContact O-N 3.47Å; T212-S215 PolarHBondContact N-O 2.95Å; T212-S215 PolarHBondContact OG1-N 3.42Å; T212-S215 PolarHBondContact OG1-O 3.32Å; T212-S215 PolarHBondContact OG1-OG 3.46Å | ||
| 213 | G | 81.4 | Confident | 84.9 | Confident | 10 Ų | 10 | 48.6 Ų | 48.6 | 10% | 0.103 | 27% | 0.271 | C | S | . | . | S | Bend | trans | 80.8 | -22.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L187 N211 | L187-G213 WeakPolarHBondContact CB-O 3.32Å; L187-G213 PolarHBondContact N-O 2.91Å; N211-G213 PolarHBondContact OD1-N 3.4Å |
| 214 | V | 87.5 | Confident | 85.2 | Confident | 92 Ų | 92 | 55.4 Ų | 55.4 | 56% | 0.558 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -116.1 | -19.5 | 174.2 | -66.4 | 0 | 0 | 0 | 0 | 113.1 | G184 T212 | G184-V214 PolarHBondContact N-O 3.13Å; G184-V214 CarbonylContact O-C 3.59Å; G184-V214 WeakPolarHBondContact O-CA 3.43Å; T212-V214 PolarHBondContact O-N 3.47Å |
| 215 | S | 89.3 | Confident | 85 | Confident | 33 Ų | 33 | 56 Ų | 56 | 23% | 0.231 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 149.4 | 174.7 | 68.9 | 0 | 0 | 0 | 0 | 110.8 | L182 T212 | L182-S215 CarbonylContact O-C 3.49Å; L182-S215 VanDerWaalsContact O-CA 3.23Å; L182-S215 WeakPolarHBondContact O-CA 3.47Å; T212-S215 PolarHBondContact N-O 2.95Å; T212-S215 PolarHBondContact OG1-N 3.42Å; T212-S215 PolarHBondContact OG1-O 3.32Å; T212-S215 PolarHBondContact OG1-OG 3.46Å |
| 216 | L | 92.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 156.3 | 178.3 | 66.9 | 78.2 | 0 | 0 | 0 | 110.1 | L182 L187 V190 V193 V208 N211 F218 | L182-L216 HydrophobicContact CB-CD1 3.69Å; L182-L216 HydrophobicContact CB-CG 4.05Å; L182-L216 HydrophobicContact CD2-CD1 4.46Å; L182-L216 HydrophobicContact CD2-CD2 4.34Å; L182-L216 HydrophobicContact CD2-CG 4.16Å; L182-L216 HydrophobicContact CG-CD1 4.45Å; L182-L216 PolarHBondContact N-O 2.96Å; L182-L216 PolarHBondContact O-N 3.12Å; L187-L216 HydrophobicContact CB-CD2 4.31Å; L187-L216 HydrophobicContact CD1-CD2 4.25Å; L187-L216 HydrophobicContact CD1-CG 4.44Å; V190-L216 HydrophobicContact CB-CD2 3.95Å; V190-L216 HydrophobicContact CG1-CD2 3.67Å; V193-L216 HydrophobicContact CG2-CD1 3.89Å; V208-L216 HydrophobicContact CG1-CB 3.66Å; V208-L216 HydrophobicContact CG1-CD1 4.1Å; V208-L216 HydrophobicContact CG1-CD2 4.05Å; V208-L216 HydrophobicContact CG1-CG 4.15Å; V208-L216 HydrophobicContact CG2-CD1 4.04Å; V208-L216 HydrophobicContact CG2-CD2 4.06Å; N211-L216 HydrophobicContact CB-CB 4.25Å; L216-F218 HydrophobicContact CD1-CB 4.48Å; L216-F218 HydrophobicContact CD1-CD1 4.06Å |
| 217 | T | 90.8 | Very high | 84.3 | Confident | 22 Ų | 22 | 62.7 Ų | 62.7 | 14% | 0.135 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 142.7 | 177.2 | 60.4 | 0 | 0 | 0 | 0 | 110.9 | A180 L181 W209 | A180-T217 CarbonylContact O-C 3.59Å; A180-T217 VanDerWaalsContact O-CA 3.26Å; A180-T217 WeakPolarHBondContact O-CA 2.96Å; L181-T217 HydrophobicContact CD1-CG2 3.98Å; W209-T217 WeakPolarHBondContact CB-OG1 3.43Å; W209-T217 PolarHBondContact N-O 2.8Å; W209-T217 WeakPolarHBondContact O-CA 3.21Å; W209-T217 PolarHBondContact O-N 3.26Å; W209-T217 VanDerWaalsContact O-O 3.06Å; W209-T217 PolarHBondContact O-OG1 3.47Å |
| 218 | F | 92.1 | Very high | 84.2 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 167.2 | -179.9 | 73.2 | -72.6 | 0 | 0 | 0 | 111.5 | I167 H179 A180 L182 V193 I195 W209 L216 I220 | I167-F218 HydrophobicContact CD1-CZ 4.43Å; I167-F218 HydrophobicContact CG2-CE1 4.19Å; I167-F218 HydrophobicContact CG2-CZ 3.96Å; H179-F218 CarbonylContact C-O 3.46Å; H179-F218 WeakPolarHBondContact CA-O 3.45Å; H179-F218 PolarHBondContact N-O 3.13Å; A180-F218 HydrophobicContact CB-CD1 4.32Å; A180-F218 HydrophobicContact CB-CE1 3.93Å; A180-F218 HydrophobicContact CB-CZ 4.11Å; A180-F218 PolarHBondContact N-O 3.33Å; A180-F218 WeakPolarHBondContact O-CD1 3.4Å; A180-F218 PolarHBondContact O-N 2.84Å; L182-F218 HydrophobicContact CB-CD1 4.1Å; L182-F218 HydrophobicContact CB-CE1 3.8Å; L182-F218 HydrophobicContact CD1-CE1 4.27Å; V193-F218 HydrophobicContact CB-CB 4.39Å; V193-F218 HydrophobicContact CB-CD2 3.8Å; V193-F218 HydrophobicContact CB-CE2 4.23Å; V193-F218 HydrophobicContact CB-CG 4.04Å; V193-F218 HydrophobicContact CG1-CD2 3.8Å; V193-F218 HydrophobicContact CG1-CE2 3.69Å; V193-F218 HydrophobicContact CG1-CG 4.29Å; V193-F218 HydrophobicContact CG1-CZ 4.12Å; V193-F218 HydrophobicContact CG2-CB 4Å; V193-F218 HydrophobicContact CG2-CD1 4.1Å; V193-F218 HydrophobicContact CG2-CD2 4.1Å; V193-F218 HydrophobicContact CG2-CG 3.79Å; I195-F218 HydrophobicContact CD1-CD2 4.35Å; I195-F218 HydrophobicContact CD1-CE2 3.95Å; W209-F218 HydrophobicContact CE3-CB 4.48Å; W209-F218 HydrophobicContact CZ3-CB 4.33Å; L216-F218 HydrophobicContact CD1-CB 4.48Å; L216-F218 HydrophobicContact CD1-CD1 4.06Å; F218-I220 HydrophobicContact CD2-CG1 4.39Å; F218-I220 HydrophobicContact CE2-CD1 4.49Å; F218-I220 HydrophobicContact CE2-CG1 3.62Å; F218-I220 HydrophobicContact CZ-CD1 4.33Å; F218-I220 HydrophobicContact CZ-CG1 3.93Å |
| 219 | H | 89 | Confident | 84 | Confident | 48 Ų | 48 | 61.8 Ų | 61.8 | 22% | 0.222 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 124.7 | 176.4 | -69.7 | -43.6 | 0 | 0 | 0 | 109.1 | N178 H179 S206 W209 P221 | N178-H219 WeakPolarHBondContact CA-ND1 3.2Å; H179-H219 AromaticContact CE1-CE1 3.58Å; H179-H219 PolarHBondContact N-ND1 3.06Å; H179-H219 VanDerWaalsContact N-ND1 3.15Å; H179-H219 AromaticContact ND1-CE1 3.71Å; H179-H219 AromaticContact NE2-CE1 3.82Å; S206-H219 WeakPolarHBondContact CB-O 3.18Å; S206-H219 WeakPolarHBondContact OG-CA 3.48Å; S206-H219 PolarHBondContact OG-N 2.83Å; S206-H219 PolarHBondContact OG-O 2.98Å; W209-H219 HydrophobicContact CH2-CB 4.04Å; W209-H219 AromaticContact CH2-CD2 2.99Å; W209-H219 WeakPolarHBondContact CH2-CD2 3.5Å; W209-H219 AromaticContact CH2-CG 3.66Å; W209-H219 AromaticContact CH2-NE2 3.81Å; W209-H219 AromaticContact CZ2-CD2 3.45Å; W209-H219 VanDerWaalsContact CZ2-CD2 3.45Å; W209-H219 WeakPolarHBondContact CZ2-CD2 3.45Å; W209-H219 AromaticContact CZ2-NE2 3.86Å; W209-H219 HydrophobicContact CZ3-CB 3.92Å; W209-H219 AromaticContact CZ3-CD2 3.37Å; W209-H219 WeakPolarHBondContact CZ3-CD2 3.23Å; W209-H219 AromaticContact CZ3-CG 3.62Å; W209-H219 VanDerWaalsContact CZ3-N 3.27Å; H219-P221 WeakPolarHBondContact O-CD 3.24Å |
| 220 | I | 89.5 | Confident | 84.2 | Confident | 4 Ų | 4 | 61.3 Ų | 61.3 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 116.9 | 169.5 | -61.6 | 170.1 | 0 | 0 | 0 | 107.2 | V172 G176 K177 A180 F218 V246 Y248 | V172-I220 HydrophobicContact CG1-CD1 3.75Å; V172-I220 HydrophobicContact CG1-CG2 4.47Å; V172-I220 HydrophobicContact CG2-CG2 4.02Å; G176-I220 CarbonylContact C-O 3.49Å; G176-I220 VanDerWaalsContact CA-O 3.26Å; G176-I220 WeakPolarHBondContact CA-O 3.37Å; K177-I220 HydrophobicContact CB-CB 4.3Å; K177-I220 HydrophobicContact CB-CD1 4.38Å; K177-I220 PolarHBondContact N-O 3.39Å; K177-I220 PolarHBondContact O-N 2.64Å; A180-I220 HydrophobicContact CB-CD1 3.49Å; A180-I220 VanDerWaalsContact CB-CD1 3.49Å; A180-I220 HydrophobicContact CB-CG1 3.71Å; F218-I220 HydrophobicContact CD2-CG1 4.39Å; F218-I220 HydrophobicContact CE2-CD1 4.49Å; F218-I220 HydrophobicContact CE2-CG1 3.62Å; F218-I220 HydrophobicContact CZ-CD1 4.33Å; F218-I220 HydrophobicContact CZ-CG1 3.93Å; I220-V246 HydrophobicContact CD1-CG1 4.25Å; I220-V246 HydrophobicContact CD1-CG2 4.29Å; I220-V246 HydrophobicContact CG2-CG1 4.3Å; I220-Y248 HydrophobicContact CG2-CE1 4.23Å; I220-Y248 WeakPolarHBondContact CG2-OH 3.5Å |
| 221 | P | 88 | Confident | 84.5 | Confident | 33 Ų | 33 | 55 Ų | 55 | 21% | 0.214 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 167.5 | -174.4 | 31.8 | -37.4 | 0 | 0 | 0 | 113 | I195 Q204 H219 Y248 | I195-P221 HydrophobicContact CD1-CG 3.99Å; Q204-P221 HydrophobicContact CB-CB 4.48Å; Q204-P221 HydrophobicContact CB-CG 3.75Å; Q204-P221 HydrophobicContact CG-CG 4.28Å; H219-P221 WeakPolarHBondContact O-CD 3.24Å; P221-Y248 VanDerWaalsContact O-CE1 3.26Å; P221-Y248 WeakPolarHBondContact O-CE1 3.45Å; P221-Y248 PolarHBondContact O-OH 3.03Å |
| 222 | T | 85.1 | Confident | 84.5 | Confident | 67 Ų | 67 | 53.3 Ų | 53.3 | 41% | 0.411 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 146.4 | 175.8 | -50.5 | 0 | 0 | 0 | 0 | 112.3 | L174 Y175 Q204 | L174-T222 CarbonylContact O-C 3.56Å; L174-T222 VanDerWaalsContact O-CA 3.32Å; L174-T222 WeakPolarHBondContact O-CA 3.44Å; L174-T222 WeakPolarHBondContact O-CG2 3.34Å; Y175-T222 HydrophobicContact CD1-CG2 3.8Å; Y175-T222 PolarHBondContact O-OG1 2.82Å; Q204-T222 PolarHBondContact NE2-O 3.05Å |
| 223 | T | 79.9 | Confident | 84.6 | Confident | 14 Ų | 14 | 49 Ų | 49 | 9% | 0.086 | 25% | 0.253 | C | S | . | . | trans | -140.1 | 154.3 | 172.9 | -161.7 | 0 | 0 | 0 | 0 | 112 | L174 T225 R227 Y248 | L174-T223 WeakPolarHBondContact CB-O 3.3Å; L174-T223 HydrophobicContact CD2-CG2 3.72Å; L174-T223 PolarHBondContact O-N 2.64Å; T223-T225 WeakPolarHBondContact CG2-O 3.39Å; T223-R227 PolarHBondContact OG1-NE 3.08Å; T223-R227 PolarHBondContact OG1-NH2 2.83Å; T223-R227 VanDerWaalsContact OG1-NH2 3.15Å; T223-Y248 HydrophobicContact CG2-CD1 3.25Å; T223-Y248 HydrophobicContact CG2-CD2 3.75Å; T223-Y248 HydrophobicContact CG2-CE1 3.54Å; T223-Y248 HydrophobicContact CG2-CE2 4Å; T223-Y248 HydrophobicContact CG2-CG 3.34Å | ||
| 224 | E | 74.5 | Confident | 84.7 | Confident | 185 Ų | 185 | 48.9 Ų | 48.9 | 86% | 0.864 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -89 | -22.8 | -176.5 | -62.7 | -175.8 | 171.6 | 0 | 0 | 113.8 | ||
| 225 | T | 71.4 | Confident | 84.3 | Confident | 82 Ų | 82 | 44.7 Ų | 44.7 | 50% | 0.503 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -121.7 | 146.6 | -173.1 | 54.1 | 0 | 0 | 0 | 0 | 112.2 | L174 T223 R227 | L174-T225 WeakPolarHBondContact CD2-O 3.22Å; T223-T225 WeakPolarHBondContact CG2-O 3.39Å; T225-R227 PolarHBondContact O-N 3.26Å |
| 226 | R | 74.7 | Confident | 83.2 | Confident | 185 Ų | 185 | 44.6 Ų | 44.6 | 70% | 0.698 | 22% | 0.223 | S | C | * | . | trans | -68.3 | 113.5 | 172.3 | -172.2 | -171.5 | 177.3 | 179.1 | -3.1 | 108.6 | Y248 | R226-Y248 VanDerWaalsContact CG-O 3.26Å; R226-Y248 WeakPolarHBondContact CG-O 3.42Å | ||
| 227 | R | 77.4 | Confident | 81.7 | Confident | 67 Ų | 67 | 47.8 Ų | 47.8 | 25% | 0.253 | 24% | 0.24 | S | C | . | . | trans | -152.8 | 156.4 | -178.9 | 59.7 | -170 | -179.2 | 158 | 11 | 112.1 | D200 T223 T225 V229 Y248 | D200-R227 IonicContact OD1-NH1 3.77Å; D200-R227 IonicContact OD2-CZ 3.71Å; D200-R227 IonicContact OD2-NH1 2.97Å; D200-R227 PolarHBondContact OD2-NH1 3Å; D200-R227 IonicContact OD2-NH2 2.91Å; T223-R227 PolarHBondContact OG1-NE 3.08Å; T223-R227 PolarHBondContact OG1-NH2 2.83Å; T223-R227 VanDerWaalsContact OG1-NH2 3.15Å; T225-R227 PolarHBondContact O-N 3.26Å; R227-V229 HydrophobicContact CG-CG1 3.92Å; R227-Y248 HydrophobicContact CG-CD2 4.46Å; R227-Y248 PolarHBondContact O-N 3.38Å | ||
| 228 | V | 82.6 | Confident | 80.2 | Confident | 85 Ų | 85 | 46.8 Ų | 46.8 | 52% | 0.515 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 121.5 | 166.3 | -177.5 | 0 | 0 | 0 | 0 | 106.7 | T245 V246 T247 | V228-T245 HydrophobicContact CG1-CG2 4.26Å; V228-V246 WeakPolarHBondContact CA-O 3.38Å; V228-T247 HydrophobicContact CG2-CG2 4.22Å |
| 229 | V | 83.8 | Confident | 79.1 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 147.9 | 177.7 | -61.5 | 0 | 0 | 0 | 0 | 109.8 | I195 T197 R227 T245 V246 Y248 | I195-V229 HydrophobicContact CG2-CB 4.02Å; I195-V229 HydrophobicContact CG2-CG2 3.5Å; T197-V229 HydrophobicContact CG2-CG1 4.05Å; R227-V229 HydrophobicContact CG-CG1 3.92Å; V229-T245 CarbonylContact O-C 3.58Å; V229-T245 VanDerWaalsContact O-CA 3.26Å; V229-T245 WeakPolarHBondContact O-CA 3.38Å; V229-V246 HydrophobicContact CG2-CB 3.86Å; V229-V246 HydrophobicContact CG2-CG1 4.45Å; V229-V246 WeakPolarHBondContact CG2-O 3.03Å; V229-V246 PolarHBondContact N-O 3.13Å; V229-V246 PolarHBondContact O-N 3.39Å; V229-Y248 HydrophobicContact CB-CE2 4.44Å; V229-Y248 HydrophobicContact CG1-CD2 4.13Å; V229-Y248 HydrophobicContact CG1-CE2 3.87Å; V229-Y248 HydrophobicContact CG2-CD2 4.18Å; V229-Y248 HydrophobicContact CG2-CE2 3.65Å |
| 230 | K | 83.9 | Confident | 78.6 | Confident | 79 Ų | 79 | 47.8 Ų | 47.8 | 34% | 0.343 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 145.6 | 169.1 | -71.4 | -172.1 | 172.6 | -160.2 | 0 | 109.7 | I195 S196 N243 A244 T245 | I195-K230 WeakPolarHBondContact CA-O 3.44Å; S196-K230 PolarHBondContact N-O 3.4Å; S196-K230 WeakPolarHBondContact O-CA 3.41Å; S196-K230 WeakPolarHBondContact O-CB 3.46Å; S196-K230 PolarHBondContact O-N 2.97Å; S196-K230 VanDerWaalsContact O-O 3.05Å; K230-N243 WeakPolarHBondContact CD-OD1 3.12Å; K230-N243 VanDerWaalsContact CE-OD1 3.23Å; K230-N243 WeakPolarHBondContact CE-OD1 3.48Å; K230-N243 PolarHBondContact NZ-OD1 2.5Å; K230-N243 VanDerWaalsContact NZ-OD1 3.07Å; K230-A244 CarbonylContact C-O 3.41Å; K230-A244 WeakPolarHBondContact CA-O 3.39Å; K230-T245 HydrophobicContact CG-CG2 4.39Å |
| 231 | V | 88.2 | Confident | 78.3 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 125.9 | 179.2 | -174.1 | 0 | 0 | 0 | 0 | 108.5 | I167 V193 R194 I195 A244 V246 | I167-V231 HydrophobicContact CD1-CB 3.53Å; I167-V231 HydrophobicContact CD1-CG1 3.5Å; I167-V231 HydrophobicContact CD1-CG2 3.95Å; V193-V231 HydrophobicContact CG1-CG1 3.21Å; R194-V231 WeakPolarHBondContact O-CA 3.44Å; I195-V231 HydrophobicContact CG1-CG1 4.26Å; I195-V231 HydrophobicContact CG1-CG2 4.2Å; I195-V231 HydrophobicContact CG2-CG2 4.33Å; V231-A244 HydrophobicContact CB-CB 4.41Å; V231-A244 PolarHBondContact N-O 2.86Å; V231-A244 PolarHBondContact O-N 2.97Å; V231-A244 VanDerWaalsContact O-N 3.13Å; V231-V246 HydrophobicContact CG2-CB 4.16Å; V231-V246 HydrophobicContact CG2-CG2 3.68Å |
| 232 | C | 86.9 | Confident | 77.9 | Confident | 20 Ų | 20 | 50.5 Ų | 50.5 | 14% | 0.135 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 151.7 | 174.3 | 56.3 | 0 | 0 | 0 | 0 | 109.9 | R194 C240 H241 G242 | R194-C232 PolarHBondContact N-O 3.44Å; R194-C232 PolarHBondContact O-N 3.21Å; C232-C240 HydrophobicContact CB-CB 3.97Å; C232-C240 WeakPolarHBondContact CB-SG 3.06Å; C232-C240 WeakPolarHBondContact SG-CB 3.39Å; C232-C240 CovalentContact SG-SG 2.02Å; C232-C240 PolarHBondContact SG-SG 2.9Å; C232-H241 CarbonylContact C-O 3.46Å; C232-H241 VanDerWaalsContact CA-O 3.27Å; C232-H241 WeakPolarHBondContact CA-O 3.04Å; C232-H241 VanDerWaalsContact CB-O 3.27Å; C232-H241 WeakPolarHBondContact CB-O 3.48Å; C232-G242 WeakPolarHBondContact CB-O 3.43Å |
| 233 | V | 88.2 | Confident | 77.5 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 140 | 178 | -68.9 | 0 | 0 | 0 | 0 | 110 | P162 V164 L182 V190 C240 H241 | P162-V233 HydrophobicContact CB-CG2 3.84Å; P162-V233 HydrophobicContact CG-CG2 3.58Å; V164-V233 HydrophobicContact CG2-CB 4.48Å; V164-V233 HydrophobicContact CG2-CG1 3.81Å; V164-V233 HydrophobicContact CG2-CG2 3.9Å; L182-V233 HydrophobicContact CD1-CG1 3.72Å; L182-V233 HydrophobicContact CD2-CG1 3.99Å; V190-V233 HydrophobicContact CB-CB 4.47Å; V190-V233 HydrophobicContact CG1-CB 3.63Å; V190-V233 HydrophobicContact CG1-CG1 3.96Å; V190-V233 HydrophobicContact CG2-CB 3.9Å; V190-V233 HydrophobicContact CG2-CG1 4.42Å; V190-V233 HydrophobicContact CG2-CG2 4.01Å; V233-C240 WeakPolarHBondContact O-CA 3.39Å; V233-H241 HydrophobicContact CG2-CB 4.15Å; V233-H241 VanDerWaalsContact CG2-O 3.25Å; V233-H241 WeakPolarHBondContact CG2-O 3.37Å; V233-H241 PolarHBondContact N-O 3.44Å; V233-H241 PolarHBondContact O-N 3.38Å |
| 234 | L | 83.9 | Confident | 77.8 | Confident | 7 Ų | 7 | 52.6 Ų | 52.6 | 4% | 0.037 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 132.1 | -179.8 | -65.5 | 171.4 | 0 | 0 | 0 | 110.4 | V190 I191 G192 R194 E205 S239 C240 | V190-L234 WeakPolarHBondContact CA-O 3.14Å; I191-L234 HydrophobicContact CG1-CB 4.09Å; I191-L234 WeakPolarHBondContact CG1-O 3.38Å; I191-L234 PolarHBondContact N-O 3.44Å; G192-L234 PolarHBondContact O-N 3.36Å; R194-L234 HydrophobicContact CB-CD1 4.02Å; R194-L234 HydrophobicContact CB-CD2 4Å; R194-L234 HydrophobicContact CB-CG 3.95Å; E205-L234 HydrophobicContact CG-CD1 4.02Å; L234-S239 WeakPolarHBondContact CA-O 3.12Å; L234-C240 HydrophobicContact CD2-CB 4.05Å; L234-C240 VanDerWaalsContact CD2-SG 3.56Å |
| 235 | L | 79.6 | Confident | 78.5 | Confident | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -96.1 | 165.4 | 170.7 | -72.7 | -178.1 | 0 | 0 | 0 | 111.1 | I159 P162 D189 V190 I191 D237 G238 S239 | I159-L235 HydrophobicContact CB-CD1 4.49Å; I159-L235 HydrophobicContact CG2-CD1 3.65Å; I159-L235 HydrophobicContact CG2-CD2 3.7Å; I159-L235 HydrophobicContact CG2-CG 4.26Å; P162-L235 HydrophobicContact CG-CD1 4.23Å; P162-L235 HydrophobicContact CG-CD2 3.98Å; P162-L235 HydrophobicContact CG-CG 4.11Å; D189-L235 HydrophobicContact CB-CD2 4.27Å; V190-L235 HydrophobicContact CG2-CD2 4.26Å; I191-L235 WeakPolarHBondContact CD1-O 3.5Å; L235-D237 WeakPolarHBondContact CB-OD1 3.25Å; L235-D237 PolarHBondContact O-N 3.04Å; L235-D237 VanDerWaalsContact O-N 3.14Å; L235-G238 PolarHBondContact O-N 3.4Å; L235-S239 PolarHBondContact N-O 2.81Å; L235-S239 VanDerWaalsContact N-O 3.15Å |
| 236 | P | 65.8 | Low | 79.4 | Confident | 32 Ų | 32 | 43.2 Ų | 43.2 | 21% | 0.208 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -26.9 | 178.6 | -25.4 | 34.8 | 0 | 0 | 0 | 115 | R101 M157 I159 D189 I191 G238 | R101-P236 WeakPolarHBondContact CG-O 3.39Å; M157-P236 HydrophobicContact CE-CB 4.3Å; I159-P236 HydrophobicContact CD1-CG 4.4Å; D189-P236 WeakPolarHBondContact O-CD 3.27Å; I191-P236 HydrophobicContact CG2-CG 4.08Å; P236-G238 PolarHBondContact O-N 3.03Å |
| 237 | D | 60.5 | Low | 80.1 | Confident | 66 Ų | 66 | 36.2 Ų | 36.2 | 35% | 0.353 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -1.5 | 177.5 | 66.5 | -6.2 | 0 | 0 | 0 | 113.6 | M157 L235 S239 | M157-D237 HydrophobicContact CE-CB 4.24Å; L235-D237 WeakPolarHBondContact CB-OD1 3.25Å; L235-D237 PolarHBondContact O-N 3.04Å; L235-D237 VanDerWaalsContact O-N 3.14Å; D237-S239 VanDerWaalsContact C-N 3.27Å; D237-S239 VanDerWaalsContact CG-OG 3.24Å; D237-S239 PolarHBondContact O-N 3.35Å; D237-S239 VanDerWaalsContact OD1-CB 3.27Å; D237-S239 WeakPolarHBondContact OD1-CB 3.01Å; D237-S239 PolarHBondContact OD1-N 2.93Å; D237-S239 PolarHBondContact OD1-OG 3.31Å; D237-S239 PolarHBondContact OD2-OG 3.26Å; D237-S239 VanDerWaalsContact OD2-OG 3.13Å |
| 238 | G | 59.8 | Low | 80.6 | Confident | 2 Ų | 2 | 33 Ų | 33 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | S | Bend | trans | 79.7 | 3.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S105 L235 P236 | S105-G238 WeakPolarHBondContact OG-CA 3.27Å; L235-G238 PolarHBondContact O-N 3.4Å; P236-G238 PolarHBondContact O-N 3.03Å |
| 239 | S | 68.9 | Low | 80.8 | Confident | 26 Ų | 26 | 31.2 Ų | 31.2 | 18% | 0.182 | 18% | 0.183 | C | C | . | . | trans | -70.8 | 148.2 | 173.8 | 68.9 | 0 | 0 | 0 | 0 | 111 | L234 L235 D237 H241 | L234-S239 WeakPolarHBondContact CA-O 3.12Å; L235-S239 PolarHBondContact N-O 2.81Å; L235-S239 VanDerWaalsContact N-O 3.15Å; D237-S239 VanDerWaalsContact C-N 3.27Å; D237-S239 VanDerWaalsContact CG-OG 3.24Å; D237-S239 PolarHBondContact O-N 3.35Å; D237-S239 VanDerWaalsContact OD1-CB 3.27Å; D237-S239 WeakPolarHBondContact OD1-CB 3.01Å; D237-S239 PolarHBondContact OD1-N 2.93Å; D237-S239 PolarHBondContact OD1-OG 3.31Å; D237-S239 PolarHBondContact OD2-OG 3.26Å; D237-S239 VanDerWaalsContact OD2-OG 3.13Å; S239-H241 WeakPolarHBondContact CB-NE2 3.45Å; S239-H241 PolarHBondContact OG-CD2 2.9Å; S239-H241 PolarHBondContact OG-NE2 3.38Å | ||
| 240 | C | 78.8 | Confident | 80.9 | Confident | 42 Ų | 42 | 33.6 Ų | 33.6 | 28% | 0.284 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 122.8 | 179.1 | -142.9 | 0 | 0 | 0 | 0 | 110.9 | C232 V233 L234 | C232-C240 HydrophobicContact CB-CB 3.97Å; C232-C240 WeakPolarHBondContact CB-SG 3.06Å; C232-C240 WeakPolarHBondContact SG-CB 3.39Å; C232-C240 CovalentContact SG-SG 2.02Å; C232-C240 PolarHBondContact SG-SG 2.9Å; V233-C240 WeakPolarHBondContact O-CA 3.39Å; L234-C240 HydrophobicContact CD2-CB 4.05Å; L234-C240 VanDerWaalsContact CD2-SG 3.56Å |
| 241 | H | 82 | Confident | 81 | Confident | 58 Ų | 58 | 32.1 Ų | 32.1 | 27% | 0.269 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 147 | -172.1 | -71.5 | -92.4 | 0 | 0 | 0 | 111.6 | P162 C232 V233 S239 | P162-H241 HydrophobicContact CG-CB 3.68Å; C232-H241 CarbonylContact C-O 3.46Å; C232-H241 VanDerWaalsContact CA-O 3.27Å; C232-H241 WeakPolarHBondContact CA-O 3.04Å; C232-H241 VanDerWaalsContact CB-O 3.27Å; C232-H241 WeakPolarHBondContact CB-O 3.48Å; V233-H241 HydrophobicContact CG2-CB 4.15Å; V233-H241 VanDerWaalsContact CG2-O 3.25Å; V233-H241 WeakPolarHBondContact CG2-O 3.37Å; V233-H241 PolarHBondContact N-O 3.44Å; V233-H241 PolarHBondContact O-N 3.38Å; S239-H241 WeakPolarHBondContact CB-NE2 3.45Å; S239-H241 PolarHBondContact OG-CD2 2.9Å; S239-H241 PolarHBondContact OG-NE2 3.38Å |
| 242 | G | 80.1 | Confident | 80.9 | Confident | 36 Ų | 36 | 32.1 Ų | 32.1 | 37% | 0.371 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 90.4 | 159.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | C232 | C232-G242 WeakPolarHBondContact CB-O 3.43Å |
| 243 | N | 77.6 | Confident | 80.7 | Confident | 107 Ų | 107 | 34.6 Ų | 34.6 | 57% | 0.572 | 21% | 0.209 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 43.7 | -175.2 | -174.4 | 35.6 | 0 | 0 | 0 | 110.8 | K230 | K230-N243 WeakPolarHBondContact CD-OD1 3.12Å; K230-N243 VanDerWaalsContact CE-OD1 3.23Å; K230-N243 WeakPolarHBondContact CE-OD1 3.48Å; K230-N243 PolarHBondContact NZ-OD1 2.5Å; K230-N243 VanDerWaalsContact NZ-OD1 3.07Å |
| 244 | A | 85.4 | Confident | 80.6 | Confident | 18 Ų | 18 | 35.1 Ų | 35.1 | 15% | 0.149 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 160.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | V164 I167 K230 V231 | V164-A244 HydrophobicContact CG1-CB 3.83Å; I167-A244 HydrophobicContact CD1-CB 3.39Å; I167-A244 HydrophobicContact CG1-CB 3.87Å; K230-A244 CarbonylContact C-O 3.41Å; K230-A244 WeakPolarHBondContact CA-O 3.39Å; V231-A244 HydrophobicContact CB-CB 4.41Å; V231-A244 PolarHBondContact N-O 2.86Å; V231-A244 PolarHBondContact O-N 2.97Å; V231-A244 VanDerWaalsContact O-N 3.13Å |
| 245 | T | 88.6 | Confident | 80.6 | Confident | 70 Ų | 70 | 38.4 Ų | 38.4 | 43% | 0.429 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 143.9 | -179.9 | 56.8 | 0 | 0 | 0 | 0 | 111.5 | V228 V229 K230 | V228-T245 HydrophobicContact CG1-CG2 4.26Å; V229-T245 CarbonylContact O-C 3.58Å; V229-T245 VanDerWaalsContact O-CA 3.26Å; V229-T245 WeakPolarHBondContact O-CA 3.38Å; K230-T245 HydrophobicContact CG-CG2 4.39Å |
| 246 | V | 89.8 | Confident | 80.8 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 134.8 | 173.3 | 171.6 | 0 | 0 | 0 | 0 | 108.6 | I167 S170 V172 I220 V228 V229 V231 | I167-V246 HydrophobicContact CD1-CG2 4.28Å; I167-V246 HydrophobicContact CG2-CG2 4.02Å; S170-V246 CarbonylContact O-C 3.57Å; S170-V246 WeakPolarHBondContact O-CA 3.27Å; V172-V246 HydrophobicContact CG1-CG1 4.39Å; V172-V246 HydrophobicContact CG2-CG1 3.74Å; I220-V246 HydrophobicContact CD1-CG1 4.25Å; I220-V246 HydrophobicContact CD1-CG2 4.29Å; I220-V246 HydrophobicContact CG2-CG1 4.3Å; V228-V246 WeakPolarHBondContact CA-O 3.38Å; V229-V246 HydrophobicContact CG2-CB 3.86Å; V229-V246 HydrophobicContact CG2-CG1 4.45Å; V229-V246 WeakPolarHBondContact CG2-O 3.03Å; V229-V246 PolarHBondContact N-O 3.13Å; V229-V246 PolarHBondContact O-N 3.39Å; V231-V246 HydrophobicContact CG2-CB 4.16Å; V231-V246 HydrophobicContact CG2-CG2 3.68Å |
| 247 | T | 89.8 | Confident | 81.7 | Confident | 38 Ų | 38 | 38.7 Ų | 38.7 | 23% | 0.233 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 119.9 | -179.8 | -57.6 | 0 | 0 | 0 | 0 | 110.2 | S170 V171 V172 V228 | S170-T247 PolarHBondContact O-N 2.77Å; V171-T247 WeakPolarHBondContact CA-O 3.36Å; V172-T247 PolarHBondContact N-O 3.23Å; V228-T247 HydrophobicContact CG2-CG2 4.22Å |
| 248 | Y | 88.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 135.5 | 171.7 | -72.6 | -89.5 | 0 | 0 | 0 | 111.2 | V172 S173 I220 P221 T223 R226 R227 V229 | V172-Y248 HydrophobicContact CG2-CD1 3.61Å; V172-Y248 HydrophobicContact CG2-CE1 3.73Å; V172-Y248 HydrophobicContact CG2-CG 4.12Å; V172-Y248 CarbonylContact O-C 3.47Å; V172-Y248 WeakPolarHBondContact O-CA 2.77Å; S173-Y248 VanDerWaalsContact O-CD1 3.27Å; S173-Y248 WeakPolarHBondContact O-CD1 3.38Å; I220-Y248 HydrophobicContact CG2-CE1 4.23Å; I220-Y248 WeakPolarHBondContact CG2-OH 3.5Å; P221-Y248 VanDerWaalsContact O-CE1 3.26Å; P221-Y248 WeakPolarHBondContact O-CE1 3.45Å; P221-Y248 PolarHBondContact O-OH 3.03Å; T223-Y248 HydrophobicContact CG2-CD1 3.25Å; T223-Y248 HydrophobicContact CG2-CD2 3.75Å; T223-Y248 HydrophobicContact CG2-CE1 3.54Å; T223-Y248 HydrophobicContact CG2-CE2 4Å; T223-Y248 HydrophobicContact CG2-CG 3.34Å; R226-Y248 VanDerWaalsContact CG-O 3.26Å; R226-Y248 WeakPolarHBondContact CG-O 3.42Å; R227-Y248 HydrophobicContact CG-CD2 4.46Å; R227-Y248 PolarHBondContact O-N 3.38Å; V229-Y248 HydrophobicContact CB-CE2 4.44Å; V229-Y248 HydrophobicContact CG1-CD2 4.13Å; V229-Y248 HydrophobicContact CG1-CE2 3.87Å; V229-Y248 HydrophobicContact CG2-CD2 4.18Å; V229-Y248 HydrophobicContact CG2-CE2 3.65Å |
| 249 | Q | 86.8 | Confident | 83.8 | Confident | 46 Ų | 46 | 40.4 Ų | 40.4 | 22% | 0.215 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 159.8 | 178 | -73 | -162.1 | -2.7 | 0 | 0 | 111.7 | V171 V172 S173 L174 F279 | V171-Q249 VanDerWaalsContact CG1-CD 3.42Å; V171-Q249 HydrophobicContact CG1-CG 3.66Å; V172-Q249 PolarHBondContact O-N 2.79Å; S173-Q249 CarbonylContact C-O 3.56Å; S173-Q249 WeakPolarHBondContact CA-O 3.34Å; L174-Q249 WeakPolarHBondContact CG-O 3.44Å; L174-Q249 PolarHBondContact N-O 3.01Å; Q249-F279 HydrophobicContact CB-CE2 3.72Å; Q249-F279 HydrophobicContact CB-CZ 3.81Å; Q249-F279 HydrophobicContact CG-CZ 4.27Å; Q249-F279 VanDerWaalsContact OE1-CZ 3.32Å |
| 250 | P | 86.4 | Confident | 84.5 | Confident | 52 Ų | 52 | 45.1 Ų | 45.1 | 34% | 0.338 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 156.2 | -179.8 | -26 | 35.7 | 0 | 0 | 0 | 114 | ||
| 251 | L | 85 | Confident | 84.7 | Confident | 49 Ų | 49 | 45 Ų | 45 | 26% | 0.257 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -62 | 148.7 | 177.9 | -63.7 | 177.8 | 0 | 0 | 0 | 112 | L174 Y175 | L174-L251 HydrophobicContact CB-CD2 3.77Å; L174-L251 HydrophobicContact CB-CG 4.18Å; L174-L251 HydrophobicContact CD1-CG 4.39Å; Y175-L251 HydrophobicContact CD1-CD2 4Å; Y175-L251 HydrophobicContact CD2-CD1 4.46Å; Y175-L251 HydrophobicContact CD2-CD2 3.28Å; Y175-L251 HydrophobicContact CD2-CG 4.46Å; Y175-L251 HydrophobicContact CE1-CD1 4.24Å; Y175-L251 HydrophobicContact CE1-CD2 4.16Å; Y175-L251 HydrophobicContact CE2-CD1 3.77Å; Y175-L251 HydrophobicContact CE2-CD2 3.46Å; Y175-L251 VanDerWaalsContact CE2-CD2 3.46Å; Y175-L251 HydrophobicContact CE2-CG 4.21Å; Y175-L251 HydrophobicContact CG-CD2 3.56Å |
| 252 | P | 85.6 | Confident | 84.7 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -64.5 | 136.1 | 173.5 | 23.3 | -29.6 | 0 | 0 | 0 | 111.2 | T275 H276 L277 V280 L320 V322 | P252-T275 WeakPolarHBondContact CA-O 3.27Å; P252-H276 WeakPolarHBondContact CB-O 3.44Å; P252-L277 HydrophobicContact CB-CD2 4.26Å; P252-V280 HydrophobicContact CB-CG2 3.91Å; P252-V280 HydrophobicContact CG-CG2 4.03Å; P252-L320 HydrophobicContact CB-CD1 4.21Å; P252-V322 HydrophobicContact CG-CG1 4.47Å; P252-V322 HydrophobicContact CG-CG2 3.39Å |
| 253 | V | 84.1 | Confident | 84.8 | Confident | 72 Ų | 72 | 41.3 Ų | 41.3 | 44% | 0.436 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 124 | 177.2 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | T255 G274 T275 | V253-T255 HydrophobicContact CG1-CG2 4.32Å; V253-G274 CarbonylContact O-C 3.57Å; V253-G274 WeakPolarHBondContact O-CA 3.47Å; V253-T275 PolarHBondContact N-O 3.48Å; V253-T275 PolarHBondContact O-N 3.44Å |
| 254 | C | 85.6 | Confident | 84.8 | Confident | 10 Ų | 10 | 42.8 Ų | 42.8 | 7% | 0.068 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 116.9 | 171.6 | 173.7 | 0 | 0 | 0 | 0 | 109.3 | L320 C329 | C254-L320 HydrophobicContact CB-CD1 4.03Å; C254-C329 HydrophobicContact CB-CB 3.57Å; C254-C329 WeakPolarHBondContact CB-SG 3.38Å; C254-C329 WeakPolarHBondContact SG-CB 3.29Å; C254-C329 CovalentContact SG-SG 2.04Å; C254-C329 PolarHBondContact SG-SG 2.02Å |
| 255 | T | 84.4 | Confident | 84.1 | Confident | 77 Ų | 77 | 44.4 Ų | 44.4 | 47% | 0.472 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | -32.9 | -177.1 | 55.1 | 0 | 0 | 0 | 0 | 112.4 | V253 I273 V331 | V253-T255 HydrophobicContact CG1-CG2 4.32Å; T255-I273 PolarHBondContact N-O 3.22Å; T255-I273 PolarHBondContact OG1-O 2.87Å; T255-V331 WeakPolarHBondContact O-CG2 3.44Å |
| 256 | D | 84.2 | Confident | 83.4 | Confident | 41 Ų | 41 | 41.2 Ų | 41.2 | 22% | 0.219 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 160.2 | -179.9 | -149.5 | -16.5 | 0 | 0 | 0 | 113.2 | R260 I273 | D256-R260 IonicContact OD1-CZ 3.94Å; D256-R260 IonicContact OD1-NE 3.8Å; D256-R260 PolarHBondContact OD1-NE 3.44Å; D256-R260 IonicContact OD1-NH1 3.52Å; D256-R260 IonicContact OD1-NH2 2.91Å; D256-R260 PolarHBondContact OD1-NH2 3.37Å; D256-R260 IonicContact OD2-CZ 3.31Å; D256-R260 IonicContact OD2-NE 3.43Å; D256-R260 IonicContact OD2-NH2 2.74Å; D256-R260 PolarHBondContact OD2-NH2 3.14Å; D256-I273 HydrophobicContact CB-CB 4.14Å; D256-I273 HydrophobicContact CB-CD1 4.47Å; D256-I273 PolarHBondContact N-O 3.24Å; D256-I273 PolarHBondContact O-N 2.6Å |
| 257 | I | 84.3 | Confident | 82.7 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 116.4 | 177.6 | -57.6 | -169.8 | 0 | 0 | 0 | 107.6 | P259 R260 V270 K271 L272 V318 V331 L333 | I257-P259 CarbonylContact O-C 3.56Å; I257-R260 WeakPolarHBondContact O-CG 3.01Å; I257-R260 PolarHBondContact O-N 2.69Å; I257-V270 HydrophobicContact CB-CG1 4.48Å; I257-V270 HydrophobicContact CG2-CG1 3.11Å; I257-K271 CarbonylContact C-O 3.6Å; I257-K271 WeakPolarHBondContact CA-O 3.26Å; I257-L272 HydrophobicContact CB-CD2 4.39Å; I257-L272 HydrophobicContact CD1-CD2 3.94Å; I257-L272 HydrophobicContact CG1-CD2 3.66Å; I257-L272 HydrophobicContact CG2-CD2 4.25Å; I257-V318 HydrophobicContact CD1-CB 4.3Å; I257-V318 HydrophobicContact CD1-CG2 3.91Å; I257-V331 HydrophobicContact CB-CG1 4.09Å; I257-V331 HydrophobicContact CD1-CB 4.24Å; I257-V331 HydrophobicContact CD1-CG1 4.27Å; I257-V331 WeakPolarHBondContact CD1-O 3.45Å; I257-V331 HydrophobicContact CG1-CB 4.05Å; I257-V331 HydrophobicContact CG1-CG1 3.97Å; I257-L333 HydrophobicContact CG2-CD1 3.94Å |
| 258 | V | 83.2 | Confident | 82.2 | Confident | 67 Ų | 67 | 43.6 Ų | 43.6 | 41% | 0.406 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 119.7 | -176.1 | -177.2 | 0 | 0 | 0 | 0 | 110.6 | K271 I273 | V258-K271 PolarHBondContact N-O 2.86Å; V258-K271 WeakPolarHBondContact O-CB 3.39Å; V258-K271 PolarHBondContact O-N 2.7Å; V258-I273 HydrophobicContact CG2-CD1 3.74Å |
| 259 | P | 81.4 | Confident | 81.6 | Confident | 38 Ų | 38 | 48.7 Ų | 48.7 | 25% | 0.247 | 25% | 0.246 | C | C | . | . | S | Bend | cis | -74.1 | 151.5 | -5.7 | 29.9 | -32.8 | 0 | 0 | 0 | 112.7 | I257 I261 | I257-P259 CarbonylContact O-C 3.56Å; P259-I261 PolarHBondContact O-N 2.88Å |
| 260 | R | 82.1 | Confident | 81.2 | Confident | 124 Ų | 124 | 46.6 Ų | 46.6 | 47% | 0.468 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -74.6 | -9.5 | 178.7 | -67.9 | -175.9 | -177.7 | -132.7 | 8.4 | 114.1 | D256 I257 V331 T334 | D256-R260 IonicContact OD1-CZ 3.94Å; D256-R260 IonicContact OD1-NE 3.8Å; D256-R260 PolarHBondContact OD1-NE 3.44Å; D256-R260 IonicContact OD1-NH1 3.52Å; D256-R260 IonicContact OD1-NH2 2.91Å; D256-R260 PolarHBondContact OD1-NH2 3.37Å; D256-R260 IonicContact OD2-CZ 3.31Å; D256-R260 IonicContact OD2-NE 3.43Å; D256-R260 IonicContact OD2-NH2 2.74Å; D256-R260 PolarHBondContact OD2-NH2 3.14Å; I257-R260 WeakPolarHBondContact O-CG 3.01Å; I257-R260 PolarHBondContact O-N 2.69Å; R260-V331 HydrophobicContact CG-CG1 4.49Å; R260-T334 PolarHBondContact O-N 2.7Å |
| 261 | I | 83.8 | Confident | 81 | Confident | 39 Ų | 39 | 46.6 Ų | 46.6 | 20% | 0.2 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 134.5 | -174.7 | -60.2 | 174.1 | 0 | 0 | 0 | 108.6 | P259 R268 T334 L336 K363 L364 | P259-I261 PolarHBondContact O-N 2.88Å; I261-R268 VanDerWaalsContact O-CD 3.27Å; I261-R268 WeakPolarHBondContact O-CD 3.1Å; I261-R268 PolarHBondContact O-NH1 3.29Å; I261-T334 CarbonylContact C-O 3.52Å; I261-T334 WeakPolarHBondContact CA-O 3.01Å; I261-L336 HydrophobicContact CD1-CD1 4.43Å; I261-L336 HydrophobicContact CG2-CB 4.32Å; I261-L336 HydrophobicContact CG2-CD1 3.57Å; I261-L336 HydrophobicContact CG2-CG 3.76Å; I261-K363 WeakPolarHBondContact CD1-O 3.45Å; I261-L364 HydrophobicContact CG2-CD2 3.94Å |
| 262 | S | 82.6 | Confident | 80.8 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 156.3 | 172.2 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | R268 S307 T334 Y335 L336 | S262-R268 WeakPolarHBondContact OG-CB 3.48Å; S262-S307 VanDerWaalsContact OG-CB 3.32Å; S262-S307 WeakPolarHBondContact OG-CB 3.33Å; S262-S307 PolarHBondContact OG-OG 2.81Å; S262-T334 PolarHBondContact N-O 2.89Å; S262-Y335 CarbonylContact O-C 3.53Å; S262-Y335 WeakPolarHBondContact O-CA 3.29Å; S262-L336 PolarHBondContact O-N 2.91Å |
| 263 | W | 81 | Confident | 80.7 | Confident | 18 Ų | 18 | 46.9 Ų | 46.9 | 7% | 0.068 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 149.9 | 166.1 | 23.6 | 79.7 | 0 | 0 | 0 | 110.9 | S265 G266 R268 Y335 L336 D338 L364 M366 E370 L415 | W263-S265 VanDerWaalsContact C-N 3.27Å; W263-S265 PolarHBondContact O-N 3.15Å; W263-G266 PolarHBondContact NE1-O 2.92Å; W263-G266 PolarHBondContact O-N 2.81Å; W263-R268 HydrophobicContact CD2-CB 4.42Å; W263-R268 HydrophobicContact CH2-CG 4.08Å; W263-R268 HydrophobicContact CZ2-CB 3.85Å; W263-R268 HydrophobicContact CZ2-CG 3.54Å; W263-Y335 WeakPolarHBondContact O-CD1 3.43Å; W263-L336 CarbonylContact C-O 3.5Å; W263-D338 WeakPolarHBondContact CB-OD1 3.4Å; W263-L364 HydrophobicContact CE3-CD1 4.36Å; W263-L364 HydrophobicContact CE3-CD2 4.35Å; W263-M366 HydrophobicContact CZ3-CG 3.94Å; W263-M366 HydrophobicContact CZ3-SD 4.03Å; W263-E370 HydrophobicContact CH2-CB 4.14Å; W263-E370 HydrophobicContact CH2-CG 4.46Å; W263-L415 HydrophobicContact CH2-CD2 4.02Å; W263-L415 HydrophobicContact CZ2-CD2 4.09Å; W263-L415 HydrophobicContact CZ3-CD2 4.27Å |
| 264 | R | 77.3 | Confident | 80.6 | Confident | 138 Ų | 138 | 43.8 Ų | 43.8 | 52% | 0.521 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -31.1 | -174.9 | -173.7 | 179.5 | -70.1 | -176.9 | -2.3 | 112.3 | G266 N310 L336 D338 | R264-G266 PolarHBondContact O-N 3.44Å; R264-N310 PolarHBondContact O-N 3.26Å; R264-L336 WeakPolarHBondContact CB-O 3.13Å; R264-L336 PolarHBondContact N-O 2.72Å; R264-D338 PolarHBondContact N-OD1 2.76Å |
| 265 | S | 72 | Confident | 80.5 | Confident | 52 Ų | 52 | 46.6 Ų | 46.6 | 36% | 0.364 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -5.3 | 171.4 | 50.5 | 0 | 0 | 0 | 0 | 114.8 | W263 V309 D338 | W263-S265 VanDerWaalsContact C-N 3.27Å; W263-S265 PolarHBondContact O-N 3.15Å; S265-V309 VanDerWaalsContact O-CG2 3.3Å; S265-V309 WeakPolarHBondContact O-CG2 3.38Å; S265-D338 WeakPolarHBondContact CB-OD2 3.42Å; S265-D338 PolarHBondContact N-OD1 2.68Å; S265-D338 PolarHBondContact OG-OD1 2.04Å; S265-D338 PolarHBondContact OG-OD2 2.75Å |
| 266 | G | 74.4 | Confident | 80.4 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | trans | 69.6 | -165.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | W263 R264 R268 S307 E308 | W263-G266 PolarHBondContact NE1-O 2.92Å; W263-G266 PolarHBondContact O-N 2.81Å; R264-G266 PolarHBondContact O-N 3.44Å; G266-R268 VanDerWaalsContact C-N 3.28Å; G266-R268 PolarHBondContact O-N 3.24Å; G266-S307 WeakPolarHBondContact CA-OG 3.21Å; G266-E308 WeakPolarHBondContact CA-O 3.23Å | ||
| 267 | K | 73.3 | Confident | 80.1 | Confident | 84 Ų | 84 | 43.9 Ų | 43.9 | 37% | 0.365 | 21% | 0.213 | S | C | . | . | trans | 61.6 | 27.4 | -178.1 | -51.1 | 175.7 | -175.3 | 167.1 | 0 | 114.8 | W306 S307 L416 | K267-W306 WeakPolarHBondContact O-CZ3 3.2Å; K267-S307 WeakPolarHBondContact CA-O 3.39Å; K267-S307 PolarHBondContact N-O 2.94Å; K267-S307 PolarHBondContact N-OG 3.21Å; K267-S307 VanDerWaalsContact N-OG 3.13Å; K267-L416 HydrophobicContact CB-CD1 4.19Å; K267-L416 HydrophobicContact CD-CB 4.43Å; K267-L416 WeakPolarHBondContact O-CD1 3.45Å | ||
| 268 | R | 79.4 | Confident | 79.7 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.015 | 23% | 0.225 | C | C | . | . | trans | -76.9 | 136.5 | 163 | -165.9 | 167.9 | -172 | 170.9 | 8.9 | 108.8 | I261 S262 W263 G266 V270 W306 S307 L364 E370 | I261-R268 VanDerWaalsContact O-CD 3.27Å; I261-R268 WeakPolarHBondContact O-CD 3.1Å; I261-R268 PolarHBondContact O-NH1 3.29Å; S262-R268 WeakPolarHBondContact OG-CB 3.48Å; W263-R268 HydrophobicContact CD2-CB 4.42Å; W263-R268 HydrophobicContact CH2-CG 4.08Å; W263-R268 HydrophobicContact CZ2-CB 3.85Å; W263-R268 HydrophobicContact CZ2-CG 3.54Å; G266-R268 VanDerWaalsContact C-N 3.28Å; G266-R268 PolarHBondContact O-N 3.24Å; R268-V270 HydrophobicContact CB-CG2 4.44Å; R268-V270 PolarHBondContact O-N 3.14Å; R268-W306 WeakPolarHBondContact O-CA 3.18Å; R268-S307 PolarHBondContact N-OG 3.27Å; R268-S307 PolarHBondContact O-N 3.29Å; R268-L364 PolarHBondContact NH1-O 3.11Å; R268-L364 PolarHBondContact NH2-O 2.94Å; R268-L364 VanDerWaalsContact NH2-O 3.14Å; R268-E370 IonicContact CZ-OE1 3.67Å; R268-E370 VanDerWaalsContact CZ-OE1 3.32Å; R268-E370 IonicContact CZ-OE2 2.8Å; R268-E370 IonicContact NE-OE1 2.66Å; R268-E370 PolarHBondContact NE-OE1 2.99Å; R268-E370 IonicContact NH2-OE1 3.51Å; R268-E370 PolarHBondContact NH2-OE1 3.04Å; R268-E370 IonicContact NH2-OE2 3.28Å; R268-E370 PolarHBondContact NH2-OE2 3.2Å | ||
| 269 | K | 76.8 | Confident | 79.7 | Confident | 108 Ų | 108 | 44.4 Ų | 44.4 | 47% | 0.47 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 122.4 | 172.4 | -168.3 | 176.5 | 179.3 | -179.5 | 0 | 108.7 | Y304 I305 W306 | K269-Y304 HydrophobicContact CD-CD1 4.47Å; K269-Y304 HydrophobicContact CG-CD1 4.37Å; K269-I305 CarbonylContact C-O 3.41Å; K269-I305 WeakPolarHBondContact CA-O 3Å; K269-W306 HydrophobicContact CB-CE3 3.95Å; K269-W306 HydrophobicContact CB-CH2 3.91Å; K269-W306 HydrophobicContact CB-CZ3 3.6Å; K269-W306 HydrophobicContact CD-CH2 4.28Å; K269-W306 HydrophobicContact CD-CZ2 4.42Å; K269-W306 HydrophobicContact CG-CH2 4.31Å; K269-W306 HydrophobicContact CG-CZ2 4.47Å; K269-W306 HydrophobicContact CG-CZ3 4.39Å |
| 270 | V | 79.5 | Confident | 79.7 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 136.6 | -176.6 | -178.2 | 0 | 0 | 0 | 0 | 109.4 | I257 R268 Y304 I305 L333 | I257-V270 HydrophobicContact CB-CG1 4.48Å; I257-V270 HydrophobicContact CG2-CG1 3.11Å; R268-V270 HydrophobicContact CB-CG2 4.44Å; R268-V270 PolarHBondContact O-N 3.14Å; V270-Y304 CarbonylContact O-C 3.59Å; V270-Y304 WeakPolarHBondContact O-CA 3.02Å; V270-I305 HydrophobicContact CB-CG1 3.98Å; V270-I305 PolarHBondContact N-O 3.39Å; V270-I305 PolarHBondContact O-N 3.3Å; V270-L333 HydrophobicContact CG1-CD1 4.34Å; V270-L333 HydrophobicContact CG2-CD1 4.22Å |
| 271 | K | 81.6 | Confident | 79.2 | Confident | 53 Ų | 53 | 39.5 Ų | 39.5 | 23% | 0.23 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 120.4 | 178.5 | -174.5 | -175.3 | -180 | -174.1 | 0 | 109.7 | I257 V258 I273 D302 C303 Y304 | I257-K271 CarbonylContact C-O 3.6Å; I257-K271 WeakPolarHBondContact CA-O 3.26Å; V258-K271 PolarHBondContact N-O 2.86Å; V258-K271 WeakPolarHBondContact O-CB 3.39Å; V258-K271 PolarHBondContact O-N 2.7Å; K271-I273 HydrophobicContact CG-CG1 4.45Å; K271-D302 VanDerWaalsContact CE-CB 3.46Å; K271-D302 WeakPolarHBondContact CE-OD1 3.12Å; K271-D302 WeakPolarHBondContact CE-OD2 3.41Å; K271-D302 IonicContact NZ-OD1 3.27Å; K271-D302 PolarHBondContact NZ-OD1 3.28Å; K271-D302 IonicContact NZ-OD2 3.89Å; K271-D302 PolarHBondContact NZ-OD2 2.96Å; K271-C303 CarbonylContact C-O 3.46Å; K271-C303 WeakPolarHBondContact CA-O 3.47Å; K271-Y304 HydrophobicContact CB-CD1 4.04Å; K271-Y304 HydrophobicContact CB-CE1 3.89Å; K271-Y304 HydrophobicContact CD-CE1 4.1Å; K271-Y304 HydrophobicContact CG-CD1 4.27Å; K271-Y304 HydrophobicContact CG-CE1 3.87Å |
| 272 | L | 81 | Confident | 78.6 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 131 | 169.5 | -59.1 | 178.6 | 0 | 0 | 0 | 109.2 | I257 L283 D302 C303 I305 V318 L320 | I257-L272 HydrophobicContact CB-CD2 4.39Å; I257-L272 HydrophobicContact CD1-CD2 3.94Å; I257-L272 HydrophobicContact CG1-CD2 3.66Å; I257-L272 HydrophobicContact CG2-CD2 4.25Å; L272-L283 HydrophobicContact CD1-CD1 3.6Å; L272-L283 HydrophobicContact CD1-CD2 3.72Å; L272-L283 HydrophobicContact CD1-CG 4.38Å; L272-D302 WeakPolarHBondContact O-CA 3.41Å; L272-C303 HydrophobicContact CB-CB 4.39Å; L272-C303 PolarHBondContact N-O 3.18Å; L272-C303 PolarHBondContact O-N 2.03Å; L272-C303 VanDerWaalsContact O-N 3.11Å; L272-I305 HydrophobicContact CD1-CD1 4.29Å; L272-I305 HydrophobicContact CD1-CG2 4.44Å; L272-I305 HydrophobicContact CD2-CD1 4.2Å; L272-I305 HydrophobicContact CG-CD1 4.29Å; L272-V318 HydrophobicContact CD1-CG1 4.35Å; L272-V318 HydrophobicContact CD2-CG1 4.41Å; L272-L320 HydrophobicContact CD1-CD2 4.07Å |
| 273 | I | 82.8 | Confident | 78.1 | Confident | 54 Ų | 54 | 38 Ų | 38 | 28% | 0.277 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 133.8 | 177.2 | -56.5 | 176.7 | 0 | 0 | 0 | 107.8 | T255 D256 V258 K271 | T255-I273 PolarHBondContact N-O 3.22Å; T255-I273 PolarHBondContact OG1-O 2.87Å; D256-I273 HydrophobicContact CB-CB 4.14Å; D256-I273 HydrophobicContact CB-CD1 4.47Å; D256-I273 PolarHBondContact N-O 3.24Å; D256-I273 PolarHBondContact O-N 2.6Å; V258-I273 HydrophobicContact CG2-CD1 3.74Å; K271-I273 HydrophobicContact CG-CG1 4.45Å |
| 274 | G | 83.1 | Confident | 77.4 | Confident | 8 Ų | 8 | 39.6 Ų | 39.6 | 8% | 0.082 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.6 | -167.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | V253 R301 | V253-G274 CarbonylContact O-C 3.57Å; V253-G274 WeakPolarHBondContact O-CA 3.47Å; G274-R301 PolarHBondContact N-O 2.88Å |
| 275 | T | 83.3 | Confident | 76.9 | Confident | 69 Ų | 69 | 34 Ų | 34 | 42% | 0.423 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 143.4 | 176.5 | 59.1 | 0 | 0 | 0 | 0 | 110.4 | P252 V253 L277 | P252-T275 WeakPolarHBondContact CA-O 3.27Å; V253-T275 PolarHBondContact N-O 3.48Å; V253-T275 PolarHBondContact O-N 3.44Å; T275-L277 PolarHBondContact O-N 3.47Å |
| 276 | H | 80.8 | Confident | 76.4 | Confident | 56 Ų | 56 | 34.2 Ų | 34.2 | 26% | 0.259 | 17% | 0.174 | S | C | . | . | S | Bend | trans | 60.1 | 25.5 | 178.4 | -50.5 | 102.6 | 0 | 0 | 0 | 114.1 | P252 E278 F279 | P252-H276 WeakPolarHBondContact CB-O 3.44Å; H276-E278 WeakPolarHBondContact CA-OE2 2.99Å; H276-E278 PolarHBondContact O-N 2.97Å; H276-E278 VanDerWaalsContact O-N 3.17Å; H276-F279 HydrophobicContact CB-CD2 3.78Å; H276-F279 HydrophobicContact CB-CE2 3.86Å; H276-F279 WeakPolarHBondContact O-CD2 3.44Å; H276-F279 PolarHBondContact O-N 3.14Å |
| 277 | L | 79.8 | Confident | 75.7 | Confident | 5 Ų | 5 | 38.5 Ų | 38.5 | 3% | 0.026 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -67.1 | -13.1 | -177.9 | -64.9 | -175 | 0 | 0 | 0 | 113.1 | P252 T275 F279 V280 L320 | P252-L277 HydrophobicContact CB-CD2 4.26Å; T275-L277 PolarHBondContact O-N 3.47Å; L277-F279 PolarHBondContact O-N 3.48Å; L277-V280 HydrophobicContact CD2-CG2 4.27Å; L277-V280 WeakPolarHBondContact O-CB 3.37Å; L277-V280 WeakPolarHBondContact O-CG2 3.33Å; L277-V280 PolarHBondContact O-N 3.45Å; L277-L320 HydrophobicContact CD2-CD1 4.02Å |
| 278 | E | 75.4 | Confident | 74.7 | Confident | 54 Ų | 54 | 35.2 Ų | 35.2 | 25% | 0.252 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -61.7 | -19.6 | 172 | 62.2 | -95.1 | -136.8 | 0 | 0 | 113.9 | H276 K300 | H276-E278 WeakPolarHBondContact CA-OE2 2.99Å; H276-E278 PolarHBondContact O-N 2.97Å; H276-E278 VanDerWaalsContact O-N 3.17Å; E278-K300 WeakPolarHBondContact OE1-CG 3.45Å; E278-K300 WeakPolarHBondContact OE2-CA 3.37Å |
| 279 | F | 82.8 | Confident | 73 | Confident | 23 Ų | 23 | 43 Ų | 43 | 10% | 0.101 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -87.2 | -6 | 177.6 | -57.4 | -48.8 | 0 | 0 | 0 | 114.1 | V171 Q249 H276 L277 D281 | V171-F279 HydrophobicContact CG1-CE1 4.22Å; V171-F279 HydrophobicContact CG1-CZ 4.02Å; Q249-F279 HydrophobicContact CB-CE2 3.72Å; Q249-F279 HydrophobicContact CB-CZ 3.81Å; Q249-F279 HydrophobicContact CG-CZ 4.27Å; Q249-F279 VanDerWaalsContact OE1-CZ 3.32Å; H276-F279 HydrophobicContact CB-CD2 3.78Å; H276-F279 HydrophobicContact CB-CE2 3.86Å; H276-F279 WeakPolarHBondContact O-CD2 3.44Å; H276-F279 PolarHBondContact O-N 3.14Å; L277-F279 PolarHBondContact O-N 3.48Å; F279-D281 PolarHBondContact O-N 2.93Å |
| 280 | V | 80.6 | Confident | 71.7 | Confident | 13 Ų | 13 | 45.5 Ų | 45.5 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | trans | -74.7 | 126.4 | -178.4 | -175.1 | 0 | 0 | 0 | 0 | 109.4 | P252 L277 G282 L283 L294 L320 K321 V322 | P252-V280 HydrophobicContact CB-CG2 3.91Å; P252-V280 HydrophobicContact CG-CG2 4.03Å; L277-V280 HydrophobicContact CD2-CG2 4.27Å; L277-V280 WeakPolarHBondContact O-CB 3.37Å; L277-V280 WeakPolarHBondContact O-CG2 3.33Å; L277-V280 PolarHBondContact O-N 3.45Å; V280-G282 WeakPolarHBondContact CG1-O 3.48Å; V280-L283 HydrophobicContact CG1-CD2 4.05Å; V280-L283 HydrophobicContact CG1-CG 4.39Å; V280-L294 HydrophobicContact CB-CD1 4.13Å; V280-L294 HydrophobicContact CG1-CD1 3.9Å; V280-L294 WeakPolarHBondContact O-CD1 3.16Å; V280-L320 HydrophobicContact CG1-CB 4.04Å; V280-L320 HydrophobicContact CG2-CB 4.15Å; V280-L320 HydrophobicContact CG2-CD1 4.21Å; V280-K321 WeakPolarHBondContact CG1-O 3.36Å; V280-V322 HydrophobicContact CG2-CG2 4.31Å | ||
| 281 | D | 71.9 | Confident | 70.1 | Confident | 47 Ų | 47 | 50.6 Ų | 50.6 | 25% | 0.251 | 26% | 0.256 | S | S | . | . | trans | -90.3 | -25.1 | -179.6 | -71.9 | -43.3 | 0 | 0 | 0 | 112.8 | K177 F279 K321 A323 | K177-D281 IonicContact NZ-OD1 2.69Å; K177-D281 PolarHBondContact NZ-OD1 3.31Å; F279-D281 PolarHBondContact O-N 2.93Å; D281-K321 PolarHBondContact N-O 3.45Å; D281-A323 WeakPolarHBondContact OD2-CA 3.1Å; D281-A323 PolarHBondContact OD2-N 2.03Å | ||
| 282 | G | 72.6 | Confident | 68.7 | Low | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.3 | 170.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V280 K321 | V280-G282 WeakPolarHBondContact CG1-O 3.48Å; G282-K321 PolarHBondContact N-O 2.87Å; G282-K321 WeakPolarHBondContact O-CB 3.29Å; G282-K321 PolarHBondContact O-N 3.24Å |
| 283 | L | 71 | Confident | 67.2 | Low | 7 Ų | 7 | 58.5 Ų | 58.5 | 4% | 0.037 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 140.2 | 178.7 | -67.4 | 168.5 | 0 | 0 | 0 | 109.9 | L272 V280 V292 L294 I305 L320 | L272-L283 HydrophobicContact CD1-CD1 3.6Å; L272-L283 HydrophobicContact CD1-CD2 3.72Å; L272-L283 HydrophobicContact CD1-CG 4.38Å; V280-L283 HydrophobicContact CG1-CD2 4.05Å; V280-L283 HydrophobicContact CG1-CG 4.39Å; L283-V292 PolarHBondContact N-O 2.96Å; L283-V292 PolarHBondContact O-N 3.28Å; L283-L294 HydrophobicContact CD1-CD2 3.46Å; L283-L294 VanDerWaalsContact CD1-CD2 3.46Å; L283-L294 HydrophobicContact CG-CD2 3.97Å; L283-I305 HydrophobicContact CB-CG2 4.15Å; L283-I305 HydrophobicContact CD1-CB 4.49Å; L283-I305 HydrophobicContact CD1-CG2 3.01Å; L283-I305 HydrophobicContact CG-CG2 4.13Å; L283-L320 HydrophobicContact CD2-CB 4.39Å; L283-L320 HydrophobicContact CD2-CD2 3.25Å; L283-L320 HydrophobicContact CD2-CG 4.38Å |
| 284 | M | 66.9 | Low | 65.7 | Low | 51 Ų | 51 | 57.6 Ų | 57.6 | 25% | 0.251 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 143 | -179.9 | -62.1 | -176.4 | 73.1 | 0 | 0 | 110.1 | F319 K321 T326 | M284-F319 HydrophobicContact CB-CB 4.26Å; M284-F319 PolarHBondContact N-O 2.86Å; M284-F319 PolarHBondContact O-N 3.15Å; M284-K321 HydrophobicContact SD-CD 4.37Å; M284-T326 HydrophobicContact SD-CG2 4.38Å |
| 285 | Q | 66.7 | Low | 63.9 | Low | 21 Ų | 21 | 61 Ų | 61 | 10% | 0.098 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 148 | 173 | -68.5 | 178 | 31.9 | 0 | 0 | 109.1 | H287 A288 W306 Y335 | Q285-H287 PolarHBondContact O-N 3.41Å; Q285-A288 PolarHBondContact O-N 3.08Å; Q285-W306 PolarHBondContact NE2-O 2.77Å; Q285-W306 VanDerWaalsContact NE2-O 3.1Å; Q285-Y335 PolarHBondContact OE1-OH 2.98Å |
| 286 | S | 61.2 | Low | 62.2 | Low | 56 Ų | 56 | 69.9 Ų | 69.9 | 39% | 0.392 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -12.6 | -170 | 51.2 | 0 | 0 | 0 | 0 | 117.3 | T317 | S286-T317 PolarHBondContact N-O 3.4Š|
| 287 | H | 58.9 | Low | 60.6 | Low | 92 Ų | 92 | 74.8 Ų | 74.8 | 43% | 0.426 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | -3.3 | -176.5 | -57.5 | -63.5 | 0 | 0 | 0 | 114.1 | Q285 | Q285-H287 PolarHBondContact O-N 3.41Š|
| 288 | A | 51.9 | Low | 59.3 | Low | 16 Ų | 16 | 76.7 Ų | 76.7 | 13% | 0.132 | 39% | 0.385 | C | S | . | . | trans | -106 | 125.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q285 Q290 E308 | Q285-A288 PolarHBondContact O-N 3.08Å; A288-Q290 VanDerWaalsContact C-N 3.29Å; A288-E308 VanDerWaalsContact CB-CD 3.49Å; A288-E308 WeakPolarHBondContact CB-OE1 3.45Å; A288-E308 WeakPolarHBondContact CB-OE2 2.95Å | ||
| 289 | Q | 45.6 | Very low | 58.5 | Low | 168 Ų | 168 | 77.2 Ų | 77.2 | 79% | 0.785 | 40% | 0.395 | S | S | * | . | trans | -84.4 | -0.3 | 169.6 | -76.9 | -175.4 | -32.5 | 0 | 0 | 113.1 | ||||
| 290 | Q | 48.4 | Very low | 57.2 | Low | 159 Ų | 159 | 83.3 Ų | 83.3 | 74% | 0.743 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -109.4 | 137.4 | -176.8 | -83.7 | 175.4 | -30.5 | 0 | 0 | 112.8 | A288 | A288-Q290 VanDerWaalsContact C-N 3.29Š|
| 291 | Q | 46 | Very low | 56 | Low | 109 Ų | 109 | 91.6 Ų | 91.6 | 51% | 0.509 | 45% | 0.451 | S | S | . | . | trans | -69.5 | 126.4 | 172.8 | -99.4 | 173 | -53 | 0 | 0 | 110.5 | K321 | Q291-K321 HydrophobicContact CG-CD 4.32Š| ||
| 292 | V | 51.7 | Low | 55.5 | Low | 61 Ų | 61 | 91.3 Ų | 91.3 | 37% | 0.37 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 109.9 | 161.8 | -177.5 | 0 | 0 | 0 | 0 | 107.6 | L283 L294 | L283-V292 PolarHBondContact N-O 2.96Å; L283-V292 PolarHBondContact O-N 3.28Å; V292-L294 PolarHBondContact O-N 3.48Å |
| 293 | L | 49.3 | Very low | 55.3 | Low | 158 Ų | 158 | 91.7 Ų | 91.7 | 83% | 0.827 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 129.8 | 170.6 | -92.2 | 131.2 | 0 | 0 | 0 | 109.5 | ||
| 294 | L | 52.7 | Low | 55.4 | Low | 35 Ų | 35 | 96.6 Ų | 96.6 | 18% | 0.183 | 47% | 0.471 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 140.8 | 177.9 | -77.9 | 169.1 | 0 | 0 | 0 | 111.5 | V280 L283 V292 C303 | V280-L294 HydrophobicContact CB-CD1 4.13Å; V280-L294 HydrophobicContact CG1-CD1 3.9Å; V280-L294 WeakPolarHBondContact O-CD1 3.16Å; L283-L294 HydrophobicContact CD1-CD2 3.46Å; L283-L294 VanDerWaalsContact CD1-CD2 3.46Å; L283-L294 HydrophobicContact CG-CD2 3.97Å; V292-L294 PolarHBondContact O-N 3.48Å; L294-C303 WeakPolarHBondContact CD2-SG 3.49Å |
| 295 | P | 45.2 | Very low | 55.6 | Low | 79 Ų | 79 | 94.6 Ų | 94.6 | 51% | 0.513 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 140.9 | 168.7 | 24.7 | -29.8 | 0 | 0 | 0 | 110.2 | N297 | P295-N297 PolarHBondContact O-N 3.3Š|
| 296 | R | 45.9 | Very low | 55.9 | Low | 257 Ų | 257 | 100.2 Ų | 100.2 | 97% | 0.97 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -63.2 | 21.1 | -168.9 | -143.7 | 178.2 | -130.7 | -170.1 | 1.4 | 116.2 | ||
| 297 | N | 48.9 | Very low | 56.4 | Low | 159 Ų | 159 | 97.7 Ų | 97.7 | 85% | 0.85 | 46% | 0.464 | S | S | * | . | trans | -150.7 | 47.7 | -170 | -128.9 | 0.6 | 0 | 0 | 0 | 112.9 | P295 S299 | P295-N297 PolarHBondContact O-N 3.3Å; N297-S299 PolarHBondContact O-N 3.21Å | ||
| 298 | S | 51.3 | Low | 57 | Low | 45 Ų | 45 | 96.2 Ų | 96.2 | 32% | 0.315 | 46% | 0.457 | S | S | . | . | trans | -74.1 | 109.7 | 169.5 | 41.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 299 | S | 59.7 | Low | 57.6 | Low | 64 Ų | 64 | 100 Ų | 100 | 45% | 0.448 | 48% | 0.479 | S | S | . | . | B | Isolated β-bridge | trans | -67.2 | 156.4 | 165.4 | 72.5 | 0 | 0 | 0 | 0 | 109.8 | N297 R301 D302 | N297-S299 PolarHBondContact O-N 3.21Å; S299-R301 PolarHBondContact O-N 2.94Å; S299-D302 PolarHBondContact O-N 3.35Å |
| 300 | K | 55 | Low | 58.5 | Low | 152 Ų | 152 | 92.3 Ų | 92.3 | 66% | 0.661 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -8.2 | -178.2 | -68 | -171.6 | 170.3 | 178.1 | 0 | 116.6 | E278 | E278-K300 WeakPolarHBondContact OE1-CG 3.45Å; E278-K300 WeakPolarHBondContact OE2-CA 3.37Å |
| 301 | R | 55.1 | Low | 58.9 | Low | 187 Ų | 187 | 88.5 Ų | 88.5 | 71% | 0.706 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.7 | -24.7 | -174.3 | -62.6 | -170.4 | -163.9 | -177.5 | 5.3 | 115.4 | G274 S299 | G274-R301 PolarHBondContact N-O 2.88Å; S299-R301 PolarHBondContact O-N 2.94Å |
| 302 | D | 62.3 | Low | 59.5 | Low | 40 Ų | 40 | 88.3 Ų | 88.3 | 21% | 0.214 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 129.2 | -164.7 | -65 | -28.3 | 0 | 0 | 0 | 112 | K271 L272 S299 | K271-D302 VanDerWaalsContact CE-CB 3.46Å; K271-D302 WeakPolarHBondContact CE-OD1 3.12Å; K271-D302 WeakPolarHBondContact CE-OD2 3.41Å; K271-D302 IonicContact NZ-OD1 3.27Å; K271-D302 PolarHBondContact NZ-OD1 3.28Å; K271-D302 IonicContact NZ-OD2 3.89Å; K271-D302 PolarHBondContact NZ-OD2 2.96Å; L272-D302 WeakPolarHBondContact O-CA 3.41Å; S299-D302 PolarHBondContact O-N 3.35Å |
| 303 | C | 68.1 | Low | 59.7 | Low | 10 Ų | 10 | 92.1 Ų | 92.1 | 7% | 0.068 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 140.1 | 175.6 | -175.2 | 0 | 0 | 0 | 0 | 111.3 | K271 L272 L294 | K271-C303 CarbonylContact C-O 3.46Å; K271-C303 WeakPolarHBondContact CA-O 3.47Å; L272-C303 HydrophobicContact CB-CB 4.39Å; L272-C303 PolarHBondContact N-O 3.18Å; L272-C303 PolarHBondContact O-N 2.03Å; L272-C303 VanDerWaalsContact O-N 3.11Å; L294-C303 WeakPolarHBondContact CD2-SG 3.49Å |
| 304 | Y | 71.6 | Confident | 60.4 | Low | 110 Ų | 110 | 86.4 Ų | 86.4 | 43% | 0.431 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 135 | -178.4 | -64 | -85.2 | 0 | 0 | 0 | 111.8 | K269 V270 K271 | K269-Y304 HydrophobicContact CD-CD1 4.47Å; K269-Y304 HydrophobicContact CG-CD1 4.37Å; V270-Y304 CarbonylContact O-C 3.59Å; V270-Y304 WeakPolarHBondContact O-CA 3.02Å; K271-Y304 HydrophobicContact CB-CD1 4.04Å; K271-Y304 HydrophobicContact CB-CE1 3.89Å; K271-Y304 HydrophobicContact CD-CE1 4.1Å; K271-Y304 HydrophobicContact CG-CD1 4.27Å; K271-Y304 HydrophobicContact CG-CE1 3.87Å |
| 305 | I | 72.8 | Confident | 61.4 | Low | 8 Ų | 8 | 90.7 Ų | 90.7 | 4% | 0.041 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 164.1 | 173.4 | 58.4 | 176.4 | 0 | 0 | 0 | 112.5 | K269 V270 L272 L283 V318 | K269-I305 CarbonylContact C-O 3.41Å; K269-I305 WeakPolarHBondContact CA-O 3Å; V270-I305 HydrophobicContact CB-CG1 3.98Å; V270-I305 PolarHBondContact N-O 3.39Å; V270-I305 PolarHBondContact O-N 3.3Å; L272-I305 HydrophobicContact CD1-CD1 4.29Å; L272-I305 HydrophobicContact CD1-CG2 4.44Å; L272-I305 HydrophobicContact CD2-CD1 4.2Å; L272-I305 HydrophobicContact CG-CD1 4.29Å; L283-I305 HydrophobicContact CB-CG2 4.15Å; L283-I305 HydrophobicContact CD1-CB 4.49Å; L283-I305 HydrophobicContact CD1-CG2 3.01Å; L283-I305 HydrophobicContact CG-CG2 4.13Å; I305-V318 HydrophobicContact CD1-CG1 4.16Å; I305-V318 HydrophobicContact CD1-CG2 4.35Å |
| 306 | W | 72.7 | Confident | 62.8 | Low | 140 Ų | 140 | 87.2 Ų | 87.2 | 53% | 0.53 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 131.8 | 165.4 | -60.4 | 99.9 | 0 | 0 | 0 | 108.6 | K267 R268 K269 Q285 L416 | K267-W306 WeakPolarHBondContact O-CZ3 3.2Å; R268-W306 WeakPolarHBondContact O-CA 3.18Å; K269-W306 HydrophobicContact CB-CE3 3.95Å; K269-W306 HydrophobicContact CB-CH2 3.91Å; K269-W306 HydrophobicContact CB-CZ3 3.6Å; K269-W306 HydrophobicContact CD-CH2 4.28Å; K269-W306 HydrophobicContact CD-CZ2 4.42Å; K269-W306 HydrophobicContact CG-CH2 4.31Å; K269-W306 HydrophobicContact CG-CZ2 4.47Å; K269-W306 HydrophobicContact CG-CZ3 4.39Å; Q285-W306 PolarHBondContact NE2-O 2.77Å; Q285-W306 VanDerWaalsContact NE2-O 3.1Å; W306-L416 HydrophobicContact CZ3-CD1 4.16Å |
| 307 | S | 71.6 | Confident | 64.4 | Low | 2 Ų | 2 | 76.7 Ų | 76.7 | 1% | 0.014 | 41% | 0.408 | C | S | . | . | trans | -64.3 | 155.6 | 172 | 59.6 | 0 | 0 | 0 | 0 | 111.1 | S262 G266 K267 R268 | S262-S307 VanDerWaalsContact OG-CB 3.32Å; S262-S307 WeakPolarHBondContact OG-CB 3.33Å; S262-S307 PolarHBondContact OG-OG 2.81Å; G266-S307 WeakPolarHBondContact CA-OG 3.21Å; K267-S307 WeakPolarHBondContact CA-O 3.39Å; K267-S307 PolarHBondContact N-O 2.94Å; K267-S307 PolarHBondContact N-OG 3.21Å; K267-S307 VanDerWaalsContact N-OG 3.13Å; R268-S307 PolarHBondContact N-OG 3.27Å; R268-S307 PolarHBondContact O-N 3.29Å | ||
| 308 | E | 70.6 | Confident | 65.9 | Low | 62 Ų | 62 | 69.2 Ų | 69.2 | 29% | 0.29 | 37% | 0.368 | S | S | . | . | trans | -105 | 170.3 | 174.7 | -70.4 | -160.1 | -172.6 | 0 | 0 | 112.7 | G266 A288 N310 Y335 | G266-E308 WeakPolarHBondContact CA-O 3.23Å; A288-E308 VanDerWaalsContact CB-CD 3.49Å; A288-E308 WeakPolarHBondContact CB-OE1 3.45Å; A288-E308 WeakPolarHBondContact CB-OE2 2.95Å; E308-N310 PolarHBondContact O-N 3.39Å; E308-Y335 PolarHBondContact N-OH 3.45Å; E308-Y335 WeakPolarHBondContact O-CE1 3.21Å; E308-Y335 PolarHBondContact O-OH 3.43Å | ||
| 309 | V | 66.1 | Low | 67.4 | Low | 96 Ų | 96 | 70 Ų | 70 | 58% | 0.582 | 37% | 0.366 | S | S | * | . | trans | -69 | 129.7 | 178.4 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | S265 | S265-V309 VanDerWaalsContact O-CG2 3.3Å; S265-V309 WeakPolarHBondContact O-CG2 3.38Å | ||
| 310 | N | 64.1 | Low | 68.5 | Low | 6 Ų | 6 | 67 Ų | 67 | 3% | 0.032 | 35% | 0.345 | C | S | . | . | trans | -110.7 | 106.8 | 177.3 | -162.5 | -22 | 0 | 0 | 0 | 111.3 | R264 E308 K313 Y335 | R264-N310 PolarHBondContact O-N 3.26Å; E308-N310 PolarHBondContact O-N 3.39Å; N310-K313 PolarHBondContact ND2-O 3.27Å; N310-K313 PolarHBondContact OD1-N 3.1Å; N310-K313 PolarHBondContact OD1-O 3.25Å; N310-Y335 HydrophobicContact CB-CD1 3.91Å; N310-Y335 HydrophobicContact CB-CD2 3.91Å; N310-Y335 HydrophobicContact CB-CE1 4.17Å; N310-Y335 HydrophobicContact CB-CE2 4.15Å; N310-Y335 HydrophobicContact CB-CG 3.76Å; N310-Y335 VanDerWaalsContact ND2-CD2 3.27Å; N310-Y335 WeakPolarHBondContact ND2-CD2 3.46Å | ||
| 311 | G | 56.7 | Low | 69.7 | Low | 79 Ų | 79 | 62.1 Ų | 62.1 | 81% | 0.814 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -83.3 | -13.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 312 | S | 57.4 | Low | 71.1 | Confident | 105 Ų | 105 | 53.3 Ų | 53.3 | 73% | 0.734 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -153.1 | -13.4 | -172.3 | 59.8 | 0 | 0 | 0 | 0 | 117.6 | ||
| 313 | K | 55.9 | Low | 72 | Confident | 140 Ų | 140 | 51.5 Ų | 51.5 | 61% | 0.609 | 28% | 0.281 | S | S | * | . | trans | -124.9 | 137.5 | -179.3 | -68.7 | -177.1 | -179.7 | 178.9 | 0 | 111.7 | N310 F315 | N310-K313 PolarHBondContact ND2-O 3.27Å; N310-K313 PolarHBondContact OD1-N 3.1Å; N310-K313 PolarHBondContact OD1-O 3.25Å; K313-F315 PolarHBondContact O-N 3.13Å; K313-F315 VanDerWaalsContact O-N 3.12Å | ||
| 314 | G | 65.3 | Low | 72.6 | Confident | 38 Ų | 38 | 56.9 Ų | 56.9 | 39% | 0.392 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -68.6 | -4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y335 | G314-Y335 PolarHBondContact O-N 2.82Š|
| 315 | F | 73.9 | Confident | 73.1 | Confident | 125 Ų | 125 | 55.8 Ų | 55.8 | 55% | 0.548 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 143.3 | -180 | -53.9 | -86.3 | 0 | 0 | 0 | 110 | K313 L333 T334 | K313-F315 PolarHBondContact O-N 3.13Å; K313-F315 VanDerWaalsContact O-N 3.12Å; F315-L333 CarbonylContact C-O 3.6Å; F315-L333 WeakPolarHBondContact CA-O 3.44Å; F315-T334 HydrophobicContact CD1-CG2 4.02Å; F315-T334 VanDerWaalsContact CD1-OG1 3.26Å; F315-T334 WeakPolarHBondContact CD1-OG1 3.03Å; F315-T334 HydrophobicContact CE1-CG2 3.78Å; F315-T334 VanDerWaalsContact CE1-OG1 3.28Å; F315-T334 WeakPolarHBondContact CE1-OG1 3.28Å |
| 316 | G | 73.7 | Confident | 73.6 | Confident | 6 Ų | 6 | 59 Ų | 59 | 6% | 0.062 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 139.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L333 | G316-L333 PolarHBondContact N-O 2.95Å; G316-L333 PolarHBondContact O-N 2.59Å |
| 317 | T | 79.2 | Confident | 74.1 | Confident | 36 Ų | 36 | 53.9 Ų | 53.9 | 22% | 0.221 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 136.1 | 174.7 | -53.4 | 0 | 0 | 0 | 0 | 109.3 | S286 F319 A328 | S286-T317 PolarHBondContact N-O 3.4Å; T317-F319 HydrophobicContact CG2-CE1 4.17Å; T317-F319 HydrophobicContact CG2-CE2 3.97Å; T317-F319 HydrophobicContact CG2-CZ 3.79Å; T317-A328 HydrophobicContact CG2-CB 4.44Å |
| 318 | V | 80.9 | Confident | 74.6 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.012 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 132.6 | 174.2 | -177.5 | 0 | 0 | 0 | 0 | 108.8 | I257 L272 I305 C329 | I257-V318 HydrophobicContact CD1-CB 4.3Å; I257-V318 HydrophobicContact CD1-CG2 3.91Å; L272-V318 HydrophobicContact CD1-CG1 4.35Å; L272-V318 HydrophobicContact CD2-CG1 4.41Å; I305-V318 HydrophobicContact CD1-CG1 4.16Å; I305-V318 HydrophobicContact CD1-CG2 4.35Å; V318-C329 HydrophobicContact CB-CB 4.4Å; V318-C329 WeakPolarHBondContact O-CB 3.37Å; V318-C329 PolarHBondContact O-N 2.78Å |
| 319 | F | 82.3 | Confident | 75.1 | Confident | 62 Ų | 62 | 53.4 Ų | 53.4 | 27% | 0.272 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 130.7 | 177.6 | -60 | -89.4 | 0 | 0 | 0 | 110.1 | M284 T317 V327 A328 | M284-F319 HydrophobicContact CB-CB 4.26Å; M284-F319 PolarHBondContact N-O 2.86Å; M284-F319 PolarHBondContact O-N 3.15Å; T317-F319 HydrophobicContact CG2-CE1 4.17Å; T317-F319 HydrophobicContact CG2-CE2 3.97Å; T317-F319 HydrophobicContact CG2-CZ 3.79Å; F319-V327 CarbonylContact C-O 3.53Å; F319-V327 WeakPolarHBondContact CA-O 3.42Å; F319-A328 HydrophobicContact CD1-CB 3.76Å; F319-A328 HydrophobicContact CE1-CB 3.7Å |
| 320 | L | 82.9 | Confident | 75.8 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 120.9 | 172.5 | -43.9 | 177.3 | 0 | 0 | 0 | 109.1 | P252 C254 L272 L277 V280 L283 T326 V327 | P252-L320 HydrophobicContact CB-CD1 4.21Å; C254-L320 HydrophobicContact CB-CD1 4.03Å; L272-L320 HydrophobicContact CD1-CD2 4.07Å; L277-L320 HydrophobicContact CD2-CD1 4.02Å; V280-L320 HydrophobicContact CG1-CB 4.04Å; V280-L320 HydrophobicContact CG2-CB 4.15Å; V280-L320 HydrophobicContact CG2-CD1 4.21Å; L283-L320 HydrophobicContact CD2-CB 4.39Å; L283-L320 HydrophobicContact CD2-CD2 3.25Å; L283-L320 HydrophobicContact CD2-CG 4.38Å; L320-T326 CarbonylContact O-C 3.55Å; L320-T326 VanDerWaalsContact O-CA 3.31Å; L320-T326 WeakPolarHBondContact O-CA 3.33Å; L320-V327 HydrophobicContact CB-CB 4.29Å; L320-V327 PolarHBondContact N-O 3.06Å; L320-V327 PolarHBondContact O-N 3.45Å |
| 321 | K | 81.4 | Confident | 76.6 | Confident | 50 Ų | 50 | 57.1 Ų | 57.1 | 22% | 0.217 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 125.2 | 172.9 | -173.3 | 170.8 | 177.6 | 177.9 | 0 | 109.5 | V280 D281 G282 M284 Q291 Q325 | V280-K321 WeakPolarHBondContact CG1-O 3.36Å; D281-K321 PolarHBondContact N-O 3.45Å; G282-K321 PolarHBondContact N-O 2.87Å; G282-K321 WeakPolarHBondContact O-CB 3.29Å; G282-K321 PolarHBondContact O-N 3.24Å; M284-K321 HydrophobicContact SD-CD 4.37Å; Q291-K321 HydrophobicContact CG-CD 4.32Å; K321-Q325 WeakPolarHBondContact CA-O 3.43Å |
| 322 | V | 83.8 | Confident | 77.8 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 111.5 | -177 | -174.7 | 0 | 0 | 0 | 0 | 106.8 | S173 Y175 P252 V280 N324 Q325 | S173-V322 VanDerWaalsContact OG-CG1 3.25Å; S173-V322 WeakPolarHBondContact OG-CG1 3.23Å; Y175-V322 HydrophobicContact CD2-CB 4.18Å; Y175-V322 HydrophobicContact CD2-CG1 4.27Å; P252-V322 HydrophobicContact CG-CG1 4.47Å; P252-V322 HydrophobicContact CG-CG2 3.39Å; V280-V322 HydrophobicContact CG2-CG2 4.31Å; V322-N324 PolarHBondContact O-N 2.94Å; V322-Q325 PolarHBondContact N-O 3.44Å; V322-Q325 PolarHBondContact O-N 2.75Å |
| 323 | A | 81.4 | Confident | 79 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 3% | 0.025 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | -119.4 | -166.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y175 D281 | Y175-A323 WeakPolarHBondContact O-CB 3.41Å; D281-A323 WeakPolarHBondContact OD2-CA 3.1Å; D281-A323 PolarHBondContact OD2-N 2.03Å |
| 324 | N | 80.3 | Confident | 80.3 | Confident | 123 Ų | 123 | 49.3 Ų | 49.3 | 66% | 0.658 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 4.7 | 178.8 | -68.3 | -11 | 0 | 0 | 0 | 113.8 | N178 V322 | N178-N324 PolarHBondContact ND2-OD1 3.02Å; V322-N324 PolarHBondContact O-N 2.94Å |
| 325 | Q | 82.1 | Confident | 81.2 | Confident | 86 Ų | 86 | 48.1 Ų | 48.1 | 40% | 0.402 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 158.8 | -175.3 | -63.9 | -63.9 | -22.8 | 0 | 0 | 111.9 | Y175 K321 V322 | Y175-Q325 HydrophobicContact CD1-CB 4.11Å; Y175-Q325 HydrophobicContact CD1-CG 3.68Å; Y175-Q325 HydrophobicContact CD2-CB 3.58Å; Y175-Q325 HydrophobicContact CD2-CG 4.1Å; Y175-Q325 HydrophobicContact CE1-CB 4.22Å; Y175-Q325 HydrophobicContact CE1-CG 3.88Å; Y175-Q325 HydrophobicContact CE2-CB 3.7Å; Y175-Q325 HydrophobicContact CE2-CG 4.28Å; Y175-Q325 HydrophobicContact CG-CB 3.81Å; Y175-Q325 HydrophobicContact CG-CG 3.82Å; K321-Q325 WeakPolarHBondContact CA-O 3.43Å; V322-Q325 PolarHBondContact N-O 3.44Å; V322-Q325 PolarHBondContact O-N 2.75Å |
| 326 | T | 83.1 | Confident | 81.4 | Confident | 77 Ų | 77 | 44.4 Ų | 44.4 | 47% | 0.472 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 130.8 | 175.6 | 57.3 | 0 | 0 | 0 | 0 | 111.1 | M284 L320 | M284-T326 HydrophobicContact SD-CG2 4.38Å; L320-T326 CarbonylContact O-C 3.55Å; L320-T326 VanDerWaalsContact O-CA 3.31Å; L320-T326 WeakPolarHBondContact O-CA 3.33Å |
| 327 | V | 82.8 | Confident | 81.7 | Confident | 32 Ų | 32 | 48 Ų | 48 | 19% | 0.194 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 118.4 | 179.7 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | Y175 F319 L320 | Y175-V327 HydrophobicContact CD2-CG2 4.43Å; Y175-V327 HydrophobicContact CE2-CG2 3.71Å; F319-V327 CarbonylContact C-O 3.53Å; F319-V327 WeakPolarHBondContact CA-O 3.42Å; L320-V327 HydrophobicContact CB-CB 4.29Å; L320-V327 PolarHBondContact N-O 3.06Å; L320-V327 PolarHBondContact O-N 3.45Å |
| 328 | A | 82 | Confident | 81.6 | Confident | 52 Ų | 52 | 49.5 Ų | 49.5 | 43% | 0.43 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 132.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111 | T317 F319 | T317-A328 HydrophobicContact CG2-CB 4.44Å; F319-A328 HydrophobicContact CD1-CB 3.76Å; F319-A328 HydrophobicContact CE1-CB 3.7Å |
| 329 | C | 82.5 | Confident | 81.4 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.014 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 126.8 | 163.8 | -170 | 0 | 0 | 0 | 0 | 108.7 | C254 V318 V331 | C254-C329 HydrophobicContact CB-CB 3.57Å; C254-C329 WeakPolarHBondContact CB-SG 3.38Å; C254-C329 WeakPolarHBondContact SG-CB 3.29Å; C254-C329 CovalentContact SG-SG 2.04Å; C254-C329 PolarHBondContact SG-SG 2.02Å; V318-C329 HydrophobicContact CB-CB 4.4Å; V318-C329 WeakPolarHBondContact O-CB 3.37Å; V318-C329 PolarHBondContact O-N 2.78Å; C329-V331 PolarHBondContact O-N 2.68Å |
| 330 | L | 79.3 | Confident | 81 | Confident | 160 Ų | 160 | 53.6 Ų | 53.6 | 84% | 0.838 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.4 | -26.7 | 179.1 | -68.9 | 171.7 | 0 | 0 | 0 | 112.1 | ||
| 331 | V | 82.1 | Confident | 80.6 | Confident | 19 Ų | 19 | 55.3 Ų | 55.3 | 12% | 0.115 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 123.5 | 176.5 | -177.7 | 0 | 0 | 0 | 0 | 109.6 | T255 I257 R260 C329 | T255-V331 WeakPolarHBondContact O-CG2 3.44Å; I257-V331 HydrophobicContact CB-CG1 4.09Å; I257-V331 HydrophobicContact CD1-CB 4.24Å; I257-V331 HydrophobicContact CD1-CG1 4.27Å; I257-V331 WeakPolarHBondContact CD1-O 3.45Å; I257-V331 HydrophobicContact CG1-CB 4.05Å; I257-V331 HydrophobicContact CG1-CG1 3.97Å; R260-V331 HydrophobicContact CG-CG1 4.49Å; C329-V331 PolarHBondContact O-N 2.68Å |
| 332 | K | 82.4 | Confident | 80.1 | Confident | 125 Ų | 125 | 56.8 Ų | 56.8 | 54% | 0.543 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 141.8 | 178.5 | -65.2 | 175.5 | -178.4 | 173.9 | 0 | 110.4 | ||
| 333 | L | 81.5 | Confident | 79.4 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 122.9 | 171.7 | -171.4 | 72.4 | 0 | 0 | 0 | 109 | I257 V270 F315 G316 Y335 | I257-L333 HydrophobicContact CG2-CD1 3.94Å; V270-L333 HydrophobicContact CG1-CD1 4.34Å; V270-L333 HydrophobicContact CG2-CD1 4.22Å; F315-L333 CarbonylContact C-O 3.6Å; F315-L333 WeakPolarHBondContact CA-O 3.44Å; G316-L333 PolarHBondContact N-O 2.95Å; G316-L333 PolarHBondContact O-N 2.59Å; L333-Y335 HydrophobicContact CB-CE2 4.46Å; L333-Y335 HydrophobicContact CD2-CE1 4.46Å; L333-Y335 HydrophobicContact CD2-CE2 4.05Å; L333-Y335 HydrophobicContact CG-CE2 4.34Å |
| 334 | T | 83.6 | Confident | 79 | Confident | 35 Ų | 35 | 63.9 Ų | 63.9 | 22% | 0.215 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 131.1 | 179.6 | -58.9 | 0 | 0 | 0 | 0 | 110.5 | R260 I261 S262 F315 L336 | R260-T334 PolarHBondContact O-N 2.7Å; I261-T334 CarbonylContact C-O 3.52Å; I261-T334 WeakPolarHBondContact CA-O 3.01Å; S262-T334 PolarHBondContact N-O 2.89Å; F315-T334 HydrophobicContact CD1-CG2 4.02Å; F315-T334 VanDerWaalsContact CD1-OG1 3.26Å; F315-T334 WeakPolarHBondContact CD1-OG1 3.03Å; F315-T334 HydrophobicContact CE1-CG2 3.78Å; F315-T334 VanDerWaalsContact CE1-OG1 3.28Å; F315-T334 WeakPolarHBondContact CE1-OG1 3.28Å; T334-L336 HydrophobicContact CG2-CD2 4.24Å |
| 335 | Y | 83.6 | Confident | 78.6 | Confident | 13 Ų | 13 | 61.4 Ų | 61.4 | 5% | 0.051 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 112.5 | 178.7 | -73 | -90.2 | 0 | 0 | 0 | 110.5 | S262 W263 Q285 E308 N310 G314 L333 | S262-Y335 CarbonylContact O-C 3.53Å; S262-Y335 WeakPolarHBondContact O-CA 3.29Å; W263-Y335 WeakPolarHBondContact O-CD1 3.43Å; Q285-Y335 PolarHBondContact OE1-OH 2.98Å; E308-Y335 PolarHBondContact N-OH 3.45Å; E308-Y335 WeakPolarHBondContact O-CE1 3.21Å; E308-Y335 PolarHBondContact O-OH 3.43Å; N310-Y335 HydrophobicContact CB-CD1 3.91Å; N310-Y335 HydrophobicContact CB-CD2 3.91Å; N310-Y335 HydrophobicContact CB-CE1 4.17Å; N310-Y335 HydrophobicContact CB-CE2 4.15Å; N310-Y335 HydrophobicContact CB-CG 3.76Å; N310-Y335 VanDerWaalsContact ND2-CD2 3.27Å; N310-Y335 WeakPolarHBondContact ND2-CD2 3.46Å; G314-Y335 PolarHBondContact O-N 2.82Å; L333-Y335 HydrophobicContact CB-CE2 4.46Å; L333-Y335 HydrophobicContact CD2-CE1 4.46Å; L333-Y335 HydrophobicContact CD2-CE2 4.05Å; L333-Y335 HydrophobicContact CG-CE2 4.34Å |
| 336 | L | 79.6 | Confident | 78.1 | Confident | 46 Ų | 46 | 60.8 Ų | 60.8 | 24% | 0.241 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 158.4 | 175.5 | -65.6 | -175.1 | 0 | 0 | 0 | 111.2 | I261 S262 W263 R264 T334 K363 L364 | I261-L336 HydrophobicContact CD1-CD1 4.43Å; I261-L336 HydrophobicContact CG2-CB 4.32Å; I261-L336 HydrophobicContact CG2-CD1 3.57Å; I261-L336 HydrophobicContact CG2-CG 3.76Å; S262-L336 PolarHBondContact O-N 2.91Å; W263-L336 CarbonylContact C-O 3.5Å; R264-L336 WeakPolarHBondContact CB-O 3.13Å; R264-L336 PolarHBondContact N-O 2.72Å; T334-L336 HydrophobicContact CG2-CD2 4.24Å; L336-K363 HydrophobicContact CD1-CB 3.92Å; L336-L364 HydrophobicContact CB-CD2 3.76Å; L336-L364 HydrophobicContact CD1-CD2 4.26Å |
| 337 | P | 78.7 | Confident | 77.6 | Confident | 81 Ų | 81 | 62 Ų | 62 | 53% | 0.526 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -52.4 | 145.1 | 171.8 | -23.6 | 34 | 0 | 0 | 0 | 111.7 | ||
| 338 | D | 77.3 | Confident | 76.8 | Confident | 68 Ų | 68 | 70.1 Ų | 70.1 | 36% | 0.364 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 148.7 | 179.5 | -64.4 | 3.8 | 0 | 0 | 0 | 110.9 | W263 R264 S265 E340 | W263-D338 WeakPolarHBondContact CB-OD1 3.4Å; R264-D338 PolarHBondContact N-OD1 2.76Å; S265-D338 WeakPolarHBondContact CB-OD2 3.42Å; S265-D338 PolarHBondContact N-OD1 2.68Å; S265-D338 PolarHBondContact OG-OD1 2.04Å; S265-D338 PolarHBondContact OG-OD2 2.75Å; D338-E340 PolarHBondContact O-N 3.22Å |
| 339 | P | 76.2 | Confident | 76.2 | Confident | 15 Ų | 15 | 70.9 Ų | 70.9 | 10% | 0.097 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 129.9 | -177.7 | 27.6 | -32.9 | 0 | 0 | 0 | 111.3 | F341 L364 M366 L415 | P339-F341 HydrophobicContact CB-CE2 4.33Å; P339-F341 HydrophobicContact CB-CZ 4.23Å; P339-F341 HydrophobicContact CG-CE2 4.18Å; P339-F341 HydrophobicContact CG-CZ 4.19Å; P339-L364 HydrophobicContact CB-CD1 3.85Å; P339-L364 HydrophobicContact CG-CD1 4.05Å; P339-M366 HydrophobicContact CB-CE 3.92Å; P339-M366 HydrophobicContact CB-SD 4.03Å; P339-M366 HydrophobicContact CG-CE 4.41Å; P339-M366 HydrophobicContact CG-SD 3.89Å; P339-L415 HydrophobicContact CG-CD1 3.66Å |
| 340 | E | 75.1 | Confident | 75.7 | Confident | 136 Ų | 136 | 73.4 Ų | 73.4 | 64% | 0.636 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -97.3 | 120.6 | 176.3 | -70.2 | -174.9 | 169.1 | 0 | 0 | 111.3 | D338 K359 S360 | D338-E340 PolarHBondContact O-N 3.22Å; E340-K359 VanDerWaalsContact O-CA 3.29Å; E340-K359 WeakPolarHBondContact O-CA 3.39Å; E340-K359 WeakPolarHBondContact O-CB 3.32Å; E340-S360 PolarHBondContact O-N 2.86Å |
| 341 | F | 74.6 | Confident | 75.1 | Confident | 36 Ų | 36 | 70.3 Ų | 70.3 | 16% | 0.158 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 124.4 | 175 | -55.3 | -83.4 | 0 | 0 | 0 | 109.2 | P339 I357 K359 I395 V413 L415 | P339-F341 HydrophobicContact CB-CE2 4.33Å; P339-F341 HydrophobicContact CB-CZ 4.23Å; P339-F341 HydrophobicContact CG-CE2 4.18Å; P339-F341 HydrophobicContact CG-CZ 4.19Å; F341-I357 HydrophobicContact CB-CG2 4.44Å; F341-I357 HydrophobicContact CD1-CG2 3.79Å; F341-I357 HydrophobicContact CG-CG2 4.5Å; F341-K359 HydrophobicContact CD1-CB 4.01Å; F341-K359 HydrophobicContact CE1-CB 4.42Å; F341-I395 HydrophobicContact CE1-CD1 3.78Å; F341-V413 HydrophobicContact CE1-CG1 4.31Å; F341-V413 HydrophobicContact CE2-CG1 4.13Å; F341-V413 HydrophobicContact CZ-CG1 3.98Å; F341-L415 HydrophobicContact CE2-CD1 3.46Å; F341-L415 VanDerWaalsContact CE2-CD1 3.46Å; F341-L415 HydrophobicContact CZ-CD1 3.61Å |
| 342 | T | 70.7 | Confident | 74.5 | Confident | 81 Ų | 81 | 71.5 Ų | 71.5 | 50% | 0.497 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | -44.3 | -170 | 51.8 | 0 | 0 | 0 | 0 | 112.4 | H358 | T342-H358 PolarHBondContact N-O 2.92Å; T342-H358 PolarHBondContact OG1-O 2.86Å |
| 343 | S | 69.6 | Low | 74.1 | Confident | 60 Ų | 60 | 66.6 Ų | 66.6 | 42% | 0.42 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 172.4 | -179 | 66.1 | 0 | 0 | 0 | 0 | 111.6 | H358 | S343-H358 PolarHBondContact O-N 3.37Å |
| 344 | F | 72.9 | Confident | 73.8 | Confident | 93 Ų | 93 | 70.7 Ų | 70.7 | 41% | 0.408 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 151.3 | 170.5 | 69.6 | -84.6 | 0 | 0 | 0 | 110.5 | T346 V355 V356 L411 | F344-T346 HydrophobicContact CD2-CG2 3.98Å; F344-T346 HydrophobicContact CE2-CG2 4.05Å; F344-V355 HydrophobicContact CB-CG1 4.45Å; F344-V355 HydrophobicContact CD2-CG1 4.42Å; F344-V356 CarbonylContact C-O 3.46Å; F344-V356 VanDerWaalsContact CA-O 3.3Å; F344-V356 WeakPolarHBondContact CA-O 3.18Å; F344-L411 HydrophobicContact CB-CD2 4.41Å; F344-L411 HydrophobicContact CD1-CB 4.4Å; F344-L411 HydrophobicContact CE1-CB 4.49Å |
| 345 | T | 71.7 | Confident | 73.5 | Confident | 72 Ų | 72 | 69 Ų | 69 | 44% | 0.442 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 150.1 | 172 | 52.9 | 0 | 0 | 0 | 0 | 109.3 | V356 | T345-V356 PolarHBondContact N-O 2.7Å; T345-V356 PolarHBondContact O-N 3.04Å; T345-V356 PolarHBondContact OG1-O 3.45Å |
| 346 | T | 71.9 | Confident | 73.2 | Confident | 72 Ų | 72 | 69.6 Ų | 69.6 | 44% | 0.442 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 134.3 | 178.3 | 62.7 | 0 | 0 | 0 | 0 | 109.7 | F344 V353 R354 V355 | F344-T346 HydrophobicContact CD2-CG2 3.98Å; F344-T346 HydrophobicContact CE2-CG2 4.05Å; T346-V353 HydrophobicContact CG2-CG1 4.43Å; T346-R354 CarbonylContact C-O 3.55Å; T346-R354 WeakPolarHBondContact CA-O 3.25Å; T346-V355 HydrophobicContact CG2-CG2 4.23Å |
| 347 | E | 71 | Confident | 73.1 | Confident | 103 Ų | 103 | 67.6 Ų | 67.6 | 48% | 0.481 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 132 | 179.7 | -176.9 | -175.4 | -152.1 | 0 | 0 | 108.8 | R354 | E347-R354 HydrophobicContact CB-CB 4.41Å; E347-R354 PolarHBondContact N-O 2.68Å; E347-R354 PolarHBondContact O-N 3.07Å; E347-R354 WeakPolarHBondContact OE2-CD 3.47Å; E347-R354 IonicContact OE2-CZ 2.88Å; E347-R354 IonicContact OE2-NE 2.84Å; E347-R354 IonicContact OE2-NH1 3.77Å; E347-R354 PolarHBondContact OE2-NH1 2.84Å |
| 348 | R | 66.4 | Low | 73 | Confident | 202 Ų | 202 | 66.1 Ų | 66.1 | 76% | 0.762 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 125.2 | -179.7 | -172.2 | 179.2 | -176.3 | -179.5 | 2.9 | 110.5 | G350 | R348-G350 PolarHBondContact NE-O 2.91Å |
| 349 | L | 69.2 | Low | 73 | Confident | 68 Ų | 68 | 63.3 Ų | 63.3 | 36% | 0.356 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 83.6 | 170.7 | -77 | 125 | 0 | 0 | 0 | 109.4 | N351 D352 R354 | L349-N351 PolarHBondContact O-N 2.82Å; L349-D352 CarbonylContact C-O 3.6Å; L349-D352 PolarHBondContact N-O 2.81Å; L349-D352 PolarHBondContact O-N 2.83Å; L349-R354 HydrophobicContact CD1-CB 3.35Å; L349-R354 HydrophobicContact CD1-CG 4.24Å; L349-R354 VanDerWaalsContact CD1-CZ 3.45Å; L349-R354 VanDerWaalsContact CD1-NE 3.32Å |
| 350 | G | 71.6 | Confident | 73.1 | Confident | 55 Ų | 55 | 64.8 Ų | 64.8 | 57% | 0.567 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | -116.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R348 | R348-G350 PolarHBondContact NE-O 2.91Š|
| 351 | N | 68 | Low | 73.2 | Confident | 95 Ų | 95 | 63 Ų | 63 | 51% | 0.508 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -8.4 | 175.3 | -68.5 | -13.5 | 0 | 0 | 0 | 113.2 | L349 R401 | L349-N351 PolarHBondContact O-N 2.82Å; N351-R401 WeakPolarHBondContact O-CA 3.38Å; N351-R401 VanDerWaalsContact O-CB 3.24Å; N351-R401 WeakPolarHBondContact O-CB 3.41Å; N351-R401 PolarHBondContact O-N 3.27Å |
| 352 | D | 68.8 | Low | 73.3 | Confident | 44 Ų | 44 | 63.5 Ų | 63.5 | 24% | 0.235 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 148.3 | 179.1 | -66.6 | -11.1 | 0 | 0 | 0 | 111 | L349 I399 H400 | L349-D352 CarbonylContact C-O 3.6Å; L349-D352 PolarHBondContact N-O 2.81Å; L349-D352 PolarHBondContact O-N 2.83Å; D352-I399 WeakPolarHBondContact CA-O 3.17Å; D352-H400 WeakPolarHBondContact OD1-CA 3.45Å; D352-H400 IonicContact OD1-CE1 2.61Å; D352-H400 IonicContact OD1-CG 3.72Å; D352-H400 IonicContact OD1-ND1 3.69Å; D352-H400 PolarHBondContact OD1-ND1 3.42Å |
| 353 | V | 74.4 | Confident | 73.7 | Confident | 23 Ų | 23 | 67.6 Ų | 67.6 | 14% | 0.139 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 120.7 | 169.8 | -176.9 | 0 | 0 | 0 | 0 | 108.1 | T346 V355 I399 | T346-V353 HydrophobicContact CG2-CG1 4.43Å; V353-V355 HydrophobicContact CG1-CG2 4.31Å; V353-I399 PolarHBondContact N-O 3.18Å; V353-I399 PolarHBondContact O-N 3.46Å |
| 354 | R | 75.7 | Confident | 73.9 | Confident | 86 Ų | 86 | 64.8 Ų | 64.8 | 33% | 0.325 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 121.5 | 168.1 | 176.8 | -172.9 | -68.3 | 165.7 | -3.1 | 108.2 | T346 E347 L349 V356 C397 | T346-R354 CarbonylContact C-O 3.55Å; T346-R354 WeakPolarHBondContact CA-O 3.25Å; E347-R354 HydrophobicContact CB-CB 4.41Å; E347-R354 PolarHBondContact N-O 2.68Å; E347-R354 PolarHBondContact O-N 3.07Å; E347-R354 WeakPolarHBondContact OE2-CD 3.47Å; E347-R354 IonicContact OE2-CZ 2.88Å; E347-R354 IonicContact OE2-NE 2.84Å; E347-R354 IonicContact OE2-NH1 3.77Å; E347-R354 PolarHBondContact OE2-NH1 2.84Å; L349-R354 HydrophobicContact CD1-CB 3.35Å; L349-R354 HydrophobicContact CD1-CG 4.24Å; L349-R354 VanDerWaalsContact CD1-CZ 3.45Å; L349-R354 VanDerWaalsContact CD1-NE 3.32Å; R354-V356 HydrophobicContact CG-CG2 4.17Å; R354-C397 WeakPolarHBondContact CA-O 3.33Å |
| 355 | V | 77.3 | Confident | 74.1 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 128.1 | 172.3 | -175 | 0 | 0 | 0 | 0 | 108.2 | F344 T346 V353 I357 S396 C397 I399 L411 | F344-V355 HydrophobicContact CB-CG1 4.45Å; F344-V355 HydrophobicContact CD2-CG1 4.42Å; T346-V355 HydrophobicContact CG2-CG2 4.23Å; V353-V355 HydrophobicContact CG1-CG2 4.31Å; V355-I357 HydrophobicContact CG1-CG1 4.14Å; V355-S396 WeakPolarHBondContact O-CA 2.95Å; V355-C397 PolarHBondContact N-O 3.47Å; V355-C397 PolarHBondContact O-N 2.79Å; V355-I399 HydrophobicContact CG2-CD1 3.92Å; V355-I399 HydrophobicContact CG2-CG1 4.44Å; V355-L411 HydrophobicContact CB-CD1 4.48Å; V355-L411 HydrophobicContact CG1-CD1 3.74Å; V355-L411 HydrophobicContact CG1-CD2 3.85Å; V355-L411 HydrophobicContact CG1-CG 4.47Å; V355-L411 HydrophobicContact CG2-CD1 4.24Å |
| 356 | V | 76.9 | Confident | 74.1 | Confident | 26 Ų | 26 | 65.4 Ų | 65.4 | 16% | 0.158 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 110.1 | 173.1 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | F344 T345 R354 K394 I395 | F344-V356 CarbonylContact C-O 3.46Å; F344-V356 VanDerWaalsContact CA-O 3.3Å; F344-V356 WeakPolarHBondContact CA-O 3.18Å; T345-V356 PolarHBondContact N-O 2.7Å; T345-V356 PolarHBondContact O-N 3.04Å; T345-V356 PolarHBondContact OG1-O 3.45Å; R354-V356 HydrophobicContact CG-CG2 4.17Å; V356-K394 HydrophobicContact CG1-CB 4.19Å; V356-K394 HydrophobicContact CG1-CD 4.28Å; V356-K394 HydrophobicContact CG1-CG 4.42Å; V356-I395 CarbonylContact C-O 3.49Å; V356-I395 WeakPolarHBondContact CA-O 3.39Å |
| 357 | I | 76.8 | Confident | 74.2 | Confident | 4 Ų | 4 | 65.4 Ų | 65.4 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 127.1 | 178.5 | -47.4 | 171.6 | 0 | 0 | 0 | 108.2 | F341 V355 V373 K394 I395 L411 V413 | F341-I357 HydrophobicContact CB-CG2 4.44Å; F341-I357 HydrophobicContact CD1-CG2 3.79Å; F341-I357 HydrophobicContact CG-CG2 4.5Å; V355-I357 HydrophobicContact CG1-CG1 4.14Å; I357-V373 HydrophobicContact CD1-CG1 4.01Å; I357-V373 HydrophobicContact CD1-CG2 3.93Å; I357-K394 CarbonylContact O-C 3.56Å; I357-K394 WeakPolarHBondContact O-CA 3.37Å; I357-I395 HydrophobicContact CB-CB 4.3Å; I357-I395 PolarHBondContact N-O 3.17Å; I357-I395 PolarHBondContact O-N 3.11Å; I357-L411 HydrophobicContact CD1-CD2 3.39Å; I357-L411 HydrophobicContact CG1-CD2 3.48Å; I357-L411 VanDerWaalsContact CG1-CD2 3.48Å; I357-V413 HydrophobicContact CD1-CG2 3.89Å |
| 358 | H | 77.3 | Confident | 74.1 | Confident | 49 Ų | 49 | 62.8 Ų | 62.8 | 23% | 0.227 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 136.5 | 172.9 | -64.8 | -98.4 | 0 | 0 | 0 | 109.8 | T342 S343 | T342-H358 PolarHBondContact N-O 2.92Å; T342-H358 PolarHBondContact OG1-O 2.86Å; S343-H358 PolarHBondContact O-N 3.37Å |
| 359 | K | 76.7 | Confident | 74.1 | Confident | 10 Ų | 10 | 57.9 Ų | 57.9 | 4% | 0.043 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 158.7 | 175.6 | 67.2 | 169.9 | -163.8 | 72.2 | 0 | 111 | E340 F341 D362 M366 G392 N393 I395 | E340-K359 VanDerWaalsContact O-CA 3.29Å; E340-K359 WeakPolarHBondContact O-CA 3.39Å; E340-K359 WeakPolarHBondContact O-CB 3.32Å; F341-K359 HydrophobicContact CD1-CB 4.01Å; F341-K359 HydrophobicContact CE1-CB 4.42Å; K359-D362 WeakPolarHBondContact CE-OD2 3.26Å; K359-D362 IonicContact NZ-OD1 2.64Å; K359-D362 IonicContact NZ-OD2 3.08Å; K359-D362 PolarHBondContact NZ-OD2 2.84Å; K359-M366 HydrophobicContact CD-CE 3.56Å; K359-G392 WeakPolarHBondContact CE-O 3.32Å; K359-G392 PolarHBondContact NZ-O 3.16Å; K359-N393 PolarHBondContact N-O 3.22Å; K359-I395 HydrophobicContact CD-CD1 4.14Å |
| 360 | S | 77.9 | Confident | 74.1 | Confident | 45 Ų | 45 | 56.9 Ų | 56.9 | 32% | 0.315 | 33% | 0.33 | S | S | . | . | trans | -60.7 | 152.7 | 169.4 | -63.3 | 0 | 0 | 0 | 0 | 110.7 | E340 D362 | E340-S360 PolarHBondContact O-N 2.86Å; S360-D362 PolarHBondContact O-N 3.04Å | ||
| 361 | S | 77.3 | Confident | 74 | Confident | 99 Ų | 99 | 54.8 Ų | 54.8 | 69% | 0.692 | 31% | 0.305 | S | S | * | . | trans | -66.1 | 127.2 | 174.8 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | N393 | S361-N393 VanDerWaalsContact CA-OD1 3.29Å; S361-N393 WeakPolarHBondContact CA-OD1 3.33Å; S361-N393 WeakPolarHBondContact CB-OD1 3.36Å | ||
| 362 | D | 77.7 | Confident | 74 | Confident | 46 Ų | 46 | 55.4 Ų | 55.4 | 25% | 0.246 | 31% | 0.308 | C | S | . | . | trans | -137.2 | 167.6 | 177.6 | 67.5 | 55.6 | 0 | 0 | 0 | 110.7 | K359 S360 L364 | K359-D362 WeakPolarHBondContact CE-OD2 3.26Å; K359-D362 IonicContact NZ-OD1 2.64Å; K359-D362 IonicContact NZ-OD2 3.08Å; K359-D362 PolarHBondContact NZ-OD2 2.84Å; S360-D362 PolarHBondContact O-N 3.04Å; D362-L364 HydrophobicContact CB-CD1 4.19Å; D362-L364 HydrophobicContact CB-CG 4.26Å; D362-L364 WeakPolarHBondContact OD1-CB 3.42Å; D362-L364 PolarHBondContact OD1-N 2.8Å | ||
| 363 | K | 77.7 | Confident | 74.2 | Confident | 167 Ų | 167 | 53.6 Ų | 53.6 | 73% | 0.726 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -108.8 | 26.7 | 176.1 | -59.7 | -178.1 | 179.6 | -178.6 | 0 | 111.3 | I261 L336 | I261-K363 WeakPolarHBondContact CD1-O 3.45Å; L336-K363 HydrophobicContact CD1-CB 3.92Å |
| 364 | L | 74.8 | Confident | 73.9 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | trans | -83.5 | -12.7 | -173.1 | -70.9 | 166.3 | 0 | 0 | 0 | 113.6 | I261 W263 R268 L336 P339 D362 M366 | I261-L364 HydrophobicContact CG2-CD2 3.94Å; W263-L364 HydrophobicContact CE3-CD1 4.36Å; W263-L364 HydrophobicContact CE3-CD2 4.35Å; R268-L364 PolarHBondContact NH1-O 3.11Å; R268-L364 PolarHBondContact NH2-O 2.94Å; R268-L364 VanDerWaalsContact NH2-O 3.14Å; L336-L364 HydrophobicContact CB-CD2 3.76Å; L336-L364 HydrophobicContact CD1-CD2 4.26Å; P339-L364 HydrophobicContact CB-CD1 3.85Å; P339-L364 HydrophobicContact CG-CD1 4.05Å; D362-L364 HydrophobicContact CB-CD1 4.19Å; D362-L364 HydrophobicContact CB-CG 4.26Å; D362-L364 WeakPolarHBondContact OD1-CB 3.42Å; D362-L364 PolarHBondContact OD1-N 2.8Å; L364-M366 VanDerWaalsContact C-N 3.28Å; L364-M366 HydrophobicContact CB-CG 3.94Å; L364-M366 PolarHBondContact O-N 2.99Å | ||
| 365 | E | 76.1 | Confident | 73.7 | Confident | 164 Ų | 164 | 52.3 Ų | 52.3 | 77% | 0.766 | 29% | 0.291 | S | S | * | . | trans | 45.6 | 51.2 | 179.2 | -64.9 | -177.2 | -175.2 | 0 | 0 | 112.3 | ||||
| 366 | M | 73.5 | Confident | 73.2 | Confident | 14 Ų | 14 | 53.6 Ų | 53.6 | 7% | 0.069 | 30% | 0.299 | C | S | . | . | trans | -65.6 | 138.8 | -176.2 | -57.3 | -170.7 | -79.6 | 0 | 0 | 111.5 | W263 P339 K359 L364 I390 | W263-M366 HydrophobicContact CZ3-CG 3.94Å; W263-M366 HydrophobicContact CZ3-SD 4.03Å; P339-M366 HydrophobicContact CB-CE 3.92Å; P339-M366 HydrophobicContact CB-SD 4.03Å; P339-M366 HydrophobicContact CG-CE 4.41Å; P339-M366 HydrophobicContact CG-SD 3.89Å; K359-M366 HydrophobicContact CD-CE 3.56Å; L364-M366 VanDerWaalsContact C-N 3.28Å; L364-M366 HydrophobicContact CB-CG 3.94Å; L364-M366 PolarHBondContact O-N 2.99Å; M366-I390 VanDerWaalsContact O-CD1 3.22Å; M366-I390 WeakPolarHBondContact O-CD1 3.28Å | ||
| 367 | T | 73.7 | Confident | 72.6 | Confident | 73 Ų | 73 | 55.6 Ų | 55.6 | 45% | 0.448 | 31% | 0.307 | S | S | . | . | trans | -101 | 158.5 | 176.2 | 65.1 | 0 | 0 | 0 | 0 | 111.7 | A369 E370 I390 | T367-A369 PolarHBondContact O-N 3.3Å; T367-A369 VanDerWaalsContact O-N 3.12Å; T367-E370 PolarHBondContact N-OE2 3.49Å; T367-E370 PolarHBondContact O-N 3.46Å; T367-E370 VanDerWaalsContact O-N 3.08Å; T367-E370 WeakPolarHBondContact OG1-CG 3.44Å; T367-E370 PolarHBondContact OG1-OE2 3.05Å; T367-E370 VanDerWaalsContact OG1-OE2 3.12Å; T367-I390 VanDerWaalsContact C-CD1 3.48Å | ||
| 368 | A | 67.8 | Low | 72.2 | Confident | 48 Ų | 48 | 58.9 Ų | 58.9 | 40% | 0.397 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -58.2 | -25.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | E370 V387 | A368-E370 VanDerWaalsContact C-N 3.32Å; A368-V387 HydrophobicContact CB-CB 3.86Å; A368-V387 HydrophobicContact CB-CG1 3.79Å |
| 369 | A | 66.3 | Low | 71.4 | Confident | 99 Ų | 99 | 66 Ų | 66 | 82% | 0.818 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -77.9 | -13.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | T367 | T367-A369 PolarHBondContact O-N 3.3Å; T367-A369 VanDerWaalsContact O-N 3.12Å |
| 370 | E | 69.9 | Low | 70.7 | Confident | 46 Ų | 46 | 73 Ų | 73 | 22% | 0.215 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -94.8 | -4.4 | -178.1 | -66.9 | 171.2 | 127.6 | 0 | 0 | 113 | W263 R268 T367 A368 | W263-E370 HydrophobicContact CH2-CB 4.14Å; W263-E370 HydrophobicContact CH2-CG 4.46Å; R268-E370 IonicContact CZ-OE1 3.67Å; R268-E370 VanDerWaalsContact CZ-OE1 3.32Å; R268-E370 IonicContact CZ-OE2 2.8Å; R268-E370 IonicContact NE-OE1 2.66Å; R268-E370 PolarHBondContact NE-OE1 2.99Å; R268-E370 IonicContact NH2-OE1 3.51Å; R268-E370 PolarHBondContact NH2-OE1 3.04Å; R268-E370 IonicContact NH2-OE2 3.28Å; R268-E370 PolarHBondContact NH2-OE2 3.2Å; T367-E370 PolarHBondContact N-OE2 3.49Å; T367-E370 PolarHBondContact O-N 3.46Å; T367-E370 VanDerWaalsContact O-N 3.08Å; T367-E370 WeakPolarHBondContact OG1-CG 3.44Å; T367-E370 PolarHBondContact OG1-OE2 3.05Å; T367-E370 VanDerWaalsContact OG1-OE2 3.12Å; A368-E370 VanDerWaalsContact C-N 3.32Å |
| 371 | L | 70.3 | Confident | 70.3 | Confident | 11 Ų | 11 | 76.9 Ų | 76.9 | 6% | 0.058 | 42% | 0.419 | C | S | . | . | trans | -114.8 | 125.6 | -174.6 | -69 | 167.6 | 0 | 0 | 0 | 111.5 | I390 I395 | L371-I390 HydrophobicContact CD1-CD1 3.88Å; L371-I395 HydrophobicContact CD1-CD1 3.81Å; L371-I395 HydrophobicContact CD1-CG1 4.34Å; L371-I395 HydrophobicContact CD1-CG2 4.14Å | ||
| 372 | L | 67.3 | Low | 70.2 | Confident | 108 Ų | 108 | 75.1 Ų | 75.1 | 57% | 0.565 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 108.3 | 168.4 | -69.3 | 170.8 | 0 | 0 | 0 | 108.7 | H414 | L372-H414 PolarHBondContact O-N 2.95Å |
| 373 | V | 72 | Confident | 69.7 | Low | 7 Ų | 7 | 75.9 Ų | 75.9 | 4% | 0.042 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 126.5 | 179.2 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | I357 C384 L411 | I357-V373 HydrophobicContact CD1-CG1 4.01Å; I357-V373 HydrophobicContact CD1-CG2 3.93Å; V373-C384 HydrophobicContact CB-CB 4.22Å; V373-C384 WeakPolarHBondContact O-CB 3.38Å; V373-C384 PolarHBondContact O-N 3.23Å; V373-C384 VanDerWaalsContact O-N 3.13Å; V373-L411 HydrophobicContact CG1-CD1 4.07Å; V373-L411 HydrophobicContact CG1-CD2 3.89Å; V373-L411 HydrophobicContact CG1-CG 3.94Å |
| 374 | W | 68.9 | Low | 69.4 | Low | 81 Ų | 81 | 69 Ų | 69 | 31% | 0.307 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 136.3 | 177.4 | -57.6 | 82 | 0 | 0 | 0 | 109.8 | Q381 P383 A412 | W374-Q381 HydrophobicContact CE3-CB 3.97Å; W374-P383 HydrophobicContact CD2-CB 4.43Å; W374-P383 VanDerWaalsContact CE3-CA 3.49Å; W374-P383 HydrophobicContact CE3-CB 3.74Å; W374-P383 HydrophobicContact CE3-CG 4.36Å; W374-P383 HydrophobicContact CH2-CB 3.8Å; W374-P383 HydrophobicContact CH2-CG 4.39Å; W374-P383 HydrophobicContact CZ2-CB 4.45Å; W374-P383 HydrophobicContact CZ3-CB 3.41Å; W374-P383 VanDerWaalsContact CZ3-CB 3.41Å; W374-P383 HydrophobicContact CZ3-CG 3.8Å; W374-A412 PolarHBondContact N-O 3.42Å; W374-A412 VanDerWaalsContact N-O 3.11Å; W374-A412 PolarHBondContact O-N 3.39Å |
| 375 | G | 71.8 | Confident | 68.7 | Low | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 120.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | H382 L409 | G375-H382 PolarHBondContact N-O 2.74Å; G375-H382 PolarHBondContact O-N 2.96Å; G375-L409 VanDerWaalsContact CA-CD2 3.43Å |
| 376 | V | 66.1 | Low | 67.9 | Low | 27 Ų | 27 | 72 Ų | 72 | 16% | 0.164 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 122.3 | 176.8 | -173.9 | 0 | 0 | 0 | 0 | 108.5 | G378 Q381 I410 A412 | V376-G378 WeakPolarHBondContact CG1-O 3.3Å; V376-Q381 HydrophobicContact CG2-CG 4.4Å; V376-I410 HydrophobicContact CB-CB 4.3Å; V376-I410 WeakPolarHBondContact CB-O 3.09Å; V376-I410 PolarHBondContact N-O 3.15Å; V376-I410 PolarHBondContact O-N 2.77Å; V376-A412 HydrophobicContact CG2-CB 4.05Å |
| 377 | E | 65.1 | Low | 67.3 | Low | 69 Ų | 69 | 72.9 Ų | 72.9 | 32% | 0.322 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 104 | 175.1 | -179.6 | 170.2 | -156.4 | 0 | 0 | 108.1 | E379 K380 R401 | E377-E379 PolarHBondContact O-N 3.01Å; E377-K380 PolarHBondContact N-O 3.32Å; E377-K380 PolarHBondContact O-N 3.17Å; E377-R401 IonicContact OE1-NH2 2.72Å; E377-R401 PolarHBondContact OE1-NH2 2.75Å; E377-R401 IonicContact OE2-CZ 2.7Å; E377-R401 IonicContact OE2-NE 3.24Å; E377-R401 IonicContact OE2-NH2 2.66Å; E377-R401 PolarHBondContact OE2-NH2 3.4Å |
| 378 | G | 67.4 | Low | 66.6 | Low | 72 Ų | 72 | 75.8 Ų | 75.8 | 74% | 0.742 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | -119.4 | -168.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | V376 | V376-G378 WeakPolarHBondContact CG1-O 3.3Š|
| 379 | E | 60.3 | Low | 66.1 | Low | 200 Ų | 200 | 81.9 Ų | 81.9 | 94% | 0.935 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -8.4 | 174.3 | -64 | -170.8 | 161.9 | 0 | 0 | 113.8 | E377 | E377-E379 PolarHBondContact O-N 3.01Š|
| 380 | K | 63.8 | Low | 66 | Low | 157 Ų | 157 | 79.5 Ų | 79.5 | 68% | 0.683 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 130.4 | -175.7 | -72 | -177.7 | 179.9 | 175.7 | 0 | 111.2 | E377 | E377-K380 PolarHBondContact N-O 3.32Å; E377-K380 PolarHBondContact O-N 3.17Å |
| 381 | Q | 69.1 | Low | 65.4 | Low | 126 Ų | 126 | 81 Ų | 81 | 59% | 0.589 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 126.3 | 179.1 | -59.7 | -175.8 | 2 | 0 | 0 | 110.6 | W374 V376 | W374-Q381 HydrophobicContact CE3-CB 3.97Å; V376-Q381 HydrophobicContact CG2-CG 4.4Å |
| 382 | H | 73.7 | Confident | 65.1 | Low | 61 Ų | 61 | 83 Ų | 83 | 28% | 0.282 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 114.7 | 178.2 | -63.9 | -84 | 0 | 0 | 0 | 109.9 | G375 I399 | G375-H382 PolarHBondContact N-O 2.74Å; G375-H382 PolarHBondContact O-N 2.96Å; H382-I399 HydrophobicContact CB-CG2 3.64Å |
| 383 | P | 69.2 | Low | 65.4 | Low | 62 Ų | 62 | 81.6 Ų | 81.6 | 40% | 0.403 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 144.4 | -179.5 | 23.7 | -28.3 | 0 | 0 | 0 | 111.5 | W374 V385 | W374-P383 HydrophobicContact CD2-CB 4.43Å; W374-P383 VanDerWaalsContact CE3-CA 3.49Å; W374-P383 HydrophobicContact CE3-CB 3.74Å; W374-P383 HydrophobicContact CE3-CG 4.36Å; W374-P383 HydrophobicContact CH2-CB 3.8Å; W374-P383 HydrophobicContact CH2-CG 4.39Å; W374-P383 HydrophobicContact CZ2-CB 4.45Å; W374-P383 HydrophobicContact CZ3-CB 3.41Å; W374-P383 VanDerWaalsContact CZ3-CB 3.41Å; W374-P383 HydrophobicContact CZ3-CG 3.8Å; P383-V385 PolarHBondContact O-N 3.12Å |
| 384 | C | 71.3 | Confident | 65.7 | Low | 23 Ų | 23 | 86.4 Ų | 86.4 | 16% | 0.155 | 45% | 0.445 | C | S | . | . | trans | -79 | 113.1 | 170.8 | -140.5 | 0 | 0 | 0 | 0 | 110.9 | V373 C397 Q398 I399 | V373-C384 HydrophobicContact CB-CB 4.22Å; V373-C384 WeakPolarHBondContact O-CB 3.38Å; V373-C384 PolarHBondContact O-N 3.23Å; V373-C384 VanDerWaalsContact O-N 3.13Å; C384-C397 HydrophobicContact CB-CB 3.91Å; C384-C397 WeakPolarHBondContact CB-SG 3.35Å; C384-C397 VanDerWaalsContact SG-CA 3.6Å; C384-C397 WeakPolarHBondContact SG-CB 3.49Å; C384-C397 CovalentContact SG-SG 2.02Å; C384-C397 PolarHBondContact SG-SG 2.96Å; C384-Q398 PolarHBondContact SG-N 3.29Å; C384-Q398 PolarHBondContact SG-O 2.63Å; C384-I399 HydrophobicContact CB-CG1 4.17Å; C384-I399 VanDerWaalsContact SG-CG1 3.52Å | ||
| 385 | V | 60.2 | Low | 66.1 | Low | 103 Ų | 103 | 82.6 Ų | 82.6 | 62% | 0.624 | 43% | 0.431 | S | S | * | . | trans | -86.2 | -15.2 | -165.4 | -178.7 | 0 | 0 | 0 | 0 | 113.2 | P383 Q398 | P383-V385 PolarHBondContact O-N 3.12Å; V385-Q398 PolarHBondContact N-O 3.02Å | ||
| 386 | K | 59.1 | Low | 66.2 | Low | 126 Ų | 126 | 84 Ų | 84 | 55% | 0.548 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 97.7 | 176.1 | -66.8 | -177.4 | 179.7 | 170.3 | 0 | 111.6 | K388 C397 Q398 | K386-K388 HydrophobicContact CB-CG 4.15Å; K386-K388 PolarHBondContact O-N 3.44Å; K386-K388 VanDerWaalsContact O-N 3.14Å; K386-C397 WeakPolarHBondContact O-CA 3.42Å; K386-Q398 PolarHBondContact O-N 3.13Å |
| 387 | V | 61.1 | Low | 66.7 | Low | 32 Ų | 32 | 82.8 Ų | 82.8 | 19% | 0.194 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 98.6 | 164.8 | -179.7 | 0 | 0 | 0 | 0 | 107.1 | A368 I390 I395 C397 | A368-V387 HydrophobicContact CB-CB 3.86Å; A368-V387 HydrophobicContact CB-CG1 3.79Å; V387-I390 HydrophobicContact CG1-CG1 4.21Å; V387-I395 HydrophobicContact CG1-CG2 4.29Å; V387-C397 HydrophobicContact CB-CB 4.48Å; V387-C397 HydrophobicContact CG2-CB 3.96Å |
| 388 | K | 56.9 | Low | 67.2 | Low | 134 Ų | 134 | 80.9 Ų | 80.9 | 58% | 0.583 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -24.4 | -168.1 | -90.7 | 176.8 | 175.1 | 168.3 | 0 | 114.2 | K386 S396 | K386-K388 HydrophobicContact CB-CG 4.15Å; K386-K388 PolarHBondContact O-N 3.44Å; K386-K388 VanDerWaalsContact O-N 3.14Å; K388-S396 PolarHBondContact N-O 3.36Å |
| 389 | R | 58.4 | Low | 67.5 | Low | 175 Ų | 175 | 77.8 Ų | 77.8 | 66% | 0.66 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -161 | 120.2 | -177.3 | -148.3 | 176.9 | -87.8 | -169.3 | -6.7 | 111.2 | T391 S396 | R389-T391 HydrophobicContact CG-CG2 4.17Å; R389-S396 PolarHBondContact O-N 3.32Å; R389-S396 VanDerWaalsContact O-N 3.16Å; R389-S396 PolarHBondContact O-OG 3.48Å; R389-S396 VanDerWaalsContact O-OG 3.12Å |
| 390 | I | 63.2 | Low | 67.9 | Low | 50 Ų | 50 | 74.4 Ų | 74.4 | 26% | 0.256 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 106.2 | 164.9 | -58.3 | 173.6 | 0 | 0 | 0 | 105.4 | M366 T367 L371 V387 I395 | M366-I390 VanDerWaalsContact O-CD1 3.22Å; M366-I390 WeakPolarHBondContact O-CD1 3.28Å; T367-I390 VanDerWaalsContact C-CD1 3.48Å; L371-I390 HydrophobicContact CD1-CD1 3.88Å; V387-I390 HydrophobicContact CG1-CG1 4.21Å; I390-I395 HydrophobicContact CG1-CG1 4.35Å; I390-I395 HydrophobicContact CG1-CG2 4.49Å; I390-I395 HydrophobicContact CG2-CG1 4.23Å |
| 391 | T | 59.1 | Low | 67.9 | Low | 78 Ų | 78 | 69.1 Ų | 69.1 | 48% | 0.479 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 100.3 | 177.6 | 22.6 | 0 | 0 | 0 | 0 | 107.3 | R389 N393 K394 | R389-T391 HydrophobicContact CG-CG2 4.17Å; T391-N393 VanDerWaalsContact C-N 3.26Å; T391-N393 PolarHBondContact O-N 3.37Å; T391-K394 PolarHBondContact N-O 3.31Å; T391-K394 PolarHBondContact O-N 3.16Å |
| 392 | G | 63.8 | Low | 67.3 | Low | 52 Ų | 52 | 66 Ų | 66 | 54% | 0.536 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | -79.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | K359 | K359-G392 WeakPolarHBondContact CE-O 3.32Å; K359-G392 PolarHBondContact NZ-O 3.16Å |
| 393 | N | 73.8 | Confident | 66.1 | Low | 78 Ų | 78 | 72.1 Ų | 72.1 | 42% | 0.417 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | 3.2 | -173.7 | -54.9 | -14.8 | 0 | 0 | 0 | 113.7 | K359 S361 T391 | K359-N393 PolarHBondContact N-O 3.22Å; S361-N393 VanDerWaalsContact CA-OD1 3.29Å; S361-N393 WeakPolarHBondContact CA-OD1 3.33Å; S361-N393 WeakPolarHBondContact CB-OD1 3.36Å; T391-N393 VanDerWaalsContact C-N 3.26Å; T391-N393 PolarHBondContact O-N 3.37Å |
| 394 | K | 76.9 | Confident | 65.1 | Low | 108 Ų | 108 | 76.1 Ų | 76.1 | 47% | 0.47 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 131.5 | -177.7 | -62 | -176.2 | -175.3 | -177.6 | 0 | 111.7 | V356 I357 T391 | V356-K394 HydrophobicContact CG1-CB 4.19Å; V356-K394 HydrophobicContact CG1-CD 4.28Å; V356-K394 HydrophobicContact CG1-CG 4.42Å; I357-K394 CarbonylContact O-C 3.56Å; I357-K394 WeakPolarHBondContact O-CA 3.37Å; T391-K394 PolarHBondContact N-O 3.31Å; T391-K394 PolarHBondContact O-N 3.16Å |
| 395 | I | 77.4 | Confident | 64.3 | Low | 1 Ų | 1 | 77.7 Ų | 77.7 | 1% | 0.005 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 123.5 | 173.2 | -61.8 | 159 | 0 | 0 | 0 | 107.8 | F341 V356 I357 K359 L371 V387 I390 | F341-I395 HydrophobicContact CE1-CD1 3.78Å; V356-I395 CarbonylContact C-O 3.49Å; V356-I395 WeakPolarHBondContact CA-O 3.39Å; I357-I395 HydrophobicContact CB-CB 4.3Å; I357-I395 PolarHBondContact N-O 3.17Å; I357-I395 PolarHBondContact O-N 3.11Å; K359-I395 HydrophobicContact CD-CD1 4.14Å; L371-I395 HydrophobicContact CD1-CD1 3.81Å; L371-I395 HydrophobicContact CD1-CG1 4.34Å; L371-I395 HydrophobicContact CD1-CG2 4.14Å; V387-I395 HydrophobicContact CG1-CG2 4.29Å; I390-I395 HydrophobicContact CG1-CG1 4.35Å; I390-I395 HydrophobicContact CG1-CG2 4.49Å; I390-I395 HydrophobicContact CG2-CG1 4.23Å |
| 396 | S | 75.1 | Confident | 63.8 | Low | 29 Ų | 29 | 78.3 Ų | 78.3 | 20% | 0.203 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 131.8 | 179.7 | 62 | 0 | 0 | 0 | 0 | 111.7 | V355 K388 R389 | V355-S396 WeakPolarHBondContact O-CA 2.95Å; K388-S396 PolarHBondContact N-O 3.36Å; R389-S396 PolarHBondContact O-N 3.32Å; R389-S396 VanDerWaalsContact O-N 3.16Å; R389-S396 PolarHBondContact O-OG 3.48Å; R389-S396 VanDerWaalsContact O-OG 3.12Å |
| 397 | C | 75.4 | Confident | 63.5 | Low | 2 Ų | 2 | 80.5 Ų | 80.5 | 1% | 0.014 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 155.8 | 177.4 | 89.6 | 0 | 0 | 0 | 0 | 111.4 | R354 V355 C384 K386 V387 | R354-C397 WeakPolarHBondContact CA-O 3.33Å; V355-C397 PolarHBondContact N-O 3.47Å; V355-C397 PolarHBondContact O-N 2.79Å; C384-C397 HydrophobicContact CB-CB 3.91Å; C384-C397 WeakPolarHBondContact CB-SG 3.35Å; C384-C397 VanDerWaalsContact SG-CA 3.6Å; C384-C397 WeakPolarHBondContact SG-CB 3.49Å; C384-C397 CovalentContact SG-SG 2.02Å; C384-C397 PolarHBondContact SG-SG 2.96Å; K386-C397 WeakPolarHBondContact O-CA 3.42Å; V387-C397 HydrophobicContact CB-CB 4.48Å; V387-C397 HydrophobicContact CG2-CB 3.96Å |
| 398 | Q | 75.3 | Confident | 63 | Low | 30 Ų | 30 | 85.3 Ų | 85.3 | 14% | 0.14 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 130.5 | -179.8 | -64.8 | -176 | -64.9 | 0 | 0 | 111.6 | C384 V385 K386 | C384-Q398 PolarHBondContact SG-N 3.29Å; C384-Q398 PolarHBondContact SG-O 2.63Å; V385-Q398 PolarHBondContact N-O 3.02Å; K386-Q398 PolarHBondContact O-N 3.13Å |
| 399 | I | 74.2 | Confident | 62.9 | Low | 7 Ų | 7 | 80.1 Ų | 80.1 | 4% | 0.036 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 123.4 | 173.8 | -55.8 | 177.3 | 0 | 0 | 0 | 107.8 | D352 V353 V355 H382 C384 L409 | D352-I399 WeakPolarHBondContact CA-O 3.17Å; V353-I399 PolarHBondContact N-O 3.18Å; V353-I399 PolarHBondContact O-N 3.46Å; V355-I399 HydrophobicContact CG2-CD1 3.92Å; V355-I399 HydrophobicContact CG2-CG1 4.44Å; H382-I399 HydrophobicContact CB-CG2 3.64Å; C384-I399 HydrophobicContact CB-CG1 4.17Å; C384-I399 VanDerWaalsContact SG-CG1 3.52Å; I399-L409 HydrophobicContact CD1-CD2 3.77Å |
| 400 | H | 68.9 | Low | 62.8 | Low | 128 Ų | 128 | 75.9 Ų | 75.9 | 59% | 0.593 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 129.6 | 179.3 | -169.2 | 63.4 | 0 | 0 | 0 | 110.5 | D352 | D352-H400 WeakPolarHBondContact OD1-CA 3.45Å; D352-H400 IonicContact OD1-CE1 2.61Å; D352-H400 IonicContact OD1-CG 3.72Å; D352-H400 IonicContact OD1-ND1 3.69Å; D352-H400 PolarHBondContact OD1-ND1 3.42Å |
| 401 | R | 64.3 | Low | 62.6 | Low | 47 Ų | 47 | 74.2 Ų | 74.2 | 18% | 0.177 | 41% | 0.409 | C | S | . | . | trans | -124.4 | 148.6 | -174.7 | -144.6 | 179.4 | -172.1 | -173 | 0.3 | 113.3 | N351 E377 I406 | N351-R401 WeakPolarHBondContact O-CA 3.38Å; N351-R401 VanDerWaalsContact O-CB 3.24Å; N351-R401 WeakPolarHBondContact O-CB 3.41Å; N351-R401 PolarHBondContact O-N 3.27Å; E377-R401 IonicContact OE1-NH2 2.72Å; E377-R401 PolarHBondContact OE1-NH2 2.75Å; E377-R401 IonicContact OE2-CZ 2.7Å; E377-R401 IonicContact OE2-NE 3.24Å; E377-R401 IonicContact OE2-NH2 2.66Å; E377-R401 PolarHBondContact OE2-NH2 3.4Å; R401-I406 PolarHBondContact NH1-O 2.87Å; R401-I406 VanDerWaalsContact NH1-O 3.11Å; R401-I406 PolarHBondContact NH2-O 3.08Å | ||
| 402 | G | 55.4 | Low | 62.5 | Low | 61 Ų | 61 | 71.4 Ų | 71.4 | 63% | 0.629 | 39% | 0.394 | S | S | * | . | trans | -82.7 | 162.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N404 | G402-N404 PolarHBondContact O-N 2.96Š| ||
| 403 | K | 49.2 | Very low | 62.2 | Low | 189 Ų | 189 | 70.1 Ų | 70.1 | 82% | 0.822 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -60.4 | -3.5 | -156.5 | -80.3 | -178.5 | 175.1 | 178.6 | 0 | 120.5 | ||
| 404 | N | 48.8 | Very low | 61.4 | Low | 146 Ų | 146 | 69.6 Ų | 69.6 | 78% | 0.781 | 37% | 0.37 | S | S | * | . | trans | -119.5 | 131 | -176.6 | -75.1 | -4.9 | 0 | 0 | 0 | 112.7 | G402 | G402-N404 PolarHBondContact O-N 2.96Š| ||
| 405 | G | 54.1 | Low | 60.4 | Low | 56 Ų | 56 | 67 Ų | 67 | 58% | 0.577 | 36% | 0.361 | S | S | * | . | trans | -91.2 | 149.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 406 | I | 48.6 | Very low | 59.2 | Low | 116 Ų | 116 | 71.9 Ų | 71.9 | 60% | 0.595 | 39% | 0.387 | S | S | * | . | trans | -170.6 | 163.2 | 133.6 | -88.1 | 151.5 | 0 | 0 | 0 | 108.3 | R401 | R401-I406 PolarHBondContact NH1-O 2.87Å; R401-I406 VanDerWaalsContact NH1-O 3.11Å; R401-I406 PolarHBondContact NH2-O 3.08Å | ||
| 407 | F | 52.6 | Low | 57.5 | Low | 171 Ų | 171 | 78.7 Ų | 78.7 | 75% | 0.75 | 41% | 0.413 | S | S | * | . | trans | -107.2 | 20.7 | -142.2 | -70.2 | -91.9 | 0 | 0 | 0 | 116.7 | L409 | F407-L409 PolarHBondContact O-N 2.81Š| ||
| 408 | N | 52.6 | Low | 55.9 | Low | 134 Ų | 134 | 84.7 Ų | 84.7 | 72% | 0.717 | 45% | 0.445 | S | S | * | . | trans | -103.9 | 63.1 | -178.8 | -69.6 | -12.1 | 0 | 0 | 0 | 111.5 | I410 | N408-I410 PolarHBondContact O-N 3Š| ||
| 409 | L | 54.3 | Low | 54.2 | Low | 24 Ų | 24 | 92.2 Ų | 92.2 | 13% | 0.126 | 48% | 0.477 | C | S | . | . | trans | -80.1 | 116.1 | 168.9 | -121.7 | 91.7 | 0 | 0 | 0 | 108.6 | G375 I399 F407 | G375-L409 VanDerWaalsContact CA-CD2 3.43Å; I399-L409 HydrophobicContact CD1-CD2 3.77Å; F407-L409 PolarHBondContact O-N 2.81Å | ||
| 410 | I | 56.5 | Low | 52.8 | Low | 87 Ų | 87 | 94.9 Ų | 94.9 | 45% | 0.446 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 123.6 | 165.3 | -61 | 172.4 | 0 | 0 | 0 | 106.6 | V376 N408 V420 | V376-I410 HydrophobicContact CB-CB 4.3Å; V376-I410 WeakPolarHBondContact CB-O 3.09Å; V376-I410 PolarHBondContact N-O 3.15Å; V376-I410 PolarHBondContact O-N 2.77Å; N408-I410 PolarHBondContact O-N 3Å; I410-V420 HydrophobicContact CG2-CG1 4.31Å |
| 411 | L | 58.7 | Low | 51.4 | Low | 15 Ų | 15 | 94 Ų | 94 | 8% | 0.079 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 115.3 | 178 | -145.7 | 81.8 | 0 | 0 | 0 | 109.9 | F344 V355 I357 V373 V413 | F344-L411 HydrophobicContact CB-CD2 4.41Å; F344-L411 HydrophobicContact CD1-CB 4.4Å; F344-L411 HydrophobicContact CE1-CB 4.49Å; V355-L411 HydrophobicContact CB-CD1 4.48Å; V355-L411 HydrophobicContact CG1-CD1 3.74Å; V355-L411 HydrophobicContact CG1-CD2 3.85Å; V355-L411 HydrophobicContact CG1-CG 4.47Å; V355-L411 HydrophobicContact CG2-CD1 4.24Å; I357-L411 HydrophobicContact CD1-CD2 3.39Å; I357-L411 HydrophobicContact CG1-CD2 3.48Å; I357-L411 VanDerWaalsContact CG1-CD2 3.48Å; V373-L411 HydrophobicContact CG1-CD1 4.07Å; V373-L411 HydrophobicContact CG1-CD2 3.89Å; V373-L411 HydrophobicContact CG1-CG 3.94Å; L411-V413 HydrophobicContact CD2-CG2 3.99Å |
| 412 | A | 55.7 | Low | 50.3 | Low | 19 Ų | 19 | 100.5 Ų | 100.5 | 16% | 0.157 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 108.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | W374 V376 | W374-A412 PolarHBondContact N-O 3.42Å; W374-A412 VanDerWaalsContact N-O 3.11Å; W374-A412 PolarHBondContact O-N 3.39Å; V376-A412 HydrophobicContact CG2-CB 4.05Å |
| 413 | V | 58.3 | Low | 49.3 | Very low | 25 Ų | 25 | 100.7 Ų | 100.7 | 15% | 0.152 | 52% | 0.521 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 111.5 | 171.7 | -176.1 | 0 | 0 | 0 | 0 | 107.4 | F341 I357 L411 | F341-V413 HydrophobicContact CE1-CG1 4.31Å; F341-V413 HydrophobicContact CE2-CG1 4.13Å; F341-V413 HydrophobicContact CZ-CG1 3.98Å; I357-V413 HydrophobicContact CD1-CG2 3.89Å; L411-V413 HydrophobicContact CD2-CG2 3.99Å |
| 414 | H | 58.1 | Low | 48.6 | Very low | 66 Ų | 66 | 101.6 Ų | 101.6 | 31% | 0.306 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 109.4 | -180 | -117.1 | 66.3 | 0 | 0 | 0 | 110.8 | L372 N418 | L372-H414 PolarHBondContact O-N 2.95Å; H414-N418 PolarHBondContact CE1-OD1 3.04Å; H414-N418 PolarHBondContact NE2-N 3.31Å; H414-N418 PolarHBondContact NE2-OD1 3.34Å; H414-N418 VanDerWaalsContact NE2-OD1 3.1Å |
| 415 | L | 56 | Low | 48.1 | Very low | 53 Ų | 53 | 99.5 Ų | 99.5 | 28% | 0.277 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -106.1 | 87.3 | 157.4 | -79.1 | 146.4 | 0 | 0 | 0 | 106.7 | W263 P339 F341 K417 | W263-L415 HydrophobicContact CH2-CD2 4.02Å; W263-L415 HydrophobicContact CZ2-CD2 4.09Å; W263-L415 HydrophobicContact CZ3-CD2 4.27Å; P339-L415 HydrophobicContact CG-CD1 3.66Å; F341-L415 HydrophobicContact CE2-CD1 3.46Å; F341-L415 VanDerWaalsContact CE2-CD1 3.46Å; F341-L415 HydrophobicContact CZ-CD1 3.61Å; L415-K417 PolarHBondContact O-N 2.75Å |
| 416 | L | 51.4 | Low | 47.7 | Very low | 105 Ų | 105 | 104.6 Ų | 104.6 | 55% | 0.55 | 53% | 0.528 | S | S | . | . | S | Bend | trans | 28.7 | 80.3 | 173.5 | -80.6 | 154.8 | 0 | 0 | 0 | 116.2 | K267 W306 | K267-L416 HydrophobicContact CB-CD1 4.19Å; K267-L416 HydrophobicContact CD-CB 4.43Å; K267-L416 WeakPolarHBondContact O-CD1 3.45Å; W306-L416 HydrophobicContact CZ3-CD1 4.16Å |
| 417 | K | 38.2 | Very low | 47.7 | Very low | 171 Ų | 171 | 106.1 Ų | 106.1 | 74% | 0.743 | 53% | 0.533 | S | S | * | . | S | Bend | trans | 104.6 | 96.5 | 172.8 | -68.3 | -165.4 | 173.2 | -171.5 | 0 | 116 | L415 | L415-K417 PolarHBondContact O-N 2.75Š|
| 418 | N | 43.5 | Very low | 47.7 | Very low | 129 Ų | 129 | 104.6 Ų | 104.6 | 69% | 0.69 | 53% | 0.531 | S | S | * | . | trans | 31.2 | 85.6 | 152.1 | -72.1 | 1.1 | 0 | 0 | 0 | 118.2 | H414 | H414-N418 PolarHBondContact CE1-OD1 3.04Å; H414-N418 PolarHBondContact NE2-N 3.31Å; H414-N418 PolarHBondContact NE2-OD1 3.34Å; H414-N418 VanDerWaalsContact NE2-OD1 3.1Å | ||
| 419 | K | 39.6 | Very low | 47.9 | Very low | 187 Ų | 187 | 103.3 Ų | 103.3 | 81% | 0.813 | 52% | 0.523 | S | S | * | . | trans | -129.4 | 118.8 | 143.4 | -97 | -174.7 | 175.9 | -179.8 | 0 | 109.3 | ||||
| 420 | V | 43.9 | Very low | 47.9 | Very low | 64 Ų | 64 | 107 Ų | 107 | 39% | 0.388 | 54% | 0.542 | S | S | . | . | trans | -95.3 | 128 | 170.9 | 179.5 | 0 | 0 | 0 | 0 | 106.8 | I410 Y422 | I410-V420 HydrophobicContact CG2-CG1 4.31Å; V420-Y422 HydrophobicContact CB-CD2 4.5Å; V420-Y422 HydrophobicContact CB-CE2 3.91Å; V420-Y422 HydrophobicContact CG1-CD2 4.26Å; V420-Y422 HydrophobicContact CG1-CE1 4.38Å; V420-Y422 HydrophobicContact CG1-CE2 3.73Å | ||
| 421 | L | 39.9 | Very low | 48 | Very low | 110 Ų | 110 | 107.6 Ų | 107.6 | 58% | 0.576 | 55% | 0.55 | S | S | * | . | trans | -77.1 | 121.4 | 173.6 | -111.4 | 95.7 | 0 | 0 | 0 | 109.3 | ||||
| 422 | Y | 41.5 | Very low | 48.2 | Very low | 182 Ų | 182 | 110.8 Ų | 110.8 | 71% | 0.714 | 57% | 0.57 | S | S | * | * | trans | -113.6 | 129.6 | 165.5 | -65 | -82.8 | 0 | 0 | 0 | 108.4 | V420 | V420-Y422 HydrophobicContact CB-CD2 4.5Å; V420-Y422 HydrophobicContact CB-CE2 3.91Å; V420-Y422 HydrophobicContact CG1-CD2 4.26Å; V420-Y422 HydrophobicContact CG1-CE1 4.38Å; V420-Y422 HydrophobicContact CG1-CE2 3.73Å | ||
| 423 | G | 34.1 | Very low | 48.4 | Very low | 66 Ų | 66 | 115.2 Ų | 115.2 | 68% | 0.68 | 59% | 0.588 | S | S | * | * | trans | -105.5 | 114.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 424 | F | 33.5 | Very low | 48.8 | Very low | 208 Ų | 208 | 120 Ų | 120 | 91% | 0.912 | 61% | 0.609 | S | S | * | * | trans | -148 | 161.4 | 162.6 | -80 | -66.1 | 0 | 0 | 0 | 113.4 | ||||
| 425 | S | 39.1 | Very low | 49 | Very low | 101 Ų | 101 | 122.9 Ų | 122.9 | 71% | 0.706 | 63% | 0.626 | S | S | * | * | trans | -68.1 | 143.1 | -148.5 | -165.3 | 0 | 0 | 0 | 0 | 117.6 | H427 | S425-H427 PolarHBondContact O-N 3Š| ||
| 426 | F | 45 | Very low | 49.6 | Very low | 163 Ų | 163 | 125 Ų | 125 | 72% | 0.715 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -6.3 | -161.1 | -165.3 | -104 | 0 | 0 | 0 | 116.2 | ||
| 427 | H | 48.3 | Very low | 50.5 | Low | 149 Ų | 149 | 126.4 Ų | 126.4 | 69% | 0.69 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -17.5 | -167.1 | -90.9 | -65.9 | 0 | 0 | 0 | 116.8 | S425 | S425-H427 PolarHBondContact O-N 3Š|
| 428 | I | 52.7 | Low | 52.3 | Low | 138 Ų | 138 | 122.6 Ų | 122.6 | 71% | 0.708 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -22.4 | -176.6 | -62 | 175 | 0 | 0 | 0 | 112.2 | T431 | I428-T431 PolarHBondContact O-OG1 3.47Š|
| 429 | I | 57.8 | Low | 53.7 | Low | 108 Ų | 108 | 121 Ų | 121 | 55% | 0.554 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -78.6 | -31.3 | -178.2 | -64.1 | 171.8 | 0 | 0 | 0 | 111.6 | T431 V432 M433 | I429-T431 PolarHBondContact O-N 3.3Å; I429-V432 PolarHBondContact O-N 3.26Å; I429-M433 HydrophobicContact CG2-CE 4.2Å; I429-M433 HydrophobicContact CG2-CG 3.82Å; I429-M433 WeakPolarHBondContact O-CB 3.26Å; I429-M433 WeakPolarHBondContact O-CG 3.43Å; I429-M433 PolarHBondContact O-N 3.01Å |
| 430 | L | 54.8 | Low | 55.4 | Low | 102 Ų | 102 | 118.2 Ų | 118.2 | 53% | 0.534 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.5 | -33.9 | -173.8 | -156 | 75.1 | 0 | 0 | 0 | 112.8 | H434 | L430-H434 PolarHBondContact O-N 3.48Å; L430-H434 VanDerWaalsContact O-N 3.17Å |
| 431 | T | 57.4 | Low | 56.8 | Low | 98 Ų | 98 | 118.2 Ų | 118.2 | 60% | 0.601 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -76.3 | -35.9 | 179.8 | 49.1 | 0 | 0 | 0 | 0 | 112.4 | I428 I429 L435 | I428-T431 PolarHBondContact O-OG1 3.47Å; I429-T431 PolarHBondContact O-N 3.3Å; T431-L435 PolarHBondContact O-N 3.05Å |
| 432 | V | 63.6 | Low | 58.5 | Low | 82 Ų | 82 | 120.1 Ų | 120.1 | 50% | 0.497 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -73.4 | -37 | 175.9 | -179.3 | 0 | 0 | 0 | 0 | 111.2 | I429 L435 L436 | I429-V432 PolarHBondContact O-N 3.26Å; V432-L435 PolarHBondContact O-N 3.31Å; V432-L436 HydrophobicContact CG1-CD1 3.99Å; V432-L436 WeakPolarHBondContact O-CG 3.32Å; V432-L436 PolarHBondContact O-N 2.7Å; V432-L436 VanDerWaalsContact O-N 3.09Å |
| 433 | M | 60.7 | Low | 60.1 | Low | 112 Ų | 112 | 116.8 Ų | 116.8 | 55% | 0.552 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.3 | -33.4 | 176.1 | -72.7 | -68.4 | 169 | 0 | 0 | 112.7 | I429 Y437 | I429-M433 HydrophobicContact CG2-CE 4.2Å; I429-M433 HydrophobicContact CG2-CG 3.82Å; I429-M433 WeakPolarHBondContact O-CB 3.26Å; I429-M433 WeakPolarHBondContact O-CG 3.43Å; I429-M433 PolarHBondContact O-N 3.01Å; M433-Y437 WeakPolarHBondContact O-CB 3.5Å; M433-Y437 PolarHBondContact O-N 3.41Å |
| 434 | H | 65.6 | Low | 62 | Low | 126 Ų | 126 | 116.9 Ų | 116.9 | 58% | 0.583 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -68.5 | -38.2 | 176.5 | -121.9 | -60.8 | 0 | 0 | 0 | 112.5 | L430 Y437 V438 | L430-H434 PolarHBondContact O-N 3.48Å; L430-H434 VanDerWaalsContact O-N 3.17Å; H434-Y437 PolarHBondContact O-N 3.35Å; H434-V438 WeakPolarHBondContact O-CG2 3.43Å; H434-V438 PolarHBondContact O-N 3.1Å |
| 435 | L | 62.2 | Low | 64.1 | Low | 127 Ų | 127 | 111.9 Ų | 111.9 | 67% | 0.665 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -70.7 | -39.6 | 177.7 | -156.7 | 76.2 | 0 | 0 | 0 | 111.5 | T431 V432 I439 | T431-L435 PolarHBondContact O-N 3.05Å; V432-L435 PolarHBondContact O-N 3.31Å; L435-I439 WeakPolarHBondContact O-CG1 2.83Å; L435-I439 PolarHBondContact O-N 3.49Å |
| 436 | L | 68.3 | Low | 65.9 | Low | 97 Ų | 97 | 112.1 Ų | 112.1 | 51% | 0.508 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.5 | -33.6 | 174.6 | -73.5 | 169.2 | 0 | 0 | 0 | 112.7 | V432 I439 F440 | V432-L436 HydrophobicContact CG1-CD1 3.99Å; V432-L436 WeakPolarHBondContact O-CG 3.32Å; V432-L436 PolarHBondContact O-N 2.7Å; V432-L436 VanDerWaalsContact O-N 3.09Å; L436-I439 PolarHBondContact O-N 3.33Å; L436-F440 WeakPolarHBondContact O-CB 3.28Å; L436-F440 PolarHBondContact O-N 2.87Å |
| 437 | Y | 70.6 | Confident | 67 | Low | 134 Ų | 134 | 107.7 Ų | 107.7 | 53% | 0.525 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.1 | -37.8 | 177.6 | -176.7 | -108.8 | 0 | 0 | 0 | 112.4 | M433 H434 F440 L441 | M433-Y437 WeakPolarHBondContact O-CB 3.5Å; M433-Y437 PolarHBondContact O-N 3.41Å; H434-Y437 PolarHBondContact O-N 3.35Å; Y437-F440 PolarHBondContact O-N 3.32Å; Y437-L441 HydrophobicContact CD1-CD1 3.62Å; Y437-L441 HydrophobicContact CD1-CG 4.43Å; Y437-L441 HydrophobicContact CE1-CD1 3.21Å; Y437-L441 HydrophobicContact CE1-CG 4.11Å; Y437-L441 HydrophobicContact CE2-CD1 4.32Å; Y437-L441 HydrophobicContact CE2-CG 4.37Å; Y437-L441 HydrophobicContact CG-CD1 4.34Å; Y437-L441 WeakPolarHBondContact O-CB 2.96Å; Y437-L441 WeakPolarHBondContact O-CG 3.3Å; Y437-L441 PolarHBondContact O-N 3.01Å |
| 438 | V | 75.5 | Confident | 68.1 | Low | 91 Ų | 91 | 103.4 Ų | 103.4 | 55% | 0.552 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.3 | -40.3 | 176.7 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | H434 L441 F442 | H434-V438 WeakPolarHBondContact O-CG2 3.43Å; H434-V438 PolarHBondContact O-N 3.1Å; V438-L441 PolarHBondContact O-N 2.89Å; V438-F442 PolarHBondContact O-N 2.9Å; V438-F442 VanDerWaalsContact O-N 3.1Å |
| 439 | I | 74.4 | Confident | 69.2 | Low | 97 Ų | 97 | 101.3 Ų | 101.3 | 50% | 0.497 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 175.2 | -64 | 168.6 | 0 | 0 | 0 | 110.5 | L435 L436 F442 Q443 | L435-I439 WeakPolarHBondContact O-CG1 2.83Å; L435-I439 PolarHBondContact O-N 3.49Å; L436-I439 PolarHBondContact O-N 3.33Å; I439-F442 PolarHBondContact O-N 2.81Å; I439-Q443 VanDerWaalsContact O-CG 3.31Å; I439-Q443 WeakPolarHBondContact O-CG 2.91Å; I439-Q443 PolarHBondContact O-N 3.11Å |
| 440 | F | 73.5 | Confident | 69.9 | Low | 127 Ų | 127 | 101.1 Ų | 101.1 | 56% | 0.557 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67 | -37.9 | 177 | -175.1 | -109.9 | 0 | 0 | 0 | 112.4 | L436 Y437 Q443 L444 | L436-F440 WeakPolarHBondContact O-CB 3.28Å; L436-F440 PolarHBondContact O-N 2.87Å; Y437-F440 PolarHBondContact O-N 3.32Å; F440-Q443 PolarHBondContact O-N 3.37Å; F440-L444 HydrophobicContact CD1-CD1 3.57Å; F440-L444 HydrophobicContact CD1-CG 4.44Å; F440-L444 HydrophobicContact CE1-CD1 3.16Å; F440-L444 HydrophobicContact CE1-CG 4.07Å; F440-L444 HydrophobicContact CE2-CD1 4.49Å; F440-L444 HydrophobicContact CG-CD1 4.39Å; F440-L444 HydrophobicContact CZ-CD1 3.69Å; F440-L444 HydrophobicContact CZ-CG 4.15Å; F440-L444 VanDerWaalsContact O-CB 3.27Å; F440-L444 WeakPolarHBondContact O-CB 3.46Å; F440-L444 PolarHBondContact O-N 3.41Å |
| 441 | L | 75.1 | Confident | 70.5 | Confident | 65 Ų | 65 | 101.8 Ų | 101.8 | 34% | 0.34 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 173.8 | -87.5 | 167.8 | 0 | 0 | 0 | 112 | Y437 V438 L444 I445 | Y437-L441 HydrophobicContact CD1-CD1 3.62Å; Y437-L441 HydrophobicContact CD1-CG 4.43Å; Y437-L441 HydrophobicContact CE1-CD1 3.21Å; Y437-L441 HydrophobicContact CE1-CG 4.11Å; Y437-L441 HydrophobicContact CE2-CD1 4.32Å; Y437-L441 HydrophobicContact CE2-CG 4.37Å; Y437-L441 HydrophobicContact CG-CD1 4.34Å; Y437-L441 WeakPolarHBondContact O-CB 2.96Å; Y437-L441 WeakPolarHBondContact O-CG 3.3Å; Y437-L441 PolarHBondContact O-N 3.01Å; V438-L441 PolarHBondContact O-N 2.89Å; L441-L444 PolarHBondContact O-N 2.82Å; L441-I445 VanDerWaalsContact O-CG1 3.23Å; L441-I445 WeakPolarHBondContact O-CG1 3.28Å; L441-I445 PolarHBondContact O-N 2.87Å |
| 442 | F | 75.5 | Confident | 70.9 | Confident | 149 Ų | 149 | 103.8 Ų | 103.8 | 65% | 0.654 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.1 | -40.5 | 177 | -159.2 | -94.5 | 0 | 0 | 0 | 111.6 | V438 I439 I445 L446 | V438-F442 PolarHBondContact O-N 2.9Å; V438-F442 VanDerWaalsContact O-N 3.1Å; I439-F442 PolarHBondContact O-N 2.81Å; F442-I445 PolarHBondContact O-N 2.84Å; F442-L446 WeakPolarHBondContact O-CB 3.21Å; F442-L446 PolarHBondContact O-N 2.77Å |
| 443 | Q | 74.3 | Confident | 70.9 | Confident | 112 Ų | 112 | 108.5 Ų | 108.5 | 52% | 0.523 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.5 | -34.6 | 173.2 | -69 | -65.8 | -30.7 | 0 | 0 | 112.6 | I439 F440 S447 | I439-Q443 VanDerWaalsContact O-CG 3.31Å; I439-Q443 WeakPolarHBondContact O-CG 2.91Å; I439-Q443 PolarHBondContact O-N 3.11Å; F440-Q443 PolarHBondContact O-N 3.37Å; Q443-S447 WeakPolarHBondContact O-CA 3.46Å; Q443-S447 WeakPolarHBondContact O-CB 3.17Å; Q443-S447 PolarHBondContact O-N 3.17Å |
| 444 | L | 75 | Confident | 70.6 | Confident | 69 Ų | 69 | 107.1 Ų | 107.1 | 36% | 0.361 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.2 | -38.5 | 173.9 | -100.6 | 166.6 | 0 | 0 | 0 | 112.2 | F440 L441 T448 | F440-L444 HydrophobicContact CD1-CD1 3.57Å; F440-L444 HydrophobicContact CD1-CG 4.44Å; F440-L444 HydrophobicContact CE1-CD1 3.16Å; F440-L444 HydrophobicContact CE1-CG 4.07Å; F440-L444 HydrophobicContact CE2-CD1 4.49Å; F440-L444 HydrophobicContact CG-CD1 4.39Å; F440-L444 HydrophobicContact CZ-CD1 3.69Å; F440-L444 HydrophobicContact CZ-CG 4.15Å; F440-L444 VanDerWaalsContact O-CB 3.27Å; F440-L444 WeakPolarHBondContact O-CB 3.46Å; F440-L444 PolarHBondContact O-N 3.41Å; L441-L444 PolarHBondContact O-N 2.82Å; L444-T448 HydrophobicContact CD2-CG2 4.49Å; L444-T448 VanDerWaalsContact O-CB 3.24Å; L444-T448 WeakPolarHBondContact O-CB 3.26Å; L444-T448 WeakPolarHBondContact O-CG2 3.27Å; L444-T448 PolarHBondContact O-N 3.3Å; L444-T448 PolarHBondContact O-OG1 3.26Å |
| 445 | I | 77.4 | Confident | 70 | Confident | 102 Ų | 102 | 103.9 Ų | 103.9 | 52% | 0.523 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.8 | -43.2 | 177.1 | -68.1 | 164.3 | 0 | 0 | 0 | 109.8 | L441 F442 T448 V449 | L441-I445 VanDerWaalsContact O-CG1 3.23Å; L441-I445 WeakPolarHBondContact O-CG1 3.28Å; L441-I445 PolarHBondContact O-N 2.87Å; F442-I445 PolarHBondContact O-N 2.84Å; I445-T448 WeakPolarHBondContact CA-OG1 3.48Å; I445-T448 PolarHBondContact O-N 3.38Å; I445-T448 PolarHBondContact O-OG1 2.88Å; I445-T448 VanDerWaalsContact O-OG1 3.05Å; I445-V449 WeakPolarHBondContact O-CB 3.33Å; I445-V449 VanDerWaalsContact O-CG2 3.26Å; I445-V449 WeakPolarHBondContact O-CG2 3.49Å; I445-V449 PolarHBondContact O-N 2.89Å |
| 446 | L | 75.3 | Confident | 69.3 | Low | 107 Ų | 107 | 105.3 Ų | 105.3 | 56% | 0.56 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.3 | -40.9 | 175.8 | -153.3 | 77.7 | 0 | 0 | 0 | 111.7 | F442 L450 | F442-L446 WeakPolarHBondContact O-CB 3.21Å; F442-L446 PolarHBondContact O-N 2.77Å; L446-L450 WeakPolarHBondContact O-CB 3.18Å; L446-L450 PolarHBondContact O-N 2.82Å |
| 447 | S | 68.6 | Low | 68.3 | Low | 70 Ų | 70 | 104 Ų | 104 | 49% | 0.49 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.9 | -37.4 | 175.9 | 176.7 | 0 | 0 | 0 | 0 | 112.4 | Q443 F451 | Q443-S447 WeakPolarHBondContact O-CA 3.46Å; Q443-S447 WeakPolarHBondContact O-CB 3.17Å; Q443-S447 PolarHBondContact O-N 3.17Å; S447-F451 WeakPolarHBondContact O-CA 3.21Å; S447-F451 WeakPolarHBondContact O-CB 3.32Å; S447-F451 PolarHBondContact O-N 3.46Å |
| 448 | T | 71.4 | Confident | 67 | Low | 58 Ų | 58 | 101.3 Ų | 101.3 | 36% | 0.356 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -74.2 | -36.7 | 176.9 | 49.2 | 0 | 0 | 0 | 0 | 111.8 | L444 I445 F451 F452 | L444-T448 HydrophobicContact CD2-CG2 4.49Å; L444-T448 VanDerWaalsContact O-CB 3.24Å; L444-T448 WeakPolarHBondContact O-CB 3.26Å; L444-T448 WeakPolarHBondContact O-CG2 3.27Å; L444-T448 PolarHBondContact O-N 3.3Å; L444-T448 PolarHBondContact O-OG1 3.26Å; I445-T448 WeakPolarHBondContact CA-OG1 3.48Å; I445-T448 PolarHBondContact O-N 3.38Å; I445-T448 PolarHBondContact O-OG1 2.88Å; I445-T448 VanDerWaalsContact O-OG1 3.05Å; T448-F451 CarbonylContact O-C 3.59Å; T448-F451 PolarHBondContact O-N 3.43Å; T448-F452 WeakPolarHBondContact O-CB 3.41Å; T448-F452 VanDerWaalsContact O-CD2 3.32Å; T448-F452 WeakPolarHBondContact O-CD2 3.37Å; T448-F452 PolarHBondContact O-N 2.67Å |
| 449 | V | 75.9 | Confident | 65.7 | Low | 94 Ų | 94 | 102.3 Ų | 102.3 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.4 | -43.5 | 172.4 | 172 | 0 | 0 | 0 | 0 | 110.6 | I445 F452 Y453 | I445-V449 WeakPolarHBondContact O-CB 3.33Å; I445-V449 VanDerWaalsContact O-CG2 3.26Å; I445-V449 WeakPolarHBondContact O-CG2 3.49Å; I445-V449 PolarHBondContact O-N 2.89Å; V449-F452 PolarHBondContact O-N 2.85Å; V449-Y453 VanDerWaalsContact O-CB 3.28Å; V449-Y453 WeakPolarHBondContact O-CB 3.38Å; V449-Y453 PolarHBondContact O-N 2.83Å |
| 450 | L | 72.8 | Confident | 64.3 | Low | 105 Ų | 105 | 102.8 Ų | 102.8 | 55% | 0.55 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.4 | -39.4 | 174 | -172.2 | 67.8 | 0 | 0 | 0 | 111.3 | L446 Y453 I454 | L446-L450 WeakPolarHBondContact O-CB 3.18Å; L446-L450 PolarHBondContact O-N 2.82Å; L450-Y453 PolarHBondContact O-N 2.74Å; L450-I454 HydrophobicContact CD1-CD1 4.14Å; L450-I454 HydrophobicContact CD1-CG1 4.49Å; L450-I454 HydrophobicContact CD2-CD1 4.34Å; L450-I454 HydrophobicContact CG-CD1 3.75Å; L450-I454 HydrophobicContact CG-CG1 4.42Å; L450-I454 WeakPolarHBondContact O-CB 3.32Å; L450-I454 WeakPolarHBondContact O-CG1 3.46Å; L450-I454 PolarHBondContact O-N 2.84Å |
| 451 | F | 67.3 | Low | 62.8 | Low | 116 Ų | 116 | 100 Ų | 100 | 51% | 0.509 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.8 | -37.9 | 175.7 | -178.3 | -99.3 | 0 | 0 | 0 | 111.5 | S447 T448 L455 | S447-F451 WeakPolarHBondContact O-CA 3.21Å; S447-F451 WeakPolarHBondContact O-CB 3.32Å; S447-F451 PolarHBondContact O-N 3.46Å; T448-F451 CarbonylContact O-C 3.59Å; T448-F451 PolarHBondContact O-N 3.43Å; F451-L455 HydrophobicContact CE1-CB 4.44Å; F451-L455 HydrophobicContact CE1-CD1 4.32Å; F451-L455 HydrophobicContact CE1-CD2 3.91Å; F451-L455 HydrophobicContact CE1-CG 4.46Å; F451-L455 HydrophobicContact CZ-CD1 4.05Å; F451-L455 HydrophobicContact CZ-CD2 4.44Å; F451-L455 WeakPolarHBondContact O-CA 3.42Å; F451-L455 WeakPolarHBondContact O-CB 3.48Å; F451-L455 PolarHBondContact O-N 3.43Å |
| 452 | F | 65.3 | Low | 61.3 | Low | 139 Ų | 139 | 100.5 Ų | 100.5 | 61% | 0.61 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -72.4 | -33.4 | 174 | -93.9 | -78.9 | 0 | 0 | 0 | 112 | T448 V449 K456 | T448-F452 WeakPolarHBondContact O-CB 3.41Å; T448-F452 VanDerWaalsContact O-CD2 3.32Å; T448-F452 WeakPolarHBondContact O-CD2 3.37Å; T448-F452 PolarHBondContact O-N 2.67Å; V449-F452 PolarHBondContact O-N 2.85Å; F452-K456 WeakPolarHBondContact O-CB 3.27Å; F452-K456 PolarHBondContact O-N 3.07Å |
| 453 | Y | 63.5 | Low | 59.3 | Low | 182 Ų | 182 | 97.7 Ų | 97.7 | 71% | 0.714 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.5 | -45.3 | 172.6 | -164.6 | -92.8 | 0 | 0 | 0 | 111.1 | V449 L450 S457 | V449-Y453 VanDerWaalsContact O-CB 3.28Å; V449-Y453 WeakPolarHBondContact O-CB 3.38Å; V449-Y453 PolarHBondContact O-N 2.83Å; L450-Y453 PolarHBondContact O-N 2.74Å; Y453-S457 WeakPolarHBondContact O-CB 3.26Å; Y453-S457 PolarHBondContact O-N 3.05Å |
| 454 | I | 56 | Low | 57.5 | Low | 83 Ų | 83 | 96.4 Ų | 96.4 | 43% | 0.426 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.6 | -42.5 | 174.4 | -68.7 | 171 | 0 | 0 | 0 | 110.6 | L450 S457 T458 | L450-I454 HydrophobicContact CD1-CD1 4.14Å; L450-I454 HydrophobicContact CD1-CG1 4.49Å; L450-I454 HydrophobicContact CD2-CD1 4.34Å; L450-I454 HydrophobicContact CG-CD1 3.75Å; L450-I454 HydrophobicContact CG-CG1 4.42Å; L450-I454 WeakPolarHBondContact O-CB 3.32Å; L450-I454 WeakPolarHBondContact O-CG1 3.46Å; L450-I454 PolarHBondContact O-N 2.84Å; I454-S457 CarbonylContact O-C 3.53Å; I454-S457 WeakPolarHBondContact O-CB 3.41Å; I454-S457 PolarHBondContact O-N 3.03Å; I454-T458 WeakPolarHBondContact O-CA 3.29Å; I454-T458 WeakPolarHBondContact O-CB 3.37Å; I454-T458 PolarHBondContact O-N 3.09Å; I454-T458 PolarHBondContact O-OG1 2.63Å |
| 455 | L | 51.4 | Low | 55.7 | Low | 57 Ų | 57 | 96.8 Ų | 96.8 | 30% | 0.298 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -70.6 | -34.5 | -179.4 | -168.7 | 78.2 | 0 | 0 | 0 | 111.2 | F451 T458 L459 | F451-L455 HydrophobicContact CE1-CB 4.44Å; F451-L455 HydrophobicContact CE1-CD1 4.32Å; F451-L455 HydrophobicContact CE1-CD2 3.91Å; F451-L455 HydrophobicContact CE1-CG 4.46Å; F451-L455 HydrophobicContact CZ-CD1 4.05Å; F451-L455 HydrophobicContact CZ-CD2 4.44Å; F451-L455 WeakPolarHBondContact O-CA 3.42Å; F451-L455 WeakPolarHBondContact O-CB 3.48Å; F451-L455 PolarHBondContact O-N 3.43Å; L455-T458 CarbonylContact O-C 3.58Å; L455-T458 PolarHBondContact O-N 3.14Å; L455-L459 HydrophobicContact CD1-CD1 4.15Å; L455-L459 HydrophobicContact CD1-CG 4.44Å; L455-L459 HydrophobicContact CD2-CD1 4.07Å; L455-L459 HydrophobicContact CG-CD1 3.67Å; L455-L459 HydrophobicContact CG-CG 4.3Å; L455-L459 VanDerWaalsContact O-CB 3.23Å; L455-L459 WeakPolarHBondContact O-CB 3.47Å; L455-L459 WeakPolarHBondContact O-CG 3.48Å; L455-L459 PolarHBondContact O-N 3.38Å |
| 456 | K | 48.8 | Very low | 53.6 | Low | 157 Ų | 157 | 98.1 Ų | 98.1 | 68% | 0.683 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.5 | -35 | 171.6 | -170.9 | 164.3 | -177.5 | 174.2 | 0 | 111.8 | F452 N460 | F452-K456 WeakPolarHBondContact O-CB 3.27Å; F452-K456 PolarHBondContact O-N 3.07Å; K456-N460 PolarHBondContact O-N 2.75Å |
| 457 | S | 46.5 | Very low | 51.8 | Low | 69 Ų | 69 | 99 Ų | 99 | 48% | 0.483 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.9 | -39.4 | 168.1 | 156.4 | 0 | 0 | 0 | 0 | 112.3 | Y453 I454 S461 | Y453-S457 WeakPolarHBondContact O-CB 3.26Å; Y453-S457 PolarHBondContact O-N 3.05Å; I454-S457 CarbonylContact O-C 3.53Å; I454-S457 WeakPolarHBondContact O-CB 3.41Å; I454-S457 PolarHBondContact O-N 3.03Å; S457-S461 WeakPolarHBondContact O-CB 3.18Å; S457-S461 PolarHBondContact O-N 2.85Å; S457-S461 VanDerWaalsContact O-N 3.15Å |
| 458 | T | 44.3 | Very low | 50.2 | Low | 78 Ų | 78 | 98.9 Ų | 98.9 | 48% | 0.479 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -87.1 | -16.6 | -172.7 | -47.9 | 0 | 0 | 0 | 0 | 112.9 | I454 L455 P462 | I454-T458 WeakPolarHBondContact O-CA 3.29Å; I454-T458 WeakPolarHBondContact O-CB 3.37Å; I454-T458 PolarHBondContact O-N 3.09Å; I454-T458 PolarHBondContact O-OG1 2.63Å; L455-T458 CarbonylContact O-C 3.58Å; L455-T458 PolarHBondContact O-N 3.14Å; T458-P462 WeakPolarHBondContact O-CD 3.35Å; T458-P462 WeakPolarHBondContact O-CG 3.4Å |
| 459 | L | 47.6 | Very low | 48.5 | Very low | 112 Ų | 112 | 98.8 Ų | 98.8 | 59% | 0.586 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -93.9 | -27.8 | 172.5 | -79.4 | 165.3 | 0 | 0 | 0 | 113 | L455 | L455-L459 HydrophobicContact CD1-CD1 4.15Å; L455-L459 HydrophobicContact CD1-CG 4.44Å; L455-L459 HydrophobicContact CD2-CD1 4.07Å; L455-L459 HydrophobicContact CG-CD1 3.67Å; L455-L459 HydrophobicContact CG-CG 4.3Å; L455-L459 VanDerWaalsContact O-CB 3.23Å; L455-L459 WeakPolarHBondContact O-CB 3.47Å; L455-L459 WeakPolarHBondContact O-CG 3.48Å; L455-L459 PolarHBondContact O-N 3.38Å |
| 460 | N | 44.4 | Very low | 46.7 | Very low | 108 Ų | 108 | 98.6 Ų | 98.6 | 58% | 0.578 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -85.9 | -25.2 | 174.4 | -87 | 5.1 | 0 | 0 | 0 | 113.6 | K456 V464 | K456-N460 PolarHBondContact O-N 2.75Å; N460-V464 WeakPolarHBondContact O-CB 3.45Å; N460-V464 VanDerWaalsContact O-CG2 3.27Å; N460-V464 WeakPolarHBondContact O-CG2 2.99Å; N460-V464 PolarHBondContact O-N 2.71Å |
| 461 | S | 43.3 | Very low | 45 | Very low | 67 Ų | 67 | 99.5 Ų | 99.5 | 47% | 0.469 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68 | -44.3 | 175.8 | -95.9 | 0 | 0 | 0 | 0 | 114.5 | S457 C463 C465 | S457-S461 WeakPolarHBondContact O-CB 3.18Å; S457-S461 PolarHBondContact O-N 2.85Å; S457-S461 VanDerWaalsContact O-N 3.15Å; S461-C463 PolarHBondContact O-N 2.08Å; S461-C465 WeakPolarHBondContact O-CB 3.23Å; S461-C465 PolarHBondContact O-N 2.94Å; S461-C465 PolarHBondContact O-SG 2.65Å |
| 462 | P | 43.2 | Very low | 43.7 | Very low | 77 Ų | 77 | 98.8 Ų | 98.8 | 50% | 0.5 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -72.1 | -31.3 | -176.6 | -15.6 | 28.6 | 0 | 0 | 0 | 112.9 | T458 M466 | T458-P462 WeakPolarHBondContact O-CD 3.35Å; T458-P462 WeakPolarHBondContact O-CG 3.4Å; P462-M466 WeakPolarHBondContact O-CB 3.14Å; P462-M466 PolarHBondContact O-N 3.11Å |
| 463 | C | 33.7 | Very low | 42.5 | Very low | 89 Ų | 89 | 97.2 Ų | 97.2 | 60% | 0.601 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -77.8 | -39.9 | -178.9 | -146.2 | 0 | 0 | 0 | 0 | 111.6 | S461 E467 | S461-C463 PolarHBondContact O-N 2.08Å; C463-E467 PolarHBondContact O-N 2.83Å |
| 464 | V | 36.3 | Very low | 41.3 | Very low | 85 Ų | 85 | 91.4 Ų | 91.4 | 52% | 0.515 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -76 | -36.2 | 177 | 178.2 | 0 | 0 | 0 | 0 | 111.6 | N460 S468 | N460-V464 WeakPolarHBondContact O-CB 3.45Å; N460-V464 VanDerWaalsContact O-CG2 3.27Å; N460-V464 WeakPolarHBondContact O-CG2 2.99Å; N460-V464 PolarHBondContact O-N 2.71Å; V464-S468 WeakPolarHBondContact O-CB 3.47Å; V464-S468 PolarHBondContact O-N 3.18Å; V464-S468 PolarHBondContact O-OG 3.45Å |
| 465 | C | 36.6 | Very low | 40.6 | Very low | 78 Ų | 78 | 91.4 Ų | 91.4 | 53% | 0.527 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71.3 | -32.9 | 173.9 | -69.4 | 0 | 0 | 0 | 0 | 112.4 | S461 S469 | S461-C465 WeakPolarHBondContact O-CB 3.23Å; S461-C465 PolarHBondContact O-N 2.94Å; S461-C465 PolarHBondContact O-SG 2.65Å; C465-S469 WeakPolarHBondContact O-CA 3.42Å; C465-S469 WeakPolarHBondContact O-CB 3.45Å; C465-S469 PolarHBondContact O-N 3.36Å |
| 466 | M | 34.4 | Very low | 40 | Very low | 129 Ų | 129 | 94.2 Ų | 94.2 | 64% | 0.635 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -73.6 | -37.6 | 178.1 | -157.9 | 172.5 | 111.2 | 0 | 0 | 111.7 | P462 L470 | P462-M466 WeakPolarHBondContact O-CB 3.14Å; P462-M466 PolarHBondContact O-N 3.11Å; M466-L470 VanDerWaalsContact O-CB 3.24Å; M466-L470 WeakPolarHBondContact O-CB 3.22Å; M466-L470 PolarHBondContact O-N 2.83Å |
| 467 | E | 36.2 | Very low | 39.4 | Very low | 127 Ų | 127 | 90.8 Ų | 90.8 | 59% | 0.593 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -71.5 | -40.5 | 174.7 | -163.8 | 169.4 | -167.2 | 0 | 0 | 112.2 | C463 Q471 | C463-E467 PolarHBondContact O-N 2.83Å; E467-Q471 WeakPolarHBondContact O-CB 3.17Å; E467-Q471 WeakPolarHBondContact O-CG 3.48Å; E467-Q471 PolarHBondContact O-N 2.98Å |
| 468 | S | 34.8 | Very low | 39 | Very low | 66 Ų | 66 | 92 Ų | 92 | 46% | 0.462 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -71.2 | -37.1 | 176.2 | -53.9 | 0 | 0 | 0 | 0 | 112.7 | V464 L472 | V464-S468 WeakPolarHBondContact O-CB 3.47Å; V464-S468 PolarHBondContact O-N 3.18Å; V464-S468 PolarHBondContact O-OG 3.45Å; S468-L472 WeakPolarHBondContact O-CB 3.46Å; S468-L472 PolarHBondContact O-N 3.17Å |
| 469 | S | 36.3 | Very low | 38.5 | Very low | 56 Ų | 56 | 92.4 Ų | 92.4 | 39% | 0.392 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.5 | -34.7 | 175.8 | -160.5 | 0 | 0 | 0 | 0 | 111.3 | C465 E473 | C465-S469 WeakPolarHBondContact O-CA 3.42Å; C465-S469 WeakPolarHBondContact O-CB 3.45Å; C465-S469 PolarHBondContact O-N 3.36Å; S469-E473 VanDerWaalsContact O-CB 3.23Å; S469-E473 WeakPolarHBondContact O-CB 3.47Å; S469-E473 VanDerWaalsContact O-CG 3.25Å; S469-E473 WeakPolarHBondContact O-CG 3.48Å; S469-E473 PolarHBondContact O-N 3.07Å |
| 470 | L | 37 | Very low | 38 | Very low | 90 Ų | 90 | 89.6 Ų | 89.6 | 47% | 0.471 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.7 | -42.4 | 174 | -152 | 91.5 | 0 | 0 | 0 | 111.5 | M466 I474 | M466-L470 VanDerWaalsContact O-CB 3.24Å; M466-L470 WeakPolarHBondContact O-CB 3.22Å; M466-L470 PolarHBondContact O-N 2.83Å; L470-I474 HydrophobicContact CD2-CD1 4.21Å; L470-I474 HydrophobicContact CG-CD1 4.21Å; L470-I474 VanDerWaalsContact O-CB 3.32Å; L470-I474 WeakPolarHBondContact O-CB 3.39Å; L470-I474 VanDerWaalsContact O-CD1 3.3Å; L470-I474 WeakPolarHBondContact O-CD1 3.46Å; L470-I474 WeakPolarHBondContact O-CG1 3.5Å; L470-I474 PolarHBondContact O-N 3.31Å |
| 471 | Q | 38.5 | Very low | 37.6 | Very low | 125 Ų | 125 | 87.4 Ų | 87.4 | 58% | 0.584 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.4 | -38.9 | 175.7 | -75.2 | -169.3 | -6.5 | 0 | 0 | 112.4 | E467 I474 V475 | E467-Q471 WeakPolarHBondContact O-CB 3.17Å; E467-Q471 WeakPolarHBondContact O-CG 3.48Å; E467-Q471 PolarHBondContact O-N 2.98Å; Q471-I474 PolarHBondContact O-N 2.95Å; Q471-V475 WeakPolarHBondContact O-CB 3.34Å; Q471-V475 WeakPolarHBondContact O-CG2 3.43Å; Q471-V475 PolarHBondContact O-N 2.91Å |
| 472 | L | 39.3 | Very low | 37.1 | Very low | 100 Ų | 100 | 93.1 Ų | 93.1 | 52% | 0.524 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.7 | -40.7 | 176.2 | -170 | 68.6 | 0 | 0 | 0 | 111.8 | S468 V475 Q476 | S468-L472 WeakPolarHBondContact O-CB 3.46Å; S468-L472 PolarHBondContact O-N 3.17Å; L472-V475 PolarHBondContact O-N 3.28Å; L472-Q476 VanDerWaalsContact O-CB 3.23Å; L472-Q476 WeakPolarHBondContact O-CB 3.25Å; L472-Q476 VanDerWaalsContact O-CG 3.28Å; L472-Q476 WeakPolarHBondContact O-CG 3.37Å; L472-Q476 PolarHBondContact O-N 2.96Å |
| 473 | E | 39.3 | Very low | 36.6 | Very low | 106 Ų | 106 | 95.5 Ų | 95.5 | 50% | 0.495 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.7 | -37.3 | 173.5 | -80.2 | 176.5 | -170.2 | 0 | 0 | 112 | S469 M477 | S469-E473 VanDerWaalsContact O-CB 3.23Å; S469-E473 WeakPolarHBondContact O-CB 3.47Å; S469-E473 VanDerWaalsContact O-CG 3.25Å; S469-E473 WeakPolarHBondContact O-CG 3.48Å; S469-E473 PolarHBondContact O-N 3.07Å; E473-M477 WeakPolarHBondContact O-CB 3.44Å; E473-M477 WeakPolarHBondContact O-CG 3.32Å; E473-M477 PolarHBondContact O-N 3.22Å |
| 474 | I | 38.8 | Very low | 36.5 | Very low | 61 Ų | 61 | 95.5 Ų | 95.5 | 31% | 0.313 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.1 | -43.9 | 175.4 | -72.7 | 164.6 | 0 | 0 | 0 | 110.7 | L470 Q471 L478 | L470-I474 HydrophobicContact CD2-CD1 4.21Å; L470-I474 HydrophobicContact CG-CD1 4.21Å; L470-I474 VanDerWaalsContact O-CB 3.32Å; L470-I474 WeakPolarHBondContact O-CB 3.39Å; L470-I474 VanDerWaalsContact O-CD1 3.3Å; L470-I474 WeakPolarHBondContact O-CD1 3.46Å; L470-I474 WeakPolarHBondContact O-CG1 3.5Å; L470-I474 PolarHBondContact O-N 3.31Å; Q471-I474 PolarHBondContact O-N 2.95Å; I474-L478 HydrophobicContact CG2-CD1 3.78Å; I474-L478 VanDerWaalsContact O-CB 3.28Å; I474-L478 WeakPolarHBondContact O-CB 3.15Å; I474-L478 WeakPolarHBondContact O-CD1 3.42Å; I474-L478 WeakPolarHBondContact O-CG 3.28Å; I474-L478 PolarHBondContact O-N 2.96Å |
| 475 | V | 42 | Very low | 36.3 | Very low | 82 Ų | 82 | 92 Ų | 92 | 50% | 0.497 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -69.8 | -39.9 | 178.5 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | Q471 L472 L478 T479 | Q471-V475 WeakPolarHBondContact O-CB 3.34Å; Q471-V475 WeakPolarHBondContact O-CG2 3.43Å; Q471-V475 PolarHBondContact O-N 2.91Å; L472-V475 PolarHBondContact O-N 3.28Å; V475-L478 PolarHBondContact O-N 3.1Å; V475-T479 WeakPolarHBondContact O-CB 3.36Å; V475-T479 PolarHBondContact O-N 3.39Å; V475-T479 PolarHBondContact O-OG1 3.43Å |
| 476 | Q | 39.5 | Very low | 35.9 | Very low | 116 Ų | 116 | 91.5 Ų | 91.5 | 54% | 0.542 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68 | -40.7 | 174.6 | -77 | 177.7 | -25.6 | 0 | 0 | 112.1 | L472 T479 E480 | L472-Q476 VanDerWaalsContact O-CB 3.23Å; L472-Q476 WeakPolarHBondContact O-CB 3.25Å; L472-Q476 VanDerWaalsContact O-CG 3.28Å; L472-Q476 WeakPolarHBondContact O-CG 3.37Å; L472-Q476 PolarHBondContact O-N 2.96Å; Q476-T479 PolarHBondContact O-N 2.78Å; Q476-E480 VanDerWaalsContact O-CB 3.28Å; Q476-E480 WeakPolarHBondContact O-CB 3.46Å; Q476-E480 PolarHBondContact O-N 2.84Å |
| 477 | M | 36.1 | Very low | 35.6 | Very low | 86 Ų | 86 | 88.2 Ų | 88.2 | 42% | 0.424 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 171.6 | -84.5 | -166.4 | -60.2 | 0 | 0 | 111.6 | E473 E480 L481 | E473-M477 WeakPolarHBondContact O-CB 3.44Å; E473-M477 WeakPolarHBondContact O-CG 3.32Å; E473-M477 PolarHBondContact O-N 3.22Å; M477-E480 PolarHBondContact O-N 2.61Å; M477-L481 VanDerWaalsContact O-CB 3.29Å; M477-L481 WeakPolarHBondContact O-CB 3.35Å; M477-L481 PolarHBondContact O-N 3.37Å |
| 478 | L | 37.1 | Very low | 35.4 | Very low | 93 Ų | 93 | 85 Ų | 85 | 49% | 0.487 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 176.3 | -87 | 157.7 | 0 | 0 | 0 | 111.7 | I474 V475 Y482 | I474-L478 HydrophobicContact CG2-CD1 3.78Å; I474-L478 VanDerWaalsContact O-CB 3.28Å; I474-L478 WeakPolarHBondContact O-CB 3.15Å; I474-L478 WeakPolarHBondContact O-CD1 3.42Å; I474-L478 WeakPolarHBondContact O-CG 3.28Å; I474-L478 PolarHBondContact O-N 2.96Å; V475-L478 PolarHBondContact O-N 3.1Å; L478-Y482 WeakPolarHBondContact O-CB 3.33Å; L478-Y482 PolarHBondContact O-N 3.22Å |
| 479 | T | 34 | Very low | 35.2 | Very low | 87 Ų | 87 | 85 Ų | 85 | 53% | 0.534 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -68.9 | -38.7 | 178.9 | -51 | 0 | 0 | 0 | 0 | 111 | V475 Q476 R483 | V475-T479 WeakPolarHBondContact O-CB 3.36Å; V475-T479 PolarHBondContact O-N 3.39Å; V475-T479 PolarHBondContact O-OG1 3.43Å; Q476-T479 PolarHBondContact O-N 2.78Å; T479-R483 WeakPolarHBondContact O-CB 3.44Å; T479-R483 PolarHBondContact O-N 3.15Å |
| 480 | E | 37.3 | Very low | 34.9 | Very low | 54 Ų | 54 | 88.1 Ų | 88.1 | 25% | 0.252 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -75.1 | -35.7 | 177 | -169 | 61.1 | -163.3 | 0 | 0 | 112.2 | Q476 M477 R483 Q484 | Q476-E480 VanDerWaalsContact O-CB 3.28Å; Q476-E480 WeakPolarHBondContact O-CB 3.46Å; Q476-E480 PolarHBondContact O-N 2.84Å; M477-E480 PolarHBondContact O-N 2.61Å; E480-R483 PolarHBondContact O-N 2.73Å; E480-R483 IonicContact OE1-CZ 2.86Å; E480-R483 IonicContact OE1-NE 3.31Å; E480-R483 IonicContact OE1-NH2 3.92Å; E480-R483 PolarHBondContact OE1-NH2 3Å; E480-R483 IonicContact OE2-CZ 3.79Å; E480-R483 IonicContact OE2-NE 3.79Å; E480-R483 PolarHBondContact OE2-NE 3.34Å; E480-R483 IonicContact OE2-NH2 2.83Å; E480-R483 PolarHBondContact OE2-NH2 3.2Å; E480-Q484 HydrophobicContact CG-CG 4.48Å; E480-Q484 VanDerWaalsContact O-CB 3.26Å; E480-Q484 WeakPolarHBondContact O-CB 3.49Å; E480-Q484 VanDerWaalsContact O-CG 3.23Å; E480-Q484 WeakPolarHBondContact O-CG 3.21Å; E480-Q484 PolarHBondContact O-N 2.91Å; E480-Q484 PolarHBondContact OE1-NE2 3.37Å |
| 481 | L | 34.9 | Very low | 34.6 | Very low | 62 Ų | 62 | 91.1 Ų | 91.1 | 33% | 0.325 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 170.7 | -121.6 | 107.5 | 0 | 0 | 0 | 111.2 | M477 R483 Q484 A485 | M477-L481 VanDerWaalsContact O-CB 3.29Å; M477-L481 WeakPolarHBondContact O-CB 3.35Å; M477-L481 PolarHBondContact O-N 3.37Å; L481-R483 VanDerWaalsContact C-N 3.34Å; L481-Q484 PolarHBondContact O-N 2.89Å; L481-A485 WeakPolarHBondContact O-CB 3.15Å; L481-A485 PolarHBondContact O-N 2.84Å |
| 482 | Y | 34.4 | Very low | 34.1 | Very low | 186 Ų | 186 | 88.3 Ų | 88.3 | 73% | 0.729 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -67.3 | -38.4 | 178.7 | -152.3 | -91.2 | 0 | 0 | 0 | 110.9 | L478 S486 | L478-Y482 WeakPolarHBondContact O-CB 3.33Å; L478-Y482 PolarHBondContact O-N 3.22Å; Y482-S486 WeakPolarHBondContact O-CB 3.2Å; Y482-S486 PolarHBondContact O-N 2.94Å |
| 483 | R | 32.8 | Very low | 33.5 | Very low | 128 Ų | 128 | 86.2 Ų | 86.2 | 48% | 0.483 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69.6 | -39.7 | 176.1 | -164.7 | -177.6 | 77.8 | 78.5 | 5.2 | 112.6 | T479 E480 L481 A487 | T479-R483 WeakPolarHBondContact O-CB 3.44Å; T479-R483 PolarHBondContact O-N 3.15Å; E480-R483 PolarHBondContact O-N 2.73Å; E480-R483 IonicContact OE1-CZ 2.86Å; E480-R483 IonicContact OE1-NE 3.31Å; E480-R483 IonicContact OE1-NH2 3.92Å; E480-R483 PolarHBondContact OE1-NH2 3Å; E480-R483 IonicContact OE2-CZ 3.79Å; E480-R483 IonicContact OE2-NE 3.79Å; E480-R483 PolarHBondContact OE2-NE 3.34Å; E480-R483 IonicContact OE2-NH2 2.83Å; E480-R483 PolarHBondContact OE2-NH2 3.2Å; L481-R483 VanDerWaalsContact C-N 3.34Å; R483-A487 VanDerWaalsContact O-CB 3.27Å; R483-A487 WeakPolarHBondContact O-CB 3.42Å; R483-A487 PolarHBondContact O-N 2.94Å; R483-A487 VanDerWaalsContact O-N 3.08Å |
| 484 | Q | 31.6 | Very low | 32.9 | Very low | 89 Ų | 89 | 89.2 Ų | 89.2 | 42% | 0.416 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -75.5 | -38.1 | 176.8 | -72.7 | 178.6 | 7.1 | 0 | 0 | 112.1 | E480 L481 A487 L488 | E480-Q484 HydrophobicContact CG-CG 4.48Å; E480-Q484 VanDerWaalsContact O-CB 3.26Å; E480-Q484 WeakPolarHBondContact O-CB 3.49Å; E480-Q484 VanDerWaalsContact O-CG 3.23Å; E480-Q484 WeakPolarHBondContact O-CG 3.21Å; E480-Q484 PolarHBondContact O-N 2.91Å; E480-Q484 PolarHBondContact OE1-NE2 3.37Å; L481-Q484 PolarHBondContact O-N 2.89Å; Q484-A487 PolarHBondContact O-N 2.66Å; Q484-L488 WeakPolarHBondContact O-CB 3.18Å; Q484-L488 PolarHBondContact O-N 3.18Å; Q484-L488 VanDerWaalsContact O-N 3.07Å |
| 485 | A | 31.2 | Very low | 32.2 | Very low | 11 Ų | 11 | 89.3 Ų | 89.3 | 9% | 0.091 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -63.9 | -46.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L481 A487 L488 V489 L667 | L481-A485 WeakPolarHBondContact O-CB 3.15Å; L481-A485 PolarHBondContact O-N 2.84Å; A485-A487 VanDerWaalsContact C-N 3.35Å; A485-A487 PolarHBondContact O-N 3.33Å; A485-L488 PolarHBondContact O-N 2.93Å; A485-V489 WeakPolarHBondContact O-CB 3.43Å; A485-V489 WeakPolarHBondContact O-CG2 3.28Å; A485-V489 PolarHBondContact O-N 2.9Å; A485-V489 VanDerWaalsContact O-N 3.09Å; A485-L667 HydrophobicContact CB-CD1 4.5Å; A485-L667 HydrophobicContact CB-CD2 3.87Å |
| 486 | S | 29 | Very low | 31.3 | Very low | 68 Ų | 68 | 90.2 Ų | 90.2 | 48% | 0.476 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.6 | -38.7 | 176.7 | -177.8 | 0 | 0 | 0 | 0 | 112.5 | Y482 | Y482-S486 WeakPolarHBondContact O-CB 3.2Å; Y482-S486 PolarHBondContact O-N 2.94Å |
| 487 | A | 27.9 | Very low | 30.7 | Very low | 59 Ų | 59 | 88.1 Ų | 88.1 | 49% | 0.488 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -75.6 | -24.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | R483 Q484 A485 | R483-A487 VanDerWaalsContact O-CB 3.27Å; R483-A487 WeakPolarHBondContact O-CB 3.42Å; R483-A487 PolarHBondContact O-N 2.94Å; R483-A487 VanDerWaalsContact O-N 3.08Å; Q484-A487 PolarHBondContact O-N 2.66Å; A485-A487 VanDerWaalsContact C-N 3.35Å; A485-A487 PolarHBondContact O-N 3.33Å |
| 488 | L | 31.1 | Very low | 30.3 | Very low | 61 Ų | 61 | 90 Ų | 90 | 32% | 0.319 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -84 | -32.2 | 177.2 | -137.6 | 83.1 | 0 | 0 | 0 | 112.1 | Q484 A485 D490 K491 V492 | Q484-L488 WeakPolarHBondContact O-CB 3.18Å; Q484-L488 PolarHBondContact O-N 3.18Å; Q484-L488 VanDerWaalsContact O-N 3.07Å; A485-L488 PolarHBondContact O-N 2.93Å; L488-D490 VanDerWaalsContact C-N 3.26Å; L488-D490 PolarHBondContact O-N 3.22Å; L488-K491 PolarHBondContact O-N 3.39Å; L488-V492 WeakPolarHBondContact O-CG2 3.46Å |
| 489 | V | 31.3 | Very low | 30.1 | Very low | 66 Ų | 66 | 86.6 Ų | 86.6 | 40% | 0.4 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.7 | -27.2 | 179.9 | 170 | 0 | 0 | 0 | 0 | 112.3 | A485 K491 M663 | A485-V489 WeakPolarHBondContact O-CB 3.43Å; A485-V489 WeakPolarHBondContact O-CG2 3.28Å; A485-V489 PolarHBondContact O-N 2.9Å; A485-V489 VanDerWaalsContact O-N 3.09Å; V489-K491 VanDerWaalsContact C-N 3.32Å; V489-K491 PolarHBondContact O-N 3.36Å; V489-M663 HydrophobicContact CB-CE 4.45Å; V489-M663 HydrophobicContact CG1-CE 3.89Å; V489-M663 HydrophobicContact CG2-CE 3.61Å; V489-M663 HydrophobicContact CG2-CG 4.23Å; V489-M663 HydrophobicContact CG2-SD 3.93Å |
| 490 | D | 29.3 | Very low | 30 | Very low | 121 Ų | 121 | 84.2 Ų | 84.2 | 65% | 0.647 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -7.8 | 179.2 | -77.8 | -22.6 | 0 | 0 | 0 | 114.8 | L488 | L488-D490 VanDerWaalsContact C-N 3.26Å; L488-D490 PolarHBondContact O-N 3.22Å |
| 491 | K | 30.7 | Very low | 29.9 | Very low | 153 Ų | 153 | 86.7 Ų | 86.7 | 67% | 0.665 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.2 | -5.8 | -169.9 | -70.3 | -175.8 | 178.7 | -176.9 | 0 | 117.1 | L488 V489 S493 | L488-K491 PolarHBondContact O-N 3.39Å; V489-K491 VanDerWaalsContact C-N 3.32Å; V489-K491 PolarHBondContact O-N 3.36Å; K491-S493 VanDerWaalsContact C-N 3.35Å; K491-S493 PolarHBondContact O-N 3.12Å |
| 492 | V | 29 | Very low | 29.9 | Very low | 65 Ų | 65 | 86 Ų | 86 | 39% | 0.394 | 44% | 0.442 | S | S | . | . | trans | -92.2 | 58.7 | -178.3 | -173.5 | 0 | 0 | 0 | 0 | 111.7 | L488 I495 | L488-V492 WeakPolarHBondContact O-CG2 3.46Å; V492-I495 HydrophobicContact CG1-CD1 3.72Å; V492-I495 HydrophobicContact CG1-CG1 3.99Å | ||
| 493 | S | 25.1 | Very low | 30 | Very low | 56 Ų | 56 | 79 Ų | 79 | 39% | 0.392 | 42% | 0.416 | S | S | . | . | trans | -95.4 | 9 | -177.8 | -66.4 | 0 | 0 | 0 | 0 | 115.2 | K491 | K491-S493 VanDerWaalsContact C-N 3.35Å; K491-S493 PolarHBondContact O-N 3.12Å | ||
| 494 | L | 27.2 | Very low | 30.2 | Very low | 170 Ų | 170 | 76.8 Ų | 76.8 | 89% | 0.89 | 41% | 0.409 | S | S | * | . | trans | -141.1 | 97.8 | 172.3 | -90.7 | 104.6 | 0 | 0 | 0 | 111.1 | ||||
| 495 | I | 25.5 | Very low | 30.4 | Very low | 62 Ų | 62 | 78 Ų | 78 | 32% | 0.318 | 42% | 0.415 | S | S | . | . | trans | -116.5 | 118.6 | 163.2 | -61 | 176.7 | 0 | 0 | 0 | 107.4 | V492 F497 F902 | V492-I495 HydrophobicContact CG1-CD1 3.72Å; V492-I495 HydrophobicContact CG1-CG1 3.99Å; I495-F497 HydrophobicContact CG2-CE2 4.38Å; I495-F902 HydrophobicContact CG2-CD1 4.42Å | ||
| 496 | S | 23 | Very low | 30.3 | Very low | 101 Ų | 101 | 87 Ų | 87 | 71% | 0.706 | 46% | 0.455 | S | S | * | . | trans | -75.9 | 122 | 175.6 | -176.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 497 | F | 25.7 | Very low | 30.2 | Very low | 73 Ų | 73 | 85.8 Ų | 85.8 | 32% | 0.32 | 45% | 0.447 | S | S | . | . | trans | -102.1 | 119.2 | 175.1 | -78.6 | -87.7 | 0 | 0 | 0 | 110.3 | I495 V901 F902 | I495-F497 HydrophobicContact CG2-CE2 4.38Å; F497-V901 HydrophobicContact CE1-CG1 3.84Å; F497-F902 HydrophobicContact CE1-CD1 4.28Å; F497-F902 AromaticContact CE1-CE1 3.98Å; F497-F902 HydrophobicContact CE1-CE1 3.98Å; F497-F902 HydrophobicContact CZ-CD1 4.32Å; F497-F902 AromaticContact CZ-CE1 3.8Å; F497-F902 HydrophobicContact CZ-CE1 3.8Å | ||
| 498 | Q | 28.9 | Very low | 30.1 | Very low | 125 Ų | 125 | 90.6 Ų | 90.6 | 58% | 0.584 | 46% | 0.464 | S | S | * | . | trans | -113.9 | 117 | 172.8 | -74.5 | -171.7 | -26.1 | 0 | 0 | 111.3 | Q500 | Q498-Q500 PolarHBondContact O-N 3.07Š| ||
| 499 | F | 31.7 | Very low | 30.1 | Very low | 21 Ų | 21 | 91.6 Ų | 91.6 | 9% | 0.092 | 48% | 0.476 | C | S | . | . | G | 310 helix | trans | -67.2 | -20 | -175.8 | -174 | -107.3 | 0 | 0 | 0 | 113.5 | H501 F503 F616 H620 H983 F987 | F499-H501 PolarHBondContact O-N 3.4Å; F499-F503 HydrophobicContact CE1-CE2 4.17Å; F499-F503 HydrophobicContact CZ-CE2 4.32Å; F499-F503 HydrophobicContact CZ-CZ 4.36Å; F499-F616 HydrophobicContact CE1-CZ 4.48Å; F499-F616 HydrophobicContact CZ-CE2 4.42Å; F499-F616 HydrophobicContact CZ-CZ 4.32Å; F499-H620 AromaticContact CD2-ND1 3.98Å; F499-H620 HydrophobicContact CE2-CB 4.31Å; F499-H620 AromaticContact CE2-ND1 3.24Å; F499-H620 WeakPolarHBondContact CE2-ND1 3.18Å; F499-H620 AromaticContact CZ-ND1 3.46Å; F499-H620 WeakPolarHBondContact CZ-ND1 3.46Å; F499-H983 AromaticContact CD1-ND1 3.78Å; F499-H983 AromaticContact CE1-ND1 3.84Å; F499-F987 HydrophobicContact CD1-CE2 4.45Å; F499-F987 AromaticContact CD1-CZ 3.95Å; F499-F987 HydrophobicContact CD1-CZ 3.95Å; F499-F987 HydrophobicContact CE1-CE2 4.19Å; F499-F987 AromaticContact CE1-CZ 3.89Å; F499-F987 HydrophobicContact CE1-CZ 3.89Å |
| 500 | Q | 31.8 | Very low | 29.9 | Very low | 37 Ų | 37 | 90.1 Ų | 90.1 | 17% | 0.173 | 47% | 0.47 | C | S | . | . | G | 310 helix | trans | -65.8 | -38.6 | -169.8 | -62.4 | 171.7 | -22.8 | 0 | 0 | 111.8 | Q498 F502 F511 | Q498-Q500 PolarHBondContact O-N 3.07Å; Q500-F502 VanDerWaalsContact C-N 3.29Å; Q500-F502 PolarHBondContact O-N 2.73Å; Q500-F502 VanDerWaalsContact O-N 3.07Å; Q500-F511 VanDerWaalsContact C-CE2 3.41Å; Q500-F511 VanDerWaalsContact C-CZ 3.43Å; Q500-F511 HydrophobicContact CB-CE2 4.15Å; Q500-F511 HydrophobicContact CB-CZ 3.66Å; Q500-F511 WeakPolarHBondContact O-CE2 3.24Å; Q500-F511 WeakPolarHBondContact O-CZ 3.46Å |
| 501 | H | 35.1 | Very low | 30 | Very low | 107 Ų | 107 | 85.7 Ų | 85.7 | 50% | 0.495 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -73.3 | 1 | -170.1 | -68.7 | -75.4 | 0 | 0 | 0 | 117.4 | F499 F511 | F499-H501 PolarHBondContact O-N 3.4Å; H501-F511 HydrophobicContact CB-CZ 4.46Å; H501-F511 AromaticContact CE1-CE1 3.28Å; H501-F511 WeakPolarHBondContact CE1-CE1 3.46Å; H501-F511 AromaticContact CE1-CZ 3.87Å; H501-F511 AromaticContact CG-CZ 3.92Å; H501-F511 AromaticContact ND1-CD1 3.97Å; H501-F511 AromaticContact ND1-CE1 3.21Å; H501-F511 WeakPolarHBondContact ND1-CE1 3.41Å; H501-F511 AromaticContact ND1-CZ 3.54Å |
| 502 | F | 34.6 | Very low | 30.2 | Very low | 46 Ų | 46 | 83 Ų | 83 | 20% | 0.202 | 44% | 0.442 | C | S | . | . | G | 310 helix | trans | -81.4 | -21.1 | -165.7 | -164.2 | -103.5 | 0 | 0 | 0 | 115.6 | Q500 F890 I894 F900 | Q500-F502 VanDerWaalsContact C-N 3.29Å; Q500-F502 PolarHBondContact O-N 2.73Å; Q500-F502 VanDerWaalsContact O-N 3.07Å; F502-F890 HydrophobicContact CE1-CE2 4.42Å; F502-F890 AromaticContact CZ-CE2 3.92Å; F502-F890 HydrophobicContact CZ-CE2 3.92Å; F502-I894 HydrophobicContact CE2-CD1 3.49Å; F502-I894 VanDerWaalsContact CE2-CD1 3.49Å; F502-I894 HydrophobicContact CZ-CD1 3.71Å; F502-F900 HydrophobicContact CD2-CB 4.31Å; F502-F900 HydrophobicContact CE2-CB 4.43Å |
| 503 | F | 38 | Very low | 30.5 | Very low | 41 Ų | 41 | 84.5 Ų | 84.5 | 18% | 0.18 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -96.4 | -23.6 | -158.8 | -71.8 | -78.5 | 0 | 0 | 0 | 117 | F499 F616 F987 | F499-F503 HydrophobicContact CE1-CE2 4.17Å; F499-F503 HydrophobicContact CZ-CE2 4.32Å; F499-F503 HydrophobicContact CZ-CZ 4.36Å; F503-F616 HydrophobicContact CE1-CB 4.39Å; F503-F616 AromaticContact CE1-CD2 3.57Å; F503-F616 HydrophobicContact CE1-CD2 3.57Å; F503-F616 HydrophobicContact CE1-CE2 4.32Å; F503-F616 HydrophobicContact CE1-CG 4.41Å; F503-F616 HydrophobicContact CE2-CD2 4.41Å; F503-F616 HydrophobicContact CE2-CE2 4.45Å; F503-F616 AromaticContact CZ-CD2 3.29Å; F503-F616 HydrophobicContact CZ-CD2 3.29Å; F503-F616 AromaticContact CZ-CE2 3.7Å; F503-F616 HydrophobicContact CZ-CE2 3.7Å; F503-F616 HydrophobicContact CZ-CG 4.21Å; F503-F987 HydrophobicContact CE2-CZ 4.24Å |
| 504 | F | 35.9 | Very low | 30.9 | Very low | 80 Ų | 80 | 82.7 Ų | 82.7 | 35% | 0.351 | 43% | 0.43 | S | S | . | . | trans | -117.1 | 97.6 | -169.9 | -68 | -81.1 | 0 | 0 | 0 | 112.5 | F511 I514 | F504-F511 HydrophobicContact CD2-CD2 4.31Å; F504-I514 HydrophobicContact CE2-CD1 4.12Å; F504-I514 HydrophobicContact CZ-CD1 3.94Å | ||
| 505 | Q | 36.2 | Very low | 31 | Very low | 116 Ų | 116 | 75.8 Ų | 75.8 | 54% | 0.542 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -80.5 | -8.6 | -177.5 | -88.1 | -169.2 | -36.4 | 0 | 0 | 115.7 | N893 F900 | Q505-N893 PolarHBondContact NE2-ND2 3.44Å; Q505-N893 PolarHBondContact NE2-OD1 3.37Å; Q505-F900 HydrophobicContact CG-CE2 4.25Å; Q505-F900 HydrophobicContact CG-CZ 3.87Å; Q505-F900 VanDerWaalsContact NE2-CZ 3.26Å |
| 506 | Q | 28.3 | Very low | 31.6 | Very low | 198 Ų | 198 | 76.7 Ų | 76.7 | 93% | 0.925 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -131.4 | -0.4 | -174.1 | -83.1 | -172.5 | -6.1 | 0 | 0 | 116.5 | ||
| 507 | S | 27.3 | Very low | 31.9 | Very low | 43 Ų | 43 | 78.2 Ų | 78.2 | 30% | 0.301 | 40% | 0.401 | S | S | . | . | trans | -150.1 | 93.9 | 177.2 | 61.2 | 0 | 0 | 0 | 0 | 111.7 | S509 A510 | S507-S509 PolarHBondContact O-N 3.33Å; S507-S509 VanDerWaalsContact O-N 3.16Å; S507-A510 PolarHBondContact O-N 3.4Å; S507-A510 WeakPolarHBondContact OG-CB 3.37Å | ||
| 508 | L | 27.2 | Very low | 31.9 | Very low | 160 Ų | 160 | 86 Ų | 86 | 84% | 0.838 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -56.9 | -24.5 | 169.2 | -112.1 | 83.6 | 0 | 0 | 0 | 112 | F511 | L508-F511 WeakPolarHBondContact O-CB 3.18Å |
| 509 | S | 29.3 | Very low | 31.7 | Very low | 83 Ų | 83 | 86.8 Ų | 86.8 | 58% | 0.58 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -77.1 | -24.5 | -178.2 | 53.3 | 0 | 0 | 0 | 0 | 115.2 | S507 F511 T512 | S507-S509 PolarHBondContact O-N 3.33Å; S507-S509 VanDerWaalsContact O-N 3.16Å; S509-F511 VanDerWaalsContact C-N 3.32Å; S509-T512 PolarHBondContact O-OG1 2.74Å |
| 510 | A | 29 | Very low | 31.6 | Very low | 34 Ų | 34 | 95.1 Ų | 95.1 | 28% | 0.281 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -80.2 | -20.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S507 | S507-A510 PolarHBondContact O-N 3.4Å; S507-A510 WeakPolarHBondContact OG-CB 3.37Å |
| 511 | F | 30.5 | Very low | 31.1 | Very low | 29 Ų | 29 | 98.2 Ų | 98.2 | 13% | 0.127 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -72.4 | -42.1 | -173.3 | -178.5 | -105.7 | 0 | 0 | 0 | 113.1 | Q500 H501 F504 L508 S509 H513 I514 S515 | Q500-F511 VanDerWaalsContact C-CE2 3.41Å; Q500-F511 VanDerWaalsContact C-CZ 3.43Å; Q500-F511 HydrophobicContact CB-CE2 4.15Å; Q500-F511 HydrophobicContact CB-CZ 3.66Å; Q500-F511 WeakPolarHBondContact O-CE2 3.24Å; Q500-F511 WeakPolarHBondContact O-CZ 3.46Å; H501-F511 HydrophobicContact CB-CZ 4.46Å; H501-F511 AromaticContact CE1-CE1 3.28Å; H501-F511 WeakPolarHBondContact CE1-CE1 3.46Å; H501-F511 AromaticContact CE1-CZ 3.87Å; H501-F511 AromaticContact CG-CZ 3.92Å; H501-F511 AromaticContact ND1-CD1 3.97Å; H501-F511 AromaticContact ND1-CE1 3.21Å; H501-F511 WeakPolarHBondContact ND1-CE1 3.41Å; H501-F511 AromaticContact ND1-CZ 3.54Å; F504-F511 HydrophobicContact CD2-CD2 4.31Å; L508-F511 WeakPolarHBondContact O-CB 3.18Å; S509-F511 VanDerWaalsContact C-N 3.32Å; F511-H513 PolarHBondContact O-N 3.14Å; F511-I514 PolarHBondContact O-N 3.36Å; F511-I514 VanDerWaalsContact O-N 3.11Å; F511-S515 PolarHBondContact O-N 3.23Å; F511-S515 PolarHBondContact O-OG 3.39Å |
| 512 | T | 35.4 | Very low | 30.8 | Very low | 95 Ų | 95 | 100.2 Ų | 100.2 | 58% | 0.583 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -21.9 | -179.3 | 47.2 | 0 | 0 | 0 | 0 | 113.8 | S509 | S509-T512 PolarHBondContact O-OG1 2.74Š|
| 513 | H | 35.7 | Very low | 30.4 | Very low | 97 Ų | 97 | 107.6 Ų | 107.6 | 45% | 0.449 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -16 | 178.1 | -74.3 | -71.8 | 0 | 0 | 0 | 114 | N133 F511 A991 | N133-H513 PolarHBondContact ND2-CD2 3.37Å; N133-H513 VanDerWaalsContact ND2-CD2 3.27Å; N133-H513 PolarHBondContact ND2-CE1 3.5Å; N133-H513 PolarHBondContact ND2-NE2 3.47Å; F511-H513 PolarHBondContact O-N 3.14Å; H513-A991 VanDerWaalsContact O-CB 3.23Å; H513-A991 WeakPolarHBondContact O-CB 3.5Å |
| 514 | I | 32.9 | Very low | 29.7 | Very low | 19 Ų | 19 | 108.9 Ų | 108.9 | 10% | 0.097 | 56% | 0.562 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -103.7 | -22.7 | -174.6 | -60.6 | 172.3 | 0 | 0 | 0 | 111.6 | F504 F511 F987 N988 A991 | F504-I514 HydrophobicContact CE2-CD1 4.12Å; F504-I514 HydrophobicContact CZ-CD1 3.94Å; F511-I514 PolarHBondContact O-N 3.36Å; F511-I514 VanDerWaalsContact O-N 3.11Å; I514-F987 HydrophobicContact CG2-CD1 4.48Å; I514-N988 WeakPolarHBondContact O-CB 3.12Å; I514-N988 PolarHBondContact O-N 3.41Å; I514-A991 HydrophobicContact CG1-CB 4.18Å |
| 515 | S | 28.5 | Very low | 29.3 | Very low | 24 Ų | 24 | 110.8 Ų | 110.8 | 17% | 0.168 | 58% | 0.582 | C | S | . | * | B | Isolated β-bridge | trans | -80.6 | 132.5 | 173.7 | 54.4 | 0 | 0 | 0 | 0 | 112 | F511 D517 | F511-S515 PolarHBondContact O-N 3.23Å; F511-S515 PolarHBondContact O-OG 3.39Å; S515-D517 PolarHBondContact O-N 3.49Å |
| 516 | I | 38 | Very low | 28.9 | Very low | 82 Ų | 82 | 110 Ų | 110 | 42% | 0.421 | 59% | 0.59 | S | S | . | * | trans | -89 | 100.7 | 169.1 | -58.8 | 175.3 | 0 | 0 | 0 | 107.6 | R518 N988 | I516-R518 PolarHBondContact O-N 2.79Å; I516-N988 HydrophobicContact CG1-CB 4.23Å | ||
| 517 | D | 29.2 | Very low | 29 | Very low | 132 Ų | 132 | 103.6 Ų | 103.6 | 71% | 0.706 | 56% | 0.564 | S | S | * | * | trans | -73.3 | 116.9 | 163.3 | -95.8 | -28.1 | 0 | 0 | 0 | 108.4 | S515 D519 | S515-D517 PolarHBondContact O-N 3.49Å; D517-D519 PolarHBondContact O-N 2.86Å | ||
| 518 | R | 26.8 | Very low | 29.1 | Very low | 236 Ų | 236 | 105.7 Ų | 105.7 | 89% | 0.891 | 58% | 0.579 | S | S | * | * | trans | -75.5 | 75.5 | 168.4 | -76.9 | -172.1 | -174.8 | 175.1 | 3 | 108.6 | I516 | I516-R518 PolarHBondContact O-N 2.79Š| ||
| 519 | D | 23.4 | Very low | 29.2 | Very low | 142 Ų | 142 | 105.4 Ų | 105.4 | 76% | 0.759 | 57% | 0.573 | S | S | * | * | trans | -128.1 | 126.8 | 157.6 | -96.7 | -33 | 0 | 0 | 0 | 110.6 | D517 S521 | D517-D519 PolarHBondContact O-N 2.86Å; D519-S521 PolarHBondContact O-N 3.14Å | ||
| 520 | H | 29.9 | Very low | 29.3 | Very low | 197 Ų | 197 | 106 Ų | 106 | 91% | 0.912 | 58% | 0.576 | S | S | * | * | trans | -53.4 | 119.3 | -172.9 | -77.2 | -84 | 0 | 0 | 0 | 112.4 | ||||
| 521 | S | 22.7 | Very low | 29.4 | Very low | 102 Ų | 102 | 109.3 Ų | 109.3 | 71% | 0.713 | 59% | 0.588 | S | S | * | * | trans | -142.3 | 133.2 | 151.3 | 59.5 | 0 | 0 | 0 | 0 | 111.6 | D519 | D519-S521 PolarHBondContact O-N 3.14Š| ||
| 522 | V | 27.8 | Very low | 29.5 | Very low | 148 Ų | 148 | 111.6 Ų | 111.6 | 90% | 0.897 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 121.8 | -167.8 | 173.5 | 0 | 0 | 0 | 0 | 110.2 | ||
| 523 | Y | 25.8 | Very low | 29.5 | Very low | 202 Ų | 202 | 113.4 Ų | 113.4 | 79% | 0.792 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 132.4 | 168.8 | -91.9 | -90.1 | 0 | 0 | 0 | 111 | ||
| 524 | S | 24.2 | Very low | 29.4 | Very low | 68 Ų | 68 | 111 Ų | 111 | 48% | 0.476 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -78 | 157.9 | 178.6 | 96.4 | 0 | 0 | 0 | 0 | 112.9 | S526 | S524-S526 VanDerWaalsContact C-N 3.28Å; S524-S526 PolarHBondContact O-N 3.29Å; S524-S526 VanDerWaalsContact O-N 3.14Å; S524-S526 PolarHBondContact OG-OG 3.47Å |
| 525 | P | 26.9 | Very low | 29.4 | Very low | 119 Ų | 119 | 114.2 Ų | 114.2 | 77% | 0.773 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -72.6 | -6 | -167 | -14.7 | 30.1 | 0 | 0 | 0 | 116.2 | S528 | P525-S528 PolarHBondContact O-OG 3.48Š|
| 526 | S | 27.6 | Very low | 29.6 | Very low | 100 Ų | 100 | 118.1 Ų | 118.1 | 70% | 0.699 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -83.2 | -8 | -174.4 | 55.9 | 0 | 0 | 0 | 0 | 114.8 | S524 | S524-S526 VanDerWaalsContact C-N 3.28Å; S524-S526 PolarHBondContact O-N 3.29Å; S524-S526 VanDerWaalsContact O-N 3.14Å; S524-S526 PolarHBondContact OG-OG 3.47Å |
| 527 | V | 31.7 | Very low | 29.5 | Very low | 63 Ų | 63 | 116.4 Ų | 116.4 | 38% | 0.382 | 64% | 0.637 | S | S | . | * | G | 310 helix | trans | -87.6 | -5.3 | 178.1 | -172.1 | 0 | 0 | 0 | 0 | 112.3 | H529 C530 L531 | V527-H529 VanDerWaalsContact C-N 3.28Å; V527-H529 PolarHBondContact O-N 3.34Å; V527-C530 PolarHBondContact O-N 3.32Å; V527-L531 HydrophobicContact CB-CD1 4.47Å; V527-L531 HydrophobicContact CG1-CD1 3.86Å; V527-L531 HydrophobicContact CG1-CG 4.31Å; V527-L531 PolarHBondContact O-N 3.3Å |
| 528 | S | 29.7 | Very low | 29.8 | Very low | 88 Ų | 88 | 116.2 Ų | 116.2 | 62% | 0.615 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.7 | -21.1 | -174.1 | 77.1 | 0 | 0 | 0 | 0 | 114.5 | P525 | P525-S528 PolarHBondContact O-OG 3.48Å |
| 529 | H | 28.7 | Very low | 30.1 | Very low | 154 Ų | 154 | 114.1 Ų | 114.1 | 71% | 0.713 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -83.6 | -24.5 | -178.6 | -148.7 | -58.1 | 0 | 0 | 0 | 113.7 | V527 | V527-H529 VanDerWaalsContact C-N 3.28Å; V527-H529 PolarHBondContact O-N 3.34Å |
| 530 | C | 31 | Very low | 30.6 | Very low | 95 Ų | 95 | 112.4 Ų | 112.4 | 64% | 0.642 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -85.4 | -29.1 | 172.3 | -91.6 | 0 | 0 | 0 | 0 | 112.6 | V527 S532 Q533 S534 | V527-C530 PolarHBondContact O-N 3.32Å; C530-S532 VanDerWaalsContact C-N 3.31Å; C530-S532 PolarHBondContact O-N 3.28Å; C530-Q533 PolarHBondContact O-N 2.94Å; C530-S534 PolarHBondContact O-N 3.35Å; C530-S534 PolarHBondContact O-OG 3.37Å |
| 531 | L | 31.8 | Very low | 30.8 | Very low | 103 Ų | 103 | 105.3 Ų | 105.3 | 54% | 0.539 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.2 | -27.1 | -178.9 | -85.1 | 159.3 | 0 | 0 | 0 | 113.5 | V527 S534 C535 | V527-L531 HydrophobicContact CB-CD1 4.47Å; V527-L531 HydrophobicContact CG1-CD1 3.86Å; V527-L531 HydrophobicContact CG1-CG 4.31Å; V527-L531 PolarHBondContact O-N 3.3Å; L531-S534 VanDerWaalsContact C-OG 3.32Å; L531-S534 VanDerWaalsContact CA-OG 3.25Å; L531-S534 WeakPolarHBondContact CA-OG 3.09Å; L531-S534 PolarHBondContact O-OG 3.17Å; L531-C535 PolarHBondContact O-N 3.21Å |
| 532 | S | 32.6 | Very low | 31.4 | Very low | 78 Ų | 78 | 104.5 Ų | 104.5 | 55% | 0.545 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -73.8 | -32.8 | 178.7 | 75.6 | 0 | 0 | 0 | 0 | 113.1 | C530 L536 | C530-S532 VanDerWaalsContact C-N 3.31Å; C530-S532 PolarHBondContact O-N 3.28Å; S532-L536 PolarHBondContact O-N 2.95Å |
| 533 | Q | 33.9 | Very low | 31.6 | Very low | 132 Ų | 132 | 103.9 Ų | 103.9 | 62% | 0.617 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -74.7 | -34.6 | 173.8 | -97.9 | 173.3 | -26.9 | 0 | 0 | 112.3 | C530 C535 L536 L537 | C530-Q533 PolarHBondContact O-N 2.94Å; Q533-C535 VanDerWaalsContact C-N 3.34Å; Q533-C535 PolarHBondContact O-N 2.91Å; Q533-L536 PolarHBondContact O-N 3.23Å; Q533-L537 PolarHBondContact O-N 3.25Å |
| 534 | S | 35.3 | Very low | 31.9 | Very low | 46 Ų | 46 | 95 Ų | 95 | 32% | 0.322 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.4 | -29.9 | 173 | 47.8 | 0 | 0 | 0 | 0 | 113.6 | C530 L531 W538 | C530-S534 PolarHBondContact O-N 3.35Å; C530-S534 PolarHBondContact O-OG 3.37Å; L531-S534 VanDerWaalsContact C-OG 3.32Å; L531-S534 VanDerWaalsContact CA-OG 3.25Å; L531-S534 WeakPolarHBondContact CA-OG 3.09Å; L531-S534 PolarHBondContact O-OG 3.17Å; S534-W538 WeakPolarHBondContact O-CB 2.79Å; S534-W538 VanDerWaalsContact O-CD1 3.25Å; S534-W538 PolarHBondContact O-N 3.48Å |
| 535 | C | 32 | Very low | 32.5 | Very low | 87 Ų | 87 | 94.1 Ų | 94.1 | 59% | 0.588 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68.2 | -34.6 | 172.9 | -101.7 | 0 | 0 | 0 | 0 | 112.6 | L531 Q533 W538 Y539 | L531-C535 PolarHBondContact O-N 3.21Å; Q533-C535 VanDerWaalsContact C-N 3.34Å; Q533-C535 PolarHBondContact O-N 2.91Å; C535-W538 WeakPolarHBondContact O-CB 3.45Å; C535-W538 PolarHBondContact O-N 3.46Å; C535-Y539 PolarHBondContact O-N 3.34Å |
| 536 | L | 32.9 | Very low | 32.6 | Very low | 107 Ų | 107 | 90.2 Ų | 90.2 | 56% | 0.56 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -74.3 | -36.1 | 176.3 | -155.8 | 77.6 | 0 | 0 | 0 | 111.9 | S532 Q533 K540 | S532-L536 PolarHBondContact O-N 2.95Å; Q533-L536 PolarHBondContact O-N 3.23Å; L536-K540 WeakPolarHBondContact O-CB 3.04Å; L536-K540 WeakPolarHBondContact O-CG 3.48Å; L536-K540 PolarHBondContact O-N 2.61Å; L536-K540 VanDerWaalsContact O-N 3.09Å |
| 537 | L | 35.5 | Very low | 32.7 | Very low | 45 Ų | 45 | 87 Ų | 87 | 24% | 0.236 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 167.1 | -106.9 | 82.6 | 0 | 0 | 0 | 111.6 | Q533 K540 M541 L1030 L1034 | Q533-L537 PolarHBondContact O-N 3.25Å; L537-K540 PolarHBondContact O-N 3.46Å; L537-M541 WeakPolarHBondContact O-CB 3.39Å; L537-M541 PolarHBondContact O-N 2.84Å; L537-L1030 HydrophobicContact CD1-CD1 4.49Å; L537-L1030 HydrophobicContact CD1-CD2 3.58Å; L537-L1030 HydrophobicContact CD2-CB 4.11Å; L537-L1030 HydrophobicContact CD2-CD1 4.31Å; L537-L1030 HydrophobicContact CD2-CD2 4.15Å; L537-L1030 HydrophobicContact CD2-CG 4.45Å; L537-L1030 HydrophobicContact CG-CD1 3.93Å; L537-L1030 HydrophobicContact CG-CD2 3.85Å; L537-L1030 HydrophobicContact CG-CG 4.34Å; L537-L1034 HydrophobicContact CD2-CD1 3.88Å |
| 538 | W | 36.2 | Very low | 32.7 | Very low | 129 Ų | 129 | 85.3 Ų | 85.3 | 49% | 0.489 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61 | -49.9 | 177.4 | -102.1 | 66.6 | 0 | 0 | 0 | 111.8 | S534 C535 K540 M541 I542 A990 | S534-W538 WeakPolarHBondContact O-CB 2.79Å; S534-W538 VanDerWaalsContact O-CD1 3.25Å; S534-W538 PolarHBondContact O-N 3.48Å; C535-W538 WeakPolarHBondContact O-CB 3.45Å; C535-W538 PolarHBondContact O-N 3.46Å; W538-K540 VanDerWaalsContact C-N 3.32Å; W538-K540 PolarHBondContact O-N 3.46Å; W538-M541 PolarHBondContact O-N 2.68Å; W538-I542 HydrophobicContact CE3-CD1 4.14Å; W538-I542 WeakPolarHBondContact O-CB 3.46Å; W538-I542 WeakPolarHBondContact O-CD1 3.05Å; W538-I542 WeakPolarHBondContact O-CG1 3.43Å; W538-I542 PolarHBondContact O-N 2.94Å; W538-A990 HydrophobicContact CZ2-CB 4.24Å |
| 539 | Y | 33.1 | Very low | 32.8 | Very low | 191 Ų | 191 | 81.9 Ų | 81.9 | 75% | 0.749 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.2 | -38.1 | 178.9 | -125.3 | -89.8 | 0 | 0 | 0 | 112 | C535 F543 | C535-Y539 PolarHBondContact O-N 3.34Å; Y539-F543 WeakPolarHBondContact O-CB 3.49Å; Y539-F543 PolarHBondContact O-N 2.74Å; Y539-F543 VanDerWaalsContact O-N 3.13Å |
| 540 | K | 32.9 | Very low | 32.7 | Very low | 106 Ų | 106 | 76.8 Ų | 76.8 | 46% | 0.461 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -77.1 | -38.2 | 178.1 | -72.1 | -177.5 | 176.3 | -174.6 | 0 | 113 | L536 L537 W538 I542 F543 L544 | L536-K540 WeakPolarHBondContact O-CB 3.04Å; L536-K540 WeakPolarHBondContact O-CG 3.48Å; L536-K540 PolarHBondContact O-N 2.61Å; L536-K540 VanDerWaalsContact O-N 3.09Å; L537-K540 PolarHBondContact O-N 3.46Å; W538-K540 VanDerWaalsContact C-N 3.32Å; W538-K540 PolarHBondContact O-N 3.46Å; K540-I542 VanDerWaalsContact C-N 3.29Å; K540-I542 PolarHBondContact O-N 3.5Å; K540-F543 PolarHBondContact O-N 3.2Å; K540-L544 HydrophobicContact CB-CD1 4.34Å; K540-L544 VanDerWaalsContact O-CB 3.23Å; K540-L544 WeakPolarHBondContact O-CB 3.43Å; K540-L544 WeakPolarHBondContact O-CD1 3.48Å; K540-L544 PolarHBondContact O-N 3.27Å |
| 541 | M | 35.4 | Very low | 32.8 | Very low | 48 Ų | 48 | 75 Ų | 75 | 24% | 0.236 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64 | -32.7 | 172.5 | -106.2 | -153.9 | 83.2 | 0 | 0 | 112.6 | L537 W538 L545 V1027 F1031 | L537-M541 WeakPolarHBondContact O-CB 3.39Å; L537-M541 PolarHBondContact O-N 2.84Å; W538-M541 PolarHBondContact O-N 2.68Å; M541-L545 HydrophobicContact CE-CD1 3.71Å; M541-L545 WeakPolarHBondContact O-CB 3.44Å; M541-L545 PolarHBondContact O-N 2.98Å; M541-V1027 HydrophobicContact CE-CG1 3.88Å; M541-V1027 HydrophobicContact CE-CG2 4.5Å; M541-V1027 HydrophobicContact CG-CG1 3.96Å; M541-V1027 HydrophobicContact CG-CG2 3.77Å; M541-V1027 HydrophobicContact SD-CG1 3.72Å; M541-F1031 HydrophobicContact SD-CE2 4.15Å |
| 542 | I | 35.2 | Very low | 32.7 | Very low | 86 Ų | 86 | 76.5 Ų | 76.5 | 44% | 0.441 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -69.9 | -42 | 174.1 | -70 | 165.8 | 0 | 0 | 0 | 110.6 | W538 K540 L544 G546 | W538-I542 HydrophobicContact CE3-CD1 4.14Å; W538-I542 WeakPolarHBondContact O-CB 3.46Å; W538-I542 WeakPolarHBondContact O-CD1 3.05Å; W538-I542 WeakPolarHBondContact O-CG1 3.43Å; W538-I542 PolarHBondContact O-N 2.94Å; K540-I542 VanDerWaalsContact C-N 3.29Å; K540-I542 PolarHBondContact O-N 3.5Å; I542-L544 VanDerWaalsContact C-N 3.34Å; I542-G546 PolarHBondContact O-N 3.05Å |
| 543 | F | 31.7 | Very low | 32.5 | Very low | 135 Ų | 135 | 76.4 Ų | 76.4 | 59% | 0.592 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -67.1 | -35.9 | 175.5 | -161.7 | -99.1 | 0 | 0 | 0 | 112.3 | Y539 K540 G546 L547 | Y539-F543 WeakPolarHBondContact O-CB 3.49Å; Y539-F543 PolarHBondContact O-N 2.74Å; Y539-F543 VanDerWaalsContact O-N 3.13Å; K540-F543 PolarHBondContact O-N 3.2Å; F543-G546 PolarHBondContact O-N 2.92Å; F543-L547 HydrophobicContact CD1-CD1 4.37Å; F543-L547 HydrophobicContact CE1-CD1 3.94Å; F543-L547 HydrophobicContact CZ-CD1 4.18Å; F543-L547 PolarHBondContact O-N 2.83Å |
| 544 | L | 32.4 | Very low | 32.3 | Very low | 15 Ų | 15 | 75.8 Ų | 75.8 | 8% | 0.079 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -70 | -44.4 | 176.1 | -94.1 | 81.4 | 0 | 0 | 0 | 113.4 | K540 I542 G546 L547 L548 Q1023 H1026 V1027 | K540-L544 HydrophobicContact CB-CD1 4.34Å; K540-L544 VanDerWaalsContact O-CB 3.23Å; K540-L544 WeakPolarHBondContact O-CB 3.43Å; K540-L544 WeakPolarHBondContact O-CD1 3.48Å; K540-L544 PolarHBondContact O-N 3.27Å; I542-L544 VanDerWaalsContact C-N 3.34Å; L544-G546 VanDerWaalsContact C-N 3.3Å; L544-L547 PolarHBondContact O-N 3.05Å; L544-L548 WeakPolarHBondContact O-CB 3.41Å; L544-L548 WeakPolarHBondContact O-CD1 3.32Å; L544-L548 PolarHBondContact O-N 2.89Å; L544-Q1023 VanDerWaalsContact CA-OE1 3.27Å; L544-Q1023 HydrophobicContact CB-CB 4Å; L544-Q1023 HydrophobicContact CB-CG 4.25Å; L544-Q1023 HydrophobicContact CD1-CG 4.11Å; L544-Q1023 HydrophobicContact CD2-CB 3.32Å; L544-Q1023 HydrophobicContact CD2-CG 3.78Å; L544-Q1023 WeakPolarHBondContact CD2-O 3.16Å; L544-Q1023 HydrophobicContact CG-CB 3.38Å; L544-Q1023 HydrophobicContact CG-CG 3.38Å; L544-Q1023 PolarHBondContact O-OE1 3.48Å; L544-H1026 HydrophobicContact CD2-CB 4.28Å; L544-V1027 HydrophobicContact CD2-CG2 3.5Å |
| 545 | L | 35.2 | Very low | 32.5 | Very low | 50 Ų | 50 | 76.3 Ų | 76.3 | 26% | 0.262 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.1 | -33.4 | 172.5 | -84.1 | 157.4 | 0 | 0 | 0 | 111.8 | M541 L548 C549 K578 | M541-L545 HydrophobicContact CE-CD1 3.71Å; M541-L545 WeakPolarHBondContact O-CB 3.44Å; M541-L545 PolarHBondContact O-N 2.98Å; L545-L548 PolarHBondContact O-N 2.95Å; L545-C549 PolarHBondContact O-N 2.96Å; L545-C549 VanDerWaalsContact O-N 3.12Å; L545-C549 PolarHBondContact O-SG 3.21Å; L545-C549 VanDerWaalsContact O-SG 3.37Å; L545-K578 HydrophobicContact CD1-CD 4.38Å |
| 546 | G | 29.5 | Very low | 32.5 | Very low | 36 Ų | 36 | 75.5 Ų | 75.5 | 37% | 0.371 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.8 | -40.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I542 F543 L544 C549 S550 | I542-G546 PolarHBondContact O-N 3.05Å; F543-G546 PolarHBondContact O-N 2.92Å; L544-G546 VanDerWaalsContact C-N 3.3Å; G546-C549 PolarHBondContact O-N 3.35Å; G546-S550 PolarHBondContact O-N 3.39Å |
| 547 | L | 31 | Very low | 32.8 | Very low | 32 Ų | 32 | 71.8 Ų | 71.8 | 17% | 0.168 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -78.5 | -29.2 | 173.3 | -111.8 | 91.1 | 0 | 0 | 0 | 112.6 | F543 L544 C549 S550 E1019 L1020 | F543-L547 HydrophobicContact CD1-CD1 4.37Å; F543-L547 HydrophobicContact CE1-CD1 3.94Å; F543-L547 HydrophobicContact CZ-CD1 4.18Å; F543-L547 PolarHBondContact O-N 2.83Å; L544-L547 PolarHBondContact O-N 3.05Å; L547-C549 PolarHBondContact O-N 3.48Å; L547-S550 WeakPolarHBondContact O-CB 3.17Å; L547-S550 PolarHBondContact O-N 3Å; L547-S550 PolarHBondContact O-OG 3.41Å; L547-E1019 HydrophobicContact CD2-CB 4.08Å; L547-E1019 HydrophobicContact CD2-CG 3.41Å; L547-E1019 VanDerWaalsContact CD2-CG 3.41Å; L547-E1019 WeakPolarHBondContact CD2-OE1 3.13Å; L547-E1019 WeakPolarHBondContact CD2-OE2 3.43Å; L547-L1020 WeakPolarHBondContact O-CD1 3.33Å |
| 548 | L | 31.1 | Very low | 32.9 | Very low | 28 Ų | 28 | 71.4 Ų | 71.4 | 15% | 0.147 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.5 | -22.8 | 171 | -91.3 | 142 | 0 | 0 | 0 | 113.3 | L544 L545 L1011 L1020 Q1023 L1024 | L544-L548 WeakPolarHBondContact O-CB 3.41Å; L544-L548 WeakPolarHBondContact O-CD1 3.32Å; L544-L548 PolarHBondContact O-N 2.89Å; L545-L548 PolarHBondContact O-N 2.95Å; L548-L1011 HydrophobicContact CD2-CD1 4.38Å; L548-L1020 VanDerWaalsContact C-CD1 3.49Å; L548-L1020 VanDerWaalsContact CA-CG 3.43Å; L548-L1020 HydrophobicContact CB-CD1 4.28Å; L548-L1020 HydrophobicContact CB-CD2 4.39Å; L548-L1020 HydrophobicContact CB-CG 3.9Å; L548-L1020 HydrophobicContact CD2-CB 4.02Å; L548-L1020 HydrophobicContact CD2-CD2 3.44Å; L548-L1020 VanDerWaalsContact CD2-CD2 3.44Å; L548-L1020 HydrophobicContact CD2-CG 3.32Å; L548-L1020 WeakPolarHBondContact CD2-O 3.17Å; L548-L1020 HydrophobicContact CG-CB 4.28Å; L548-L1020 HydrophobicContact CG-CD1 4.4Å; L548-L1020 HydrophobicContact CG-CD2 4.19Å; L548-L1020 HydrophobicContact CG-CG 3.58Å; L548-L1020 WeakPolarHBondContact CG-O 3.38Å; L548-L1020 VanDerWaalsContact O-CD1 3.28Å; L548-L1020 WeakPolarHBondContact O-CD1 3.17Å; L548-L1020 WeakPolarHBondContact O-CD2 3.32Å; L548-Q1023 HydrophobicContact CD1-CB 4.05Å; L548-L1024 HydrophobicContact CD1-CB 4.3Å; L548-L1024 HydrophobicContact CD2-CB 4.33Å |
| 549 | C | 31 | Very low | 32.9 | Very low | 17 Ų | 17 | 67.1 Ų | 67.1 | 12% | 0.115 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -85 | -26.2 | 172.2 | -78.1 | 0 | 0 | 0 | 0 | 113.2 | L545 G546 L547 I551 E554 P555 D557 | L545-C549 PolarHBondContact O-N 2.96Å; L545-C549 VanDerWaalsContact O-N 3.12Å; L545-C549 PolarHBondContact O-SG 3.21Å; L545-C549 VanDerWaalsContact O-SG 3.37Å; G546-C549 PolarHBondContact O-N 3.35Å; L547-C549 PolarHBondContact O-N 3.48Å; C549-I551 PolarHBondContact O-N 3.09Å; C549-E554 WeakPolarHBondContact O-CG 3.27Å; C549-P555 HydrophobicContact CB-CB 4.48Å; C549-D557 PolarHBondContact SG-N 3.21Å; C549-D557 VanDerWaalsContact SG-N 3.44Å; C549-D557 PolarHBondContact SG-OD1 2.99Å |
| 550 | S | 27.8 | Very low | 33 | Very low | 47 Ų | 47 | 61.8 Ų | 61.8 | 33% | 0.329 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -64.9 | -17.9 | -168.9 | 67.6 | 0 | 0 | 0 | 0 | 115.4 | G546 L547 E554 | G546-S550 PolarHBondContact O-N 3.39Å; L547-S550 WeakPolarHBondContact O-CB 3.17Å; L547-S550 PolarHBondContact O-N 3Å; L547-S550 PolarHBondContact O-OG 3.41Å; S550-E554 VanDerWaalsContact CA-OE1 3.26Å; S550-E554 WeakPolarHBondContact CA-OE1 3.37Å |
| 551 | I | 31.3 | Very low | 33 | Very low | 58 Ų | 58 | 59.5 Ų | 59.5 | 30% | 0.297 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -129.2 | -2.8 | -172.4 | -39 | 112.3 | 0 | 0 | 0 | 115.7 | C549 G553 P1017 L1020 | C549-I551 PolarHBondContact O-N 3.09Å; I551-G553 PolarHBondContact O-N 3.42Å; I551-G553 VanDerWaalsContact O-N 3.1Å; I551-P1017 HydrophobicContact CB-CB 4.48Å; I551-P1017 HydrophobicContact CB-CG 3.27Å; I551-P1017 HydrophobicContact CD1-CB 3.67Å; I551-P1017 VanDerWaalsContact CD1-CD 3.44Å; I551-P1017 HydrophobicContact CD1-CG 3.32Å; I551-P1017 HydrophobicContact CG1-CB 4.13Å; I551-P1017 VanDerWaalsContact CG1-CD 3.48Å; I551-P1017 HydrophobicContact CG1-CG 3.24Å; I551-P1017 HydrophobicContact CG2-CG 3.05Å; I551-L1020 HydrophobicContact CB-CD1 4.29Å; I551-L1020 HydrophobicContact CD1-CD1 3.4Å; I551-L1020 VanDerWaalsContact CD1-CD1 3.4Å; I551-L1020 HydrophobicContact CG1-CD1 4.36Å |
| 552 | W | 30.8 | Very low | 32.8 | Very low | 134 Ų | 134 | 60.8 Ų | 60.8 | 51% | 0.508 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -78.6 | 78.1 | 144.1 | -80.5 | 40.5 | 0 | 0 | 0 | 106.5 | E554 L1011 N1014 | W552-E554 WeakPolarHBondContact O-CA 3.07Å; W552-E554 PolarHBondContact O-N 3.24Å; W552-L1011 HydrophobicContact CZ2-CD2 3.86Å; W552-L1011 VanDerWaalsContact NE1-CD2 3.31Å; W552-N1014 HydrophobicContact CZ2-CB 4.36Å |
| 553 | G | 28.1 | Very low | 32.7 | Very low | 75 Ų | 75 | 57.6 Ų | 57.6 | 77% | 0.773 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -6.7 | 96 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | I551 | I551-G553 PolarHBondContact O-N 3.42Å; I551-G553 VanDerWaalsContact O-N 3.1Å |
| 554 | E | 29.1 | Very low | 32.6 | Very low | 120 Ų | 120 | 56.6 Ų | 56.6 | 56% | 0.561 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -47.6 | 163 | -153.3 | -82.5 | -148.3 | 169 | 0 | 0 | 120.3 | C549 S550 W552 | C549-E554 WeakPolarHBondContact O-CG 3.27Å; S550-E554 VanDerWaalsContact CA-OE1 3.26Å; S550-E554 WeakPolarHBondContact CA-OE1 3.37Å; W552-E554 WeakPolarHBondContact O-CA 3.07Å; W552-E554 PolarHBondContact O-N 3.24Å |
| 555 | P | 40.7 | Very low | 32.6 | Very low | 57 Ų | 57 | 57.8 Ų | 57.8 | 37% | 0.37 | 34% | 0.344 | S | S | . | . | cis | -131.2 | 168.2 | -31.7 | 36.9 | -19.4 | 0 | 0 | 0 | 110.5 | C549 | C549-P555 HydrophobicContact CB-CB 4.48Š| ||
| 556 | N | 32.6 | Very low | 32.5 | Very low | 69 Ų | 69 | 63.5 Ų | 63.5 | 37% | 0.369 | 38% | 0.375 | S | S | . | . | 173.5 | 139.6 | 66.9 | -126.4 | -19.4 | 0 | 0 | 0 | 112 | Y585 K589 | N556-Y585 VanDerWaalsContact CA-OH 3.29Å; N556-Y585 WeakPolarHBondContact CA-OH 3.45Å; N556-Y585 HydrophobicContact CB-CD2 4.06Å; N556-Y585 HydrophobicContact CB-CE1 4.15Å; N556-Y585 HydrophobicContact CB-CE2 3.22Å; N556-Y585 WeakPolarHBondContact CB-OH 3.47Å; N556-Y585 VanDerWaalsContact CG-CZ 3.42Å; N556-Y585 WeakPolarHBondContact ND2-CE2 3.47Å; N556-Y585 PolarHBondContact O-OH 3.15Å; N556-Y585 PolarHBondContact OD1-OH 2.99Å; N556-K589 WeakPolarHBondContact O-CD 3.5Å; N556-K589 WeakPolarHBondContact O-CE 3.25Å; N556-K589 PolarHBondContact O-NZ 3.01Å | |||
| 557 | D | 38.1 | Very low | 32.6 | Very low | 30 Ų | 30 | 70.6 Ų | 70.6 | 16% | 0.16 | 40% | 0.395 | C | S | . | . | trans | 14.3 | 110.8 | 159.7 | -31.6 | -54.4 | 0 | 0 | 0 | 122.4 | C549 D576 Y585 K589 | C549-D557 PolarHBondContact SG-N 3.21Å; C549-D557 VanDerWaalsContact SG-N 3.44Å; C549-D557 PolarHBondContact SG-OD1 2.99Å; D557-D576 VanDerWaalsContact O-OD2 3.05Å; D557-Y585 WeakPolarHBondContact CA-OH 3.26Å; D557-Y585 HydrophobicContact CB-CE1 4.29Å; D557-Y585 WeakPolarHBondContact CB-OH 3.12Å; D557-Y585 PolarHBondContact N-OH 3.42Å; D557-Y585 WeakPolarHBondContact O-CE1 3.37Å; D557-Y585 PolarHBondContact O-OH 3.3Å; D557-Y585 PolarHBondContact OD2-OH 2.86Å; D557-K589 PolarHBondContact O-NZ 3.3Å | ||
| 558 | T | 38.1 | Very low | 32.4 | Very low | 37 Ų | 37 | 77.5 Ų | 77.5 | 23% | 0.227 | 43% | 0.431 | C | S | . | . | trans | 177.8 | 146.3 | 156.2 | -31.7 | 0 | 0 | 0 | 0 | 111.2 | V574 L575 D576 K589 | T558-V574 HydrophobicContact CG2-CG1 3.49Å; T558-V574 VanDerWaalsContact CG2-CG1 3.49Å; T558-L575 WeakPolarHBondContact CG2-O 3.24Å; T558-D576 VanDerWaalsContact CG2-CA 3.42Å; T558-D576 HydrophobicContact CG2-CB 3.44Å; T558-D576 VanDerWaalsContact CG2-CB 3.44Å; T558-K589 WeakPolarHBondContact OG1-CD 3.5Å; T558-K589 WeakPolarHBondContact OG1-CE 3.44Å; T558-K589 PolarHBondContact OG1-NZ 2.99Å | ||
| 559 | L | 34.8 | Very low | 32.2 | Very low | 39 Ų | 39 | 77.2 Ų | 77.2 | 20% | 0.204 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 137.2 | 172.9 | -166.5 | 110.5 | 0 | 0 | 0 | 111.5 | L575 L996 F999 T1000 | L559-L575 PolarHBondContact O-N 2.99Å; L559-L996 HydrophobicContact CB-CD1 4.13Å; L559-L996 HydrophobicContact CB-CD2 4.13Å; L559-L996 HydrophobicContact CB-CG 4.28Å; L559-L996 HydrophobicContact CD1-CD2 4.08Å; L559-L996 HydrophobicContact CD2-CD2 4.45Å; L559-L996 HydrophobicContact CD2-CG 4.13Å; L559-L996 HydrophobicContact CG-CD2 4.45Å; L559-F999 HydrophobicContact CD1-CD1 4.21Å; L559-F999 HydrophobicContact CD2-CB 4.19Å; L559-F999 HydrophobicContact CD2-CD1 3.36Å; L559-F999 HydrophobicContact CD2-CE1 3.8Å; L559-F999 HydrophobicContact CD2-CG 3.85Å; L559-F999 HydrophobicContact CG-CD1 4.17Å; L559-F999 HydrophobicContact CG-CE1 4.41Å; L559-T1000 WeakPolarHBondContact CD1-OG1 3.43Å |
| 560 | I | 35.9 | Very low | 32.2 | Very low | 78 Ų | 78 | 78.1 Ų | 78.1 | 40% | 0.4 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 112.3 | -179.1 | -50.8 | 178.7 | 0 | 0 | 0 | 109.2 | C562 C572 E573 V574 L593 | I560-C562 WeakPolarHBondContact CG2-SG 3.03Å; I560-C572 HydrophobicContact CG2-CB 3.49Å; I560-C572 VanDerWaalsContact CG2-CB 3.49Å; I560-E573 CarbonylContact C-O 3.55Å; I560-V574 HydrophobicContact CG1-CG2 4.44Å; I560-V574 HydrophobicContact CG2-CG2 4.38Å; I560-L593 HydrophobicContact CD1-CD2 4.09Å |
| 561 | N | 33.1 | Very low | 32.5 | Very low | 58 Ų | 58 | 78.5 Ų | 78.5 | 31% | 0.31 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 101.2 | 170 | 175.6 | 36.5 | 0 | 0 | 0 | 110.6 | C572 E573 F999 | N561-C572 CarbonylContact O-C 3.43Å; N561-C572 WeakPolarHBondContact O-CA 3.43Å; N561-E573 WeakPolarHBondContact CA-O 3.44Å; N561-E573 HydrophobicContact CB-CB 4.07Å; N561-E573 PolarHBondContact N-O 3.46Å; N561-E573 PolarHBondContact ND2-OE2 3.5Å; N561-E573 PolarHBondContact O-N 3.34Å; N561-F999 HydrophobicContact CB-CE2 4.38Å; N561-F999 HydrophobicContact CB-CZ 4.45Å |
| 562 | C | 31.3 | Very low | 32.4 | Very low | 75 Ų | 75 | 77.6 Ų | 77.6 | 51% | 0.507 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 129.5 | 179 | -58.2 | 0 | 0 | 0 | 0 | 113.3 | I560 F571 C572 | I560-C562 WeakPolarHBondContact CG2-SG 3.03Å; C562-F571 CarbonylContact C-O 3.52Å; C562-F571 WeakPolarHBondContact CA-O 3.21Å; C562-C572 HydrophobicContact CB-CB 4.15Å; C562-C572 WeakPolarHBondContact CB-SG 3.29Å; C562-C572 WeakPolarHBondContact SG-CB 3.38Å; C562-C572 CovalentContact SG-SG 2.04Å; C562-C572 PolarHBondContact SG-SG 3.19Å |
| 563 | G | 32.3 | Very low | 32.5 | Very low | 20 Ų | 20 | 73.9 Ų | 73.9 | 21% | 0.206 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 166 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G570 F571 | G563-G570 CarbonylContact O-C 3.42Å; G563-G570 VanDerWaalsContact O-CA 3.28Å; G563-G570 WeakPolarHBondContact O-CA 3.41Å; G563-F571 PolarHBondContact N-O 3.07Å; G563-F571 WeakPolarHBondContact O-CD1 3.4Å; G563-F571 PolarHBondContact O-N 3.5Å |
| 564 | V | 29.4 | Very low | 32.9 | Very low | 113 Ų | 113 | 70.8 Ų | 70.8 | 69% | 0.685 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 131.5 | 177.9 | -175.1 | 0 | 0 | 0 | 0 | 108.9 | ||
| 565 | T | 32.3 | Very low | 33.3 | Very low | 40 Ų | 40 | 68.1 Ų | 68.1 | 25% | 0.245 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 151.7 | 168.4 | 55.3 | 0 | 0 | 0 | 0 | 110.3 | K567 C569 F571 K608 | T565-K567 PolarHBondContact O-N 3.13Å; T565-C569 PolarHBondContact N-O 2.98Å; T565-C569 PolarHBondContact OG1-O 3.17Å; T565-F571 HydrophobicContact CG2-CD1 4.01Å; T565-F571 HydrophobicContact CG2-CE1 4.02Å; T565-K608 PolarHBondContact OG1-NZ 3.37Å |
| 566 | D | 34.1 | Very low | 33.4 | Very low | 171 Ų | 171 | 66.1 Ų | 66.1 | 91% | 0.914 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.3 | 4.2 | -165.8 | -67 | -41.3 | 0 | 0 | 0 | 119 | ||
| 567 | K | 30.6 | Very low | 33.8 | Very low | 184 Ų | 184 | 63.8 Ų | 63.8 | 80% | 0.8 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.8 | 53.5 | 178.6 | -67.3 | -171.5 | 176 | -176.9 | 0 | 113.9 | T565 C569 | T565-K567 PolarHBondContact O-N 3.13Å; K567-C569 PolarHBondContact O-N 3.15Å |
| 568 | L | 28 | Very low | 33.8 | Very low | 177 Ų | 177 | 64.3 Ų | 64.3 | 93% | 0.927 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 2.8 | 171.3 | -78.9 | 156.6 | 0 | 0 | 0 | 117 | ||
| 569 | C | 27 | Very low | 34 | Very low | 23 Ų | 23 | 63 Ų | 63 | 16% | 0.155 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 108.2 | 176.8 | -115.8 | 0 | 0 | 0 | 0 | 108.3 | T565 K567 C605 | T565-C569 PolarHBondContact N-O 2.98Å; T565-C569 PolarHBondContact OG1-O 3.17Å; K567-C569 PolarHBondContact O-N 3.15Å; C569-C605 WeakPolarHBondContact CB-SG 3.37Å; C569-C605 WeakPolarHBondContact SG-CB 3.31Å; C569-C605 CovalentContact SG-SG 2.08Å; C569-C605 PolarHBondContact SG-SG 2.94Å |
| 570 | G | 30.4 | Very low | 34.4 | Very low | 36 Ų | 36 | 62.6 Ų | 62.6 | 37% | 0.371 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 144.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G563 | G563-G570 CarbonylContact O-C 3.42Å; G563-G570 VanDerWaalsContact O-CA 3.28Å; G563-G570 WeakPolarHBondContact O-CA 3.41Å |
| 571 | F | 33.8 | Very low | 34.7 | Very low | 54 Ų | 54 | 59.5 Ų | 59.5 | 24% | 0.237 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 149.2 | 166.2 | 68.7 | -87.6 | 0 | 0 | 0 | 108.6 | C562 G563 T565 E573 | C562-F571 CarbonylContact C-O 3.52Å; C562-F571 WeakPolarHBondContact CA-O 3.21Å; G563-F571 PolarHBondContact N-O 3.07Å; G563-F571 WeakPolarHBondContact O-CD1 3.4Å; G563-F571 PolarHBondContact O-N 3.5Å; T565-F571 HydrophobicContact CG2-CD1 4.01Å; T565-F571 HydrophobicContact CG2-CE1 4.02Å; F571-E573 HydrophobicContact CD2-CG 4.09Å; F571-E573 HydrophobicContact CE2-CG 4.1Å |
| 572 | C | 30.5 | Very low | 35.5 | Very low | 40 Ų | 40 | 62.7 Ų | 62.7 | 27% | 0.27 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 100.7 | -180 | -73.4 | 0 | 0 | 0 | 0 | 108.8 | I560 N561 C562 P610 | I560-C572 HydrophobicContact CG2-CB 3.49Å; I560-C572 VanDerWaalsContact CG2-CB 3.49Å; N561-C572 CarbonylContact O-C 3.43Å; N561-C572 WeakPolarHBondContact O-CA 3.43Å; C562-C572 HydrophobicContact CB-CB 4.15Å; C562-C572 WeakPolarHBondContact CB-SG 3.29Å; C562-C572 WeakPolarHBondContact SG-CB 3.38Å; C562-C572 CovalentContact SG-SG 2.04Å; C562-C572 PolarHBondContact SG-SG 3.19Å; C572-P610 WeakPolarHBondContact O-CG 3.28Å |
| 573 | E | 33.1 | Very low | 36.4 | Very low | 55 Ų | 55 | 59.6 Ų | 59.6 | 26% | 0.257 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 126.1 | 171.6 | -71.2 | 173.3 | 177.6 | 0 | 0 | 109.9 | I560 N561 F571 P610 Y612 | I560-E573 CarbonylContact C-O 3.55Å; N561-E573 WeakPolarHBondContact CA-O 3.44Å; N561-E573 HydrophobicContact CB-CB 4.07Å; N561-E573 PolarHBondContact N-O 3.46Å; N561-E573 PolarHBondContact ND2-OE2 3.5Å; N561-E573 PolarHBondContact O-N 3.34Å; F571-E573 HydrophobicContact CD2-CG 4.09Å; F571-E573 HydrophobicContact CE2-CG 4.1Å; E573-P610 HydrophobicContact CG-CB 4.49Å; E573-Y612 HydrophobicContact CG-CE2 4.21Å |
| 574 | V | 36.1 | Very low | 37.4 | Very low | 10 Ų | 10 | 60.3 Ų | 60.3 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 118 | -179.8 | 178.1 | 0 | 0 | 0 | 0 | 105.7 | T558 I560 Y590 L593 | T558-V574 HydrophobicContact CG2-CG1 3.49Å; T558-V574 VanDerWaalsContact CG2-CG1 3.49Å; I560-V574 HydrophobicContact CG1-CG2 4.44Å; I560-V574 HydrophobicContact CG2-CG2 4.38Å; V574-Y590 HydrophobicContact CB-CE1 4.01Å; V574-Y590 HydrophobicContact CG1-CE1 4.33Å; V574-Y590 PolarHBondContact O-OH 3.27Å; V574-L593 HydrophobicContact CB-CD1 4.34Å; V574-L593 HydrophobicContact CG1-CD1 3.82Å; V574-L593 HydrophobicContact CG2-CD1 3.7Å |
| 575 | L | 38 | Very low | 38.3 | Very low | 64 Ų | 64 | 56.6 Ų | 56.6 | 34% | 0.335 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 101.2 | -175.7 | -146.5 | 83.9 | 0 | 0 | 0 | 109.3 | T558 L559 L577 | T558-L575 WeakPolarHBondContact CG2-O 3.24Å; L559-L575 PolarHBondContact O-N 2.99Å; L575-L577 HydrophobicContact CD2-CD1 3.5Å; L575-L577 HydrophobicContact CD2-CD2 3.82Å; L575-L577 HydrophobicContact CD2-CG 3.58Å; L575-L577 HydrophobicContact CG-CD1 4.39Å; L575-L577 HydrophobicContact CG-CD2 4.15Å; L575-L577 HydrophobicContact CG-CG 3.95Å; L575-L577 PolarHBondContact O-N 2.95Å |
| 576 | D | 42.9 | Very low | 39 | Very low | 15 Ų | 15 | 55.3 Ų | 55.3 | 8% | 0.08 | 29% | 0.285 | C | S | . | . | trans | -95.8 | 83.9 | 171.3 | -164.7 | -9.4 | 0 | 0 | 0 | 109.5 | D557 T558 K578 N579 Y585 | D557-D576 VanDerWaalsContact O-OD2 3.05Å; T558-D576 VanDerWaalsContact CG2-CA 3.42Å; T558-D576 HydrophobicContact CG2-CB 3.44Å; T558-D576 VanDerWaalsContact CG2-CB 3.44Å; D576-K578 PolarHBondContact O-N 2.88Å; D576-K578 WeakPolarHBondContact OD1-CB 3.22Å; D576-K578 PolarHBondContact OD1-N 3.15Å; D576-N579 PolarHBondContact OD1-N 3.35Å; D576-N579 WeakPolarHBondContact OD2-CB 3.37Å; D576-N579 PolarHBondContact OD2-ND2 2.85Å; D576-Y585 WeakPolarHBondContact OD2-CE1 3.44Å | ||
| 577 | L | 40.4 | Very low | 39.9 | Very low | 20 Ų | 20 | 48.1 Ų | 48.1 | 11% | 0.105 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -13.8 | 177.3 | -72 | 172.6 | 0 | 0 | 0 | 113 | L575 I580 A992 L996 | L575-L577 HydrophobicContact CD2-CD1 3.5Å; L575-L577 HydrophobicContact CD2-CD2 3.82Å; L575-L577 HydrophobicContact CD2-CG 3.58Å; L575-L577 HydrophobicContact CG-CD1 4.39Å; L575-L577 HydrophobicContact CG-CD2 4.15Å; L575-L577 HydrophobicContact CG-CG 3.95Å; L575-L577 PolarHBondContact O-N 2.95Å; L577-I580 HydrophobicContact CD2-CD1 4.19Å; L577-A992 HydrophobicContact CB-CB 3.66Å; L577-A992 HydrophobicContact CD1-CB 3.89Å; L577-A992 WeakPolarHBondContact CD1-O 2.98Å; L577-A992 HydrophobicContact CD2-CB 4.04Å; L577-A992 HydrophobicContact CG-CB 4.05Å; L577-L996 HydrophobicContact CB-CD1 4.41Å; L577-L996 HydrophobicContact CD1-CB 4.46Å; L577-L996 HydrophobicContact CD1-CD1 4.27Å |
| 578 | K | 38 | Very low | 41 | Very low | 42 Ų | 42 | 46.1 Ų | 46.1 | 18% | 0.183 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -22.5 | -179.8 | -165.3 | 179.4 | 175 | -169.9 | 0 | 112.4 | L545 D576 L993 | L545-K578 HydrophobicContact CD1-CD 4.38Å; D576-K578 PolarHBondContact O-N 2.88Å; D576-K578 WeakPolarHBondContact OD1-CB 3.22Å; D576-K578 PolarHBondContact OD1-N 3.15Å; K578-L993 HydrophobicContact CB-CD2 4Å; K578-L993 HydrophobicContact CD-CD2 4.34Å; K578-L993 HydrophobicContact CG-CD1 4.4Å; K578-L993 HydrophobicContact CG-CD2 4.16Å |
| 579 | N | 42.8 | Very low | 42 | Very low | 8 Ų | 8 | 39.7 Ų | 39.7 | 4% | 0.043 | 20% | 0.203 | C | C | . | . | trans | -130 | 30.4 | -174.5 | -67.8 | -53.5 | 0 | 0 | 0 | 112.4 | D576 N581 K582 Y585 N586 | D576-N579 PolarHBondContact OD1-N 3.35Å; D576-N579 WeakPolarHBondContact OD2-CB 3.37Å; D576-N579 PolarHBondContact OD2-ND2 2.85Å; N579-N581 PolarHBondContact O-N 3.04Å; N579-K582 HydrophobicContact CB-CB 4.13Å; N579-K582 PolarHBondContact O-N 3.17Å; N579-K582 WeakPolarHBondContact OD1-CD 3.48Å; N579-K582 PolarHBondContact OD1-NZ 3.19Å; N579-Y585 HydrophobicContact CB-CD1 4.41Å; N579-N586 PolarHBondContact O-ND2 2.7Å | ||
| 580 | I | 42.2 | Very low | 43.2 | Very low | 32 Ų | 32 | 40.5 Ų | 40.5 | 16% | 0.164 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -34.3 | 175.3 | -114.2 | 169.2 | 0 | 0 | 0 | 111.2 | L577 F987 | L577-I580 HydrophobicContact CD2-CD1 4.19Å; I580-F987 HydrophobicContact CG2-CB 4.49Å; I580-F987 HydrophobicContact CG2-CD2 3.52Å; I580-F987 HydrophobicContact CG2-CE2 3.99Å; I580-F987 HydrophobicContact CG2-CG 4.16Å |
| 581 | N | 43 | Very low | 44.5 | Very low | 13 Ų | 13 | 42.8 Ų | 42.8 | 7% | 0.07 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 4.3 | 178.9 | -59 | -35.8 | 0 | 0 | 0 | 114.1 | N579 S980 H983 E989 | N579-N581 PolarHBondContact O-N 3.04Å; N581-S980 VanDerWaalsContact O-CA 3.3Å; N581-S980 WeakPolarHBondContact O-CA 3.19Å; N581-S980 WeakPolarHBondContact O-CB 3.49Å; N581-S980 PolarHBondContact O-OG 3.1Å; N581-H983 PolarHBondContact OD1-O 2.88Å; N581-E989 PolarHBondContact ND2-OE1 2.95Å; N581-E989 VanDerWaalsContact ND2-OE1 3.16Å |
| 582 | K | 48.7 | Very low | 45.4 | Very low | 125 Ų | 125 | 43 Ų | 43 | 54% | 0.543 | 21% | 0.207 | S | C | . | . | trans | -120.8 | 78.1 | 175.7 | -60.2 | -176.4 | -168.7 | 153 | 0 | 110.5 | N579 V584 Y585 N586 | N579-K582 HydrophobicContact CB-CB 4.13Å; N579-K582 PolarHBondContact O-N 3.17Å; N579-K582 WeakPolarHBondContact OD1-CD 3.48Å; N579-K582 PolarHBondContact OD1-NZ 3.19Å; K582-V584 VanDerWaalsContact C-N 3.33Å; K582-V584 PolarHBondContact O-N 3.15Å; K582-Y585 WeakPolarHBondContact O-CB 3.34Å; K582-Y585 PolarHBondContact O-N 3.1Å; K582-N586 PolarHBondContact O-N 3.43Å | ||
| 583 | L | 50 | Low | 46.4 | Very low | 9 Ų | 9 | 42.8 Ų | 42.8 | 5% | 0.047 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69 | -28.2 | -171.4 | -61.2 | 167.6 | 0 | 0 | 0 | 114.1 | Y585 N586 T587 F616 L976 E979 S980 | L583-Y585 VanDerWaalsContact C-N 3.28Å; L583-Y585 PolarHBondContact O-N 2.92Å; L583-N586 PolarHBondContact O-N 3.22Å; L583-T587 WeakPolarHBondContact O-CB 3.49Å; L583-T587 PolarHBondContact O-N 3.24Å; L583-T587 PolarHBondContact O-OG1 3.32Å; L583-F616 HydrophobicContact CD1-CD1 4.4Å; L583-F616 HydrophobicContact CD1-CE1 3.74Å; L583-F616 HydrophobicContact CD2-CD1 3.44Å; L583-F616 VanDerWaalsContact CD2-CD1 3.44Å; L583-F616 HydrophobicContact CD2-CE1 3.18Å; L583-F616 HydrophobicContact CD2-CG 4.34Å; L583-F616 HydrophobicContact CD2-CZ 3.85Å; L583-F616 HydrophobicContact CG-CE1 4.01Å; L583-L976 HydrophobicContact CB-CB 3.96Å; L583-L976 HydrophobicContact CB-CD2 3.86Å; L583-L976 HydrophobicContact CB-CG 4.41Å; L583-E979 HydrophobicContact CD1-CB 3.47Å; L583-E979 VanDerWaalsContact CD1-CB 3.47Å; L583-S980 WeakPolarHBondContact CB-OG 3.45Å; L583-S980 PolarHBondContact N-OG 3.08Å |
| 584 | V | 53.4 | Low | 47.4 | Very low | 35 Ų | 35 | 41.1 Ų | 41.1 | 21% | 0.212 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.5 | -46.3 | 174.5 | 172 | 0 | 0 | 0 | 0 | 111.1 | K582 K588 K973 L976 N977 | K582-V584 VanDerWaalsContact C-N 3.33Å; K582-V584 PolarHBondContact O-N 3.15Å; V584-K588 PolarHBondContact O-N 3.32Å; V584-K973 HydrophobicContact CB-CG 4.44Å; V584-K973 HydrophobicContact CG1-CD 4.18Å; V584-K973 HydrophobicContact CG1-CG 3.75Å; V584-K973 HydrophobicContact CG2-CB 4.49Å; V584-K973 HydrophobicContact CG2-CG 3.75Å; V584-K973 WeakPolarHBondContact CG2-O 3.18Å; V584-L976 HydrophobicContact CB-CB 4.48Å; V584-L976 HydrophobicContact CG2-CB 3.58Å; V584-L976 HydrophobicContact CG2-CD1 4.4Å; V584-N977 WeakPolarHBondContact CG2-OD1 3.46Å |
| 585 | Y | 48.9 | Very low | 48.5 | Very low | 35 Ų | 35 | 43 Ų | 43 | 14% | 0.137 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.5 | -50.5 | -178.2 | 178.5 | -80.6 | 0 | 0 | 0 | 111.3 | N556 D557 D576 N579 K582 L583 T587 K588 K589 | N556-Y585 VanDerWaalsContact CA-OH 3.29Å; N556-Y585 WeakPolarHBondContact CA-OH 3.45Å; N556-Y585 HydrophobicContact CB-CD2 4.06Å; N556-Y585 HydrophobicContact CB-CE1 4.15Å; N556-Y585 HydrophobicContact CB-CE2 3.22Å; N556-Y585 WeakPolarHBondContact CB-OH 3.47Å; N556-Y585 VanDerWaalsContact CG-CZ 3.42Å; N556-Y585 WeakPolarHBondContact ND2-CE2 3.47Å; N556-Y585 PolarHBondContact O-OH 3.15Å; N556-Y585 PolarHBondContact OD1-OH 2.99Å; D557-Y585 WeakPolarHBondContact CA-OH 3.26Å; D557-Y585 HydrophobicContact CB-CE1 4.29Å; D557-Y585 WeakPolarHBondContact CB-OH 3.12Å; D557-Y585 PolarHBondContact N-OH 3.42Å; D557-Y585 WeakPolarHBondContact O-CE1 3.37Å; D557-Y585 PolarHBondContact O-OH 3.3Å; D557-Y585 PolarHBondContact OD2-OH 2.86Å; D576-Y585 WeakPolarHBondContact OD2-CE1 3.44Å; N579-Y585 HydrophobicContact CB-CD1 4.41Å; K582-Y585 WeakPolarHBondContact O-CB 3.34Å; K582-Y585 PolarHBondContact O-N 3.1Å; L583-Y585 VanDerWaalsContact C-N 3.28Å; L583-Y585 PolarHBondContact O-N 2.92Å; Y585-T587 VanDerWaalsContact C-N 3.31Å; Y585-T587 PolarHBondContact O-N 2.81Å; Y585-K588 PolarHBondContact O-N 2.76Å; Y585-K589 PolarHBondContact O-N 3.01Å; Y585-K589 VanDerWaalsContact O-N 3.17Å |
| 586 | N | 47.4 | Very low | 49.3 | Very low | 13 Ų | 13 | 45.5 Ų | 45.5 | 7% | 0.07 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.7 | -48.3 | 179.3 | -68.6 | -22.7 | 0 | 0 | 0 | 109.8 | N579 K582 L583 K588 K589 Y590 | N579-N586 PolarHBondContact O-ND2 2.7Å; K582-N586 PolarHBondContact O-N 3.43Å; L583-N586 PolarHBondContact O-N 3.22Å; N586-K588 PolarHBondContact O-N 2.94Å; N586-K589 PolarHBondContact O-N 2.99Å; N586-K589 VanDerWaalsContact O-N 3.11Å; N586-Y590 HydrophobicContact CB-CD2 4.23Å; N586-Y590 HydrophobicContact CB-CE2 4.2Å; N586-Y590 WeakPolarHBondContact O-CD2 3.01Å; N586-Y590 PolarHBondContact O-N 3.21Å |
| 587 | T | 53.1 | Low | 49.7 | Very low | 20 Ų | 20 | 46.7 Ų | 46.7 | 12% | 0.123 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.4 | -41 | -175.3 | -51.4 | 0 | 0 | 0 | 0 | 112.8 | L583 Y585 K589 R591 Y858 F972 L976 | L583-T587 WeakPolarHBondContact O-CB 3.49Å; L583-T587 PolarHBondContact O-N 3.24Å; L583-T587 PolarHBondContact O-OG1 3.32Å; Y585-T587 VanDerWaalsContact C-N 3.31Å; Y585-T587 PolarHBondContact O-N 2.81Å; T587-K589 VanDerWaalsContact C-N 3.26Å; T587-K589 PolarHBondContact O-N 3.35Å; T587-R591 WeakPolarHBondContact O-CB 3.48Å; T587-R591 PolarHBondContact O-N 3.5Å; T587-R591 VanDerWaalsContact O-N 3.1Å; T587-Y858 HydrophobicContact CG2-CE1 4.49Å; T587-F972 HydrophobicContact CG2-CE1 3.59Å; T587-F972 HydrophobicContact CG2-CZ 4.3Å; T587-L976 HydrophobicContact CG2-CD1 4.18Å; T587-L976 WeakPolarHBondContact OG1-CD1 3.49Å |
| 588 | K | 53.8 | Low | 50.6 | Low | 142 Ų | 142 | 45.9 Ų | 45.9 | 62% | 0.617 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -60 | -38.8 | 174.4 | -174.1 | -179.5 | 179.2 | -172 | 0 | 111.8 | V584 Y585 N586 R591 T592 | V584-K588 PolarHBondContact O-N 3.32Å; Y585-K588 PolarHBondContact O-N 2.76Å; N586-K588 PolarHBondContact O-N 2.94Å; K588-R591 WeakPolarHBondContact O-CB 3.45Å; K588-T592 PolarHBondContact O-N 2.95Å; K588-T592 PolarHBondContact O-OG1 3.24Å |
| 589 | K | 48.6 | Very low | 51.5 | Low | 42 Ų | 42 | 49.4 Ų | 49.4 | 18% | 0.183 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -75.7 | -44.6 | -178.9 | -171.9 | 179.3 | -178 | 153.7 | 0 | 113.5 | N556 D557 T558 Y585 N586 T587 R591 T592 L593 | N556-K589 WeakPolarHBondContact O-CD 3.5Å; N556-K589 WeakPolarHBondContact O-CE 3.25Å; N556-K589 PolarHBondContact O-NZ 3.01Å; D557-K589 PolarHBondContact O-NZ 3.3Å; T558-K589 WeakPolarHBondContact OG1-CD 3.5Å; T558-K589 WeakPolarHBondContact OG1-CE 3.44Å; T558-K589 PolarHBondContact OG1-NZ 2.99Å; Y585-K589 PolarHBondContact O-N 3.01Å; Y585-K589 VanDerWaalsContact O-N 3.17Å; N586-K589 PolarHBondContact O-N 2.99Å; N586-K589 VanDerWaalsContact O-N 3.11Å; T587-K589 VanDerWaalsContact C-N 3.26Å; T587-K589 PolarHBondContact O-N 3.35Å; K589-R591 PolarHBondContact O-N 3.25Å; K589-T592 WeakPolarHBondContact O-CB 3.33Å; K589-T592 PolarHBondContact O-N 3.35Å; K589-T592 VanDerWaalsContact O-N 3.1Å; K589-L593 HydrophobicContact CG-CD1 4.15Å; K589-L593 PolarHBondContact O-N 2.95Å |
| 590 | Y | 52.9 | Low | 51.7 | Low | 41 Ų | 41 | 53.6 Ų | 53.6 | 16% | 0.161 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.6 | -40.4 | 174.6 | -84.7 | -75.5 | 0 | 0 | 0 | 111.2 | V574 N586 T592 L593 V594 A613 | V574-Y590 HydrophobicContact CB-CE1 4.01Å; V574-Y590 HydrophobicContact CG1-CE1 4.33Å; V574-Y590 PolarHBondContact O-OH 3.27Å; N586-Y590 HydrophobicContact CB-CD2 4.23Å; N586-Y590 HydrophobicContact CB-CE2 4.2Å; N586-Y590 WeakPolarHBondContact O-CD2 3.01Å; N586-Y590 PolarHBondContact O-N 3.21Å; Y590-T592 PolarHBondContact O-N 2.87Å; Y590-L593 PolarHBondContact O-N 3.32Å; Y590-V594 WeakPolarHBondContact O-CB 3.36Å; Y590-V594 VanDerWaalsContact O-CG2 3.29Å; Y590-V594 WeakPolarHBondContact O-CG2 3.45Å; Y590-V594 PolarHBondContact O-N 3.25Å; Y590-A613 HydrophobicContact CD1-CB 4.31Å; Y590-A613 HydrophobicContact CD2-CB 3.35Å; Y590-A613 HydrophobicContact CE1-CB 4.3Å; Y590-A613 HydrophobicContact CE2-CB 3.43Å; Y590-A613 VanDerWaalsContact CE2-CB 3.43Å; Y590-A613 HydrophobicContact CG-CB 3.86Å |
| 591 | R | 57.3 | Low | 51.9 | Low | 84 Ų | 84 | 53.7 Ų | 53.7 | 32% | 0.317 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -55.1 | -51.4 | 173.4 | -173.8 | -178.7 | 175.3 | 169.4 | 0.6 | 111.8 | T587 K588 K589 L593 V594 E595 Y858 F862 D969 | T587-R591 WeakPolarHBondContact O-CB 3.48Å; T587-R591 PolarHBondContact O-N 3.5Å; T587-R591 VanDerWaalsContact O-N 3.1Å; K588-R591 WeakPolarHBondContact O-CB 3.45Å; K589-R591 PolarHBondContact O-N 3.25Å; R591-L593 VanDerWaalsContact C-N 3.35Å; R591-L593 PolarHBondContact O-N 2.87Å; R591-V594 PolarHBondContact O-N 2.79Å; R591-E595 IonicContact NE-OE1 3.87Å; R591-E595 PolarHBondContact NE-OE1 2.93Å; R591-E595 VanDerWaalsContact O-CG 3.27Å; R591-E595 WeakPolarHBondContact O-CG 3.1Å; R591-E595 PolarHBondContact O-N 2.92Å; R591-Y858 PolarHBondContact NH1-OH 3.4Å; R591-F862 HydrophobicContact CG-CD2 3.78Å; R591-F862 HydrophobicContact CG-CE2 3.42Å; R591-F862 VanDerWaalsContact CG-CE2 3.42Å; R591-F862 HydrophobicContact CG-CZ 4Å; R591-D969 IonicContact NH1-OD1 2.83Å |
| 592 | T | 53.1 | Low | 51.7 | Low | 59 Ų | 59 | 57.9 Ų | 57.9 | 36% | 0.362 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.1 | -39.7 | -179.4 | -50.6 | 0 | 0 | 0 | 0 | 112.3 | K588 K589 Y590 E595 Q596 | K588-T592 PolarHBondContact O-N 2.95Å; K588-T592 PolarHBondContact O-OG1 3.24Å; K589-T592 WeakPolarHBondContact O-CB 3.33Å; K589-T592 PolarHBondContact O-N 3.35Å; K589-T592 VanDerWaalsContact O-N 3.1Å; Y590-T592 PolarHBondContact O-N 2.87Å; T592-E595 PolarHBondContact O-N 3.46Å; T592-Q596 WeakPolarHBondContact O-CG 3.24Å; T592-Q596 PolarHBondContact O-N 3.41Å |
| 593 | L | 50.2 | Low | 51.4 | Low | 35 Ų | 35 | 64.5 Ų | 64.5 | 18% | 0.183 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.1 | -39.6 | 178.3 | -75.9 | 162.7 | 0 | 0 | 0 | 112.3 | I560 V574 K589 Y590 R591 Q596 Q597 | I560-L593 HydrophobicContact CD1-CD2 4.09Å; V574-L593 HydrophobicContact CB-CD1 4.34Å; V574-L593 HydrophobicContact CG1-CD1 3.82Å; V574-L593 HydrophobicContact CG2-CD1 3.7Å; K589-L593 HydrophobicContact CG-CD1 4.15Å; K589-L593 PolarHBondContact O-N 2.95Å; Y590-L593 PolarHBondContact O-N 3.32Å; R591-L593 VanDerWaalsContact C-N 3.35Å; R591-L593 PolarHBondContact O-N 2.87Å; L593-Q596 PolarHBondContact O-N 2.75Å; L593-Q597 WeakPolarHBondContact O-CB 3.47Å; L593-Q597 PolarHBondContact O-N 2.98Å |
| 594 | V | 54.8 | Low | 50.6 | Low | 20 Ų | 20 | 69.5 Ų | 69.5 | 12% | 0.121 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.1 | -42 | 175.5 | 168.4 | 0 | 0 | 0 | 0 | 110.8 | Y590 R591 Q597 M598 M609 F862 | Y590-V594 WeakPolarHBondContact O-CB 3.36Å; Y590-V594 VanDerWaalsContact O-CG2 3.29Å; Y590-V594 WeakPolarHBondContact O-CG2 3.45Å; Y590-V594 PolarHBondContact O-N 3.25Å; R591-V594 PolarHBondContact O-N 2.79Å; V594-Q597 PolarHBondContact O-N 3.34Å; V594-M598 HydrophobicContact CG1-CE 4.39Å; V594-M598 HydrophobicContact CG1-CG 4.34Å; V594-M598 HydrophobicContact CG1-SD 3.69Å; V594-M598 WeakPolarHBondContact O-CB 3.49Å; V594-M598 VanDerWaalsContact O-CG 3.32Å; V594-M598 WeakPolarHBondContact O-CG 3.2Å; V594-M598 PolarHBondContact O-N 3.2Å; V594-M609 HydrophobicContact CB-CE 4.29Å; V594-M609 HydrophobicContact CG1-CE 3.27Å; V594-M609 HydrophobicContact CG1-SD 4.49Å; V594-M609 HydrophobicContact CG2-CE 4.15Å; V594-F862 HydrophobicContact CB-CE1 4.16Å; V594-F862 HydrophobicContact CB-CZ 4.09Å; V594-F862 HydrophobicContact CG1-CE1 3.54Å; V594-F862 HydrophobicContact CG1-CZ 3.71Å |
| 595 | E | 59.8 | Low | 49.6 | Very low | 48 Ų | 48 | 70.5 Ų | 70.5 | 22% | 0.224 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -56.3 | -53.6 | 173.9 | -74 | 170.2 | 175.4 | 0 | 0 | 111.1 | R591 T592 Q597 M598 D599 F862 Q866 | R591-E595 IonicContact NE-OE1 3.87Å; R591-E595 PolarHBondContact NE-OE1 2.93Å; R591-E595 VanDerWaalsContact O-CG 3.27Å; R591-E595 WeakPolarHBondContact O-CG 3.1Å; R591-E595 PolarHBondContact O-N 2.92Å; T592-E595 PolarHBondContact O-N 3.46Å; E595-Q597 VanDerWaalsContact C-N 3.28Å; E595-Q597 PolarHBondContact O-N 3.2Å; E595-M598 PolarHBondContact O-N 3.04Å; E595-D599 PolarHBondContact O-N 3.37Å; E595-F862 HydrophobicContact CG-CE2 3.75Å; E595-F862 HydrophobicContact CG-CZ 3.91Å; E595-F862 WeakPolarHBondContact OE1-CE2 3.03Å; E595-Q866 PolarHBondContact OE1-NE2 3.19Å |
| 596 | Q | 53.3 | Low | 49.1 | Very low | 117 Ų | 117 | 72.9 Ų | 72.9 | 55% | 0.547 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.2 | -35.6 | 178.3 | -71.9 | 176.4 | -6.7 | 0 | 0 | 113.4 | T592 L593 S600 | T592-Q596 WeakPolarHBondContact O-CG 3.24Å; T592-Q596 PolarHBondContact O-N 3.41Å; L593-Q596 PolarHBondContact O-N 2.75Å; Q596-S600 VanDerWaalsContact O-CB 3.3Å; Q596-S600 WeakPolarHBondContact O-CB 3.44Å; Q596-S600 PolarHBondContact O-N 3.01Å; Q596-S600 VanDerWaalsContact O-N 3.08Å; Q596-S600 PolarHBondContact O-OG 3.05Å |
| 597 | Q | 52 | Low | 48.5 | Very low | 40 Ų | 40 | 73 Ų | 73 | 19% | 0.187 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -73.5 | -36.1 | 179 | -170 | 169.3 | 15.3 | 0 | 0 | 112.2 | L593 V594 E595 S600 S601 P607 | L593-Q597 WeakPolarHBondContact O-CB 3.47Å; L593-Q597 PolarHBondContact O-N 2.98Å; V594-Q597 PolarHBondContact O-N 3.34Å; E595-Q597 VanDerWaalsContact C-N 3.28Å; E595-Q597 PolarHBondContact O-N 3.2Å; Q597-S600 PolarHBondContact O-OG 3.4Å; Q597-S601 PolarHBondContact O-N 3.04Å; Q597-S601 PolarHBondContact O-OG 2.93Å; Q597-P607 HydrophobicContact CG-CG 3.58Å |
| 598 | M | 59.4 | Low | 47.5 | Very low | 4 Ų | 4 | 76.8 Ų | 76.8 | 2% | 0.02 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -69.6 | -35.7 | 174.4 | -75.5 | 174 | 144.7 | 0 | 0 | 111.8 | V594 E595 F606 M609 L863 Q866 M870 W881 | V594-M598 HydrophobicContact CG1-CE 4.39Å; V594-M598 HydrophobicContact CG1-CG 4.34Å; V594-M598 HydrophobicContact CG1-SD 3.69Å; V594-M598 WeakPolarHBondContact O-CB 3.49Å; V594-M598 VanDerWaalsContact O-CG 3.32Å; V594-M598 WeakPolarHBondContact O-CG 3.2Å; V594-M598 PolarHBondContact O-N 3.2Å; E595-M598 PolarHBondContact O-N 3.04Å; M598-F606 HydrophobicContact CE-CE1 4.19Å; M598-F606 HydrophobicContact CE-CZ 3.66Å; M598-M609 HydrophobicContact CE-CE 3.68Å; M598-M609 HydrophobicContact CG-CE 4.37Å; M598-M609 HydrophobicContact SD-CE 4.25Å; M598-L863 HydrophobicContact CE-CD2 3.79Å; M598-Q866 HydrophobicContact SD-CB 4.08Å; M598-Q866 HydrophobicContact SD-CG 4.13Å; M598-M870 HydrophobicContact CB-SD 4.19Å; M598-M870 WeakPolarHBondContact O-CE 3.4Å; M598-W881 HydrophobicContact CE-CD2 4.02Å; M598-W881 HydrophobicContact CE-CE3 3.57Å; M598-W881 HydrophobicContact CE-CH2 3.99Å; M598-W881 HydrophobicContact CE-CZ2 4.44Å; M598-W881 HydrophobicContact CE-CZ3 3.55Å; M598-W881 HydrophobicContact SD-CZ3 4.38Å |
| 599 | D | 56.8 | Low | 46.6 | Very low | 116 Ų | 116 | 71.2 Ų | 71.2 | 62% | 0.62 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -75.5 | -34.2 | 178.4 | -74.5 | -21.6 | 0 | 0 | 0 | 113.6 | E595 | E595-D599 PolarHBondContact O-N 3.37Å |
| 600 | S | 46.5 | Very low | 46 | Very low | 96 Ų | 96 | 70.6 Ų | 70.6 | 67% | 0.671 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -83.6 | -16.5 | -176.1 | 56.5 | 0 | 0 | 0 | 0 | 114.7 | Q596 Q597 S602 | Q596-S600 VanDerWaalsContact O-CB 3.3Å; Q596-S600 WeakPolarHBondContact O-CB 3.44Å; Q596-S600 PolarHBondContact O-N 3.01Å; Q596-S600 VanDerWaalsContact O-N 3.08Å; Q596-S600 PolarHBondContact O-OG 3.05Å; Q597-S600 PolarHBondContact O-OG 3.4Å; S600-S602 PolarHBondContact O-N 3.29Å |
| 601 | S | 47.2 | Very low | 45.5 | Very low | 34 Ų | 34 | 69.8 Ų | 69.8 | 24% | 0.238 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -89.2 | 107.2 | -178.9 | 40.8 | 0 | 0 | 0 | 0 | 111.3 | Q597 R603 | Q597-S601 PolarHBondContact O-N 3.04Å; Q597-S601 PolarHBondContact O-OG 2.93Å; S601-R603 PolarHBondContact O-N 2.92Å |
| 602 | S | 38.3 | Very low | 44.5 | Very low | 100 Ų | 100 | 69.8 Ų | 69.8 | 70% | 0.699 | 37% | 0.368 | S | S | * | . | trans | -51.2 | 115.6 | 167.4 | 48.7 | 0 | 0 | 0 | 0 | 109.7 | S600 S604 | S600-S602 PolarHBondContact O-N 3.29Å; S602-S604 PolarHBondContact O-N 3.28Å | ||
| 603 | R | 41.8 | Very low | 43.6 | Very low | 264 Ų | 264 | 67.8 Ų | 67.8 | 100% | 0.996 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -2.7 | 5.4 | 173.2 | -62.2 | -177.6 | -170.8 | 172.5 | 3.3 | 123 | S601 | S601-R603 PolarHBondContact O-N 2.92Š|
| 604 | S | 33.6 | Very low | 43.1 | Very low | 115 Ų | 115 | 67 Ų | 67 | 80% | 0.804 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.3 | -3 | -172.1 | 72.3 | 0 | 0 | 0 | 0 | 116.4 | S602 | S602-S604 PolarHBondContact O-N 3.28Š|
| 605 | C | 33.3 | Very low | 42.2 | Very low | 55 Ų | 55 | 67.1 Ų | 67.1 | 37% | 0.372 | 36% | 0.355 | S | S | . | . | trans | -131.1 | 104.1 | 170.9 | -150.4 | 0 | 0 | 0 | 0 | 107.9 | C569 P607 | C569-C605 WeakPolarHBondContact CB-SG 3.37Å; C569-C605 WeakPolarHBondContact SG-CB 3.31Å; C569-C605 CovalentContact SG-SG 2.08Å; C569-C605 PolarHBondContact SG-SG 2.94Å; C605-P607 WeakPolarHBondContact O-CD 3.35Å | ||
| 606 | F | 38.9 | Very low | 41.2 | Very low | 85 Ų | 85 | 65.5 Ų | 65.5 | 37% | 0.373 | 35% | 0.347 | S | S | . | . | trans | -74.9 | 111.8 | 165.8 | -131.5 | -97.9 | 0 | 0 | 0 | 107.1 | M598 M609 W881 | M598-F606 HydrophobicContact CE-CE1 4.19Å; M598-F606 HydrophobicContact CE-CZ 3.66Å; F606-M609 HydrophobicContact CE1-CE 4.44Å; F606-W881 AromaticContact CD2-NE1 3.64Å; F606-W881 AromaticContact CE1-CD1 3.83Å; F606-W881 HydrophobicContact CE1-CD2 4.43Å; F606-W881 HydrophobicContact CE1-CG 4.18Å; F606-W881 AromaticContact CE1-NE1 3.94Å; F606-W881 AromaticContact CE2-CD1 3.66Å; F606-W881 HydrophobicContact CE2-CD2 4.12Å; F606-W881 AromaticContact CE2-CE2 3.2Å; F606-W881 HydrophobicContact CE2-CG 4.36Å; F606-W881 AromaticContact CE2-CZ2 3.44Å; F606-W881 HydrophobicContact CE2-CZ2 3.44Å; F606-W881 VanDerWaalsContact CE2-CZ2 3.44Å; F606-W881 AromaticContact CE2-NE1 2.91Å; F606-W881 AromaticContact CZ-CD1 3.41Å; F606-W881 VanDerWaalsContact CZ-CD1 3.41Å; F606-W881 AromaticContact CZ-CD2 3.6Å; F606-W881 HydrophobicContact CZ-CD2 3.6Å; F606-W881 AromaticContact CZ-CE2 3.16Å; F606-W881 HydrophobicContact CZ-CE3 4.41Å; F606-W881 AromaticContact CZ-CG 3.75Å; F606-W881 HydrophobicContact CZ-CG 3.75Å; F606-W881 HydrophobicContact CZ-CH2 4.42Å; F606-W881 AromaticContact CZ-CZ2 3.64Å; F606-W881 HydrophobicContact CZ-CZ2 3.64Å; F606-W881 AromaticContact CZ-NE1 3.07Å | ||
| 607 | P | 33.8 | Very low | 40.5 | Very low | 17 Ų | 17 | 60.5 Ų | 60.5 | 11% | 0.11 | 32% | 0.324 | C | S | . | . | trans | -68 | 148.8 | 178.7 | 27.1 | -30.9 | 0 | 0 | 0 | 110.1 | Q597 C605 M609 | Q597-P607 HydrophobicContact CG-CG 3.58Å; C605-P607 WeakPolarHBondContact O-CD 3.35Å; P607-M609 PolarHBondContact O-N 3.44Å | ||
| 608 | K | 32.1 | Very low | 39.9 | Very low | 99 Ų | 99 | 58.8 Ų | 58.8 | 43% | 0.43 | 32% | 0.316 | S | S | . | . | trans | -63.7 | 103.7 | 175.9 | -66.1 | 171.4 | 179.2 | 163.2 | 0 | 108.1 | T565 | T565-K608 PolarHBondContact OG1-NZ 3.37Š| ||
| 609 | M | 35.4 | Very low | 38.8 | Very low | 24 Ų | 24 | 59.1 Ų | 59.1 | 12% | 0.118 | 32% | 0.321 | C | S | . | . | trans | -64.2 | 129.5 | 176.1 | -84.6 | -176 | 175 | 0 | 0 | 111 | V594 M598 F606 P607 L611 | V594-M609 HydrophobicContact CB-CE 4.29Å; V594-M609 HydrophobicContact CG1-CE 3.27Å; V594-M609 HydrophobicContact CG1-SD 4.49Å; V594-M609 HydrophobicContact CG2-CE 4.15Å; M598-M609 HydrophobicContact CE-CE 3.68Å; M598-M609 HydrophobicContact CG-CE 4.37Å; M598-M609 HydrophobicContact SD-CE 4.25Å; F606-M609 HydrophobicContact CE1-CE 4.44Å; P607-M609 PolarHBondContact O-N 3.44Å; M609-L611 HydrophobicContact CB-CD1 3.8Å; M609-L611 HydrophobicContact CB-CG 4.32Å | ||
| 610 | P | 35.9 | Very low | 38 | Very low | 29 Ų | 29 | 53.8 Ų | 53.8 | 19% | 0.188 | 29% | 0.292 | C | S | . | . | trans | -85.8 | 113.5 | 166.2 | 20.8 | -8.2 | 0 | 0 | 0 | 109.1 | C572 E573 Y612 | C572-P610 WeakPolarHBondContact O-CG 3.28Å; E573-P610 HydrophobicContact CG-CB 4.49Å; P610-Y612 HydrophobicContact CB-CD2 4.23Å; P610-Y612 HydrophobicContact CB-CE2 4.4Å | ||
| 611 | L | 41.5 | Very low | 37.4 | Very low | 24 Ų | 24 | 52.1 Ų | 52.1 | 13% | 0.126 | 28% | 0.275 | C | S | . | . | trans | -104.6 | 36.8 | -171.7 | -80.1 | 125.7 | 0 | 0 | 0 | 113.3 | M609 A613 L614 S615 F859 S885 R889 | M609-L611 HydrophobicContact CB-CD1 3.8Å; M609-L611 HydrophobicContact CB-CG 4.32Å; L611-A613 VanDerWaalsContact C-N 3.26Å; L611-A613 PolarHBondContact O-N 3.32Å; L611-L614 HydrophobicContact CB-CB 4.15Å; L611-L614 HydrophobicContact CD2-CB 3.56Å; L611-L614 HydrophobicContact CD2-CD2 3.62Å; L611-L614 HydrophobicContact CD2-CG 4.11Å; L611-L614 HydrophobicContact CG-CB 4.48Å; L611-L614 PolarHBondContact O-N 3.35Å; L611-S615 PolarHBondContact O-N 3.03Å; L611-S615 PolarHBondContact O-OG 3.45Å; L611-F859 HydrophobicContact CD2-CE1 4.13Å; L611-F859 HydrophobicContact CD2-CZ 3.79Å; L611-S885 WeakPolarHBondContact CD1-O 3.28Å; L611-R889 HydrophobicContact CD1-CB 4.22Å; L611-R889 HydrophobicContact CD1-CG 3.97Å | ||
| 612 | Y | 37.6 | Very low | 36.7 | Very low | 85 Ų | 85 | 54 Ų | 54 | 33% | 0.333 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -56.2 | -38.1 | -178.6 | -75.5 | -80.7 | 0 | 0 | 0 | 112.9 | E573 P610 S615 F616 | E573-Y612 HydrophobicContact CG-CE2 4.21Å; P610-Y612 HydrophobicContact CB-CD2 4.23Å; P610-Y612 HydrophobicContact CB-CE2 4.4Å; Y612-S615 VanDerWaalsContact CA-OG 3.23Å; Y612-S615 WeakPolarHBondContact CA-OG 3.42Å; Y612-S615 PolarHBondContact O-OG 2.97Å; Y612-F616 WeakPolarHBondContact O-CB 3.42Å; Y612-F616 PolarHBondContact O-N 3.34Å |
| 613 | A | 34.1 | Very low | 36.4 | Very low | 17 Ų | 17 | 50.1 Ų | 50.1 | 14% | 0.14 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -71.1 | -36.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y590 L611 F616 I617 | Y590-A613 HydrophobicContact CD1-CB 4.31Å; Y590-A613 HydrophobicContact CD2-CB 3.35Å; Y590-A613 HydrophobicContact CE1-CB 4.3Å; Y590-A613 HydrophobicContact CE2-CB 3.43Å; Y590-A613 VanDerWaalsContact CE2-CB 3.43Å; Y590-A613 HydrophobicContact CG-CB 3.86Å; L611-A613 VanDerWaalsContact C-N 3.26Å; L611-A613 PolarHBondContact O-N 3.32Å; A613-F616 PolarHBondContact O-N 2.9Å; A613-I617 WeakPolarHBondContact O-CB 3.42Å; A613-I617 WeakPolarHBondContact O-CD1 3.25Å; A613-I617 WeakPolarHBondContact O-CG1 3.33Å; A613-I617 PolarHBondContact O-N 3.49Å |
| 614 | L | 38.3 | Very low | 35.8 | Very low | 17 Ų | 17 | 40 Ų | 40 | 9% | 0.089 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -73.6 | -36.9 | 177 | -150.8 | 86.7 | 0 | 0 | 0 | 111 | L611 F616 I618 F859 L886 | L611-L614 HydrophobicContact CB-CB 4.15Å; L611-L614 HydrophobicContact CD2-CB 3.56Å; L611-L614 HydrophobicContact CD2-CD2 3.62Å; L611-L614 HydrophobicContact CD2-CG 4.11Å; L611-L614 HydrophobicContact CG-CB 4.48Å; L611-L614 PolarHBondContact O-N 3.35Å; L614-F616 VanDerWaalsContact C-N 3.34Å; L614-I618 HydrophobicContact CD2-CD1 3.8Å; L614-I618 HydrophobicContact CG-CD1 3.74Å; L614-I618 HydrophobicContact CG-CG1 4.42Å; L614-I618 WeakPolarHBondContact O-CB 2.94Å; L614-I618 WeakPolarHBondContact O-CG1 3.44Å; L614-I618 PolarHBondContact O-N 3.06Å; L614-F859 HydrophobicContact CD1-CB 3.61Å; L614-F859 HydrophobicContact CD1-CD1 3.66Å; L614-F859 HydrophobicContact CD1-CD2 3.6Å; L614-F859 HydrophobicContact CD1-CE1 4.21Å; L614-F859 HydrophobicContact CD1-CE2 4.16Å; L614-F859 HydrophobicContact CD1-CG 3.31Å; L614-F859 HydrophobicContact CD1-CZ 4.44Å; L614-F859 HydrophobicContact CD2-CD1 3.68Å; L614-F859 HydrophobicContact CD2-CE1 3.8Å; L614-F859 HydrophobicContact CD2-CG 4.25Å; L614-F859 HydrophobicContact CD2-CZ 4.45Å; L614-F859 HydrophobicContact CG-CD1 4.34Å; L614-F859 HydrophobicContact CG-CG 4.44Å; L614-L886 HydrophobicContact CD2-CB 4.36Å; L614-L886 HydrophobicContact CD2-CD1 4.22Å |
| 615 | S | 37.7 | Very low | 35.6 | Very low | 24 Ų | 24 | 35.3 Ų | 35.3 | 17% | 0.168 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.9 | -31.5 | 171.2 | 54.1 | 0 | 0 | 0 | 0 | 112.7 | L611 Y612 G619 | L611-S615 PolarHBondContact O-N 3.03Å; L611-S615 PolarHBondContact O-OG 3.45Å; Y612-S615 VanDerWaalsContact CA-OG 3.23Å; Y612-S615 WeakPolarHBondContact CA-OG 3.42Å; Y612-S615 PolarHBondContact O-OG 2.97Å; S615-G619 WeakPolarHBondContact O-CA 3.38Å; S615-G619 PolarHBondContact O-N 3.49Å |
| 616 | F | 38.5 | Very low | 35.4 | Very low | 14 Ų | 14 | 38.6 Ų | 38.6 | 6% | 0.061 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.9 | -53.5 | 171.9 | -173.4 | -75 | 0 | 0 | 0 | 110 | F499 F503 L583 Y612 A613 L614 I618 H620 | F499-F616 HydrophobicContact CE1-CZ 4.48Å; F499-F616 HydrophobicContact CZ-CE2 4.42Å; F499-F616 HydrophobicContact CZ-CZ 4.32Å; F503-F616 HydrophobicContact CE1-CB 4.39Å; F503-F616 AromaticContact CE1-CD2 3.57Å; F503-F616 HydrophobicContact CE1-CD2 3.57Å; F503-F616 HydrophobicContact CE1-CE2 4.32Å; F503-F616 HydrophobicContact CE1-CG 4.41Å; F503-F616 HydrophobicContact CE2-CD2 4.41Å; F503-F616 HydrophobicContact CE2-CE2 4.45Å; F503-F616 AromaticContact CZ-CD2 3.29Å; F503-F616 HydrophobicContact CZ-CD2 3.29Å; F503-F616 AromaticContact CZ-CE2 3.7Å; F503-F616 HydrophobicContact CZ-CE2 3.7Å; F503-F616 HydrophobicContact CZ-CG 4.21Å; L583-F616 HydrophobicContact CD1-CD1 4.4Å; L583-F616 HydrophobicContact CD1-CE1 3.74Å; L583-F616 HydrophobicContact CD2-CD1 3.44Å; L583-F616 VanDerWaalsContact CD2-CD1 3.44Å; L583-F616 HydrophobicContact CD2-CE1 3.18Å; L583-F616 HydrophobicContact CD2-CG 4.34Å; L583-F616 HydrophobicContact CD2-CZ 3.85Å; L583-F616 HydrophobicContact CG-CE1 4.01Å; Y612-F616 WeakPolarHBondContact O-CB 3.42Å; Y612-F616 PolarHBondContact O-N 3.34Å; A613-F616 PolarHBondContact O-N 2.9Å; L614-F616 VanDerWaalsContact C-N 3.34Å; F616-I618 PolarHBondContact O-N 3.02Å; F616-H620 WeakPolarHBondContact O-CB 3.37Å; F616-H620 PolarHBondContact O-N 3.41Å |
| 617 | I | 38 | Very low | 34.9 | Very low | 11 Ų | 11 | 43.2 Ų | 43.2 | 6% | 0.056 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.5 | -36.7 | -176.1 | -61.5 | 163.5 | 0 | 0 | 0 | 111.9 | A613 L621 A855 F975 L976 | A613-I617 WeakPolarHBondContact O-CB 3.42Å; A613-I617 WeakPolarHBondContact O-CD1 3.25Å; A613-I617 WeakPolarHBondContact O-CG1 3.33Å; A613-I617 PolarHBondContact O-N 3.49Å; I617-L621 PolarHBondContact O-N 2.66Å; I617-L621 VanDerWaalsContact O-N 3.07Å; I617-A855 HydrophobicContact CB-CB 4.33Å; I617-A855 HydrophobicContact CG2-CB 3.27Å; I617-F975 HydrophobicContact CG2-CE1 3.89Å; I617-F975 HydrophobicContact CG2-CZ 4.34Å; I617-L976 HydrophobicContact CD1-CD2 3.86Å; I617-L976 HydrophobicContact CG1-CD2 4.26Å |
| 618 | I | 38.5 | Very low | 34.7 | Very low | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -81.4 | -36.7 | 179.6 | -61.9 | 175.8 | 0 | 0 | 0 | 111.9 | L614 F616 H620 L621 C622 I856 L886 F890 W891 | L614-I618 HydrophobicContact CD2-CD1 3.8Å; L614-I618 HydrophobicContact CG-CD1 3.74Å; L614-I618 HydrophobicContact CG-CG1 4.42Å; L614-I618 WeakPolarHBondContact O-CB 2.94Å; L614-I618 WeakPolarHBondContact O-CG1 3.44Å; L614-I618 PolarHBondContact O-N 3.06Å; F616-I618 PolarHBondContact O-N 3.02Å; I618-H620 PolarHBondContact O-N 3.02Å; I618-L621 PolarHBondContact O-N 3.33Å; I618-C622 PolarHBondContact O-N 3.43Å; I618-I856 HydrophobicContact CD1-CG1 3.95Å; I618-I856 HydrophobicContact CG1-CG1 4.42Å; I618-L886 HydrophobicContact CD1-CD1 3.27Å; I618-L886 HydrophobicContact CD1-CD2 4.32Å; I618-L886 HydrophobicContact CD1-CG 4.41Å; I618-F890 HydrophobicContact CB-CE1 4.29Å; I618-F890 HydrophobicContact CB-CE2 4.32Å; I618-F890 HydrophobicContact CB-CZ 4.15Å; I618-F890 HydrophobicContact CG2-CD1 3.79Å; I618-F890 HydrophobicContact CG2-CE1 3.36Å; I618-F890 HydrophobicContact CG2-CE2 4.23Å; I618-F890 HydrophobicContact CG2-CG 4.4Å; I618-F890 HydrophobicContact CG2-CZ 3.61Å; I618-W891 HydrophobicContact CG2-CZ2 4.38Å |
| 619 | G | 37.8 | Very low | 34.6 | Very low | 12 Ų | 12 | 44.4 Ų | 44.4 | 12% | 0.124 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.1 | -32.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S615 C622 S623 | S615-G619 WeakPolarHBondContact O-CA 3.38Å; S615-G619 PolarHBondContact O-N 3.49Å; G619-C622 WeakPolarHBondContact O-CB 3.42Å; G619-C622 PolarHBondContact O-N 2.88Å; G619-S623 PolarHBondContact O-N 2.97Å; G619-S623 VanDerWaalsContact O-N 3.13Å |
| 620 | H | 40.4 | Very low | 34.2 | Very low | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.019 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -75.1 | -39.8 | 177.1 | -155.4 | 64.5 | 0 | 0 | 0 | 114 | F499 F616 I618 C622 S623 N624 E979 H983 | F499-H620 AromaticContact CD2-ND1 3.98Å; F499-H620 HydrophobicContact CE2-CB 4.31Å; F499-H620 AromaticContact CE2-ND1 3.24Å; F499-H620 WeakPolarHBondContact CE2-ND1 3.18Å; F499-H620 AromaticContact CZ-ND1 3.46Å; F499-H620 WeakPolarHBondContact CZ-ND1 3.46Å; F616-H620 WeakPolarHBondContact O-CB 3.37Å; F616-H620 PolarHBondContact O-N 3.41Å; I618-H620 PolarHBondContact O-N 3.02Å; H620-C622 PolarHBondContact O-N 2.94Å; H620-S623 CarbonylContact O-C 3.58Å; H620-S623 WeakPolarHBondContact O-CA 3.43Å; H620-S623 PolarHBondContact O-N 3.03Å; H620-N624 PolarHBondContact NE2-OD1 3.1Å; H620-N624 PolarHBondContact O-N 3.34Å; H620-E979 IonicContact CD2-OE1 3.32Å; H620-E979 IonicContact CD2-OE2 2.69Å; H620-E979 PolarHBondContact CD2-OE2 3.34Å; H620-E979 IonicContact NE2-OE2 2.66Å; H620-E979 PolarHBondContact NE2-OE2 2.64Å; H620-H983 AromaticContact CE1-CD2 3.64Å; H620-H983 AromaticContact CE1-CE1 3.35Å; H620-H983 PolarHBondContact CE1-CE1 3.34Å; H620-H983 AromaticContact CE1-NE2 2.73Å; H620-H983 PolarHBondContact CE1-NE2 3.43Å; H620-H983 AromaticContact ND1-CE1 3.94Å; H620-H983 AromaticContact ND1-NE2 3.44Å; H620-H983 PolarHBondContact ND1-NE2 2.86Å; H620-H983 AromaticContact NE2-NE2 3.33Å; H620-H983 PolarHBondContact NE2-NE2 3.42Å |
| 621 | L | 32.1 | Very low | 33.7 | Very low | 60 Ų | 60 | 53.7 Ų | 53.7 | 31% | 0.314 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -56.3 | -31.9 | 168.9 | -80.5 | 160.3 | 0 | 0 | 0 | 112.3 | I617 I618 P853 A855 F975 | I617-L621 PolarHBondContact O-N 2.66Å; I617-L621 VanDerWaalsContact O-N 3.07Å; I618-L621 PolarHBondContact O-N 3.33Å; L621-P853 HydrophobicContact CD1-CB 3.76Å; L621-P853 HydrophobicContact CD2-CB 4.48Å; L621-A855 HydrophobicContact CD1-CB 3.96Å; L621-F975 HydrophobicContact CD2-CZ 4.5Å |
| 622 | C | 32.6 | Very low | 32.9 | Very low | 75 Ų | 75 | 60.1 Ų | 60.1 | 51% | 0.507 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -74.9 | -33.3 | 171.8 | -68.1 | 0 | 0 | 0 | 0 | 113.1 | I618 G619 H620 G625 | I618-C622 PolarHBondContact O-N 3.43Å; G619-C622 WeakPolarHBondContact O-CB 3.42Å; G619-C622 PolarHBondContact O-N 2.88Å; H620-C622 PolarHBondContact O-N 2.94Å; C622-G625 PolarHBondContact O-N 3.12Å |
| 623 | S | 32 | Very low | 32.3 | Very low | 18 Ų | 18 | 64.1 Ų | 64.1 | 13% | 0.126 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -78 | -22 | 179.3 | -174.1 | 0 | 0 | 0 | 0 | 114.4 | G619 H620 G625 K626 | G619-S623 PolarHBondContact O-N 2.97Å; G619-S623 VanDerWaalsContact O-N 3.13Å; H620-S623 CarbonylContact O-C 3.58Å; H620-S623 WeakPolarHBondContact O-CA 3.43Å; H620-S623 PolarHBondContact O-N 3.03Å; S623-G625 PolarHBondContact O-N 2.73Å; S623-G625 VanDerWaalsContact O-N 3.08Å; S623-K626 PolarHBondContact O-N 3.09Å |
| 624 | N | 29.8 | Very low | 32 | Very low | 52 Ų | 52 | 69.2 Ų | 69.2 | 28% | 0.278 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -66.6 | -0.8 | 171 | -78.2 | -18.8 | 0 | 0 | 0 | 113.3 | H620 K626 E979 K982 | H620-N624 PolarHBondContact NE2-OD1 3.1Å; H620-N624 PolarHBondContact O-N 3.34Å; N624-K626 PolarHBondContact O-N 3.33Å; N624-K626 VanDerWaalsContact O-N 3.13Å; N624-E979 PolarHBondContact ND2-OE1 3.06Å; N624-K982 PolarHBondContact OD1-NZ 3.29Å |
| 625 | G | 30.1 | Very low | 31.5 | Very low | 16 Ų | 16 | 76.4 Ų | 76.4 | 17% | 0.165 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -69.3 | 11 | 166.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | C622 S623 E627 I628 | C622-G625 PolarHBondContact O-N 3.12Å; S623-G625 PolarHBondContact O-N 2.73Å; S623-G625 VanDerWaalsContact O-N 3.08Å; G625-E627 VanDerWaalsContact C-N 3.31Å; G625-E627 PolarHBondContact O-N 3.18Å; G625-I628 PolarHBondContact O-N 3.37Å; G625-I628 VanDerWaalsContact O-N 3.15Å |
| 626 | K | 27.8 | Very low | 30.9 | Very low | 124 Ų | 124 | 81.4 Ų | 81.4 | 54% | 0.539 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -66.8 | -22.6 | 179.9 | -83 | -176.7 | 175.6 | -176.4 | 0 | 114.7 | S623 N624 | S623-K626 PolarHBondContact O-N 3.09Å; N624-K626 PolarHBondContact O-N 3.33Å; N624-K626 VanDerWaalsContact O-N 3.13Å |
| 627 | E | 28.4 | Very low | 30.5 | Very low | 182 Ų | 182 | 84.8 Ų | 84.8 | 85% | 0.85 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -92.2 | -11.2 | 171.1 | -91.5 | -176.9 | 157.1 | 0 | 0 | 113.7 | G625 | G625-E627 VanDerWaalsContact C-N 3.31Å; G625-E627 PolarHBondContact O-N 3.18Å |
| 628 | I | 31.3 | Very low | 30 | Very low | 66 Ų | 66 | 89.9 Ų | 89.9 | 34% | 0.338 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -22.6 | -164.8 | -59.3 | -176.8 | 0 | 0 | 0 | 112 | G625 T655 | G625-I628 PolarHBondContact O-N 3.37Å; G625-I628 VanDerWaalsContact O-N 3.15Å; I628-T655 HydrophobicContact CB-CG2 3.88Å; I628-T655 HydrophobicContact CD1-CG2 3.84Å; I628-T655 HydrophobicContact CG1-CG2 3.55Å; I628-T655 HydrophobicContact CG2-CG2 3.41Å; I628-T655 VanDerWaalsContact CG2-CG2 3.41Å |
| 629 | V | 28.8 | Very low | 29.4 | Very low | 75 Ų | 75 | 92.9 Ų | 92.9 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -87.8 | -19.8 | -170.8 | -179.1 | 0 | 0 | 0 | 0 | 113.1 | ||
| 630 | S | 26.1 | Very low | 28.7 | Very low | 83 Ų | 83 | 101.2 Ų | 101.2 | 58% | 0.58 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -102.3 | -21 | -158.4 | -174.7 | 0 | 0 | 0 | 0 | 118.2 | ||
| 631 | H | 26.3 | Very low | 28.2 | Very low | 165 Ų | 165 | 106.3 Ų | 106.3 | 76% | 0.764 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -141.9 | -5.6 | -160.5 | -139.2 | -70.3 | 0 | 0 | 0 | 120.5 | ||
| 632 | R | 24.2 | Very low | 28.5 | Very low | 159 Ų | 159 | 109.2 Ų | 109.2 | 60% | 0.6 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -118.3 | -20.5 | -175.5 | -137.1 | 167.7 | -162.3 | 155.2 | 3.5 | 116.9 | H653 | R632-H653 PolarHBondContact NH1-CE1 3.28Š|
| 633 | F | 26.3 | Very low | 28.3 | Very low | 168 Ų | 168 | 111 Ų | 111 | 74% | 0.737 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -76.9 | -24.3 | 177.7 | -153.1 | -96.7 | 0 | 0 | 0 | 113.4 | K635 S637 | F633-K635 VanDerWaalsContact C-N 3.26Å; F633-K635 PolarHBondContact O-N 3.24Å; F633-S637 PolarHBondContact O-OG 3.36Å |
| 634 | L | 27.2 | Very low | 27.9 | Very low | 125 Ų | 125 | 115.4 Ų | 115.4 | 65% | 0.654 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -72.7 | -11.7 | 176.9 | -88.1 | 158.1 | 0 | 0 | 0 | 114.1 | ||
| 635 | K | 26.8 | Very low | 27.7 | Very low | 167 Ų | 167 | 122.5 Ų | 122.5 | 73% | 0.726 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -105 | -25.5 | -174.6 | -141 | 176.8 | -176.9 | -179.9 | 0 | 114.6 | F633 | F633-K635 VanDerWaalsContact C-N 3.26Å; F633-K635 PolarHBondContact O-N 3.24Å |
| 636 | D | 27 | Very low | 27.5 | Very low | 130 Ų | 130 | 128.3 Ų | 128.3 | 70% | 0.695 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -102.1 | -7.1 | -172.7 | -66.8 | -17.9 | 0 | 0 | 0 | 114 | ||
| 637 | S | 29.1 | Very low | 27.4 | Very low | 84 Ų | 84 | 130.9 Ų | 130.9 | 59% | 0.587 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -93.8 | -3.2 | 178.1 | -55.8 | 0 | 0 | 0 | 0 | 114.3 | F633 | F633-S637 PolarHBondContact O-OG 3.36Š|
| 638 | T | 27.5 | Very low | 27.2 | Very low | 119 Ų | 119 | 130 Ų | 130 | 73% | 0.73 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -103.8 | 77.3 | 168 | 56.6 | 0 | 0 | 0 | 0 | 108.8 | ||
| 639 | G | 25.8 | Very low | 27 | Very low | 66 Ų | 66 | 135.9 Ų | 135.9 | 68% | 0.68 | 73% | 0.728 | S | S | * | * | trans | -104.2 | 118.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 640 | E | 23.6 | Very low | 26.8 | Very low | 188 Ų | 188 | 139.2 Ų | 139.2 | 88% | 0.879 | 74% | 0.743 | S | S | * | * | trans | -151 | 156.2 | 135.2 | -87.1 | -142.6 | 166.5 | 0 | 0 | 108.4 | ||||
| 641 | P | 30.2 | Very low | 26.9 | Very low | 110 Ų | 110 | 143.5 Ų | 143.5 | 71% | 0.714 | 75% | 0.754 | S | S | * | * | -106.8 | -180 | -85.5 | 6.5 | 18.9 | 0 | 0 | 0 | 113.1 | |||||
| 642 | P | 38.4 | Very low | 26.8 | Very low | 121 Ų | 121 | 142.5 Ų | 142.5 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | trans | -86.3 | 158.9 | -157 | 36.6 | -34.9 | 0 | 0 | 0 | 114.3 | ||||
| 643 | P | 28.6 | Very low | 26.8 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 74% | 0.74 | 75% | 0.75 | S | S | * | * | -146.3 | 161.2 | 107.2 | 34.9 | -17.7 | 0 | 0 | 0 | 116.2 | |||||
| 644 | S | 21.8 | Very low | 26.7 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | trans | 73.8 | 114.4 | 154.8 | 43.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 645 | F | 26 | Very low | 26.9 | Very low | 201 Ų | 201 | 133.3 Ų | 133.3 | 88% | 0.882 | 73% | 0.73 | S | S | * | * | trans | -7.4 | 131.9 | 148.9 | -83.4 | -100.1 | 0 | 0 | 0 | 117.1 | ||||
| 646 | V | 25.4 | Very low | 27 | Very low | 138 Ų | 138 | 133 Ų | 133 | 84% | 0.836 | 73% | 0.731 | S | S | * | * | -169.5 | 139.2 | 108.6 | 151.6 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 647 | K | 27.3 | Very low | 27.2 | Very low | 178 Ų | 178 | 130.1 Ų | 130.1 | 77% | 0.774 | 72% | 0.716 | S | S | * | * | trans | -39.7 | 139.5 | 173.4 | -64.2 | 161.8 | 173.6 | 173.2 | 0 | 115.1 | ||||
| 648 | N | 22.8 | Very low | 27.2 | Very low | 162 Ų | 162 | 128.7 Ų | 128.7 | 87% | 0.866 | 71% | 0.709 | S | S | * | * | -166 | 143.2 | 105.9 | -97.3 | -19.3 | 0 | 0 | 0 | 112.6 | |||||
| 649 | K | 28.3 | Very low | 27.3 | Very low | 190 Ų | 190 | 126.5 Ų | 126.5 | 83% | 0.826 | 70% | 0.697 | S | S | * | * | trans | -52.9 | 140 | 172.6 | -79.6 | 169.2 | 165.3 | 176.3 | 0 | 110.8 | ||||
| 650 | D | 23.8 | Very low | 27.5 | Very low | 145 Ų | 145 | 124.4 Ų | 124.4 | 78% | 0.775 | 67% | 0.673 | S | S | * | * | -163.3 | 145.7 | 115.4 | -89.1 | -26.6 | 0 | 0 | 0 | 111.9 | |||||
| 651 | Q | 28.3 | Very low | 27.7 | Very low | 174 Ų | 174 | 116.6 Ų | 116.6 | 81% | 0.813 | 64% | 0.636 | S | S | * | * | trans | -78 | 131.3 | -165.9 | -70.7 | 157.7 | -59.5 | 0 | 0 | 112.6 | ||||
| 652 | N | 24.8 | Very low | 27.7 | Very low | 144 Ų | 144 | 112.6 Ų | 112.6 | 77% | 0.77 | 61% | 0.611 | S | S | * | * | trans | 162.3 | 111.3 | 137 | -86.7 | -15 | 0 | 0 | 0 | 109.8 | ||||
| 653 | H | 24.3 | Very low | 27.3 | Very low | 111 Ų | 111 | 110 Ų | 110 | 51% | 0.514 | 59% | 0.589 | S | S | . | * | trans | -134.9 | 105.2 | -179.2 | -81.7 | -66.1 | 0 | 0 | 0 | 110.9 | R632 Q849 | R632-H653 PolarHBondContact NH1-CE1 3.28Å; H653-Q849 PolarHBondContact O-NE2 3.18Å; H653-Q849 VanDerWaalsContact O-NE2 3.1Å | ||
| 654 | S | 24.1 | Very low | 27.5 | Very low | 81 Ų | 81 | 104.8 Ų | 104.8 | 57% | 0.566 | 56% | 0.555 | S | S | * | * | trans | -151.2 | 82.9 | 167 | 59.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 655 | T | 31.2 | Very low | 28.2 | Very low | 66 Ų | 66 | 100.1 Ų | 100.1 | 41% | 0.405 | 52% | 0.522 | S | S | . | . | trans | -152.9 | 79.3 | -165.4 | 44.5 | 0 | 0 | 0 | 0 | 113.8 | I628 | I628-T655 HydrophobicContact CB-CG2 3.88Å; I628-T655 HydrophobicContact CD1-CG2 3.84Å; I628-T655 HydrophobicContact CG1-CG2 3.55Å; I628-T655 HydrophobicContact CG2-CG2 3.41Å; I628-T655 VanDerWaalsContact CG2-CG2 3.41Å | ||
| 656 | H | 28.8 | Very low | 28.5 | Very low | 161 Ų | 161 | 92.5 Ų | 92.5 | 75% | 0.745 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -138 | -8.2 | 171.3 | -78.5 | -65.1 | 0 | 0 | 0 | 117 | ||
| 657 | N | 31.6 | Very low | 29 | Very low | 69 Ų | 69 | 86.9 Ų | 86.9 | 37% | 0.369 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -101.3 | -31.1 | -163.1 | -65.4 | 2.9 | 0 | 0 | 0 | 117 | P659 S843 | N657-P659 VanDerWaalsContact C-CD 3.5Å; N657-S843 PolarHBondContact ND2-O 3.29Å |
| 658 | A | 28.9 | Very low | 29.4 | Very low | 54 Ų | 54 | 78.9 Ų | 78.9 | 45% | 0.446 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -72.2 | -33 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | A660 F661 | A658-A660 VanDerWaalsContact C-N 3.34Å; A658-A660 PolarHBondContact O-N 2.92Å; A658-F661 PolarHBondContact O-N 2.92Å |
| 659 | P | 28.4 | Very low | 29.8 | Very low | 74 Ų | 74 | 74.3 Ų | 74.3 | 48% | 0.481 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65 | -34.3 | -175.9 | -22 | 32.3 | 0 | 0 | 0 | 113.9 | N657 F661 M663 | N657-P659 VanDerWaalsContact C-CD 3.5Å; P659-F661 PolarHBondContact O-N 3.13Å; P659-M663 VanDerWaalsContact O-CB 3.28Å; P659-M663 WeakPolarHBondContact O-CB 3.03Å; P659-M663 PolarHBondContact O-N 3.05Å |
| 660 | A | 30.1 | Very low | 30 | Very low | 22 Ų | 22 | 66.8 Ų | 66.8 | 18% | 0.182 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.3 | -38.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A658 T664 N839 | A658-A660 VanDerWaalsContact C-N 3.34Å; A658-A660 PolarHBondContact O-N 2.92Å; A660-T664 WeakPolarHBondContact O-CB 3.2Å; A660-T664 PolarHBondContact O-N 2.96Å; A660-T664 VanDerWaalsContact O-N 3.1Å; A660-T664 PolarHBondContact O-OG1 3.21Å; A660-N839 HydrophobicContact CB-CB 4.33Å |
| 661 | F | 29.3 | Very low | 30.6 | Very low | 23 Ų | 23 | 61.3 Ų | 61.3 | 10% | 0.101 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.3 | -48.1 | -177 | -161.5 | -84.3 | 0 | 0 | 0 | 111.8 | A658 P659 T664 L665 L840 I894 L895 F902 | A658-F661 PolarHBondContact O-N 2.92Å; P659-F661 PolarHBondContact O-N 3.13Å; F661-T664 PolarHBondContact O-N 2.93Å; F661-L665 HydrophobicContact CD1-CD1 3.52Å; F661-L665 HydrophobicContact CE1-CD1 3.24Å; F661-L665 HydrophobicContact CZ-CD1 4.07Å; F661-L665 PolarHBondContact O-N 2.6Å; F661-L840 HydrophobicContact CB-CD1 4.28Å; F661-L840 HydrophobicContact CD2-CD1 3.09Å; F661-L840 HydrophobicContact CD2-CG 4.41Å; F661-L840 HydrophobicContact CE2-CD1 3.61Å; F661-L840 HydrophobicContact CG-CD1 4.02Å; F661-I894 HydrophobicContact CE1-CG2 4.24Å; F661-I894 HydrophobicContact CE2-CG2 3.99Å; F661-I894 HydrophobicContact CZ-CG2 3.55Å; F661-L895 HydrophobicContact CE2-CD2 3.92Å; F661-L895 HydrophobicContact CZ-CD2 4.45Å; F661-F902 AromaticContact CD1-CE2 3.48Å; F661-F902 HydrophobicContact CD1-CE2 3.48Å; F661-F902 VanDerWaalsContact CD1-CE2 3.48Å; F661-F902 AromaticContact CD1-CZ 3.71Å; F661-F902 HydrophobicContact CD1-CZ 3.71Å; F661-F902 AromaticContact CE1-CE2 3.61Å; F661-F902 HydrophobicContact CE1-CE2 3.61Å; F661-F902 HydrophobicContact CE1-CZ 4.27Å |
| 662 | S | 29.9 | Very low | 30.8 | Very low | 27 Ų | 27 | 55 Ų | 55 | 19% | 0.189 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 177.8 | 178.7 | 0 | 0 | 0 | 0 | 112.2 | T664 L665 S666 | S662-T664 VanDerWaalsContact C-N 3.35Å; S662-T664 PolarHBondContact O-N 3.48Å; S662-L665 PolarHBondContact O-N 2.99Å; S662-S666 PolarHBondContact O-N 2.8Å; S662-S666 PolarHBondContact O-OG 3.41Å |
| 663 | M | 30.6 | Very low | 31.2 | Very low | 65 Ų | 65 | 49.4 Ų | 49.4 | 32% | 0.32 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.9 | -38 | 179.7 | -164.4 | 173.5 | -61.6 | 0 | 0 | 112.5 | V489 P659 L667 Y836 | V489-M663 HydrophobicContact CB-CE 4.45Å; V489-M663 HydrophobicContact CG1-CE 3.89Å; V489-M663 HydrophobicContact CG2-CE 3.61Å; V489-M663 HydrophobicContact CG2-CG 4.23Å; V489-M663 HydrophobicContact CG2-SD 3.93Å; P659-M663 VanDerWaalsContact O-CB 3.28Å; P659-M663 WeakPolarHBondContact O-CB 3.03Å; P659-M663 PolarHBondContact O-N 3.05Å; M663-L667 HydrophobicContact CG-CD1 4.23Å; M663-L667 WeakPolarHBondContact O-CB 3.38Å; M663-L667 WeakPolarHBondContact O-CD1 3.44Å; M663-L667 WeakPolarHBondContact O-CG 3.49Å; M663-L667 PolarHBondContact O-N 3.4Å; M663-Y836 HydrophobicContact CG-CD1 4.36Å; M663-Y836 HydrophobicContact CG-CE1 3.97Å; M663-Y836 HydrophobicContact SD-CE1 3.99Å |
| 664 | T | 32.6 | Very low | 31.6 | Very low | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 176 | -53.8 | 0 | 0 | 0 | 0 | 111.6 | A660 F661 S662 L668 Y836 L840 | A660-T664 WeakPolarHBondContact O-CB 3.2Å; A660-T664 PolarHBondContact O-N 2.96Å; A660-T664 VanDerWaalsContact O-N 3.1Å; A660-T664 PolarHBondContact O-OG1 3.21Å; F661-T664 PolarHBondContact O-N 2.93Å; S662-T664 VanDerWaalsContact C-N 3.35Å; S662-T664 PolarHBondContact O-N 3.48Å; T664-L668 HydrophobicContact CG2-CD1 4Å; T664-L668 WeakPolarHBondContact O-CB 3.4Å; T664-L668 WeakPolarHBondContact O-CD1 3.41Å; T664-L668 WeakPolarHBondContact O-CG 3.27Å; T664-L668 PolarHBondContact O-N 3.46Å; T664-Y836 WeakPolarHBondContact OG1-CB 3.38Å; T664-Y836 PolarHBondContact OG1-O 2.81Å; T664-L840 HydrophobicContact CG2-CD2 4.28Å |
| 665 | L | 35.4 | Very low | 32 | Very low | 12 Ų | 12 | 51.2 Ų | 51.2 | 6% | 0.063 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.7 | -45.4 | 179 | -89.8 | 150.6 | 0 | 0 | 0 | 112.6 | F661 S662 L667 L668 M669 P898 F902 M904 L914 | F661-L665 HydrophobicContact CD1-CD1 3.52Å; F661-L665 HydrophobicContact CE1-CD1 3.24Å; F661-L665 HydrophobicContact CZ-CD1 4.07Å; F661-L665 PolarHBondContact O-N 2.6Å; S662-L665 PolarHBondContact O-N 2.99Å; L665-L667 VanDerWaalsContact C-N 3.25Å; L665-L667 PolarHBondContact O-N 2.89Å; L665-L668 PolarHBondContact O-N 3.08Å; L665-M669 WeakPolarHBondContact O-CG 3.18Å; L665-M669 PolarHBondContact O-N 2.74Å; L665-P898 HydrophobicContact CD1-CB 3.57Å; L665-P898 HydrophobicContact CD2-CB 3.41Å; L665-P898 VanDerWaalsContact CD2-CB 3.41Å; L665-P898 HydrophobicContact CD2-CG 3.53Å; L665-P898 HydrophobicContact CG-CB 4.15Å; L665-F902 HydrophobicContact CD1-CD2 3.94Å; L665-F902 HydrophobicContact CD1-CE2 3.51Å; L665-M904 HydrophobicContact CD2-CE 4.07Å; L665-M904 HydrophobicContact CD2-SD 4.06Å; L665-L914 HydrophobicContact CD2-CD2 4.43Å |
| 666 | S | 32.7 | Very low | 32.3 | Very low | 42 Ų | 42 | 51 Ų | 51 | 29% | 0.294 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.2 | -36.2 | 176.2 | -63.5 | 0 | 0 | 0 | 0 | 112.4 | S662 M669 V670 | S662-S666 PolarHBondContact O-N 2.8Å; S662-S666 PolarHBondContact O-OG 3.41Å; S666-M669 PolarHBondContact O-N 3.1Å; S666-V670 WeakPolarHBondContact O-CG2 3.42Å; S666-V670 PolarHBondContact O-N 2.99Å; S666-V670 VanDerWaalsContact O-N 3.16Å |
| 667 | L | 36.4 | Very low | 32.5 | Very low | 20 Ų | 20 | 45.1 Ų | 45.1 | 11% | 0.105 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -78.4 | -32.5 | 177.1 | -76.3 | 162 | 0 | 0 | 0 | 113.7 | A485 M663 L665 M669 V670 S671 Y836 | A485-L667 HydrophobicContact CB-CD1 4.5Å; A485-L667 HydrophobicContact CB-CD2 3.87Å; M663-L667 HydrophobicContact CG-CD1 4.23Å; M663-L667 WeakPolarHBondContact O-CB 3.38Å; M663-L667 WeakPolarHBondContact O-CD1 3.44Å; M663-L667 WeakPolarHBondContact O-CG 3.49Å; M663-L667 PolarHBondContact O-N 3.4Å; L665-L667 VanDerWaalsContact C-N 3.25Å; L665-L667 PolarHBondContact O-N 2.89Å; L667-M669 VanDerWaalsContact C-N 3.27Å; L667-M669 PolarHBondContact O-N 2.92Å; L667-V670 PolarHBondContact O-N 3.13Å; L667-S671 PolarHBondContact O-N 3.43Å; L667-Y836 HydrophobicContact CD1-CD1 3.89Å; L667-Y836 HydrophobicContact CD1-CD2 4.13Å; L667-Y836 HydrophobicContact CD1-CE1 3.34Å; L667-Y836 HydrophobicContact CD1-CE2 3.62Å; L667-Y836 HydrophobicContact CD1-CG 4.25Å; L667-Y836 WeakPolarHBondContact CD1-OH 3.3Å |
| 668 | L | 34.8 | Very low | 32.5 | Very low | 9 Ų | 9 | 48.7 Ų | 48.7 | 5% | 0.047 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.4 | -37.4 | 169.5 | -79.3 | 160.1 | 0 | 0 | 0 | 111.1 | T664 L665 V670 S671 D672 L910 C913 L914 I917 | T664-L668 HydrophobicContact CG2-CD1 4Å; T664-L668 WeakPolarHBondContact O-CB 3.4Å; T664-L668 WeakPolarHBondContact O-CD1 3.41Å; T664-L668 WeakPolarHBondContact O-CG 3.27Å; T664-L668 PolarHBondContact O-N 3.46Å; L665-L668 PolarHBondContact O-N 3.08Å; L668-V670 VanDerWaalsContact C-N 3.34Å; L668-S671 PolarHBondContact O-N 3.15Å; L668-D672 PolarHBondContact O-N 2.9Å; L668-D672 VanDerWaalsContact O-N 3.17Å; L668-L910 HydrophobicContact CB-CD1 3.83Å; L668-C913 HydrophobicContact CD2-CB 4.35Å; L668-L914 HydrophobicContact CD1-CD2 3.87Å; L668-I917 HydrophobicContact CD1-CD1 3.96Å; L668-I917 HydrophobicContact CD2-CD1 4.07Å |
| 669 | M | 31.3 | Very low | 32.8 | Very low | 67 Ų | 67 | 50.8 Ų | 50.8 | 33% | 0.33 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.9 | -31.7 | 172.7 | -62.2 | -68.3 | -83.3 | 0 | 0 | 112.7 | L665 S666 L667 D672 M904 L910 | L665-M669 WeakPolarHBondContact O-CG 3.18Å; L665-M669 PolarHBondContact O-N 2.74Å; S666-M669 PolarHBondContact O-N 3.1Å; L667-M669 VanDerWaalsContact C-N 3.27Å; L667-M669 PolarHBondContact O-N 2.92Å; M669-D672 WeakPolarHBondContact O-CB 3.42Å; M669-M904 HydrophobicContact CE-CE 4Å; M669-M904 HydrophobicContact CG-CE 4.21Å; M669-M904 HydrophobicContact SD-CE 3.64Å; M669-L910 HydrophobicContact SD-CD1 4.11Å; M669-L910 HydrophobicContact SD-CD2 3.41Å; M669-L910 WeakPolarHBondContact SD-CD2 3.34Å; M669-L910 HydrophobicContact SD-CG 4.29Å |
| 670 | V | 33 | Very low | 32.9 | Very low | 31 Ų | 31 | 50.7 Ų | 50.7 | 19% | 0.188 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -73.8 | -34.9 | 172.4 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | S666 L667 L668 D672 A673 | S666-V670 WeakPolarHBondContact O-CG2 3.42Å; S666-V670 PolarHBondContact O-N 2.99Å; S666-V670 VanDerWaalsContact O-N 3.16Å; L667-V670 PolarHBondContact O-N 3.13Å; L668-V670 VanDerWaalsContact C-N 3.34Å; V670-D672 VanDerWaalsContact C-N 3.27Å; V670-D672 PolarHBondContact O-N 3.17Å; V670-A673 WeakPolarHBondContact O-CB 3.47Å; V670-A673 PolarHBondContact O-N 2.9Å; V670-A673 VanDerWaalsContact O-N 3.15Å |
| 671 | S | 35.5 | Very low | 33.5 | Very low | 31 Ų | 31 | 53.2 Ų | 53.2 | 22% | 0.217 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.9 | -24.8 | 175.1 | -174.8 | 0 | 0 | 0 | 0 | 113.3 | L667 L668 A673 V674 | L667-S671 PolarHBondContact O-N 3.43Å; L668-S671 PolarHBondContact O-N 3.15Å; S671-A673 PolarHBondContact O-N 3.09Å; S671-V674 PolarHBondContact O-N 3.26Å |
| 672 | D | 33.6 | Very low | 34 | Very low | 40 Ų | 40 | 55.9 Ų | 55.9 | 21% | 0.214 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -22 | 172.2 | -93.7 | 9.6 | 0 | 0 | 0 | 112.1 | L668 M669 V670 V674 T907 H909 | L668-D672 PolarHBondContact O-N 2.9Å; L668-D672 VanDerWaalsContact O-N 3.17Å; M669-D672 WeakPolarHBondContact O-CB 3.42Å; V670-D672 VanDerWaalsContact C-N 3.27Å; V670-D672 PolarHBondContact O-N 3.17Å; D672-V674 VanDerWaalsContact C-N 3.33Å; D672-V674 PolarHBondContact O-N 3.31Å; D672-T907 PolarHBondContact OD2-OG1 3.21Å; D672-H909 IonicContact OD1-CE1 2.79Å; D672-H909 IonicContact OD1-CG 2.63Å; D672-H909 IonicContact OD1-ND1 2.86Å; D672-H909 PolarHBondContact OD1-ND1 3.24Å |
| 673 | A | 33.3 | Very low | 34.6 | Very low | 28 Ų | 28 | 59.6 Ų | 59.6 | 23% | 0.231 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -14.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | V670 S671 K675 F707 P713 | V670-A673 WeakPolarHBondContact O-CB 3.47Å; V670-A673 PolarHBondContact O-N 2.9Å; V670-A673 VanDerWaalsContact O-N 3.15Å; S671-A673 PolarHBondContact O-N 3.09Å; A673-K675 PolarHBondContact O-N 3.04Å; A673-F707 WeakPolarHBondContact O-CZ 3.43Å; A673-P713 HydrophobicContact CB-CG 3.59Å |
| 674 | V | 32.4 | Very low | 35.3 | Very low | 81 Ų | 81 | 59.5 Ų | 59.5 | 49% | 0.491 | 33% | 0.328 | S | S | . | . | trans | -105.1 | 70.3 | -170.2 | -169.6 | 0 | 0 | 0 | 0 | 110.9 | S671 D672 V676 | S671-V674 PolarHBondContact O-N 3.26Å; D672-V674 VanDerWaalsContact C-N 3.33Å; D672-V674 PolarHBondContact O-N 3.31Å; V674-V676 HydrophobicContact CG1-CG2 3.8Å | ||
| 675 | K | 32.5 | Very low | 36.1 | Very low | 149 Ų | 149 | 64.5 Ų | 64.5 | 65% | 0.648 | 36% | 0.355 | S | S | * | . | trans | -89 | 96.8 | 159.8 | -85.7 | -175.7 | 179.6 | 174.1 | 0 | 109.2 | A673 | A673-K675 PolarHBondContact O-N 3.04Š| ||
| 676 | V | 37.6 | Very low | 36.8 | Very low | 61 Ų | 61 | 65.4 Ų | 65.4 | 37% | 0.37 | 36% | 0.361 | S | S | . | . | trans | -110.3 | 99.7 | 177.1 | 176.8 | 0 | 0 | 0 | 0 | 111 | V674 F681 K825 | V674-V676 HydrophobicContact CG1-CG2 3.8Å; V676-F681 HydrophobicContact CB-CE2 4.33Å; V676-F681 HydrophobicContact CG1-CE2 3.59Å; V676-F681 HydrophobicContact CG1-CZ 4.16Å; V676-F681 HydrophobicContact CG2-CE2 4Å; V676-F681 HydrophobicContact CG2-CZ 4.2Å; V676-K825 PolarHBondContact O-NZ 3.02Å | ||
| 677 | T | 31.8 | Very low | 37.6 | Very low | 37 Ų | 37 | 65.6 Ų | 65.6 | 23% | 0.227 | 36% | 0.36 | C | S | . | . | trans | -88.4 | 155.2 | 147.8 | 26.5 | 0 | 0 | 0 | 0 | 108.5 | F679 | T677-F679 PolarHBondContact O-N 2.87Š| ||
| 678 | Y | 33 | Very low | 38.4 | Very low | 145 Ų | 145 | 65 Ų | 65 | 57% | 0.569 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -57 | 91.6 | -174.1 | -75.2 | -97.6 | 0 | 0 | 0 | 112.3 | L816 | Y678-L816 HydrophobicContact CD1-CD2 4.04Å; Y678-L816 HydrophobicContact CD2-CD2 3.35Å; Y678-L816 HydrophobicContact CE1-CD2 4.01Å; Y678-L816 HydrophobicContact CE2-CD2 3.3Å; Y678-L816 HydrophobicContact CG-CD2 3.73Å |
| 679 | F | 34.5 | Very low | 39 | Very low | 98 Ų | 98 | 65.6 Ų | 65.6 | 43% | 0.43 | 36% | 0.361 | S | S | . | . | trans | -133 | 144.6 | 168.7 | -70.9 | -77.9 | 0 | 0 | 0 | 107.4 | T677 F681 L798 | T677-F679 PolarHBondContact O-N 2.87Å; F679-F681 HydrophobicContact CB-CE1 4.23Å; F679-F681 HydrophobicContact CB-CE2 4.35Å; F679-F681 HydrophobicContact CB-CZ 3.89Å; F679-F681 WeakPolarHBondContact O-CD2 3.32Å; F679-F681 WeakPolarHBondContact O-CE2 3.48Å; F679-F681 PolarHBondContact O-N 2.88Å; F679-L798 HydrophobicContact CE2-CB 4.34Å; F679-L798 HydrophobicContact CE2-CD2 4.45Å | ||
| 680 | G | 30.8 | Very low | 40 | Very low | 71 Ų | 71 | 63.7 Ų | 63.7 | 73% | 0.732 | 35% | 0.352 | S | S | * | . | trans | -75 | 110.7 | 177 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 681 | F | 42 | Very low | 40.6 | Very low | 75 Ų | 75 | 66.9 Ų | 66.9 | 33% | 0.329 | 36% | 0.361 | S | S | . | . | trans | -94.1 | 140.2 | 179.5 | -54.9 | -78.4 | 0 | 0 | 0 | 110.9 | V676 F679 I704 C706 | V676-F681 HydrophobicContact CB-CE2 4.33Å; V676-F681 HydrophobicContact CG1-CE2 3.59Å; V676-F681 HydrophobicContact CG1-CZ 4.16Å; V676-F681 HydrophobicContact CG2-CE2 4Å; V676-F681 HydrophobicContact CG2-CZ 4.2Å; F679-F681 HydrophobicContact CB-CE1 4.23Å; F679-F681 HydrophobicContact CB-CE2 4.35Å; F679-F681 HydrophobicContact CB-CZ 3.89Å; F679-F681 WeakPolarHBondContact O-CD2 3.32Å; F679-F681 WeakPolarHBondContact O-CE2 3.48Å; F679-F681 PolarHBondContact O-N 2.88Å; F681-I704 HydrophobicContact CB-CG2 4.43Å; F681-I704 HydrophobicContact CD1-CG2 3.97Å; F681-C706 WeakPolarHBondContact CD1-SG 3.07Å; F681-C706 WeakPolarHBondContact CE1-SG 3.46Å | ||
| 682 | T | 39.3 | Very low | 41 | Very low | 80 Ų | 80 | 69.6 Ų | 69.6 | 49% | 0.491 | 37% | 0.372 | S | S | . | . | trans | -133.9 | 133.1 | 171.6 | 58.2 | 0 | 0 | 0 | 0 | 110 | N705 | T682-N705 PolarHBondContact N-ND2 2.85Å; T682-N705 PolarHBondContact O-N 2.79Å; T682-N705 PolarHBondContact OG1-ND2 2.96Å | ||
| 683 | D | 44.1 | Very low | 41.9 | Very low | 105 Ų | 105 | 71.1 Ų | 71.1 | 56% | 0.561 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 132.8 | 173.9 | -70.4 | -14.1 | 0 | 0 | 0 | 110.8 | ||
| 684 | L | 45.1 | Very low | 42.2 | Very low | 62 Ų | 62 | 78.2 Ų | 78.2 | 33% | 0.325 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 130.5 | 174.5 | -63.7 | 167.6 | 0 | 0 | 0 | 109.1 | V686 K702 M703 N705 I762 | L684-V686 HydrophobicContact CB-CG2 4.29Å; L684-K702 CarbonylContact O-C 3.52Å; L684-K702 WeakPolarHBondContact O-CA 3.44Å; L684-M703 WeakPolarHBondContact CA-O 3.44Å; L684-M703 WeakPolarHBondContact CB-O 3.44Å; L684-M703 PolarHBondContact N-O 2.88Å; L684-M703 PolarHBondContact O-N 3.09Å; L684-N705 HydrophobicContact CD1-CB 3.94Å; L684-I762 HydrophobicContact CD1-CG2 4.17Å |
| 685 | N | 49.6 | Very low | 42.5 | Very low | 110 Ų | 110 | 79.1 Ų | 79.1 | 59% | 0.588 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 113.8 | 170.3 | -69.8 | -17.6 | 0 | 0 | 0 | 108.8 | K702 | N685-K702 WeakPolarHBondContact OD1-CG 3.2Å |
| 686 | V | 50.6 | Low | 43.2 | Very low | 32 Ų | 32 | 75.7 Ų | 75.7 | 19% | 0.194 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 128.1 | -176.5 | -178.1 | 0 | 0 | 0 | 0 | 110 | L684 V688 Q700 I701 M703 V772 | L684-V686 HydrophobicContact CB-CG2 4.29Å; V686-V688 HydrophobicContact CG1-CG2 4.49Å; V686-Q700 WeakPolarHBondContact O-CA 3.46Å; V686-I701 PolarHBondContact N-O 2.76Å; V686-I701 PolarHBondContact O-N 3.01Å; V686-M703 HydrophobicContact CB-CG 4.17Å; V686-M703 HydrophobicContact CB-SD 3.81Å; V686-M703 HydrophobicContact CG1-SD 4.05Å; V686-M703 HydrophobicContact CG2-CB 4.09Å; V686-M703 HydrophobicContact CG2-CG 3.94Å; V686-M703 HydrophobicContact CG2-SD 3.7Å; V686-V772 HydrophobicContact CG1-CG2 3.73Å |
| 687 | T | 48.3 | Very low | 43.6 | Very low | 46 Ų | 46 | 77.9 Ų | 77.9 | 28% | 0.282 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 119.1 | 173.6 | -50.6 | 0 | 0 | 0 | 0 | 109.8 | E699 V772 | T687-E699 CarbonylContact C-O 3.57Å; T687-E699 WeakPolarHBondContact CA-O 3.34Å; T687-V772 PolarHBondContact O-N 3.43Å; T687-V772 VanDerWaalsContact O-N 3.1Å |
| 688 | V | 52.7 | Low | 44.3 | Very low | 8 Ų | 8 | 79.3 Ų | 79.3 | 5% | 0.048 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 123.1 | 178 | 179.8 | 0 | 0 | 0 | 0 | 109.4 | V686 I690 S698 E699 I701 L774 | V686-V688 HydrophobicContact CG1-CG2 4.49Å; V688-I690 HydrophobicContact CG1-CG1 4.49Å; V688-S698 CarbonylContact O-C 3.42Å; V688-S698 WeakPolarHBondContact O-CA 3.47Å; V688-E699 PolarHBondContact N-O 2.85Å; V688-E699 PolarHBondContact O-N 3.11Å; V688-I701 HydrophobicContact CB-CD1 4.25Å; V688-I701 HydrophobicContact CG2-CD1 3.78Å; V688-I701 HydrophobicContact CG2-CG1 4.22Å; V688-L774 HydrophobicContact CG1-CD1 3.62Å |
| 689 | T | 48.6 | Very low | 45.1 | Very low | 20 Ų | 20 | 76.2 Ų | 76.2 | 12% | 0.123 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 118.7 | 176.8 | -55.1 | 0 | 0 | 0 | 0 | 110.8 | L697 S698 V772 L774 | T689-L697 CarbonylContact C-O 3.55Å; T689-L697 VanDerWaalsContact CA-O 3.25Å; T689-L697 WeakPolarHBondContact CA-O 3.14Å; T689-S698 WeakPolarHBondContact CB-OG 2.98Å; T689-S698 VanDerWaalsContact CG2-OG 3.29Å; T689-S698 WeakPolarHBondContact CG2-OG 3.46Å; T689-S698 PolarHBondContact OG1-OG 3.35Å; T689-V772 PolarHBondContact N-O 3.15Å; T689-L774 PolarHBondContact O-N 2.88Å; T689-L774 VanDerWaalsContact O-N 3.1Å |
| 690 | I | 51.5 | Low | 45.7 | Very low | 27 Ų | 27 | 78.1 Ų | 78.1 | 14% | 0.138 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 122.7 | 176.4 | -56.2 | 173.2 | 0 | 0 | 0 | 108.3 | V688 L692 S696 L697 F719 I722 L774 | V688-I690 HydrophobicContact CG1-CG1 4.49Å; I690-L692 HydrophobicContact CG2-CD1 4.12Å; I690-L692 HydrophobicContact CG2-CG 4.47Å; I690-S696 CarbonylContact O-C 3.59Å; I690-S696 WeakPolarHBondContact O-CA 3.36Å; I690-L697 PolarHBondContact N-O 2.76Å; I690-L697 PolarHBondContact O-N 3.48Å; I690-F719 HydrophobicContact CD1-CE2 4.05Å; I690-F719 HydrophobicContact CD1-CZ 3.98Å; I690-F719 HydrophobicContact CG1-CE2 4.49Å; I690-F719 HydrophobicContact CG1-CZ 4.32Å; I690-I722 HydrophobicContact CD1-CD1 4.15Å; I690-L774 HydrophobicContact CG1-CD1 3.96Å |
| 691 | R | 46.6 | Very low | 46.6 | Very low | 98 Ų | 98 | 75.6 Ų | 75.6 | 37% | 0.37 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 122.6 | 172.9 | -82.6 | -178.5 | 177.9 | 160.4 | -7.1 | 110.9 | T695 H775 | R691-T695 WeakPolarHBondContact CA-O 3.48Å; R691-H775 PolarHBondContact NH1-NE2 3.41Å |
| 692 | L | 44 | Very low | 46.7 | Very low | 88 Ų | 88 | 76.7 Ų | 76.7 | 46% | 0.461 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 95 | 174.2 | -86.5 | 148.8 | 0 | 0 | 0 | 107.8 | I690 D694 T695 Y723 | I690-L692 HydrophobicContact CG2-CD1 4.12Å; I690-L692 HydrophobicContact CG2-CG 4.47Å; L692-D694 PolarHBondContact O-N 2.87Å; L692-T695 PolarHBondContact N-O 2.04Å; L692-T695 PolarHBondContact O-N 3.26Å; L692-T695 PolarHBondContact O-OG1 2.83Å; L692-Y723 WeakPolarHBondContact CD1-OH 3.43Å; L692-Y723 WeakPolarHBondContact CD2-OH 3.25Å |
| 693 | G | 52.5 | Low | 46.9 | Very low | 72 Ų | 72 | 73.8 Ų | 73.8 | 74% | 0.742 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | -124.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T695 | G693-T695 VanDerWaalsContact C-N 3.34Š|
| 694 | D | 38.8 | Very low | 47.1 | Very low | 177 Ų | 177 | 71.5 Ų | 71.5 | 95% | 0.947 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -3.5 | -179.9 | -71 | -26.1 | 0 | 0 | 0 | 114.2 | L692 | L692-D694 PolarHBondContact O-N 2.87Š|
| 695 | T | 38.3 | Very low | 47 | Very low | 100 Ų | 100 | 69.3 Ų | 69.3 | 61% | 0.613 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105 | 135.6 | -179 | 57.4 | 0 | 0 | 0 | 0 | 111.6 | R691 L692 G693 | R691-T695 WeakPolarHBondContact CA-O 3.48Å; L692-T695 PolarHBondContact N-O 2.04Å; L692-T695 PolarHBondContact O-N 3.26Å; L692-T695 PolarHBondContact O-OG1 2.83Å; G693-T695 VanDerWaalsContact C-N 3.34Å |
| 696 | S | 47.1 | Very low | 46.6 | Very low | 77 Ų | 77 | 64.9 Ų | 64.9 | 54% | 0.538 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 120.5 | 177.5 | 63.2 | 0 | 0 | 0 | 0 | 111.3 | I690 | I690-S696 CarbonylContact O-C 3.59Å; I690-S696 WeakPolarHBondContact O-CA 3.36Å |
| 697 | L | 47.2 | Very low | 46.1 | Very low | 108 Ų | 108 | 65.8 Ų | 65.8 | 57% | 0.565 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 129.4 | 175.4 | -148.3 | 108.7 | 0 | 0 | 0 | 109 | T689 I690 E699 | T689-L697 CarbonylContact C-O 3.55Å; T689-L697 VanDerWaalsContact CA-O 3.25Å; T689-L697 WeakPolarHBondContact CA-O 3.14Å; I690-L697 PolarHBondContact N-O 2.76Å; I690-L697 PolarHBondContact O-N 3.48Å; L697-E699 HydrophobicContact CD2-CG 4.46Å |
| 698 | S | 46.8 | Very low | 45.7 | Very low | 67 Ų | 67 | 66.2 Ų | 66.2 | 47% | 0.469 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 129.9 | -179.9 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | V688 T689 | V688-S698 CarbonylContact O-C 3.42Å; V688-S698 WeakPolarHBondContact O-CA 3.47Å; T689-S698 WeakPolarHBondContact CB-OG 2.98Å; T689-S698 VanDerWaalsContact CG2-OG 3.29Å; T689-S698 WeakPolarHBondContact CG2-OG 3.46Å; T689-S698 PolarHBondContact OG1-OG 3.35Å |
| 699 | E | 49.1 | Very low | 45.2 | Very low | 80 Ų | 80 | 67.8 Ų | 67.8 | 37% | 0.374 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 150.7 | 178.2 | -73 | -156.2 | 144.1 | 0 | 0 | 112.6 | T687 V688 L697 K718 | T687-E699 CarbonylContact C-O 3.57Å; T687-E699 WeakPolarHBondContact CA-O 3.34Å; V688-E699 PolarHBondContact N-O 2.85Å; V688-E699 PolarHBondContact O-N 3.11Å; L697-E699 HydrophobicContact CD2-CG 4.46Å; E699-K718 IonicContact OE1-NZ 3.85Å; E699-K718 WeakPolarHBondContact OE2-CE 3.45Å; E699-K718 IonicContact OE2-NZ 2.67Å; E699-K718 PolarHBondContact OE2-NZ 3.43Å |
| 700 | Q | 45.9 | Very low | 44.8 | Very low | 137 Ų | 137 | 71 Ų | 71 | 64% | 0.64 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 131.7 | 173.9 | -75 | -168.8 | -14.7 | 0 | 0 | 112.2 | V686 | V686-Q700 WeakPolarHBondContact O-CA 3.46Å |
| 701 | I | 51.4 | Low | 44.1 | Very low | 19 Ų | 19 | 71.4 Ų | 71.4 | 10% | 0.097 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 133.1 | 177.4 | -53.9 | -175.6 | 0 | 0 | 0 | 108.8 | V686 V688 M703 F715 | V686-I701 PolarHBondContact N-O 2.76Å; V686-I701 PolarHBondContact O-N 3.01Å; V688-I701 HydrophobicContact CB-CD1 4.25Å; V688-I701 HydrophobicContact CG2-CD1 3.78Å; V688-I701 HydrophobicContact CG2-CG1 4.22Å; I701-M703 HydrophobicContact CG2-CG 4.31Å; I701-F715 HydrophobicContact CD1-CD2 4.37Å |
| 702 | K | 44 | Very low | 44 | Very low | 98 Ų | 98 | 67 Ų | 67 | 43% | 0.426 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 125.6 | 170.8 | -81.4 | -172.9 | 173.7 | -165.3 | 0 | 110 | L684 N685 | L684-K702 CarbonylContact O-C 3.52Å; L684-K702 WeakPolarHBondContact O-CA 3.44Å; N685-K702 WeakPolarHBondContact OD1-CG 3.2Å |
| 703 | M | 43.8 | Very low | 43.7 | Very low | 19 Ų | 19 | 64.8 Ų | 64.8 | 9% | 0.094 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 147.3 | -178.4 | -60.8 | -168.3 | 85.9 | 0 | 0 | 110.5 | L684 V686 I701 Q712 | L684-M703 WeakPolarHBondContact CA-O 3.44Å; L684-M703 WeakPolarHBondContact CB-O 3.44Å; L684-M703 PolarHBondContact N-O 2.88Å; L684-M703 PolarHBondContact O-N 3.09Å; V686-M703 HydrophobicContact CB-CG 4.17Å; V686-M703 HydrophobicContact CB-SD 3.81Å; V686-M703 HydrophobicContact CG1-SD 4.05Å; V686-M703 HydrophobicContact CG2-CB 4.09Å; V686-M703 HydrophobicContact CG2-CG 3.94Å; V686-M703 HydrophobicContact CG2-SD 3.7Å; I701-M703 HydrophobicContact CG2-CG 4.31Å; M703-Q712 VanDerWaalsContact CE-CD 3.42Å; M703-Q712 HydrophobicContact CE-CG 4.11Å; M703-Q712 VanDerWaalsContact CG-OE1 3.24Å |
| 704 | I | 48.2 | Very low | 43 | Very low | 56 Ų | 56 | 64.2 Ų | 64.2 | 29% | 0.287 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 137.2 | 175.8 | -61.7 | 169.1 | 0 | 0 | 0 | 109.8 | F681 C706 F707 Q712 | F681-I704 HydrophobicContact CB-CG2 4.43Å; F681-I704 HydrophobicContact CD1-CG2 3.97Å; I704-C706 PolarHBondContact O-N 3.45Å; I704-F707 HydrophobicContact CB-CD2 3.69Å; I704-F707 HydrophobicContact CB-CE2 4.07Å; I704-F707 HydrophobicContact CD1-CD2 4.34Å; I704-F707 HydrophobicContact CD1-CE2 3.87Å; I704-F707 HydrophobicContact CG2-CD2 3.85Å; I704-F707 HydrophobicContact CG2-CE2 4.08Å; I704-F707 PolarHBondContact O-N 3.12Å; I704-Q712 PolarHBondContact O-NE2 3.07Å |
| 705 | N | 42 | Very low | 43 | Very low | 17 Ų | 17 | 56.6 Ų | 56.6 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -16.7 | -171.2 | 67.4 | -5.5 | 0 | 0 | 0 | 117.3 | T682 L684 T763 | T682-N705 PolarHBondContact N-ND2 2.85Å; T682-N705 PolarHBondContact O-N 2.79Å; T682-N705 PolarHBondContact OG1-ND2 2.96Å; L684-N705 HydrophobicContact CD1-CB 3.94Å; N705-T763 HydrophobicContact CB-CG2 4.49Å |
| 706 | C | 40.6 | Very low | 43.2 | Very low | 16 Ų | 16 | 55.2 Ų | 55.2 | 11% | 0.108 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.6 | 20.4 | -173.1 | 49.4 | 0 | 0 | 0 | 0 | 113.8 | F681 I704 H797 | F681-C706 WeakPolarHBondContact CD1-SG 3.07Å; F681-C706 WeakPolarHBondContact CE1-SG 3.46Å; I704-C706 PolarHBondContact O-N 3.45Å; C706-H797 PolarHBondContact O-CE1 3Å; C706-H797 PolarHBondContact O-NE2 2.86Å |
| 707 | F | 39.9 | Very low | 42.7 | Very low | 52 Ų | 52 | 55.6 Ų | 55.6 | 23% | 0.228 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -95.7 | 138.6 | 169.2 | -85.4 | -100.7 | 0 | 0 | 0 | 111.3 | A673 I704 Q712 | A673-F707 WeakPolarHBondContact O-CZ 3.43Å; I704-F707 HydrophobicContact CB-CD2 3.69Å; I704-F707 HydrophobicContact CB-CE2 4.07Å; I704-F707 HydrophobicContact CD1-CD2 4.34Å; I704-F707 HydrophobicContact CD1-CE2 3.87Å; I704-F707 HydrophobicContact CG2-CD2 3.85Å; I704-F707 HydrophobicContact CG2-CE2 4.08Å; I704-F707 PolarHBondContact O-N 3.12Å; F707-Q712 HydrophobicContact CB-CG 3.72Å; F707-Q712 HydrophobicContact CD1-CG 4.46Å; F707-Q712 HydrophobicContact CG-CG 4.27Å |
| 708 | S | 41.4 | Very low | 42.4 | Very low | 54 Ų | 54 | 53.6 Ų | 53.6 | 38% | 0.378 | 29% | 0.287 | S | S | . | . | trans | -60.9 | 140.2 | 162.5 | 61.8 | 0 | 0 | 0 | 0 | 110.4 | Q710 G711 | S708-Q710 PolarHBondContact O-N 2.72Å; S708-Q710 VanDerWaalsContact O-N 3.15Å; S708-G711 PolarHBondContact O-N 2.97Å | ||
| 709 | I | 41.1 | Very low | 42.1 | Very low | 41 Ų | 41 | 51.5 Ų | 51.5 | 21% | 0.21 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -53.9 | -37.3 | -176.6 | -62.8 | 164.7 | 0 | 0 | 0 | 112.4 | G711 T732 F734 | I709-G711 VanDerWaalsContact C-N 3.3Å; I709-G711 PolarHBondContact O-N 2.8Å; I709-T732 HydrophobicContact CG2-CG2 4.23Å; I709-F734 HydrophobicContact CD1-CE2 3.71Å; I709-F734 HydrophobicContact CD1-CZ 3.61Å |
| 710 | Q | 40.6 | Very low | 41.6 | Very low | 87 Ų | 87 | 54.7 Ų | 54.7 | 41% | 0.407 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -73.6 | -15.6 | 178.2 | -72.9 | 179.3 | -33.3 | 0 | 0 | 114.5 | S708 H716 | S708-Q710 PolarHBondContact O-N 2.72Å; S708-Q710 VanDerWaalsContact O-N 3.15Å; Q710-H716 PolarHBondContact O-NE2 2.71Å |
| 711 | G | 37.5 | Very low | 41.2 | Very low | 36 Ų | 36 | 54 Ų | 54 | 37% | 0.371 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -102 | 8.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | S708 I709 P713 | S708-G711 PolarHBondContact O-N 2.97Å; I709-G711 VanDerWaalsContact C-N 3.3Å; I709-G711 PolarHBondContact O-N 2.8Å; G711-P713 WeakPolarHBondContact O-CD 3.27Å |
| 712 | Q | 44.5 | Very low | 40.4 | Very low | 6 Ų | 6 | 56.8 Ų | 56.8 | 3% | 0.028 | 29% | 0.289 | C | S | . | . | trans | -87.3 | 115.7 | -178.6 | -73.5 | -141.1 | -3.4 | 0 | 0 | 112.5 | M703 I704 F707 S714 F715 H716 | M703-Q712 VanDerWaalsContact CE-CD 3.42Å; M703-Q712 HydrophobicContact CE-CG 4.11Å; M703-Q712 VanDerWaalsContact CG-OE1 3.24Å; I704-Q712 PolarHBondContact O-NE2 3.07Å; F707-Q712 HydrophobicContact CB-CG 3.72Å; F707-Q712 HydrophobicContact CD1-CG 4.46Å; F707-Q712 HydrophobicContact CG-CG 4.27Å; Q712-S714 VanDerWaalsContact C-N 3.33Å; Q712-S714 PolarHBondContact O-N 3.49Å; Q712-F715 HydrophobicContact CB-CB 4.11Å; Q712-F715 PolarHBondContact O-N 2.94Å; Q712-H716 PolarHBondContact O-CD2 3Å; Q712-H716 PolarHBondContact O-N 3.48Å | ||
| 713 | P | 37.5 | Very low | 40.1 | Very low | 42 Ų | 42 | 56.9 Ų | 56.9 | 27% | 0.273 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.9 | -38.7 | -179.7 | -15 | 24.6 | 0 | 0 | 0 | 112.6 | A673 G711 F715 H716 L717 | A673-P713 HydrophobicContact CB-CG 3.59Å; G711-P713 WeakPolarHBondContact O-CD 3.27Å; P713-F715 PolarHBondContact O-N 3.22Å; P713-H716 PolarHBondContact O-N 3.5Å; P713-L717 HydrophobicContact CB-CD1 4.42Å; P713-L717 WeakPolarHBondContact O-CB 3.46Å; P713-L717 PolarHBondContact O-N 3.47Å |
| 714 | S | 37.2 | Very low | 39.6 | Very low | 60 Ų | 60 | 62.2 Ų | 62.2 | 42% | 0.42 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62 | -31.4 | 179.7 | -44 | 0 | 0 | 0 | 0 | 113 | Q712 | Q712-S714 VanDerWaalsContact C-N 3.33Å; Q712-S714 PolarHBondContact O-N 3.49Å |
| 715 | F | 39.5 | Very low | 39 | Very low | 16 Ų | 16 | 66.7 Ų | 66.7 | 7% | 0.07 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -76.6 | -45.7 | 176.6 | -173.9 | -97.1 | 0 | 0 | 0 | 110.7 | I701 Q712 P713 F719 | I701-F715 HydrophobicContact CD1-CD2 4.37Å; Q712-F715 HydrophobicContact CB-CB 4.11Å; Q712-F715 PolarHBondContact O-N 2.94Å; P713-F715 PolarHBondContact O-N 3.22Å; F715-F719 HydrophobicContact CE1-CD2 4.19Å; F715-F719 HydrophobicContact CE2-CD2 4.12Å; F715-F719 HydrophobicContact CE2-CE2 4.08Å; F715-F719 AromaticContact CZ-CD2 3.89Å; F715-F719 HydrophobicContact CZ-CD2 3.89Å; F715-F719 AromaticContact CZ-CE2 3.84Å; F715-F719 HydrophobicContact CZ-CE2 3.84Å; F715-F719 WeakPolarHBondContact O-CB 3.44Å; F715-F719 PolarHBondContact O-N 3.46Å; F715-F719 VanDerWaalsContact O-N 3.09Å |
| 716 | H | 41.6 | Very low | 38.8 | Very low | 71 Ų | 71 | 75.8 Ų | 75.8 | 33% | 0.329 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 176.8 | -85.2 | -85.2 | 0 | 0 | 0 | 113.5 | Q710 Q712 P713 K718 F719 R720 V727 | Q710-H716 PolarHBondContact O-NE2 2.71Å; Q712-H716 PolarHBondContact O-CD2 3Å; Q712-H716 PolarHBondContact O-N 3.48Å; P713-H716 PolarHBondContact O-N 3.5Å; H716-K718 PolarHBondContact O-N 2.85Å; H716-F719 PolarHBondContact O-N 2.96Å; H716-R720 WeakPolarHBondContact O-CB 3.49Å; H716-R720 PolarHBondContact O-N 2.84Å; H716-V727 VanDerWaalsContact CE1-CG1 3.49Å; H716-V727 WeakPolarHBondContact CE1-CG1 3.27Å |
| 717 | L | 37.1 | Very low | 38.7 | Very low | 85 Ų | 85 | 77.2 Ų | 77.2 | 45% | 0.445 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 179.9 | -89.9 | 148.9 | 0 | 0 | 0 | 111.8 | P713 | P713-L717 HydrophobicContact CB-CD1 4.42Å; P713-L717 WeakPolarHBondContact O-CB 3.46Å; P713-L717 PolarHBondContact O-N 3.47Å |
| 718 | K | 40.8 | Very low | 38.5 | Very low | 66 Ų | 66 | 79.8 Ų | 79.8 | 29% | 0.287 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -79.4 | -27 | -177.8 | -140 | 171.7 | -168.7 | -158.8 | 0 | 113.4 | E699 H716 I722 | E699-K718 IonicContact OE1-NZ 3.85Å; E699-K718 WeakPolarHBondContact OE2-CE 3.45Å; E699-K718 IonicContact OE2-NZ 2.67Å; E699-K718 PolarHBondContact OE2-NZ 3.43Å; H716-K718 PolarHBondContact O-N 2.85Å; K718-I722 WeakPolarHBondContact O-CG1 3.44Å |
| 719 | F | 39.9 | Very low | 38.4 | Very low | 24 Ų | 24 | 82.5 Ų | 82.5 | 11% | 0.105 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -75.1 | -34.8 | 173.7 | -116.7 | -89.6 | 0 | 0 | 0 | 112.9 | I690 F715 H716 E721 I722 Y723 I730 L774 | I690-F719 HydrophobicContact CD1-CE2 4.05Å; I690-F719 HydrophobicContact CD1-CZ 3.98Å; I690-F719 HydrophobicContact CG1-CE2 4.49Å; I690-F719 HydrophobicContact CG1-CZ 4.32Å; F715-F719 HydrophobicContact CE1-CD2 4.19Å; F715-F719 HydrophobicContact CE2-CD2 4.12Å; F715-F719 HydrophobicContact CE2-CE2 4.08Å; F715-F719 AromaticContact CZ-CD2 3.89Å; F715-F719 HydrophobicContact CZ-CD2 3.89Å; F715-F719 AromaticContact CZ-CE2 3.84Å; F715-F719 HydrophobicContact CZ-CE2 3.84Å; F715-F719 WeakPolarHBondContact O-CB 3.44Å; F715-F719 PolarHBondContact O-N 3.46Å; F715-F719 VanDerWaalsContact O-N 3.09Å; H716-F719 PolarHBondContact O-N 2.96Å; F719-E721 PolarHBondContact O-N 3.38Å; F719-I722 PolarHBondContact O-N 3.31Å; F719-I722 VanDerWaalsContact O-N 3.09Å; F719-Y723 PolarHBondContact O-N 2.92Å; F719-Y723 VanDerWaalsContact O-N 3.15Å; F719-I730 HydrophobicContact CD1-CD1 3.61Å; F719-I730 HydrophobicContact CE1-CD1 3.5Å; F719-I730 VanDerWaalsContact CE1-CD1 3.5Å; F719-I730 HydrophobicContact CG-CD1 4.49Å; F719-I730 HydrophobicContact CZ-CD1 4.3Å; F719-L774 HydrophobicContact CE2-CD1 3.87Å; F719-L774 HydrophobicContact CZ-CD1 3.84Å |
| 720 | R | 40.1 | Very low | 38.4 | Very low | 147 Ų | 147 | 83.2 Ų | 83.2 | 56% | 0.555 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -67.3 | -22.8 | 175.5 | -160.5 | 177 | -174.7 | -166.2 | -1.7 | 112.8 | H716 I722 D903 | H716-R720 WeakPolarHBondContact O-CB 3.49Å; H716-R720 PolarHBondContact O-N 2.84Å; R720-I722 VanDerWaalsContact C-N 3.33Å; R720-D903 PolarHBondContact NH1-O 3.44Å; R720-D903 PolarHBondContact NH2-O 3.43Å; R720-D903 IonicContact NH2-OD1 3.04Å; R720-D903 IonicContact NH2-OD2 2.75Å; R720-D903 PolarHBondContact NH2-OD2 3.13Å; R720-D903 VanDerWaalsContact NH2-OD2 3.08Å |
| 721 | E | 37.2 | Very low | 38.3 | Very low | 122 Ų | 122 | 81.4 Ų | 81.4 | 57% | 0.57 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -25.2 | 170.7 | -73.7 | 179.8 | 162.9 | 0 | 0 | 113.1 | F719 | F719-E721 PolarHBondContact O-N 3.38Š|
| 722 | I | 35.3 | Very low | 38.6 | Very low | 77 Ų | 77 | 80.9 Ų | 80.9 | 40% | 0.395 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -28.4 | -172.2 | -54.1 | 172.9 | 0 | 0 | 0 | 111.7 | I690 K718 F719 R720 | I690-I722 HydrophobicContact CD1-CD1 4.15Å; K718-I722 WeakPolarHBondContact O-CG1 3.44Å; F719-I722 PolarHBondContact O-N 3.31Å; F719-I722 VanDerWaalsContact O-N 3.09Å; R720-I722 VanDerWaalsContact C-N 3.33Å |
| 723 | Y | 35.8 | Very low | 38.6 | Very low | 101 Ų | 101 | 82 Ų | 82 | 40% | 0.396 | 41% | 0.41 | S | S | . | . | trans | -142.1 | 146.8 | -178.6 | -78.3 | -84.2 | 0 | 0 | 0 | 113.4 | L692 F719 | L692-Y723 WeakPolarHBondContact CD1-OH 3.43Å; L692-Y723 WeakPolarHBondContact CD2-OH 3.25Å; F719-Y723 PolarHBondContact O-N 2.92Å; F719-Y723 VanDerWaalsContact O-N 3.15Å | ||
| 724 | S | 34.2 | Very low | 39 | Very low | 131 Ų | 131 | 82.2 Ų | 82.2 | 92% | 0.916 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -86.6 | 3.5 | 174.2 | 57 | 0 | 0 | 0 | 0 | 114.6 | ||
| 725 | Q | 35.3 | Very low | 39.2 | Very low | 150 Ų | 150 | 81.9 Ų | 81.9 | 70% | 0.701 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -92.4 | 154.5 | -178.4 | -81.9 | -177.4 | -22 | 0 | 0 | 113.3 | ||
| 726 | R | 37.4 | Very low | 39.2 | Very low | 207 Ų | 207 | 83.5 Ų | 83.5 | 78% | 0.781 | 41% | 0.406 | S | S | * | . | trans | -66.4 | 137 | -179.7 | -69.6 | -176.7 | -179.8 | 178.1 | 0.6 | 111.1 | L728 | R726-L728 PolarHBondContact O-N 3.3Å; R726-L728 VanDerWaalsContact O-N 3.1Å | ||
| 727 | V | 38.1 | Very low | 38.8 | Very low | 46 Ų | 46 | 88.8 Ų | 88.8 | 28% | 0.279 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -65 | -14.2 | -177.1 | 177.6 | 0 | 0 | 0 | 0 | 113.9 | H716 D729 I730 | H716-V727 VanDerWaalsContact CE1-CG1 3.49Å; H716-V727 WeakPolarHBondContact CE1-CG1 3.27Å; V727-D729 PolarHBondContact O-N 3.24Å; V727-D729 VanDerWaalsContact O-N 3.15Å; V727-I730 PolarHBondContact O-N 3.22Å |
| 728 | L | 37.3 | Very low | 38.8 | Very low | 107 Ų | 107 | 87.8 Ų | 87.8 | 56% | 0.56 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -62.8 | -17.6 | -179.2 | -87.1 | 132.2 | 0 | 0 | 0 | 114.7 | R726 | R726-L728 PolarHBondContact O-N 3.3Å; R726-L728 VanDerWaalsContact O-N 3.1Å |
| 729 | D | 37.9 | Very low | 38.6 | Very low | 110 Ų | 110 | 93.6 Ų | 93.6 | 59% | 0.588 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -94.7 | 7.8 | -175 | -62 | -32.9 | 0 | 0 | 0 | 114.1 | V727 | V727-D729 PolarHBondContact O-N 3.24Å; V727-D729 VanDerWaalsContact O-N 3.15Å |
| 730 | I | 41.6 | Very low | 38.8 | Very low | 57 Ų | 57 | 96.4 Ų | 96.4 | 29% | 0.292 | 48% | 0.475 | S | S | . | . | trans | -105.7 | 118.9 | -170.3 | -56.1 | 176 | 0 | 0 | 0 | 111.9 | F719 V727 L774 | F719-I730 HydrophobicContact CD1-CD1 3.61Å; F719-I730 HydrophobicContact CE1-CD1 3.5Å; F719-I730 VanDerWaalsContact CE1-CD1 3.5Å; F719-I730 HydrophobicContact CG-CD1 4.49Å; F719-I730 HydrophobicContact CZ-CD1 4.3Å; V727-I730 PolarHBondContact O-N 3.22Å; I730-L774 HydrophobicContact CG2-CD2 3.44Å; I730-L774 VanDerWaalsContact CG2-CD2 3.44Å | ||
| 731 | C | 38.7 | Very low | 38.8 | Very low | 48 Ų | 48 | 94.7 Ų | 94.7 | 32% | 0.324 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 130.9 | 174.2 | -70.8 | 0 | 0 | 0 | 0 | 112 | ||
| 732 | T | 43.9 | Very low | 38.9 | Very low | 26 Ų | 26 | 93.6 Ų | 93.6 | 16% | 0.16 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 128.6 | -179.9 | 47 | 0 | 0 | 0 | 0 | 112 | I709 L774 | I709-T732 HydrophobicContact CG2-CG2 4.23Å; T732-L774 HydrophobicContact CG2-CD2 3.77Å |
| 733 | N | 43.9 | Very low | 39.3 | Very low | 30 Ų | 30 | 93.7 Ų | 93.7 | 16% | 0.16 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 140.5 | 173.5 | -61.5 | -49.5 | 0 | 0 | 0 | 110.7 | F741 S742 V772 K773 | N733-F741 CarbonylContact C-O 3.58Å; N733-F741 VanDerWaalsContact CA-O 3.32Å; N733-F741 WeakPolarHBondContact CA-O 3.41Å; N733-S742 VanDerWaalsContact OD1-CA 3.25Å; N733-S742 WeakPolarHBondContact OD1-CA 3.47Å; N733-S742 WeakPolarHBondContact OD1-CB 3.46Å; N733-V772 WeakPolarHBondContact O-CG1 3.32Å; N733-K773 WeakPolarHBondContact CB-O 3.33Å; N733-K773 PolarHBondContact N-O 3.45Å; N733-K773 PolarHBondContact O-N 3.38Å; N733-K773 VanDerWaalsContact O-O 3.12Å |
| 734 | F | 46.8 | Very low | 39.4 | Very low | 46 Ų | 46 | 92.6 Ų | 92.6 | 20% | 0.202 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 140.6 | 178.5 | -69.9 | -91.8 | 0 | 0 | 0 | 110.8 | I709 N740 F741 H743 F769 V772 | I709-F734 HydrophobicContact CD1-CE2 3.71Å; I709-F734 HydrophobicContact CD1-CZ 3.61Å; F734-N740 WeakPolarHBondContact O-CA 3.26Å; F734-F741 PolarHBondContact N-O 3.36Å; F734-F741 PolarHBondContact O-N 3.33Å; F734-H743 HydrophobicContact CD2-CB 3.8Å; F734-H743 HydrophobicContact CE2-CB 3.82Å; F734-F769 HydrophobicContact CD1-CD1 4.48Å; F734-V772 HydrophobicContact CD1-CG2 3.77Å; F734-V772 HydrophobicContact CE1-CG2 3.65Å |
| 735 | E | 40.3 | Very low | 39.4 | Very low | 53 Ų | 53 | 88.5 Ų | 88.5 | 25% | 0.248 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 119.8 | 175.9 | -168.3 | 169.3 | -158.2 | 0 | 0 | 110.3 | R739 G771 K773 | E735-R739 WeakPolarHBondContact CA-O 3.03Å; E735-G771 PolarHBondContact N-O 3.23Å; E735-G771 VanDerWaalsContact N-O 3.15Å; E735-K773 IonicContact OE1-NZ 3.02Å; E735-K773 PolarHBondContact OE1-NZ 3.42Å; E735-K773 WeakPolarHBondContact OE2-CD 3.41Å; E735-K773 WeakPolarHBondContact OE2-CE 3.44Å; E735-K773 IonicContact OE2-NZ 3.57Å; E735-K773 PolarHBondContact OE2-NZ 3.23Å |
| 736 | Q | 39.5 | Very low | 39.2 | Very low | 50 Ų | 50 | 83 Ų | 83 | 23% | 0.234 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 118.5 | 177.9 | -162.8 | -169.1 | -17.9 | 0 | 0 | 108.7 | G738 R739 F741 I767 | Q736-G738 VanDerWaalsContact C-N 3.26Å; Q736-G738 PolarHBondContact O-N 3.27Å; Q736-R739 PolarHBondContact N-O 3.16Å; Q736-R739 PolarHBondContact O-N 3.24Å; Q736-R739 VanDerWaalsContact O-N 3.08Å; Q736-F741 HydrophobicContact CB-CD2 4.25Å; Q736-F741 HydrophobicContact CB-CE2 4.14Å; Q736-I767 HydrophobicContact CG-CG2 4.31Å |
| 737 | F | 33.4 | Very low | 39.1 | Very low | 182 Ų | 182 | 74.9 Ų | 74.9 | 80% | 0.798 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 40.5 | -178.2 | -59.4 | -74 | 0 | 0 | 0 | 114.3 | R739 I767 | F737-R739 VanDerWaalsContact C-N 3.33Å; F737-R739 PolarHBondContact O-N 3.08Å; F737-I767 HydrophobicContact CE2-CG2 4.49Å |
| 738 | G | 38.3 | Very low | 38.8 | Very low | 63 Ų | 63 | 83.3 Ų | 83.3 | 65% | 0.649 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.8 | 10.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q736 | Q736-G738 VanDerWaalsContact C-N 3.26Å; Q736-G738 PolarHBondContact O-N 3.27Å |
| 739 | R | 35.1 | Very low | 38.7 | Very low | 189 Ų | 189 | 85.1 Ų | 85.1 | 71% | 0.713 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 137 | 169.2 | -65.5 | -171.5 | -170.9 | -170.6 | 3.3 | 110.8 | E735 Q736 F737 F741 | E735-R739 WeakPolarHBondContact CA-O 3.03Å; Q736-R739 PolarHBondContact N-O 3.16Å; Q736-R739 PolarHBondContact O-N 3.24Å; Q736-R739 VanDerWaalsContact O-N 3.08Å; F737-R739 VanDerWaalsContact C-N 3.33Å; F737-R739 PolarHBondContact O-N 3.08Å; R739-F741 HydrophobicContact CB-CE2 4Å; R739-F741 HydrophobicContact CB-CZ 4.47Å |
| 740 | N | 44.5 | Very low | 38.6 | Very low | 83 Ų | 83 | 81.4 Ų | 81.4 | 44% | 0.444 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 128.9 | 176.7 | -69.2 | -21.1 | 0 | 0 | 0 | 110.4 | F734 | F734-N740 WeakPolarHBondContact O-CA 3.26Å |
| 741 | F | 39.8 | Very low | 38.4 | Very low | 111 Ų | 111 | 86 Ų | 86 | 49% | 0.487 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 132 | 173.8 | -67.8 | -88.3 | 0 | 0 | 0 | 110.5 | N733 F734 Q736 R739 | N733-F741 CarbonylContact C-O 3.58Å; N733-F741 VanDerWaalsContact CA-O 3.32Å; N733-F741 WeakPolarHBondContact CA-O 3.41Å; F734-F741 PolarHBondContact N-O 3.36Å; F734-F741 PolarHBondContact O-N 3.33Å; Q736-F741 HydrophobicContact CB-CD2 4.25Å; Q736-F741 HydrophobicContact CB-CE2 4.14Å; R739-F741 HydrophobicContact CB-CE2 4Å; R739-F741 HydrophobicContact CB-CZ 4.47Å |
| 742 | S | 40.9 | Very low | 38.1 | Very low | 99 Ų | 99 | 90.3 Ų | 90.3 | 69% | 0.692 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 121 | 172.2 | -27 | 0 | 0 | 0 | 0 | 109.2 | N733 | N733-S742 VanDerWaalsContact OD1-CA 3.25Å; N733-S742 WeakPolarHBondContact OD1-CA 3.47Å; N733-S742 WeakPolarHBondContact OD1-CB 3.46Å |
| 743 | H | 43.6 | Very low | 37.4 | Very low | 79 Ų | 79 | 97 Ų | 97 | 37% | 0.366 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -100 | 127.2 | 178.1 | -158 | -73.4 | 0 | 0 | 0 | 110.9 | F734 | F734-H743 HydrophobicContact CD2-CB 3.8Å; F734-H743 HydrophobicContact CE2-CB 3.82Å |
| 744 | L | 37.5 | Very low | 36.8 | Very low | 78 Ų | 78 | 99.5 Ų | 99.5 | 41% | 0.408 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -102 | 147.6 | 173.2 | -75.7 | 155.8 | 0 | 0 | 0 | 109.3 | V746 T782 | L744-V746 PolarHBondContact O-N 3.03Å; L744-T782 WeakPolarHBondContact CD2-O 3.03Å |
| 745 | A | 34.6 | Very low | 36.2 | Very low | 45 Ų | 45 | 105.6 Ų | 105.6 | 37% | 0.372 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -57.3 | -20 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | V784 | A745-V784 HydrophobicContact CB-CB 4.21Å; A745-V784 HydrophobicContact CB-CG2 4.06Å |
| 746 | V | 31.1 | Very low | 35.6 | Very low | 35 Ų | 35 | 104.2 Ų | 104.2 | 21% | 0.212 | 53% | 0.532 | C | S | . | . | S | Bend | trans | -134.2 | 123.6 | 171.3 | -178.8 | 0 | 0 | 0 | 0 | 107.8 | L744 F757 V784 Y795 | L744-V746 PolarHBondContact O-N 3.03Å; V746-F757 HydrophobicContact CG1-CD1 4.42Å; V746-V784 HydrophobicContact CG2-CG2 4.25Å; V746-Y795 HydrophobicContact CG2-CE1 4.1Å |
| 747 | S | 34.6 | Very low | 35.2 | Very low | 35 Ų | 35 | 106 Ų | 106 | 25% | 0.245 | 54% | 0.539 | C | S | . | . | trans | -110.8 | 162.1 | 176.3 | 69.1 | 0 | 0 | 0 | 0 | 111.3 | Q749 S750 | S747-Q749 PolarHBondContact O-N 3.32Å; S747-S750 PolarHBondContact O-N 2.78Å; S747-S750 VanDerWaalsContact O-N 3.1Å; S747-S750 PolarHBondContact O-OG 3.5Å | ||
| 748 | F | 32.3 | Very low | 35.3 | Very low | 224 Ų | 224 | 98.6 Ų | 98.6 | 98% | 0.982 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -6.1 | 178.3 | -111.4 | -89.2 | 0 | 0 | 0 | 114.6 | ||
| 749 | Q | 33.8 | Very low | 35.1 | Very low | 145 Ų | 145 | 96.9 Ų | 96.9 | 68% | 0.678 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | 9.1 | 179.7 | -66 | -173.8 | -86.4 | 0 | 0 | 113.6 | S747 Y765 | S747-Q749 PolarHBondContact O-N 3.32Å; Q749-Y765 PolarHBondContact OE1-OH 2.9Å |
| 750 | S | 36.1 | Very low | 35.2 | Very low | 31 Ų | 31 | 89.8 Ų | 89.8 | 22% | 0.217 | 46% | 0.464 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 135.8 | 175.4 | 42.7 | 0 | 0 | 0 | 0 | 111.8 | S747 F752 | S747-S750 PolarHBondContact O-N 2.78Å; S747-S750 VanDerWaalsContact O-N 3.1Å; S747-S750 PolarHBondContact O-OG 3.5Å; S750-F752 PolarHBondContact O-N 3.14Å |
| 751 | E | 37.8 | Very low | 35.1 | Very low | 153 Ų | 153 | 89.8 Ų | 89.8 | 72% | 0.715 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 128.6 | -179.7 | -89.7 | -172.3 | 162.4 | 0 | 0 | 111.4 | I758 | E751-I758 HydrophobicContact CB-CD1 4.21Š|
| 752 | F | 33.2 | Very low | 34.9 | Very low | 140 Ų | 140 | 87 Ų | 87 | 61% | 0.614 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 119.5 | -179.9 | -167.9 | -96.8 | 0 | 0 | 0 | 111 | S750 | S750-F752 PolarHBondContact O-N 3.14Å |
| 753 | K | 28.6 | Very low | 34.6 | Very low | 165 Ų | 165 | 86.5 Ų | 86.5 | 72% | 0.717 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 120.7 | 165.2 | -105.2 | 176.2 | 178.9 | 169.9 | 0 | 108.5 | H755 I756 | K753-H755 PolarHBondContact O-N 3.37Å; K753-I756 PolarHBondContact O-N 2.81Å |
| 754 | A | 31.3 | Very low | 34 | Very low | 84 Ų | 84 | 85.7 Ų | 85.7 | 69% | 0.694 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 15.8 | 93.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | I756 | A754-I756 VanDerWaalsContact C-N 3.31Å; A754-I756 PolarHBondContact O-N 3.39Å |
| 755 | H | 33.7 | Very low | 33.8 | Very low | 174 Ų | 174 | 86.4 Ų | 86.4 | 81% | 0.806 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 2.6 | 169.2 | -78.6 | 50.4 | 0 | 0 | 0 | 118.6 | K753 | K753-H755 PolarHBondContact O-N 3.37Š|
| 756 | I | 28.2 | Very low | 33.3 | Very low | 24 Ų | 24 | 91.1 Ų | 91.1 | 12% | 0.123 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 139.3 | -178.1 | -53 | -177.6 | 0 | 0 | 0 | 111.1 | K753 A754 K794 F796 | K753-I756 PolarHBondContact O-N 2.81Å; A754-I756 VanDerWaalsContact C-N 3.31Å; A754-I756 PolarHBondContact O-N 3.39Å; I756-K794 WeakPolarHBondContact CG2-O 3.47Å; I756-F796 HydrophobicContact CG2-CD1 3.58Å; I756-F796 HydrophobicContact CG2-CE1 3.97Å |
| 757 | F | 31.5 | Very low | 33.2 | Very low | 88 Ų | 88 | 92.3 Ų | 92.3 | 39% | 0.386 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 135.1 | -176.7 | -67.6 | -91.4 | 0 | 0 | 0 | 112.1 | V746 K794 Y795 | V746-F757 HydrophobicContact CG1-CD1 4.42Å; F757-K794 PolarHBondContact N-O 3.38Å; F757-Y795 HydrophobicContact CB-CD1 3.86Å; F757-Y795 HydrophobicContact CB-CE1 3.86Å; F757-Y795 HydrophobicContact CD2-CE1 4.41Å; F757-Y795 HydrophobicContact CG-CE1 4.39Å |
| 758 | I | 33.9 | Very low | 32.7 | Very low | 26 Ų | 26 | 98.3 Ų | 98.3 | 13% | 0.133 | 51% | 0.513 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 129.4 | 171.8 | -62.1 | 175.9 | 0 | 0 | 0 | 109 | E751 F761 F796 | E751-I758 HydrophobicContact CB-CD1 4.21Å; I758-F761 HydrophobicContact CG2-CD2 4.32Å; I758-F761 HydrophobicContact CG2-CE2 3.65Å; I758-F761 HydrophobicContact CG2-CZ 4.37Å; I758-F796 HydrophobicContact CD1-CE2 4.44Å; I758-F796 HydrophobicContact CD1-CZ 3.84Å; I758-F796 HydrophobicContact CG1-CE1 3.78Å; I758-F796 HydrophobicContact CG1-CE2 4.04Å; I758-F796 HydrophobicContact CG1-CZ 3.39Å |
| 759 | T | 35.7 | Very low | 32.6 | Very low | 26 Ų | 26 | 91.9 Ų | 91.9 | 16% | 0.16 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 133.8 | 170.9 | 43.2 | 0 | 0 | 0 | 0 | 110 | F761 F796 | T759-F761 PolarHBondContact O-N 3.02Å; T759-F796 PolarHBondContact OG1-O 2.77Å |
| 760 | S | 37.3 | Very low | 32.3 | Very low | 41 Ų | 41 | 91.7 Ų | 91.7 | 29% | 0.287 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 131.3 | -168.7 | -60 | 0 | 0 | 0 | 0 | 113.1 | ||
| 761 | F | 40.9 | Very low | 32.1 | Very low | 82 Ų | 82 | 90.9 Ų | 90.9 | 36% | 0.36 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 150.1 | 172.6 | -62.3 | -80.1 | 0 | 0 | 0 | 111.8 | I758 T759 T763 G764 | I758-F761 HydrophobicContact CG2-CD2 4.32Å; I758-F761 HydrophobicContact CG2-CE2 3.65Å; I758-F761 HydrophobicContact CG2-CZ 4.37Å; T759-F761 PolarHBondContact O-N 3.02Å; F761-T763 PolarHBondContact O-N 3.45Å; F761-G764 PolarHBondContact O-N 3.36Å |
| 762 | I | 36.6 | Very low | 31.9 | Very low | 53 Ų | 53 | 84.2 Ų | 84.2 | 27% | 0.272 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -61.9 | -24.7 | 168.9 | -62.3 | 173.1 | 0 | 0 | 0 | 111 | L684 F769 | L684-I762 HydrophobicContact CD1-CG2 4.17Å; I762-F769 HydrophobicContact CG2-CE2 4.45Å |
| 763 | T | 34.4 | Very low | 31.9 | Very low | 88 Ų | 88 | 79.1 Ų | 79.1 | 54% | 0.54 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -90.3 | -2.6 | -175.3 | 43.4 | 0 | 0 | 0 | 0 | 115.8 | N705 F761 Y765 | N705-T763 HydrophobicContact CB-CG2 4.49Å; F761-T763 PolarHBondContact O-N 3.45Å; T763-Y765 PolarHBondContact O-N 2.87Å; T763-Y765 VanDerWaalsContact O-N 3.15Å |
| 764 | G | 31.4 | Very low | 32 | Very low | 63 Ų | 63 | 71.8 Ų | 71.8 | 65% | 0.649 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -64.5 | -14 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | F761 | F761-G764 PolarHBondContact O-N 3.36Š|
| 765 | Y | 32.8 | Very low | 32.2 | Very low | 93 Ų | 93 | 71.8 Ų | 71.8 | 37% | 0.365 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -124.5 | 114.7 | 174.4 | -62 | -93.7 | 0 | 0 | 0 | 108.7 | Q749 T763 I767 | Q749-Y765 PolarHBondContact OE1-OH 2.9Å; T763-Y765 PolarHBondContact O-N 2.87Å; T763-Y765 VanDerWaalsContact O-N 3.15Å; Y765-I767 HydrophobicContact CD1-CD1 4.05Å; Y765-I767 HydrophobicContact CG-CD1 4.49Å; Y765-I767 PolarHBondContact O-N 3.07Å |
| 766 | C | 24.5 | Very low | 31.9 | Very low | 144 Ų | 144 | 70.5 Ų | 70.5 | 97% | 0.973 | 39% | 0.389 | S | S | * | . | trans | -68.9 | 70.2 | 160.6 | -92.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 767 | I | 27.9 | Very low | 32 | Very low | 59 Ų | 59 | 73.5 Ų | 73.5 | 30% | 0.303 | 41% | 0.412 | S | S | . | . | trans | -134.9 | 119 | 175.5 | -48.8 | 173.5 | 0 | 0 | 0 | 109.2 | Q736 F737 Y765 F769 | Q736-I767 HydrophobicContact CG-CG2 4.31Å; F737-I767 HydrophobicContact CE2-CG2 4.49Å; Y765-I767 HydrophobicContact CD1-CD1 4.05Å; Y765-I767 HydrophobicContact CG-CD1 4.49Å; Y765-I767 PolarHBondContact O-N 3.07Å; I767-F769 VanDerWaalsContact O-CD2 3.26Å; I767-F769 WeakPolarHBondContact O-CD2 3.48Å; I767-F769 WeakPolarHBondContact O-CE2 3.4Å; I767-F769 PolarHBondContact O-N 2.89Å | ||
| 768 | M | 23.9 | Very low | 32 | Very low | 162 Ų | 162 | 75 Ų | 75 | 80% | 0.798 | 43% | 0.434 | S | S | * | . | trans | -56.2 | 119.2 | 172 | -91.6 | -160.7 | 65.4 | 0 | 0 | 110.7 | ||||
| 769 | F | 30.2 | Very low | 31.9 | Very low | 88 Ų | 88 | 80.4 Ų | 80.4 | 39% | 0.386 | 46% | 0.463 | S | S | . | . | trans | -91 | 136.3 | 174.1 | -66.1 | -77.5 | 0 | 0 | 0 | 110.8 | F734 I762 I767 | F734-F769 HydrophobicContact CD1-CD1 4.48Å; I762-F769 HydrophobicContact CG2-CE2 4.45Å; I767-F769 VanDerWaalsContact O-CD2 3.26Å; I767-F769 WeakPolarHBondContact O-CD2 3.48Å; I767-F769 WeakPolarHBondContact O-CE2 3.4Å; I767-F769 PolarHBondContact O-N 2.89Å | ||
| 770 | I | 28.4 | Very low | 31.5 | Very low | 142 Ų | 142 | 84.1 Ų | 84.1 | 73% | 0.728 | 48% | 0.48 | S | S | * | . | trans | -110.9 | -13.7 | -174.7 | -62.3 | 174.8 | 0 | 0 | 0 | 112.5 | ||||
| 771 | G | 31.6 | Very low | 31.2 | Very low | 14 Ų | 14 | 89.4 Ų | 89.4 | 14% | 0.144 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.2 | 159.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | E735 | E735-G771 PolarHBondContact N-O 3.23Å; E735-G771 VanDerWaalsContact N-O 3.15Å |
| 772 | V | 33.8 | Very low | 30.9 | Very low | 12 Ų | 12 | 90.6 Ų | 90.6 | 7% | 0.073 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 131.6 | 177.4 | -178 | 0 | 0 | 0 | 0 | 109.9 | V686 T687 T689 N733 F734 | V686-V772 HydrophobicContact CG1-CG2 3.73Å; T687-V772 PolarHBondContact O-N 3.43Å; T687-V772 VanDerWaalsContact O-N 3.1Å; T689-V772 PolarHBondContact N-O 3.15Å; N733-V772 WeakPolarHBondContact O-CG1 3.32Å; F734-V772 HydrophobicContact CD1-CG2 3.77Å; F734-V772 HydrophobicContact CE1-CG2 3.65Å |
| 773 | K | 32.7 | Very low | 30.7 | Very low | 34 Ų | 34 | 91.3 Ų | 91.3 | 15% | 0.148 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 129.3 | 178.2 | -84.4 | 173 | 175.9 | 155.7 | 0 | 111.1 | N733 E735 | N733-K773 WeakPolarHBondContact CB-O 3.33Å; N733-K773 PolarHBondContact N-O 3.45Å; N733-K773 PolarHBondContact O-N 3.38Å; N733-K773 VanDerWaalsContact O-O 3.12Å; E735-K773 IonicContact OE1-NZ 3.02Å; E735-K773 PolarHBondContact OE1-NZ 3.42Å; E735-K773 WeakPolarHBondContact OE2-CD 3.41Å; E735-K773 WeakPolarHBondContact OE2-CE 3.44Å; E735-K773 IonicContact OE2-NZ 3.57Å; E735-K773 PolarHBondContact OE2-NZ 3.23Å |
| 774 | L | 31.1 | Very low | 30.8 | Very low | 10 Ų | 10 | 89.1 Ų | 89.1 | 5% | 0.052 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 135.8 | 177.7 | -73.5 | 149.1 | 0 | 0 | 0 | 111.3 | V688 T689 I690 F719 I730 T732 | V688-L774 HydrophobicContact CG1-CD1 3.62Å; T689-L774 PolarHBondContact O-N 2.88Å; T689-L774 VanDerWaalsContact O-N 3.1Å; I690-L774 HydrophobicContact CG1-CD1 3.96Å; F719-L774 HydrophobicContact CE2-CD1 3.87Å; F719-L774 HydrophobicContact CZ-CD1 3.84Å; I730-L774 HydrophobicContact CG2-CD2 3.44Å; I730-L774 VanDerWaalsContact CG2-CD2 3.44Å; T732-L774 HydrophobicContact CG2-CD2 3.77Å |
| 775 | H | 35 | Very low | 31 | Very low | 85 Ų | 85 | 93.3 Ų | 93.3 | 39% | 0.394 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 143 | 175 | -93 | -81.5 | 0 | 0 | 0 | 110.1 | R691 | R691-H775 PolarHBondContact NH1-NE2 3.41Å |
| 776 | T | 28.3 | Very low | 31.2 | Very low | 146 Ų | 146 | 93.4 Ų | 93.4 | 90% | 0.896 | 52% | 0.516 | S | S | * | . | trans | -82.6 | 121.2 | 164.2 | 47.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 777 | S | 30.7 | Very low | 31.9 | Very low | 87 Ų | 87 | 92.8 Ų | 92.8 | 61% | 0.608 | 50% | 0.503 | S | S | * | . | trans | -127.2 | 141.9 | -179.8 | -173.9 | 0 | 0 | 0 | 0 | 111 | N779 | S777-N779 PolarHBondContact O-N 3.15Š| ||
| 778 | S | 31.9 | Very low | 32.6 | Very low | 120 Ų | 120 | 92.3 Ų | 92.3 | 84% | 0.839 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -85 | 8.7 | -176.4 | 47.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 779 | N | 30 | Very low | 33.6 | Very low | 140 Ų | 140 | 92.2 Ų | 92.2 | 75% | 0.749 | 50% | 0.499 | S | S | * | . | trans | -113 | 101.7 | 179.8 | -97.2 | -15.6 | 0 | 0 | 0 | 111.7 | S777 | S777-N779 PolarHBondContact O-N 3.15Š| ||
| 780 | M | 28.1 | Very low | 34.3 | Very low | 103 Ų | 103 | 92.3 Ų | 92.3 | 51% | 0.507 | 50% | 0.503 | S | S | . | . | trans | -109.9 | 50 | -169.6 | -113.2 | -77.2 | 177.7 | 0 | 0 | 112.6 | L783 | M780-L783 HydrophobicContact CE-CD1 3.59Å; M780-L783 HydrophobicContact SD-CD1 3.89Å | ||
| 781 | N | 31.9 | Very low | 35 | Very low | 152 Ų | 152 | 89.2 Ų | 89.2 | 81% | 0.813 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -111.5 | 2.5 | -173.1 | -83.4 | 1.5 | 0 | 0 | 0 | 117.4 | ||
| 782 | T | 33.2 | Very low | 35.5 | Very low | 107 Ų | 107 | 94.2 Ų | 94.2 | 66% | 0.656 | 51% | 0.512 | S | S | * | . | trans | -152.5 | 66.6 | 175.5 | 37.6 | 0 | 0 | 0 | 0 | 110.8 | L744 | L744-T782 WeakPolarHBondContact CD2-O 3.03Š| ||
| 783 | L | 32.1 | Very low | 36 | Very low | 68 Ų | 68 | 95.5 Ų | 95.5 | 36% | 0.356 | 53% | 0.528 | S | S | . | . | trans | -97.8 | 132.6 | 159.6 | -111.2 | 134.2 | 0 | 0 | 0 | 106.9 | M780 K785 | M780-L783 HydrophobicContact CE-CD1 3.59Å; M780-L783 HydrophobicContact SD-CD1 3.89Å; L783-K785 VanDerWaalsContact C-N 3.33Å; L783-K785 PolarHBondContact O-N 3.44Å | ||
| 784 | V | 36.9 | Very low | 36.5 | Very low | 43 Ų | 43 | 97.5 Ų | 97.5 | 26% | 0.261 | 54% | 0.537 | S | S | . | . | trans | -59 | 105.1 | 165.3 | 174.9 | 0 | 0 | 0 | 0 | 105.4 | A745 V746 L786 | A745-V784 HydrophobicContact CB-CB 4.21Å; A745-V784 HydrophobicContact CB-CG2 4.06Å; V746-V784 HydrophobicContact CG2-CG2 4.25Å; V784-L786 PolarHBondContact O-N 2.83Å | ||
| 785 | K | 35.8 | Very low | 37.2 | Very low | 151 Ų | 151 | 99 Ų | 99 | 66% | 0.657 | 54% | 0.542 | S | S | * | . | trans | -62.6 | 120 | 176.3 | -78.8 | -175 | 175.8 | -176.8 | 0 | 107.1 | L783 D787 D788 | L783-K785 VanDerWaalsContact C-N 3.33Å; L783-K785 PolarHBondContact O-N 3.44Å; K785-D787 HydrophobicContact CB-CB 4.14Å; K785-D787 PolarHBondContact O-N 3.37Å; K785-D788 PolarHBondContact O-N 3.22Å; K785-D788 VanDerWaalsContact O-N 3.14Å | ||
| 786 | L | 37 | Very low | 37.5 | Very low | 94 Ų | 94 | 97.1 Ų | 97.1 | 49% | 0.492 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -9.6 | 161 | -81.2 | 144 | 0 | 0 | 0 | 111.7 | V784 | V784-L786 PolarHBondContact O-N 2.83Š|
| 787 | D | 39.9 | Very low | 38.6 | Very low | 131 Ų | 131 | 93 Ų | 93 | 70% | 0.701 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | 10.3 | 174.1 | -53.5 | -37 | 0 | 0 | 0 | 114.9 | K785 E789 | K785-D787 HydrophobicContact CB-CB 4.14Å; K785-D787 PolarHBondContact O-N 3.37Å; D787-E789 PolarHBondContact O-N 3.24Å; D787-E789 VanDerWaalsContact O-N 3.12Å |
| 788 | D | 41.5 | Very low | 39.2 | Very low | 50 Ų | 50 | 91 Ų | 91 | 27% | 0.267 | 49% | 0.486 | S | S | . | . | trans | -67.3 | 109.6 | 169.5 | -166.1 | -22.3 | 0 | 0 | 0 | 108.7 | K785 N790 F791 K794 | K785-D788 PolarHBondContact O-N 3.22Å; K785-D788 VanDerWaalsContact O-N 3.14Å; D788-N790 PolarHBondContact O-N 3.47Å; D788-N790 PolarHBondContact OD1-N 3.09Å; D788-F791 WeakPolarHBondContact O-CB 3.43Å; D788-F791 PolarHBondContact O-N 3.07Å; D788-K794 IonicContact OD1-NZ 2.59Å; D788-K794 PolarHBondContact OD1-NZ 3.26Å; D788-K794 IonicContact OD2-NZ 3.95Å; D788-K794 PolarHBondContact OD2-NZ 2.96Å | ||
| 789 | E | 46.3 | Very low | 39.7 | Very low | 159 Ų | 159 | 91 Ų | 91 | 74% | 0.743 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -18.7 | -176.4 | -76.2 | -161.4 | 175.2 | 0 | 0 | 113.4 | R98 D787 | R98-E789 IonicContact CZ-OE2 2.86Å; R98-E789 IonicContact NH1-OE2 3.6Å; R98-E789 PolarHBondContact NH1-OE2 2.79Å; D787-E789 PolarHBondContact O-N 3.24Å; D787-E789 VanDerWaalsContact O-N 3.12Å |
| 790 | N | 45.3 | Very low | 40.5 | Very low | 90 Ų | 90 | 87.5 Ų | 87.5 | 48% | 0.481 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 28.7 | 179.7 | -146.1 | 6.4 | 0 | 0 | 0 | 113.8 | D788 T792 G793 K794 | D788-N790 PolarHBondContact O-N 3.47Å; D788-N790 PolarHBondContact OD1-N 3.09Å; N790-T792 VanDerWaalsContact C-N 3.28Å; N790-T792 PolarHBondContact O-N 3.48Å; N790-G793 PolarHBondContact O-N 3.38Å; N790-K794 HydrophobicContact CB-CD 4.31Å; N790-K794 PolarHBondContact O-N 2.89Å |
| 791 | F | 42.5 | Very low | 41.2 | Very low | 77 Ų | 77 | 86 Ų | 86 | 34% | 0.338 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -53.6 | -41.5 | -178.4 | -172 | -93.6 | 0 | 0 | 0 | 113.3 | D788 G793 K794 Y795 | D788-F791 WeakPolarHBondContact O-CB 3.43Å; D788-F791 PolarHBondContact O-N 3.07Å; F791-G793 PolarHBondContact O-N 2.56Å; F791-K794 PolarHBondContact O-N 2.83Å; F791-Y795 AromaticContact CD2-CD2 3.76Å; F791-Y795 HydrophobicContact CD2-CD2 3.76Å; F791-Y795 HydrophobicContact CD2-CE2 4.3Å; F791-Y795 HydrophobicContact CE2-CD2 4.09Å; F791-Y795 HydrophobicContact CE2-CG 4.44Å; F791-Y795 HydrophobicContact CG-CD2 4.22Å; F791-Y795 WeakPolarHBondContact O-CD2 3.34Å; F791-Y795 PolarHBondContact O-N 3.1Å |
| 792 | T | 42.5 | Very low | 41.7 | Very low | 119 Ų | 119 | 83.3 Ų | 83.3 | 73% | 0.73 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -73.2 | -22.1 | -177.8 | 50.6 | 0 | 0 | 0 | 0 | 114.6 | N790 | N790-T792 VanDerWaalsContact C-N 3.28Å; N790-T792 PolarHBondContact O-N 3.48Å |
| 793 | G | 43.4 | Very low | 42.3 | Very low | 39 Ų | 39 | 82 Ų | 82 | 40% | 0.402 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -93.4 | -19.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | N790 F791 | N790-G793 PolarHBondContact O-N 3.38Å; F791-G793 PolarHBondContact O-N 2.56Å |
| 794 | K | 43.3 | Very low | 42.6 | Very low | 76 Ų | 76 | 86.6 Ų | 86.6 | 33% | 0.33 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -103.5 | -23.6 | -176.9 | -70.8 | 174.2 | 178 | 167.5 | 0 | 114.3 | I756 F757 D788 N790 F791 | I756-K794 WeakPolarHBondContact CG2-O 3.47Å; F757-K794 PolarHBondContact N-O 3.38Å; D788-K794 IonicContact OD1-NZ 2.59Å; D788-K794 PolarHBondContact OD1-NZ 3.26Å; D788-K794 IonicContact OD2-NZ 3.95Å; D788-K794 PolarHBondContact OD2-NZ 2.96Å; N790-K794 HydrophobicContact CB-CD 4.31Å; N790-K794 PolarHBondContact O-N 2.89Å; F791-K794 PolarHBondContact O-N 2.83Å |
| 795 | Y | 45 | Very low | 42.7 | Very low | 41 Ų | 41 | 92.9 Ų | 92.9 | 16% | 0.161 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 137.1 | -173.2 | -52.8 | -80.4 | 0 | 0 | 0 | 111 | V746 F757 F791 | V746-Y795 HydrophobicContact CG2-CE1 4.1Å; F757-Y795 HydrophobicContact CB-CD1 3.86Å; F757-Y795 HydrophobicContact CB-CE1 3.86Å; F757-Y795 HydrophobicContact CD2-CE1 4.41Å; F757-Y795 HydrophobicContact CG-CE1 4.39Å; F791-Y795 AromaticContact CD2-CD2 3.76Å; F791-Y795 HydrophobicContact CD2-CD2 3.76Å; F791-Y795 HydrophobicContact CD2-CE2 4.3Å; F791-Y795 HydrophobicContact CE2-CD2 4.09Å; F791-Y795 HydrophobicContact CE2-CG 4.44Å; F791-Y795 HydrophobicContact CG-CD2 4.22Å; F791-Y795 WeakPolarHBondContact O-CD2 3.34Å; F791-Y795 PolarHBondContact O-N 3.1Å |
| 796 | F | 43 | Very low | 42.8 | Very low | 46 Ų | 46 | 90.9 Ų | 90.9 | 20% | 0.202 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 156.2 | 167.2 | 68.7 | -84.4 | 0 | 0 | 0 | 110.3 | I756 I758 T759 | I756-F796 HydrophobicContact CG2-CD1 3.58Å; I756-F796 HydrophobicContact CG2-CE1 3.97Å; I758-F796 HydrophobicContact CD1-CE2 4.44Å; I758-F796 HydrophobicContact CD1-CZ 3.84Å; I758-F796 HydrophobicContact CG1-CE1 3.78Å; I758-F796 HydrophobicContact CG1-CE2 4.04Å; I758-F796 HydrophobicContact CG1-CZ 3.39Å; T759-F796 PolarHBondContact OG1-O 2.77Å |
| 797 | H | 50 | Low | 43 | Very low | 60 Ų | 60 | 93.7 Ų | 93.7 | 28% | 0.278 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -113.7 | -72.3 | -178.8 | -173.6 | -124.6 | 0 | 0 | 0 | 110.7 | C706 | C706-H797 PolarHBondContact O-CE1 3Å; C706-H797 PolarHBondContact O-NE2 2.86Å |
| 798 | L | 43.1 | Very low | 43.3 | Very low | 46 Ų | 46 | 88.9 Ų | 88.9 | 24% | 0.241 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -114.4 | -19.1 | -177.9 | -63.7 | 172 | 0 | 0 | 0 | 114 | F679 | F679-L798 HydrophobicContact CE2-CB 4.34Å; F679-L798 HydrophobicContact CE2-CD2 4.45Å |
| 799 | I | 42.8 | Very low | 43.3 | Very low | 118 Ų | 118 | 95 Ų | 95 | 61% | 0.605 | 49% | 0.49 | S | S | * | . | trans | -125 | 118.7 | -174.7 | -57.2 | 176.1 | 0 | 0 | 0 | 107.6 | ||||
| 800 | D | 47.6 | Very low | 42.7 | Very low | 67 Ų | 67 | 91.9 Ų | 91.9 | 36% | 0.358 | 48% | 0.479 | S | S | . | . | trans | -83.4 | 118.1 | 173.8 | 179.9 | -7.8 | 0 | 0 | 0 | 109.2 | D802 V803 | D800-D802 VanDerWaalsContact C-N 3.31Å; D800-D802 PolarHBondContact O-N 2.76Å; D800-D802 PolarHBondContact OD1-N 2.88Å; D800-V803 HydrophobicContact CB-CG2 3.81Å | ||
| 801 | P | 41.8 | Very low | 42.5 | Very low | 72 Ų | 72 | 92.5 Ų | 92.5 | 47% | 0.468 | 49% | 0.488 | S | S | . | . | G | 310 helix | trans | -68.2 | -22.6 | -178.6 | 25.7 | -30.9 | 0 | 0 | 0 | 114 | V803 | P801-V803 PolarHBondContact O-N 2.91Š|
| 802 | D | 43 | Very low | 42.4 | Very low | 96 Ų | 96 | 96.1 Ų | 96.1 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | G | 310 helix | trans | -80.7 | -1.2 | -176.1 | -69.7 | -22 | 0 | 0 | 0 | 113.7 | D800 E804 E805 | D800-D802 VanDerWaalsContact C-N 3.31Å; D800-D802 PolarHBondContact O-N 2.76Å; D800-D802 PolarHBondContact OD1-N 2.88Å; D802-E804 PolarHBondContact O-N 3.29Å; D802-E805 PolarHBondContact O-N 2.89Å |
| 803 | V | 45 | Very low | 42.2 | Very low | 79 Ų | 79 | 99.9 Ų | 99.9 | 48% | 0.479 | 51% | 0.506 | S | S | . | . | G | 310 helix | trans | -74 | -5.6 | 178.1 | -177.4 | 0 | 0 | 0 | 0 | 112.5 | D800 P801 | D800-V803 HydrophobicContact CB-CG2 3.81Å; P801-V803 PolarHBondContact O-N 2.91Å |
| 804 | E | 38.3 | Very low | 42.1 | Very low | 165 Ų | 165 | 103.9 Ų | 103.9 | 77% | 0.771 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -81.4 | -20.4 | 170.1 | -68.8 | -161.9 | 156.2 | 0 | 0 | 113.4 | D802 | D802-E804 PolarHBondContact O-N 3.29Š|
| 805 | E | 40.3 | Very low | 41.8 | Very low | 174 Ų | 174 | 108.8 Ų | 108.8 | 81% | 0.813 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | -17.7 | -178.5 | -67.8 | -165.6 | 161.7 | 0 | 0 | 114.9 | D802 H807 | D802-E805 PolarHBondContact O-N 2.89Å; E805-H807 PolarHBondContact O-N 3.32Å |
| 806 | D | 36.4 | Very low | 41.5 | Very low | 110 Ų | 110 | 110.9 Ų | 110.9 | 59% | 0.588 | 55% | 0.548 | S | S | * | . | trans | -88.5 | 90.5 | 176.9 | -165.9 | 5.7 | 0 | 0 | 0 | 112.9 | G808 | D806-G808 PolarHBondContact O-N 2.79Å; D806-G808 VanDerWaalsContact O-N 3.17Å; D806-G808 PolarHBondContact OD1-N 2.76Å; D806-G808 VanDerWaalsContact OD1-N 3.1Å | ||
| 807 | H | 42.5 | Very low | 41.4 | Very low | 152 Ų | 152 | 115.1 Ų | 115.1 | 70% | 0.704 | 57% | 0.566 | S | S | * | * | trans | -71.3 | 1.4 | 175.5 | -77.3 | -59.2 | 0 | 0 | 0 | 114.8 | E805 K814 | E805-H807 PolarHBondContact O-N 3.32Å; H807-K814 PolarHBondContact O-NZ 2.78Å | ||
| 808 | G | 46.2 | Very low | 41 | Very low | 31 Ų | 31 | 116.3 Ų | 116.3 | 32% | 0.32 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -93.4 | -42 | -153.9 | 0 | 0 | 0 | 0 | 0 | 121.2 | D806 | D806-G808 PolarHBondContact O-N 2.79Å; D806-G808 VanDerWaalsContact O-N 3.17Å; D806-G808 PolarHBondContact OD1-N 2.76Å; D806-G808 VanDerWaalsContact OD1-N 3.1Å |
| 809 | K | 41.1 | Very low | 41 | Very low | 178 Ų | 178 | 123.3 Ų | 123.3 | 77% | 0.774 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -134.9 | 10.1 | -147.9 | -80.4 | -174.8 | -179.7 | 175.2 | 0 | 122 | ||
| 810 | N | 34.6 | Very low | 41.2 | Very low | 93 Ų | 93 | 124.7 Ų | 124.7 | 50% | 0.497 | 61% | 0.606 | S | S | . | * | trans | -150.7 | 108.8 | 172.2 | -134.5 | -17.1 | 0 | 0 | 0 | 115 | ||||
| 811 | P | 40.6 | Very low | 40.9 | Very low | 103 Ų | 103 | 124 Ų | 124 | 67% | 0.669 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -74.1 | -27.8 | -176.9 | 26.6 | -30.9 | 0 | 0 | 0 | 114.1 | K814 | P811-K814 PolarHBondContact O-N 3.25Å |
| 812 | E | 39.6 | Very low | 41.2 | Very low | 153 Ų | 153 | 125.3 Ų | 125.3 | 72% | 0.715 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.6 | -41.6 | 179.2 | -75.6 | -78.4 | 138.1 | 0 | 0 | 112.4 | ||
| 813 | R | 39.2 | Very low | 41.8 | Very low | 198 Ų | 198 | 124.1 Ų | 124.1 | 75% | 0.747 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -78.3 | -20.2 | 179.4 | -76 | -174.5 | 177.7 | 176.8 | -1.1 | 114.5 | K815 | R813-K815 VanDerWaalsContact C-N 3.32Å |
| 814 | K | 39.9 | Very low | 42.3 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 54% | 0.535 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -72.6 | -24 | 175 | -83.1 | -176.9 | 179.1 | 175.1 | 0 | 112.6 | H807 P811 L816 | H807-K814 PolarHBondContact O-NZ 2.78Å; P811-K814 PolarHBondContact O-N 3.25Å; K814-L816 VanDerWaalsContact C-N 3.29Å; K814-L816 PolarHBondContact O-N 2.83Å |
| 815 | K | 38.6 | Very low | 43 | Very low | 179 Ų | 179 | 120.2 Ų | 120.2 | 78% | 0.778 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -12 | -177.5 | -127.9 | 177.6 | -178.2 | -177.5 | 0 | 114.4 | R813 | R813-K815 VanDerWaalsContact C-N 3.32Š|
| 816 | L | 38.8 | Very low | 43.8 | Very low | 86 Ų | 86 | 115.9 Ų | 115.9 | 45% | 0.45 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.9 | -3.4 | -176.6 | -92.7 | 132.5 | 0 | 0 | 0 | 115.1 | Y678 K814 L818 | Y678-L816 HydrophobicContact CD1-CD2 4.04Å; Y678-L816 HydrophobicContact CD2-CD2 3.35Å; Y678-L816 HydrophobicContact CE1-CD2 4.01Å; Y678-L816 HydrophobicContact CE2-CD2 3.3Å; Y678-L816 HydrophobicContact CG-CD2 3.73Å; K814-L816 VanDerWaalsContact C-N 3.29Å; K814-L816 PolarHBondContact O-N 2.83Å; L816-L818 PolarHBondContact O-N 3.44Å |
| 817 | K | 39.9 | Very low | 44.9 | Very low | 135 Ų | 135 | 114.4 Ų | 114.4 | 59% | 0.587 | 55% | 0.549 | S | S | * | . | trans | -91.4 | 60.9 | 174.7 | -74 | -169.5 | 177.5 | -175.9 | 0 | 111.6 | ||||
| 818 | L | 40.7 | Very low | 45.6 | Very low | 85 Ų | 85 | 109.3 Ų | 109.3 | 45% | 0.445 | 53% | 0.531 | S | S | . | . | trans | -87.3 | 109.3 | 161.6 | -95.3 | 120.3 | 0 | 0 | 0 | 108.4 | L816 E820 V821 Y822 | L816-L818 PolarHBondContact O-N 3.44Å; L818-E820 HydrophobicContact CD2-CB 4.37Å; L818-E820 PolarHBondContact O-N 2.64Å; L818-V821 HydrophobicContact CB-CB 4.34Å; L818-V821 HydrophobicContact CB-CG2 3.64Å; L818-V821 WeakPolarHBondContact O-CB 3.5Å; L818-V821 PolarHBondContact O-N 3.41Å; L818-Y822 WeakPolarHBondContact O-CD2 3.33Å | ||
| 819 | K | 43.3 | Very low | 46.1 | Very low | 193 Ų | 193 | 110.7 Ų | 110.7 | 84% | 0.839 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -24.8 | 171.3 | -83 | -174.9 | 176 | -179.6 | 0 | 112.3 | Y822 | K819-Y822 PolarHBondContact O-N 2.77Š|
| 820 | E | 47.7 | Very low | 47.5 | Very low | 146 Ų | 146 | 103.5 Ų | 103.5 | 68% | 0.682 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -26.8 | 177.3 | -66.2 | 171 | 171.4 | 0 | 0 | 113.7 | L818 Y822 L823 | L818-E820 HydrophobicContact CD2-CB 4.37Å; L818-E820 PolarHBondContact O-N 2.64Å; E820-Y822 PolarHBondContact O-N 2.76Å; E820-L823 WeakPolarHBondContact O-CB 3.19Å; E820-L823 PolarHBondContact O-N 2.84Å; E820-L823 VanDerWaalsContact O-N 3.15Å |
| 821 | V | 41.9 | Very low | 49 | Very low | 53 Ų | 53 | 103.9 Ų | 103.9 | 32% | 0.321 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.4 | -22.4 | 174.9 | 176.8 | 0 | 0 | 0 | 0 | 111.6 | L818 L823 T824 | L818-V821 HydrophobicContact CB-CB 4.34Å; L818-V821 HydrophobicContact CB-CG2 3.64Å; L818-V821 WeakPolarHBondContact O-CB 3.5Å; L818-V821 PolarHBondContact O-N 3.41Å; V821-L823 VanDerWaalsContact C-N 3.32Å; V821-T824 PolarHBondContact O-OG1 3.46Å |
| 822 | Y | 47.3 | Very low | 49.6 | Very low | 99 Ų | 99 | 100.5 Ų | 100.5 | 39% | 0.388 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -77.5 | -20.8 | 173.7 | -62.9 | -86 | 0 | 0 | 0 | 112.4 | L818 K819 E820 K825 L826 | L818-Y822 WeakPolarHBondContact O-CD2 3.33Å; K819-Y822 PolarHBondContact O-N 2.77Å; E820-Y822 PolarHBondContact O-N 2.76Å; Y822-K825 PolarHBondContact O-N 3.15Å; Y822-L826 WeakPolarHBondContact O-CG 3.4Å; Y822-L826 PolarHBondContact O-N 3.46Å |
| 823 | L | 54.9 | Low | 50.5 | Low | 72 Ų | 72 | 94 Ų | 94 | 38% | 0.377 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -69.7 | -36.3 | 177.7 | -168.1 | 67.2 | 0 | 0 | 0 | 111.6 | E820 V821 K825 L826 L827 T938 | E820-L823 WeakPolarHBondContact O-CB 3.19Å; E820-L823 PolarHBondContact O-N 2.84Å; E820-L823 VanDerWaalsContact O-N 3.15Å; V821-L823 VanDerWaalsContact C-N 3.32Å; L823-K825 VanDerWaalsContact C-N 3.31Å; L823-K825 PolarHBondContact O-N 3.3Å; L823-L826 HydrophobicContact CD1-CD1 4.48Å; L823-L826 PolarHBondContact O-N 2.92Å; L823-L827 WeakPolarHBondContact O-CG 3.49Å; L823-L827 PolarHBondContact O-N 2.96Å; L823-T938 HydrophobicContact CD1-CG2 3.52Å |
| 824 | T | 55.5 | Low | 52.1 | Low | 86 Ų | 86 | 86.3 Ų | 86.3 | 53% | 0.528 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.8 | -33.2 | 174.7 | 55.2 | 0 | 0 | 0 | 0 | 111.9 | V821 L827 S828 | V821-T824 PolarHBondContact O-OG1 3.46Å; T824-L827 PolarHBondContact O-N 3.41Å; T824-S828 WeakPolarHBondContact O-CB 3.49Å; T824-S828 PolarHBondContact O-N 3.24Å |
| 825 | K | 54.9 | Low | 53.4 | Low | 75 Ų | 75 | 83.1 Ų | 83.1 | 33% | 0.326 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.8 | -44.1 | 171.6 | -71.7 | -176.7 | 172.8 | 177.2 | 0 | 112.4 | V676 Y822 L823 L827 S828 T829 | V676-K825 PolarHBondContact O-NZ 3.02Å; Y822-K825 PolarHBondContact O-N 3.15Å; L823-K825 VanDerWaalsContact C-N 3.31Å; L823-K825 PolarHBondContact O-N 3.3Å; K825-L827 VanDerWaalsContact C-N 3.28Å; K825-L827 PolarHBondContact O-N 3.38Å; K825-S828 WeakPolarHBondContact O-CB 3.49Å; K825-S828 PolarHBondContact O-N 3.15Å; K825-S828 VanDerWaalsContact O-N 3.13Å; K825-T829 PolarHBondContact O-N 3.43Å; K825-T829 PolarHBondContact O-OG1 3.19Å |
| 826 | L | 57.1 | Low | 54.5 | Low | 83 Ų | 83 | 77 Ų | 77 | 44% | 0.435 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.3 | -39.5 | 173.8 | -70.6 | 173.3 | 0 | 0 | 0 | 112 | Y822 L823 K830 T938 L942 | Y822-L826 WeakPolarHBondContact O-CG 3.4Å; Y822-L826 PolarHBondContact O-N 3.46Å; L823-L826 HydrophobicContact CD1-CD1 4.48Å; L823-L826 PolarHBondContact O-N 2.92Å; L826-K830 WeakPolarHBondContact O-CB 3.22Å; L826-K830 PolarHBondContact O-N 3.24Å; L826-T938 HydrophobicContact CD1-CG2 4.17Å; L826-L942 HydrophobicContact CB-CD1 4.46Å; L826-L942 HydrophobicContact CB-CD2 4.06Å |
| 827 | L | 58.8 | Low | 56.2 | Low | 79 Ų | 79 | 72.9 Ų | 72.9 | 41% | 0.414 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 173.3 | -76 | 165.3 | 0 | 0 | 0 | 111.8 | L823 T824 K825 K830 V831 L942 | L823-L827 WeakPolarHBondContact O-CG 3.49Å; L823-L827 PolarHBondContact O-N 2.96Å; T824-L827 PolarHBondContact O-N 3.41Å; K825-L827 VanDerWaalsContact C-N 3.28Å; K825-L827 PolarHBondContact O-N 3.38Å; L827-K830 PolarHBondContact O-N 3.48Å; L827-V831 VanDerWaalsContact O-CG2 3.27Å; L827-V831 WeakPolarHBondContact O-CG2 3.43Å; L827-V831 PolarHBondContact O-N 3.11Å; L827-L942 HydrophobicContact CD2-CD2 4.03Å; L827-L942 HydrophobicContact CG-CD2 4.26Å |
| 828 | S | 56.1 | Low | 58.1 | Low | 46 Ų | 46 | 67.9 Ų | 67.9 | 32% | 0.322 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.6 | -47.7 | 176.2 | 179.4 | 0 | 0 | 0 | 0 | 111.7 | T824 K825 K830 V831 A832 | T824-S828 WeakPolarHBondContact O-CB 3.49Å; T824-S828 PolarHBondContact O-N 3.24Å; K825-S828 WeakPolarHBondContact O-CB 3.49Å; K825-S828 PolarHBondContact O-N 3.15Å; K825-S828 VanDerWaalsContact O-N 3.13Å; S828-K830 PolarHBondContact O-N 2.88Å; S828-V831 PolarHBondContact O-N 3.36Å; S828-A832 PolarHBondContact O-N 3.04Å |
| 829 | T | 58.3 | Low | 59.6 | Low | 60 Ų | 60 | 67.8 Ų | 67.8 | 37% | 0.368 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 174.3 | -53.7 | 0 | 0 | 0 | 0 | 111.1 | K825 V831 A832 V833 | K825-T829 PolarHBondContact O-N 3.43Å; K825-T829 PolarHBondContact O-OG1 3.19Å; T829-V831 VanDerWaalsContact C-N 3.34Å; T829-V831 PolarHBondContact O-N 3.42Å; T829-A832 PolarHBondContact O-N 3.45Å; T829-V833 WeakPolarHBondContact O-CG2 3.2Å; T829-V833 PolarHBondContact O-N 3.25Å |
| 830 | K | 69.4 | Low | 61 | Low | 27 Ų | 27 | 59 Ų | 59 | 12% | 0.117 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -55.9 | -48.7 | 175.8 | -177.2 | -85.5 | -173.2 | -175 | 0 | 110.9 | L826 L827 S828 A832 V833 H834 L942 Y943 D946 | L826-K830 WeakPolarHBondContact O-CB 3.22Å; L826-K830 PolarHBondContact O-N 3.24Å; L827-K830 PolarHBondContact O-N 3.48Å; S828-K830 PolarHBondContact O-N 2.88Å; K830-A832 VanDerWaalsContact C-N 3.35Å; K830-A832 PolarHBondContact O-N 3.25Å; K830-V833 PolarHBondContact O-N 3.43Å; K830-H834 WeakPolarHBondContact CE-ND1 3.36Å; K830-H834 PolarHBondContact NZ-CE1 3.1Å; K830-H834 PolarHBondContact NZ-ND1 3.28Å; K830-H834 WeakPolarHBondContact O-CA 3.46Å; K830-H834 VanDerWaalsContact O-CB 3.22Å; K830-H834 WeakPolarHBondContact O-CB 3.28Å; K830-H834 PolarHBondContact O-N 3.06Å; K830-L942 HydrophobicContact CB-CD2 4.46Å; K830-Y943 HydrophobicContact CG-CE1 4.19Å; K830-Y943 HydrophobicContact CG-CE2 4.17Å; K830-D946 WeakPolarHBondContact CE-OD2 3.36Å; K830-D946 IonicContact NZ-OD1 3.63Å; K830-D946 IonicContact NZ-OD2 2.96Å; K830-D946 PolarHBondContact NZ-OD2 3.38Å |
| 831 | V | 66.1 | Low | 62.8 | Low | 100 Ų | 100 | 52 Ų | 52 | 61% | 0.606 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -61 | -43.9 | -179.9 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | L827 S828 T829 V833 H834 | L827-V831 VanDerWaalsContact O-CG2 3.27Å; L827-V831 WeakPolarHBondContact O-CG2 3.43Å; L827-V831 PolarHBondContact O-N 3.11Å; S828-V831 PolarHBondContact O-N 3.36Å; T829-V831 VanDerWaalsContact C-N 3.34Å; T829-V831 PolarHBondContact O-N 3.42Å; V831-V833 PolarHBondContact O-N 3.45Å; V831-H834 WeakPolarHBondContact O-CB 3.37Å; V831-H834 PolarHBondContact O-N 3.37Å |
| 832 | A | 52.9 | Low | 64.6 | Low | 32 Ų | 32 | 54.1 Ų | 54.1 | 26% | 0.264 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S828 T829 K830 | S828-A832 PolarHBondContact O-N 3.04Å; T829-A832 PolarHBondContact O-N 3.45Å; K830-A832 VanDerWaalsContact C-N 3.35Å; K830-A832 PolarHBondContact O-N 3.25Å |
| 833 | V | 59.5 | Low | 65.8 | Low | 16 Ų | 16 | 50.3 Ų | 50.3 | 10% | 0.097 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -89.4 | -4.5 | 179.6 | -54 | 0 | 0 | 0 | 0 | 113.5 | T829 K830 V831 S835 Y836 V837 | T829-V833 WeakPolarHBondContact O-CG2 3.2Å; T829-V833 PolarHBondContact O-N 3.25Å; K830-V833 PolarHBondContact O-N 3.43Å; V831-V833 PolarHBondContact O-N 3.45Å; V833-S835 PolarHBondContact O-N 3.05Å; V833-Y836 WeakPolarHBondContact O-CB 3.35Å; V833-Y836 PolarHBondContact O-N 3.41Å; V833-V837 HydrophobicContact CG2-CG2 4.33Å; V833-V837 WeakPolarHBondContact O-CG2 3.19Å; V833-V837 PolarHBondContact O-N 3.16Å; V833-V837 VanDerWaalsContact O-N 3.08Å |
| 834 | H | 72.1 | Confident | 66.8 | Low | 37 Ų | 37 | 47.4 Ų | 47.4 | 17% | 0.171 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63 | -44.3 | -167.2 | -169.3 | 50.3 | 0 | 0 | 0 | 113.2 | K830 V831 Y836 V837 E838 D946 | K830-H834 WeakPolarHBondContact CE-ND1 3.36Å; K830-H834 PolarHBondContact NZ-CE1 3.1Å; K830-H834 PolarHBondContact NZ-ND1 3.28Å; K830-H834 WeakPolarHBondContact O-CA 3.46Å; K830-H834 VanDerWaalsContact O-CB 3.22Å; K830-H834 WeakPolarHBondContact O-CB 3.28Å; K830-H834 PolarHBondContact O-N 3.06Å; V831-H834 WeakPolarHBondContact O-CB 3.37Å; V831-H834 PolarHBondContact O-N 3.37Å; H834-Y836 PolarHBondContact O-N 2.88Å; H834-V837 PolarHBondContact O-N 3.05Å; H834-E838 WeakPolarHBondContact O-CB 3.25Å; H834-E838 PolarHBondContact O-N 2.96Å; H834-D946 VanDerWaalsContact CE1-CG 3.5Å; H834-D946 IonicContact CE1-OD1 3.56Å; H834-D946 IonicContact CE1-OD2 2.87Å; H834-D946 PolarHBondContact CE1-OD2 3.15Å; H834-D946 IonicContact NE2-OD1 2.93Å |
| 835 | S | 67.7 | Low | 67.9 | Low | 57 Ų | 57 | 44.1 Ų | 44.1 | 40% | 0.399 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.6 | -38.5 | -179.8 | 54.9 | 0 | 0 | 0 | 0 | 111.7 | V833 E838 N839 | V833-S835 PolarHBondContact O-N 3.05Å; S835-E838 PolarHBondContact O-N 3.19Å; S835-N839 VanDerWaalsContact O-CB 3.32Å; S835-N839 WeakPolarHBondContact O-CB 3.49Å; S835-N839 PolarHBondContact O-N 2.92Å; S835-N839 PolarHBondContact O-ND2 3.07Å |
| 836 | Y | 61.5 | Low | 68.7 | Low | 49 Ų | 49 | 41.7 Ų | 41.7 | 19% | 0.192 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.9 | -44.3 | 177.1 | -60.4 | -78.7 | 0 | 0 | 0 | 111.8 | M663 T664 L667 V833 H834 E838 N839 L840 | M663-Y836 HydrophobicContact CG-CD1 4.36Å; M663-Y836 HydrophobicContact CG-CE1 3.97Å; M663-Y836 HydrophobicContact SD-CE1 3.99Å; T664-Y836 WeakPolarHBondContact OG1-CB 3.38Å; T664-Y836 PolarHBondContact OG1-O 2.81Å; L667-Y836 HydrophobicContact CD1-CD1 3.89Å; L667-Y836 HydrophobicContact CD1-CD2 4.13Å; L667-Y836 HydrophobicContact CD1-CE1 3.34Å; L667-Y836 HydrophobicContact CD1-CE2 3.62Å; L667-Y836 HydrophobicContact CD1-CG 4.25Å; L667-Y836 WeakPolarHBondContact CD1-OH 3.3Å; V833-Y836 WeakPolarHBondContact O-CB 3.35Å; V833-Y836 PolarHBondContact O-N 3.41Å; H834-Y836 PolarHBondContact O-N 2.88Å; Y836-E838 VanDerWaalsContact C-N 3.34Å; Y836-E838 PolarHBondContact O-N 3.25Å; Y836-N839 PolarHBondContact O-N 3.09Å; Y836-L840 WeakPolarHBondContact O-CB 3.46Å; Y836-L840 PolarHBondContact O-N 3.13Å |
| 837 | V | 75.1 | Confident | 69.2 | Low | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.2 | -42.8 | 174.7 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | V833 H834 L840 F841 I917 Y943 | V833-V837 HydrophobicContact CG2-CG2 4.33Å; V833-V837 WeakPolarHBondContact O-CG2 3.19Å; V833-V837 PolarHBondContact O-N 3.16Å; V833-V837 VanDerWaalsContact O-N 3.08Å; H834-V837 PolarHBondContact O-N 3.05Å; V837-L840 WeakPolarHBondContact O-CB 3.42Å; V837-L840 PolarHBondContact O-N 3.3Å; V837-F841 HydrophobicContact CG1-CD1 4.32Å; V837-F841 HydrophobicContact CG1-CD2 4.35Å; V837-F841 HydrophobicContact CG1-CE1 3.96Å; V837-F841 HydrophobicContact CG1-CE2 4.01Å; V837-F841 HydrophobicContact CG1-CZ 3.79Å; V837-F841 WeakPolarHBondContact O-CB 3.38Å; V837-F841 WeakPolarHBondContact O-CD1 3.32Å; V837-F841 VanDerWaalsContact O-CG 3.32Å; V837-F841 WeakPolarHBondContact O-CG 3.49Å; V837-F841 PolarHBondContact O-N 3.15Å; V837-I917 HydrophobicContact CG1-CG2 4.12Å; V837-I917 HydrophobicContact CG2-CD1 3.93Å; V837-I917 HydrophobicContact CG2-CG1 4.18Å; V837-I917 HydrophobicContact CG2-CG2 4.32Å; V837-Y943 HydrophobicContact CG1-CE1 4.22Å |
| 838 | E | 79.9 | Confident | 69.2 | Low | 30 Ų | 30 | 37.9 Ų | 37.9 | 14% | 0.14 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.1 | -44.8 | 177.2 | -177.2 | 173.1 | -170.7 | 0 | 0 | 111.7 | H834 S835 Y836 L840 F841 R842 K949 F950 | H834-E838 WeakPolarHBondContact O-CB 3.25Å; H834-E838 PolarHBondContact O-N 2.96Å; S835-E838 PolarHBondContact O-N 3.19Å; Y836-E838 VanDerWaalsContact C-N 3.34Å; Y836-E838 PolarHBondContact O-N 3.25Å; E838-L840 VanDerWaalsContact C-N 3.33Å; E838-L840 PolarHBondContact O-N 3.1Å; E838-F841 PolarHBondContact O-N 2.95Å; E838-R842 WeakPolarHBondContact O-CB 3.32Å; E838-R842 WeakPolarHBondContact O-CG 3.29Å; E838-R842 PolarHBondContact O-N 3.17Å; E838-R842 IonicContact OE1-CZ 3.52Å; E838-R842 IonicContact OE1-NE 3.5Å; E838-R842 IonicContact OE1-NH1 2.84Å; E838-R842 PolarHBondContact OE1-NH1 3.13Å; E838-R842 IonicContact OE1-NH2 3.58Å; E838-R842 PolarHBondContact OE1-NH2 3.34Å; E838-K949 IonicContact OE1-NZ 2.95Å; E838-K949 PolarHBondContact OE1-NZ 2.8Å; E838-F950 HydrophobicContact CG-CE1 4.23Å |
| 839 | N | 70.6 | Confident | 69.4 | Low | 84 Ų | 84 | 42.9 Ų | 42.9 | 45% | 0.449 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63 | -41 | 176.6 | -73 | -17.8 | 0 | 0 | 0 | 111.8 | A660 S835 Y836 S843 | A660-N839 HydrophobicContact CB-CB 4.33Å; S835-N839 VanDerWaalsContact O-CB 3.32Å; S835-N839 WeakPolarHBondContact O-CB 3.49Å; S835-N839 PolarHBondContact O-N 2.92Å; S835-N839 PolarHBondContact O-ND2 3.07Å; Y836-N839 PolarHBondContact O-N 3.09Å; N839-S843 WeakPolarHBondContact O-CB 3.3Å; N839-S843 PolarHBondContact O-N 3.12Å |
| 840 | L | 74.3 | Confident | 69.9 | Low | 8 Ų | 8 | 46.3 Ų | 46.3 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.7 | -52.3 | 174.3 | 169.2 | 56.6 | 0 | 0 | 0 | 111 | F661 T664 Y836 V837 E838 R842 S843 I844 L895 | F661-L840 HydrophobicContact CB-CD1 4.28Å; F661-L840 HydrophobicContact CD2-CD1 3.09Å; F661-L840 HydrophobicContact CD2-CG 4.41Å; F661-L840 HydrophobicContact CE2-CD1 3.61Å; F661-L840 HydrophobicContact CG-CD1 4.02Å; T664-L840 HydrophobicContact CG2-CD2 4.28Å; Y836-L840 WeakPolarHBondContact O-CB 3.46Å; Y836-L840 PolarHBondContact O-N 3.13Å; V837-L840 WeakPolarHBondContact O-CB 3.42Å; V837-L840 PolarHBondContact O-N 3.3Å; E838-L840 VanDerWaalsContact C-N 3.33Å; E838-L840 PolarHBondContact O-N 3.1Å; L840-R842 VanDerWaalsContact C-N 3.35Å; L840-R842 PolarHBondContact O-N 2.65Å; L840-S843 WeakPolarHBondContact O-CB 3.47Å; L840-S843 PolarHBondContact O-N 3.38Å; L840-S843 VanDerWaalsContact O-N 3.12Å; L840-S843 PolarHBondContact O-OG 2.86Å; L840-I844 HydrophobicContact CD1-CD1 4.03Å; L840-I844 HydrophobicContact CD1-CG1 4.45Å; L840-I844 HydrophobicContact CG-CD1 4.35Å; L840-I844 WeakPolarHBondContact O-CG1 3.31Å; L840-I844 PolarHBondContact O-N 2.84Å; L840-I844 VanDerWaalsContact O-N 3.13Å; L840-L895 HydrophobicContact CD1-CD2 4.36Å; L840-L895 HydrophobicContact CD2-CD2 3.61Å; L840-L895 HydrophobicContact CG-CD2 4.21Å |
| 841 | F | 84.1 | Confident | 69.9 | Low | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 179.6 | -78.7 | 13.1 | 0 | 0 | 0 | 111.8 | V837 E838 S843 I844 W845 I917 F921 F950 | V837-F841 HydrophobicContact CG1-CD1 4.32Å; V837-F841 HydrophobicContact CG1-CD2 4.35Å; V837-F841 HydrophobicContact CG1-CE1 3.96Å; V837-F841 HydrophobicContact CG1-CE2 4.01Å; V837-F841 HydrophobicContact CG1-CZ 3.79Å; V837-F841 WeakPolarHBondContact O-CB 3.38Å; V837-F841 WeakPolarHBondContact O-CD1 3.32Å; V837-F841 VanDerWaalsContact O-CG 3.32Å; V837-F841 WeakPolarHBondContact O-CG 3.49Å; V837-F841 PolarHBondContact O-N 3.15Å; E838-F841 PolarHBondContact O-N 2.95Å; F841-S843 VanDerWaalsContact C-N 3.28Å; F841-S843 PolarHBondContact O-N 2.69Å; F841-I844 WeakPolarHBondContact O-CB 3.1Å; F841-I844 PolarHBondContact O-N 3.46Å; F841-I844 VanDerWaalsContact O-N 3.07Å; F841-W845 HydrophobicContact CB-CE3 4.49Å; F841-W845 HydrophobicContact CB-CH2 3.5Å; F841-W845 HydrophobicContact CB-CZ2 3.6Å; F841-W845 HydrophobicContact CB-CZ3 3.96Å; F841-W845 AromaticContact CD2-CH2 3.57Å; F841-W845 HydrophobicContact CD2-CH2 3.57Å; F841-W845 HydrophobicContact CD2-CZ2 4.26Å; F841-W845 HydrophobicContact CD2-CZ3 4.23Å; F841-W845 AromaticContact CG-CH2 3.78Å; F841-W845 HydrophobicContact CG-CH2 3.78Å; F841-W845 HydrophobicContact CG-CZ2 4.34Å; F841-W845 HydrophobicContact CG-CZ3 4.16Å; F841-W845 PolarHBondContact O-N 3.17Å; F841-W845 VanDerWaalsContact O-N 3.09Å; F841-I917 HydrophobicContact CE1-CG2 3.94Å; F841-I917 HydrophobicContact CZ-CG2 4.06Å; F841-F921 AromaticContact CD1-CD2 3.63Å; F841-F921 HydrophobicContact CD1-CD2 3.63Å; F841-F921 HydrophobicContact CD1-CE2 4.34Å; F841-F921 HydrophobicContact CD2-CD2 4.43Å; F841-F921 HydrophobicContact CE1-CB 3.75Å; F841-F921 AromaticContact CE1-CD2 3.58Å; F841-F921 HydrophobicContact CE1-CD2 3.58Å; F841-F921 HydrophobicContact CE1-CG 4.11Å; F841-F921 HydrophobicContact CE2-CB 4.24Å; F841-F921 HydrophobicContact CE2-CD2 4.38Å; F841-F921 HydrophobicContact CG-CD2 4.09Å; F841-F921 HydrophobicContact CZ-CB 3.52Å; F841-F921 AromaticContact CZ-CD2 3.98Å; F841-F921 HydrophobicContact CZ-CD2 3.98Å; F841-F921 HydrophobicContact CZ-CG 4.25Å; F841-F950 HydrophobicContact CD2-CD2 4.06Å; F841-F950 AromaticContact CD2-CE2 3.94Å; F841-F950 HydrophobicContact CD2-CE2 3.94Å; F841-F950 HydrophobicContact CD2-CG 4.43Å; F841-F950 HydrophobicContact CD2-CZ 4.21Å; F841-F950 HydrophobicContact CE2-CD2 4.22Å; F841-F950 HydrophobicContact CE2-CE2 4.07Å |
| 842 | R | 81.3 | Confident | 70.1 | Confident | 97 Ų | 97 | 47.6 Ų | 47.6 | 37% | 0.366 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67.5 | -25.5 | 176 | -73.4 | 175.5 | 171 | 176.7 | -6.3 | 113.8 | E838 L840 I844 G846 E953 | E838-R842 WeakPolarHBondContact O-CB 3.32Å; E838-R842 WeakPolarHBondContact O-CG 3.29Å; E838-R842 PolarHBondContact O-N 3.17Å; E838-R842 IonicContact OE1-CZ 3.52Å; E838-R842 IonicContact OE1-NE 3.5Å; E838-R842 IonicContact OE1-NH1 2.84Å; E838-R842 PolarHBondContact OE1-NH1 3.13Å; E838-R842 IonicContact OE1-NH2 3.58Å; E838-R842 PolarHBondContact OE1-NH2 3.34Å; L840-R842 VanDerWaalsContact C-N 3.35Å; L840-R842 PolarHBondContact O-N 2.65Å; R842-I844 VanDerWaalsContact C-N 3.33Å; R842-G846 WeakPolarHBondContact O-CA 2.81Å; R842-G846 PolarHBondContact O-N 3.38Å; R842-E953 WeakPolarHBondContact CG-OE2 3.25Å; R842-E953 IonicContact CZ-OE1 3.56Å; R842-E953 IonicContact NE-OE1 3.69Å; R842-E953 PolarHBondContact NE-OE1 2.89Å; R842-E953 IonicContact NE-OE2 3.49Å; R842-E953 PolarHBondContact NE-OE2 2.94Å; R842-E953 IonicContact NH2-OE1 2.7Å; R842-E953 PolarHBondContact NH2-OE1 3.46Å |
| 843 | S | 72.3 | Confident | 71.2 | Confident | 18 Ų | 18 | 48.1 Ų | 48.1 | 13% | 0.126 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.4 | -29.8 | 171.7 | 78.3 | 0 | 0 | 0 | 0 | 112 | N657 N839 L840 F841 | N657-S843 PolarHBondContact ND2-O 3.29Å; N839-S843 WeakPolarHBondContact O-CB 3.3Å; N839-S843 PolarHBondContact O-N 3.12Å; L840-S843 WeakPolarHBondContact O-CB 3.47Å; L840-S843 PolarHBondContact O-N 3.38Å; L840-S843 VanDerWaalsContact O-N 3.12Å; L840-S843 PolarHBondContact O-OG 2.86Å; F841-S843 VanDerWaalsContact C-N 3.28Å; F841-S843 PolarHBondContact O-N 2.69Å |
| 844 | I | 75.5 | Confident | 71.8 | Confident | 12 Ų | 12 | 50 Ų | 50 | 6% | 0.062 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -75.8 | -47.8 | 179.5 | -67.8 | 166.5 | 0 | 0 | 0 | 111 | L840 F841 R842 W891 L895 F921 | L840-I844 HydrophobicContact CD1-CD1 4.03Å; L840-I844 HydrophobicContact CD1-CG1 4.45Å; L840-I844 HydrophobicContact CG-CD1 4.35Å; L840-I844 WeakPolarHBondContact O-CG1 3.31Å; L840-I844 PolarHBondContact O-N 2.84Å; L840-I844 VanDerWaalsContact O-N 3.13Å; F841-I844 WeakPolarHBondContact O-CB 3.1Å; F841-I844 PolarHBondContact O-N 3.46Å; F841-I844 VanDerWaalsContact O-N 3.07Å; R842-I844 VanDerWaalsContact C-N 3.33Å; I844-W891 HydrophobicContact CD1-CD2 4.37Å; I844-W891 HydrophobicContact CD1-CE3 4.07Å; I844-W891 HydrophobicContact CG1-CD2 4.16Å; I844-W891 HydrophobicContact CG1-CE3 3.93Å; I844-W891 HydrophobicContact CG1-CH2 4.41Å; I844-W891 HydrophobicContact CG1-CZ3 4.07Å; I844-W891 HydrophobicContact CG2-CD2 3.66Å; I844-W891 HydrophobicContact CG2-CE3 4.31Å; I844-W891 HydrophobicContact CG2-CG 3.76Å; I844-W891 HydrophobicContact CG2-CZ2 4.17Å; I844-L895 HydrophobicContact CD1-CD1 4.46Å; I844-F921 HydrophobicContact CB-CE2 4.33Å; I844-F921 HydrophobicContact CD1-CD2 4.42Å; I844-F921 HydrophobicContact CD1-CE2 3.7Å; I844-F921 HydrophobicContact CD1-CZ 4.15Å; I844-F921 HydrophobicContact CG2-CE2 3.97Å; I844-F921 HydrophobicContact CG2-CZ 3.83Å |
| 845 | W | 77.4 | Confident | 71.6 | Confident | 16 Ų | 16 | 48.3 Ų | 48.3 | 6% | 0.061 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -99.6 | 21.3 | 176.2 | 58.7 | 66.9 | 0 | 0 | 0 | 113.5 | F841 F921 F925 F950 E953 V954 Y957 | F841-W845 HydrophobicContact CB-CE3 4.49Å; F841-W845 HydrophobicContact CB-CH2 3.5Å; F841-W845 HydrophobicContact CB-CZ2 3.6Å; F841-W845 HydrophobicContact CB-CZ3 3.96Å; F841-W845 AromaticContact CD2-CH2 3.57Å; F841-W845 HydrophobicContact CD2-CH2 3.57Å; F841-W845 HydrophobicContact CD2-CZ2 4.26Å; F841-W845 HydrophobicContact CD2-CZ3 4.23Å; F841-W845 AromaticContact CG-CH2 3.78Å; F841-W845 HydrophobicContact CG-CH2 3.78Å; F841-W845 HydrophobicContact CG-CZ2 4.34Å; F841-W845 HydrophobicContact CG-CZ3 4.16Å; F841-W845 PolarHBondContact O-N 3.17Å; F841-W845 VanDerWaalsContact O-N 3.09Å; W845-F921 HydrophobicContact CE3-CE2 4.01Å; W845-F921 AromaticContact CZ3-CD2 3.93Å; W845-F921 HydrophobicContact CZ3-CD2 3.93Å; W845-F921 AromaticContact CZ3-CE2 3.73Å; W845-F921 HydrophobicContact CZ3-CE2 3.73Å; W845-F925 HydrophobicContact CE3-CE2 4.11Å; W845-F925 AromaticContact CE3-CZ 3.74Å; W845-F925 HydrophobicContact CE3-CZ 3.74Å; W845-F925 AromaticContact CZ3-CE2 3.88Å; W845-F925 HydrophobicContact CZ3-CE2 3.88Å; W845-F925 HydrophobicContact CZ3-CZ 4Å; W845-F950 HydrophobicContact CH2-CB 3.88Å; W845-F950 HydrophobicContact CH2-CD1 4.31Å; W845-F950 HydrophobicContact CH2-CG 4.1Å; W845-F950 HydrophobicContact CZ2-CB 4Å; W845-F950 AromaticContact CZ2-CD1 3.87Å; W845-F950 HydrophobicContact CZ2-CD1 3.87Å; W845-F950 HydrophobicContact CZ2-CG 4.1Å; W845-E953 PolarHBondContact NE1-OE2 3.32Å; W845-V954 HydrophobicContact CD2-CG2 4.02Å; W845-V954 HydrophobicContact CE3-CG2 3.73Å; W845-V954 HydrophobicContact CH2-CG2 4.19Å; W845-V954 HydrophobicContact CZ2-CG2 4.49Å; W845-V954 HydrophobicContact CZ3-CG2 3.82Å; W845-Y957 HydrophobicContact CB-CD1 3.94Å; W845-Y957 HydrophobicContact CB-CD2 3.98Å; W845-Y957 HydrophobicContact CB-CE1 4.31Å; W845-Y957 HydrophobicContact CB-CE2 4.32Å; W845-Y957 HydrophobicContact CB-CG 3.75Å; W845-Y957 WeakPolarHBondContact O-CD2 3.33Å |
| 846 | G | 72 | Confident | 72.1 | Confident | 25 Ų | 25 | 45.9 Ų | 45.9 | 26% | 0.258 | 23% | 0.233 | S | C | . | . | trans | -90.6 | 157.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R842 | R842-G846 WeakPolarHBondContact O-CA 2.81Å; R842-G846 PolarHBondContact O-N 3.38Å | ||
| 847 | M | 67.3 | Low | 73.1 | Confident | 31 Ų | 31 | 43.8 Ų | 43.8 | 15% | 0.153 | 23% | 0.225 | C | C | . | . | trans | -119.5 | 133.5 | 176.4 | -63.1 | -170.1 | -170.8 | 0 | 0 | 110.6 | A852 Y957 Q960 I961 Q964 | M847-A852 HydrophobicContact CE-CB 4.45Å; M847-A852 HydrophobicContact SD-CB 4.47Å; M847-Y957 HydrophobicContact CE-CD2 3.68Å; M847-Y957 HydrophobicContact CE-CE2 3.97Å; M847-Y957 HydrophobicContact CG-CE2 4.48Å; M847-Q960 HydrophobicContact CE-CB 3.46Å; M847-Q960 VanDerWaalsContact CE-CB 3.46Å; M847-Q960 HydrophobicContact SD-CB 4.14Å; M847-I961 HydrophobicContact CE-CB 4.47Å; M847-I961 HydrophobicContact CE-CD1 4.33Å; M847-I961 HydrophobicContact CE-CG1 3.42Å; M847-I961 VanDerWaalsContact CE-CG1 3.42Å; M847-Q964 PolarHBondContact SD-NE2 2.93Å | ||
| 848 | T | 59.3 | Low | 73.2 | Confident | 51 Ų | 51 | 45.4 Ų | 45.4 | 31% | 0.313 | 23% | 0.232 | S | C | . | . | B | Isolated β-bridge | trans | -82.3 | 125.8 | 171.6 | 45.4 | 0 | 0 | 0 | 0 | 108.7 | N850 K851 | T848-N850 PolarHBondContact O-N 3.21Å; T848-N850 VanDerWaalsContact O-N 3.13Å; T848-K851 PolarHBondContact O-N 3.21Å |
| 849 | Q | 61.3 | Low | 73.1 | Confident | 150 Ų | 150 | 45.3 Ų | 45.3 | 70% | 0.701 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 33.2 | -176.9 | -53.6 | -179.9 | -0.2 | 0 | 0 | 114.1 | H653 K851 | H653-Q849 PolarHBondContact O-NE2 3.18Å; H653-Q849 VanDerWaalsContact O-NE2 3.1Å; Q849-K851 PolarHBondContact O-N 3.27Å; Q849-K851 VanDerWaalsContact O-N 3.15Å |
| 850 | N | 67.8 | Low | 73.8 | Confident | 132 Ų | 132 | 41.3 Ų | 41.3 | 71% | 0.706 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 19.9 | -174.1 | -60.5 | -21.1 | 0 | 0 | 0 | 114.9 | T848 Q964 | T848-N850 PolarHBondContact O-N 3.21Å; T848-N850 VanDerWaalsContact O-N 3.13Å; N850-Q964 PolarHBondContact O-NE2 2.7Å |
| 851 | K | 69.9 | Low | 74.3 | Confident | 142 Ų | 142 | 42.5 Ų | 42.5 | 62% | 0.617 | 22% | 0.216 | S | C | * | . | B | Isolated β-bridge | trans | -109.7 | 136.4 | 173.9 | -68.2 | -173.8 | 178.3 | -175.3 | 0 | 110.3 | T848 Q849 | T848-K851 PolarHBondContact O-N 3.21Å; Q849-K851 PolarHBondContact O-N 3.27Å; Q849-K851 VanDerWaalsContact O-N 3.15Å |
| 852 | A | 71.1 | Confident | 74.2 | Confident | 12 Ų | 12 | 43.1 Ų | 43.1 | 10% | 0.099 | 22% | 0.218 | C | C | . | . | trans | -80.4 | 153.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | M847 L854 K857 I961 Q964 | M847-A852 HydrophobicContact CE-CB 4.45Å; M847-A852 HydrophobicContact SD-CB 4.47Å; A852-L854 PolarHBondContact O-N 2.88Å; A852-K857 HydrophobicContact CB-CB 4.44Å; A852-I961 HydrophobicContact CB-CD1 4.43Å; A852-I961 HydrophobicContact CB-CG1 3.9Å; A852-Q964 VanDerWaalsContact CB-OE1 3.29Å; A852-Q964 VanDerWaalsContact N-NE2 3.1Å | ||
| 853 | P | 76.1 | Confident | 74.1 | Confident | 44 Ų | 44 | 38.6 Ų | 38.6 | 29% | 0.286 | 20% | 0.201 | S | C | . | . | trans | -55.6 | 134.5 | 170.9 | -24.5 | 34.3 | 0 | 0 | 0 | 111.2 | L621 A855 I856 K857 | L621-P853 HydrophobicContact CD1-CB 3.76Å; L621-P853 HydrophobicContact CD2-CB 4.48Å; P853-A855 PolarHBondContact O-N 2.99Å; P853-A855 VanDerWaalsContact O-N 3.12Å; P853-I856 HydrophobicContact CB-CD1 4.18Å; P853-I856 HydrophobicContact CB-CG1 4.23Å; P853-I856 HydrophobicContact CG-CD1 3.89Å; P853-I856 HydrophobicContact CG-CG1 4.47Å; P853-I856 PolarHBondContact O-N 3.49Å; P853-K857 PolarHBondContact O-N 3.49Å | ||
| 854 | L | 70.1 | Confident | 74.8 | Confident | 55 Ų | 55 | 38.2 Ų | 38.2 | 29% | 0.288 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -48.9 | -43.4 | -174.7 | -81.7 | 159 | 0 | 0 | 0 | 112.7 | A852 K857 Y858 V967 F975 | A852-L854 PolarHBondContact O-N 2.88Å; L854-K857 PolarHBondContact O-N 3.21Å; L854-Y858 VanDerWaalsContact O-CB 3.29Å; L854-Y858 WeakPolarHBondContact O-CB 3.35Å; L854-Y858 PolarHBondContact O-N 3.3Å; L854-V967 HydrophobicContact CD2-CG1 3.89Å; L854-V967 HydrophobicContact CD2-CG2 3.87Å; L854-F975 HydrophobicContact CD1-CD2 4.16Å; L854-F975 HydrophobicContact CD1-CG 4.4Å |
| 855 | A | 68.7 | Low | 75.3 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.7 | -39 | 179 | 0 | 0 | 0 | 0 | 0 | 114.2 | I617 L621 P853 F859 F972 | I617-A855 HydrophobicContact CB-CB 4.33Å; I617-A855 HydrophobicContact CG2-CB 3.27Å; L621-A855 HydrophobicContact CD1-CB 3.96Å; P853-A855 PolarHBondContact O-N 2.99Å; P853-A855 VanDerWaalsContact O-N 3.12Å; A855-F859 WeakPolarHBondContact O-CB 3.42Å; A855-F859 PolarHBondContact O-N 3.21Å; A855-F972 HydrophobicContact CB-CE2 4.48Å |
| 856 | I | 78.2 | Confident | 75.2 | Confident | 7 Ų | 7 | 39.2 Ų | 39.2 | 4% | 0.036 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.4 | -44.6 | 178.2 | -62.2 | 179.2 | 0 | 0 | 0 | 109.3 | I618 P853 F859 F860 L886 I961 | I618-I856 HydrophobicContact CD1-CG1 3.95Å; I618-I856 HydrophobicContact CG1-CG1 4.42Å; P853-I856 HydrophobicContact CB-CD1 4.18Å; P853-I856 HydrophobicContact CB-CG1 4.23Å; P853-I856 HydrophobicContact CG-CD1 3.89Å; P853-I856 HydrophobicContact CG-CG1 4.47Å; P853-I856 PolarHBondContact O-N 3.49Å; I856-F859 PolarHBondContact O-N 2.63Å; I856-F860 HydrophobicContact CG2-CD2 3.97Å; I856-F860 HydrophobicContact CG2-CE1 4.47Å; I856-F860 HydrophobicContact CG2-CE2 3.82Å; I856-F860 HydrophobicContact CG2-CG 4.34Å; I856-F860 HydrophobicContact CG2-CZ 4.1Å; I856-F860 WeakPolarHBondContact O-CB 3.38Å; I856-F860 WeakPolarHBondContact O-CG 3.49Å; I856-F860 PolarHBondContact O-N 3.46Å; I856-L886 HydrophobicContact CD1-CD2 3.95Å; I856-L886 HydrophobicContact CG1-CD2 4.03Å; I856-L886 HydrophobicContact CG2-CD2 4.06Å; I856-I961 HydrophobicContact CG2-CD1 3.87Å |
| 857 | K | 82.8 | Confident | 75.6 | Confident | 5 Ų | 5 | 38 Ų | 38 | 2% | 0.022 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.9 | -53.7 | 177.5 | 176 | 56.7 | 175.2 | 162 | 0 | 111.3 | A852 P853 L854 F859 F860 D861 I961 Q964 P965 V967 | A852-K857 HydrophobicContact CB-CB 4.44Å; P853-K857 PolarHBondContact O-N 3.49Å; L854-K857 PolarHBondContact O-N 3.21Å; K857-F859 VanDerWaalsContact C-N 3.31Å; K857-F859 PolarHBondContact O-N 3.43Å; K857-F860 PolarHBondContact O-N 3.1Å; K857-D861 WeakPolarHBondContact CD-OD2 3.29Å; K857-D861 WeakPolarHBondContact CE-OD1 3.35Å; K857-D861 WeakPolarHBondContact CE-OD2 3.47Å; K857-D861 IonicContact NZ-OD1 2.69Å; K857-D861 PolarHBondContact NZ-OD1 3.5Å; K857-D861 IonicContact NZ-OD2 3.65Å; K857-D861 PolarHBondContact NZ-OD2 3.38Å; K857-D861 WeakPolarHBondContact O-CB 3.48Å; K857-D861 VanDerWaalsContact O-CG 3.29Å; K857-D861 PolarHBondContact O-N 3.17Å; K857-I961 HydrophobicContact CB-CG2 4.5Å; K857-I961 HydrophobicContact CD-CG2 3.77Å; K857-I961 WeakPolarHBondContact CD-O 3.44Å; K857-I961 WeakPolarHBondContact CE-O 3.49Å; K857-I961 PolarHBondContact NZ-O 3.01Å; K857-Q964 HydrophobicContact CD-CB 4.21Å; K857-Q964 VanDerWaalsContact CE-O 3.25Å; K857-Q964 WeakPolarHBondContact CE-O 3.29Å; K857-Q964 PolarHBondContact NZ-O 3.48Å; K857-P965 WeakPolarHBondContact CE-O 3.35Å; K857-V967 HydrophobicContact CB-CG2 4.22Å; K857-V967 HydrophobicContact CG-CG2 3.65Å |
| 858 | Y | 78.1 | Confident | 76.4 | Confident | 34 Ų | 34 | 42.7 Ų | 42.7 | 13% | 0.133 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.7 | -43.9 | 179.4 | -174.1 | -92.4 | 0 | 0 | 0 | 112.1 | T587 R591 L854 F862 V967 D969 F972 | T587-Y858 HydrophobicContact CG2-CE1 4.49Å; R591-Y858 PolarHBondContact NH1-OH 3.4Å; L854-Y858 VanDerWaalsContact O-CB 3.29Å; L854-Y858 WeakPolarHBondContact O-CB 3.35Å; L854-Y858 PolarHBondContact O-N 3.3Å; Y858-F862 WeakPolarHBondContact O-CB 3.46Å; Y858-F862 PolarHBondContact O-N 3.37Å; Y858-V967 HydrophobicContact CD2-CB 4.26Å; Y858-V967 HydrophobicContact CD2-CG1 4.29Å; Y858-D969 WeakPolarHBondContact CE2-OD1 3.19Å; Y858-D969 PolarHBondContact OH-OD1 3.28Å; Y858-F972 AromaticContact CD1-CD1 3.56Å; Y858-F972 HydrophobicContact CD1-CD1 3.56Å; Y858-F972 AromaticContact CD1-CE1 3.24Å; Y858-F972 HydrophobicContact CD1-CE1 3.24Å; Y858-F972 HydrophobicContact CD1-CE2 4.4Å; Y858-F972 HydrophobicContact CD1-CG 4.24Å; Y858-F972 AromaticContact CD1-CZ 3.74Å; Y858-F972 HydrophobicContact CD1-CZ 3.74Å; Y858-F972 HydrophobicContact CD2-CB 3.91Å; Y858-F972 AromaticContact CD2-CD1 3.67Å; Y858-F972 HydrophobicContact CD2-CD1 3.67Å; Y858-F972 HydrophobicContact CD2-CD2 4.29Å; Y858-F972 HydrophobicContact CD2-CE1 4.21Å; Y858-F972 AromaticContact CD2-CG 3.71Å; Y858-F972 HydrophobicContact CD2-CG 3.71Å; Y858-F972 AromaticContact CE1-CD1 3.54Å; Y858-F972 HydrophobicContact CE1-CD1 3.54Å; Y858-F972 AromaticContact CE1-CE1 3.42Å; Y858-F972 HydrophobicContact CE1-CE1 3.42Å; Y858-F972 VanDerWaalsContact CE1-CE1 3.42Å; Y858-F972 HydrophobicContact CE1-CZ 4.35Å; Y858-F972 HydrophobicContact CE2-CB 4.02Å; Y858-F972 AromaticContact CE2-CD1 3.65Å; Y858-F972 HydrophobicContact CE2-CD1 3.65Å; Y858-F972 HydrophobicContact CE2-CE1 4.35Å; Y858-F972 HydrophobicContact CE2-CG 4Å; Y858-F972 AromaticContact CG-CD1 3.63Å; Y858-F972 HydrophobicContact CG-CD1 3.63Å; Y858-F972 HydrophobicContact CG-CD2 4.09Å; Y858-F972 AromaticContact CG-CE1 3.68Å; Y858-F972 HydrophobicContact CG-CE1 3.68Å; Y858-F972 HydrophobicContact CG-CE2 4.18Å; Y858-F972 AromaticContact CG-CG 3.83Å; Y858-F972 HydrophobicContact CG-CG 3.83Å; Y858-F972 AromaticContact CG-CZ 3.98Å; Y858-F972 HydrophobicContact CG-CZ 3.98Å; Y858-F972 AromaticContact CZ-CD1 3.59Å; Y858-F972 AromaticContact CZ-CE1 3.99Å |
| 859 | F | 77.6 | Confident | 77.5 | Confident | 27 Ų | 27 | 46.1 Ų | 46.1 | 12% | 0.118 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -72.2 | -37.7 | -179.4 | -175.6 | -109.2 | 0 | 0 | 0 | 113.5 | L611 L614 A855 I856 K857 F862 L863 | L611-F859 HydrophobicContact CD2-CE1 4.13Å; L611-F859 HydrophobicContact CD2-CZ 3.79Å; L614-F859 HydrophobicContact CD1-CB 3.61Å; L614-F859 HydrophobicContact CD1-CD1 3.66Å; L614-F859 HydrophobicContact CD1-CD2 3.6Å; L614-F859 HydrophobicContact CD1-CE1 4.21Å; L614-F859 HydrophobicContact CD1-CE2 4.16Å; L614-F859 HydrophobicContact CD1-CG 3.31Å; L614-F859 HydrophobicContact CD1-CZ 4.44Å; L614-F859 HydrophobicContact CD2-CD1 3.68Å; L614-F859 HydrophobicContact CD2-CE1 3.8Å; L614-F859 HydrophobicContact CD2-CG 4.25Å; L614-F859 HydrophobicContact CD2-CZ 4.45Å; L614-F859 HydrophobicContact CG-CD1 4.34Å; L614-F859 HydrophobicContact CG-CG 4.44Å; A855-F859 WeakPolarHBondContact O-CB 3.42Å; A855-F859 PolarHBondContact O-N 3.21Å; I856-F859 PolarHBondContact O-N 2.63Å; K857-F859 VanDerWaalsContact C-N 3.31Å; K857-F859 PolarHBondContact O-N 3.43Å; F859-F862 HydrophobicContact CD2-CD1 4.2Å; F859-F862 HydrophobicContact CE2-CD1 4.17Å; F859-F862 HydrophobicContact CE2-CE1 4.48Å; F859-F862 WeakPolarHBondContact O-CB 3.38Å; F859-F862 PolarHBondContact O-N 3.19Å; F859-L863 HydrophobicContact CD1-CD1 4.19Å; F859-L863 HydrophobicContact CE1-CD1 3.72Å; F859-L863 HydrophobicContact CE1-CG 4.19Å; F859-L863 HydrophobicContact CZ-CD1 4.23Å; F859-L863 HydrophobicContact CZ-CD2 4.27Å; F859-L863 HydrophobicContact CZ-CG 4.3Å; F859-L863 WeakPolarHBondContact O-CG 3.43Å; F859-L863 PolarHBondContact O-N 3.07Å |
| 860 | F | 84.3 | Confident | 78.2 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71 | -35.2 | 176.4 | -77.7 | 5.6 | 0 | 0 | 0 | 112.5 | I856 K857 F862 L863 D864 K882 L886 Y958 I961 | I856-F860 HydrophobicContact CG2-CD2 3.97Å; I856-F860 HydrophobicContact CG2-CE1 4.47Å; I856-F860 HydrophobicContact CG2-CE2 3.82Å; I856-F860 HydrophobicContact CG2-CG 4.34Å; I856-F860 HydrophobicContact CG2-CZ 4.1Å; I856-F860 WeakPolarHBondContact O-CB 3.38Å; I856-F860 WeakPolarHBondContact O-CG 3.49Å; I856-F860 PolarHBondContact O-N 3.46Å; K857-F860 PolarHBondContact O-N 3.1Å; F860-F862 VanDerWaalsContact C-N 3.32Å; F860-L863 HydrophobicContact CD1-CD1 4.24Å; F860-L863 PolarHBondContact O-N 3.15Å; F860-D864 PolarHBondContact O-N 3.16Å; F860-K882 HydrophobicContact CB-CD 4.45Å; F860-K882 HydrophobicContact CD1-CB 4.39Å; F860-K882 HydrophobicContact CD1-CD 4.34Å; F860-K882 HydrophobicContact CD1-CG 3.84Å; F860-K882 HydrophobicContact CD2-CD 3.86Å; F860-K882 HydrophobicContact CD2-CG 4.2Å; F860-K882 HydrophobicContact CE1-CB 3.91Å; F860-K882 HydrophobicContact CE1-CG 3.89Å; F860-K882 HydrophobicContact CE2-CB 4.29Å; F860-K882 HydrophobicContact CE2-CD 4.15Å; F860-K882 HydrophobicContact CE2-CG 4.27Å; F860-K882 HydrophobicContact CG-CD 3.97Å; F860-K882 HydrophobicContact CG-CG 4Å; F860-K882 HydrophobicContact CZ-CB 3.85Å; F860-K882 HydrophobicContact CZ-CD 4.48Å; F860-K882 HydrophobicContact CZ-CG 4.1Å; F860-L886 HydrophobicContact CE1-CB 4.25Å; F860-L886 HydrophobicContact CE1-CD2 4.21Å; F860-L886 HydrophobicContact CZ-CB 4.33Å; F860-L886 HydrophobicContact CZ-CD2 3.83Å; F860-Y958 HydrophobicContact CD2-CD1 4.39Å; F860-Y958 AromaticContact CE2-CD1 3.64Å; F860-Y958 HydrophobicContact CE2-CD1 3.64Å; F860-Y958 AromaticContact CE2-CE1 3.46Å; F860-Y958 HydrophobicContact CE2-CE1 3.46Å; F860-Y958 VanDerWaalsContact CE2-CE1 3.46Å; F860-Y958 HydrophobicContact CZ-CD1 4.38Å; F860-Y958 AromaticContact CZ-CE1 3.76Å; F860-Y958 HydrophobicContact CZ-CE1 3.76Å; F860-I961 HydrophobicContact CB-CG2 4.24Å; F860-I961 HydrophobicContact CD2-CB 4.48Å; F860-I961 HydrophobicContact CD2-CD1 3.75Å; F860-I961 HydrophobicContact CD2-CG2 4.01Å; F860-I961 HydrophobicContact CE2-CD1 3.76Å |
| 861 | D | 85.6 | Confident | 78.9 | Confident | 34 Ų | 34 | 44.8 Ų | 44.8 | 18% | 0.182 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.3 | -39.8 | 172.1 | -72.8 | -6.3 | 0 | 0 | 0 | 111.1 | K857 D864 A865 | K857-D861 WeakPolarHBondContact CD-OD2 3.29Å; K857-D861 WeakPolarHBondContact CE-OD1 3.35Å; K857-D861 WeakPolarHBondContact CE-OD2 3.47Å; K857-D861 IonicContact NZ-OD1 2.69Å; K857-D861 PolarHBondContact NZ-OD1 3.5Å; K857-D861 IonicContact NZ-OD2 3.65Å; K857-D861 PolarHBondContact NZ-OD2 3.38Å; K857-D861 WeakPolarHBondContact O-CB 3.48Å; K857-D861 VanDerWaalsContact O-CG 3.29Å; K857-D861 PolarHBondContact O-N 3.17Å; D861-D864 PolarHBondContact O-N 3.14Å; D861-A865 WeakPolarHBondContact O-CB 3Å; D861-A865 PolarHBondContact O-N 3.39Å |
| 862 | F | 81.1 | Confident | 79.2 | Confident | 12 Ų | 12 | 40 Ų | 40 | 5% | 0.053 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.9 | -46.8 | 171.9 | 165 | -103.8 | 0 | 0 | 0 | 112.2 | R591 V594 E595 Y858 F859 F860 D864 A865 Q866 | R591-F862 HydrophobicContact CG-CD2 3.78Å; R591-F862 HydrophobicContact CG-CE2 3.42Å; R591-F862 VanDerWaalsContact CG-CE2 3.42Å; R591-F862 HydrophobicContact CG-CZ 4Å; V594-F862 HydrophobicContact CB-CE1 4.16Å; V594-F862 HydrophobicContact CB-CZ 4.09Å; V594-F862 HydrophobicContact CG1-CE1 3.54Å; V594-F862 HydrophobicContact CG1-CZ 3.71Å; E595-F862 HydrophobicContact CG-CE2 3.75Å; E595-F862 HydrophobicContact CG-CZ 3.91Å; E595-F862 WeakPolarHBondContact OE1-CE2 3.03Å; Y858-F862 WeakPolarHBondContact O-CB 3.46Å; Y858-F862 PolarHBondContact O-N 3.37Å; F859-F862 HydrophobicContact CD2-CD1 4.2Å; F859-F862 HydrophobicContact CE2-CD1 4.17Å; F859-F862 HydrophobicContact CE2-CE1 4.48Å; F859-F862 WeakPolarHBondContact O-CB 3.38Å; F859-F862 PolarHBondContact O-N 3.19Å; F860-F862 VanDerWaalsContact C-N 3.32Å; F862-D864 VanDerWaalsContact C-N 3.34Å; F862-D864 PolarHBondContact O-N 3.1Å; F862-A865 PolarHBondContact O-N 3.22Å; F862-Q866 HydrophobicContact CD2-CG 4.17Å; F862-Q866 HydrophobicContact CE1-CG 4.32Å; F862-Q866 HydrophobicContact CE2-CG 3.65Å; F862-Q866 HydrophobicContact CZ-CG 3.75Å; F862-Q866 WeakPolarHBondContact O-CG 3.39Å; F862-Q866 PolarHBondContact O-N 3.3Å |
| 863 | L | 80.1 | Confident | 79.5 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.3 | -38.6 | 177 | -68.5 | 177.6 | 0 | 0 | 0 | 112.7 | M598 F859 F860 Q866 A867 W881 K882 | M598-L863 HydrophobicContact CE-CD2 3.79Å; F859-L863 HydrophobicContact CD1-CD1 4.19Å; F859-L863 HydrophobicContact CE1-CD1 3.72Å; F859-L863 HydrophobicContact CE1-CG 4.19Å; F859-L863 HydrophobicContact CZ-CD1 4.23Å; F859-L863 HydrophobicContact CZ-CD2 4.27Å; F859-L863 HydrophobicContact CZ-CG 4.3Å; F859-L863 WeakPolarHBondContact O-CG 3.43Å; F859-L863 PolarHBondContact O-N 3.07Å; F860-L863 HydrophobicContact CD1-CD1 4.24Å; F860-L863 PolarHBondContact O-N 3.15Å; L863-Q866 PolarHBondContact O-N 2.86Å; L863-A867 PolarHBondContact O-N 3.17Å; L863-W881 HydrophobicContact CD1-CB 4.37Å; L863-W881 HydrophobicContact CD2-CE3 4.36Å; L863-K882 HydrophobicContact CD1-CG 4.04Å |
| 864 | D | 85.6 | Confident | 79.6 | Confident | 11 Ų | 11 | 46.9 Ų | 46.9 | 6% | 0.059 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.3 | -42.4 | 177 | -72.9 | -26 | 0 | 0 | 0 | 110.8 | F860 D861 F862 Q866 A867 E868 K882 | F860-D864 PolarHBondContact O-N 3.16Å; D861-D864 PolarHBondContact O-N 3.14Å; F862-D864 VanDerWaalsContact C-N 3.34Å; F862-D864 PolarHBondContact O-N 3.1Å; D864-Q866 PolarHBondContact O-N 3.26Å; D864-A867 WeakPolarHBondContact O-CB 3.43Å; D864-A867 PolarHBondContact O-N 2.66Å; D864-E868 WeakPolarHBondContact O-CG 3.39Å; D864-E868 PolarHBondContact O-N 3.15Å; D864-K882 VanDerWaalsContact OD1-CE 3.28Å; D864-K882 WeakPolarHBondContact OD1-CE 3.48Å; D864-K882 IonicContact OD1-NZ 3.05Å; D864-K882 PolarHBondContact OD1-NZ 2.96Å; D864-K882 IonicContact OD2-NZ 3.96Å; D864-K882 PolarHBondContact OD2-NZ 3.3Å |
| 865 | A | 86 | Confident | 80.2 | Confident | 39 Ų | 39 | 48 Ų | 48 | 32% | 0.322 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.3 | -37.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D861 F862 E868 N869 | D861-A865 WeakPolarHBondContact O-CB 3Å; D861-A865 PolarHBondContact O-N 3.39Å; F862-A865 PolarHBondContact O-N 3.22Å; A865-E868 PolarHBondContact O-N 2.85Å; A865-N869 WeakPolarHBondContact O-CB 3.48Å; A865-N869 PolarHBondContact O-N 3.1Å |
| 866 | Q | 75.4 | Confident | 80.8 | Confident | 10 Ų | 10 | 51.7 Ų | 51.7 | 5% | 0.047 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.7 | -41.6 | 173.7 | -70.4 | -52.5 | -39.9 | 0 | 0 | 112.1 | E595 M598 F862 L863 D864 E868 N869 M870 W881 | E595-Q866 PolarHBondContact OE1-NE2 3.19Å; M598-Q866 HydrophobicContact SD-CB 4.08Å; M598-Q866 HydrophobicContact SD-CG 4.13Å; F862-Q866 HydrophobicContact CD2-CG 4.17Å; F862-Q866 HydrophobicContact CE1-CG 4.32Å; F862-Q866 HydrophobicContact CE2-CG 3.65Å; F862-Q866 HydrophobicContact CZ-CG 3.75Å; F862-Q866 WeakPolarHBondContact O-CG 3.39Å; F862-Q866 PolarHBondContact O-N 3.3Å; L863-Q866 PolarHBondContact O-N 2.86Å; D864-Q866 PolarHBondContact O-N 3.26Å; Q866-E868 VanDerWaalsContact C-N 3.26Å; Q866-E868 PolarHBondContact O-N 3.45Å; Q866-N869 PolarHBondContact O-N 3.24Å; Q866-M870 WeakPolarHBondContact O-CB 3.38Å; Q866-M870 VanDerWaalsContact O-CG 3.28Å; Q866-M870 WeakPolarHBondContact O-CG 3.33Å; Q866-M870 PolarHBondContact O-N 2.77Å; Q866-W881 HydrophobicContact CB-CZ3 4.24Å |
| 867 | A | 80.6 | Confident | 80.8 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.5 | -39 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L863 D864 K871 I872 R878 W881 | L863-A867 PolarHBondContact O-N 3.17Å; D864-A867 WeakPolarHBondContact O-CB 3.43Å; D864-A867 PolarHBondContact O-N 2.66Å; A867-K871 PolarHBondContact O-N 3.2Å; A867-I872 HydrophobicContact CB-CB 4.27Å; A867-I872 WeakPolarHBondContact O-CB 3.49Å; A867-I872 PolarHBondContact O-N 3.12Å; A867-R878 HydrophobicContact CB-CG 3.66Å; A867-W881 HydrophobicContact CB-CH2 4.38Å; A867-W881 HydrophobicContact CB-CZ3 3.93Å |
| 868 | E | 85.4 | Confident | 80.7 | Confident | 129 Ų | 129 | 55.1 Ų | 55.1 | 60% | 0.603 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -66.2 | -46.3 | 174.8 | -72.7 | 175.5 | -172.4 | 0 | 0 | 112.5 | D864 A865 Q866 M870 K871 | D864-E868 WeakPolarHBondContact O-CG 3.39Å; D864-E868 PolarHBondContact O-N 3.15Å; A865-E868 PolarHBondContact O-N 2.85Å; Q866-E868 VanDerWaalsContact C-N 3.26Å; Q866-E868 PolarHBondContact O-N 3.45Å; E868-M870 VanDerWaalsContact C-N 3.28Å; E868-M870 PolarHBondContact O-N 3.08Å; E868-K871 WeakPolarHBondContact O-CA 3.33Å; E868-K871 PolarHBondContact O-N 2.69Å |
| 869 | N | 82.5 | Confident | 81 | Confident | 122 Ų | 122 | 54.5 Ų | 54.5 | 65% | 0.652 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -58.6 | -40.1 | 175.8 | -78 | -7.4 | 0 | 0 | 0 | 112.2 | A865 Q866 K871 | A865-N869 WeakPolarHBondContact O-CB 3.48Å; A865-N869 PolarHBondContact O-N 3.1Å; Q866-N869 PolarHBondContact O-N 3.24Å; N869-K871 PolarHBondContact O-N 2.89Å |
| 870 | M | 75.9 | Confident | 80.9 | Confident | 70 Ų | 70 | 56.8 Ų | 56.8 | 35% | 0.345 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 2.7 | 176.5 | -63.2 | -179.5 | 84.9 | 0 | 0 | 113.5 | M598 Q866 E868 I872 W881 | M598-M870 HydrophobicContact CB-SD 4.19Å; M598-M870 WeakPolarHBondContact O-CE 3.4Å; Q866-M870 WeakPolarHBondContact O-CB 3.38Å; Q866-M870 VanDerWaalsContact O-CG 3.28Å; Q866-M870 WeakPolarHBondContact O-CG 3.33Å; Q866-M870 PolarHBondContact O-N 2.77Å; E868-M870 VanDerWaalsContact C-N 3.28Å; E868-M870 PolarHBondContact O-N 3.08Å; M870-I872 VanDerWaalsContact C-N 3.26Å; M870-I872 HydrophobicContact CB-CD1 3.91Å; M870-I872 HydrophobicContact CB-CG1 3.93Å; M870-I872 PolarHBondContact O-N 3.43Å; M870-I872 HydrophobicContact SD-CD1 4.25Å; M870-W881 HydrophobicContact SD-CH2 3.85Å |
| 871 | K | 80.8 | Confident | 80.5 | Confident | 184 Ų | 184 | 57.4 Ų | 57.4 | 80% | 0.8 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 33.1 | -177.7 | -55.4 | 179.8 | -179.2 | 177.9 | 0 | 113.8 | A867 E868 N869 T873 | A867-K871 PolarHBondContact O-N 3.2Å; E868-K871 WeakPolarHBondContact O-CA 3.33Å; E868-K871 PolarHBondContact O-N 2.69Å; N869-K871 PolarHBondContact O-N 2.89Å; K871-T873 PolarHBondContact O-N 2.81Å |
| 872 | I | 76.3 | Confident | 80.3 | Confident | 42 Ų | 42 | 56.2 Ų | 56.2 | 22% | 0.215 | 30% | 0.295 | C | S | . | . | trans | -83.9 | 108.1 | 177.1 | -60 | 173.2 | 0 | 0 | 0 | 108.8 | A867 M870 V877 W881 | A867-I872 HydrophobicContact CB-CB 4.27Å; A867-I872 WeakPolarHBondContact O-CB 3.49Å; A867-I872 PolarHBondContact O-N 3.12Å; M870-I872 VanDerWaalsContact C-N 3.26Å; M870-I872 HydrophobicContact CB-CD1 3.91Å; M870-I872 HydrophobicContact CB-CG1 3.93Å; M870-I872 PolarHBondContact O-N 3.43Å; M870-I872 HydrophobicContact SD-CD1 4.25Å; I872-V877 HydrophobicContact CD1-CG1 4.35Å; I872-V877 HydrophobicContact CG2-CB 3.88Å; I872-V877 HydrophobicContact CG2-CG1 3.9Å; I872-V877 HydrophobicContact CG2-CG2 4.23Å; I872-W881 HydrophobicContact CD1-CH2 3.58Å; I872-W881 HydrophobicContact CD1-CZ2 3.57Å | ||
| 873 | T | 78 | Confident | 80.2 | Confident | 127 Ų | 127 | 56.1 Ų | 56.1 | 78% | 0.779 | 30% | 0.295 | S | S | * | . | trans | -88.6 | -21.7 | 179.8 | 52.5 | 0 | 0 | 0 | 0 | 113.2 | K871 P875 R878 | K871-T873 PolarHBondContact O-N 2.81Å; T873-P875 WeakPolarHBondContact O-CD 3.39Å; T873-R878 PolarHBondContact O-NH2 3.12Å; T873-R878 VanDerWaalsContact O-NH2 3.09Å | ||
| 874 | D | 78.5 | Confident | 79.8 | Confident | 74 Ų | 74 | 59.1 Ų | 59.1 | 40% | 0.396 | 31% | 0.311 | S | S | . | . | trans | -66.8 | 118.1 | -177.1 | -172.6 | -7.5 | 0 | 0 | 0 | 112 | D876 V877 | D874-D876 VanDerWaalsContact C-N 3.27Å; D874-D876 PolarHBondContact O-N 3.33Å; D874-D876 WeakPolarHBondContact OD1-CB 3.48Å; D874-D876 PolarHBondContact OD1-N 3.04Å; D874-V877 HydrophobicContact CB-CG2 3.93Å | ||
| 875 | P | 82.3 | Confident | 78.8 | Confident | 78 Ų | 78 | 58.8 Ų | 58.8 | 51% | 0.506 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.9 | -24.7 | 176.5 | 29.2 | -35.7 | 0 | 0 | 0 | 113.6 | T873 R878 H879 | T873-P875 WeakPolarHBondContact O-CD 3.39Å; P875-R878 PolarHBondContact O-N 3.13Å; P875-H879 PolarHBondContact O-N 2.75Å |
| 876 | D | 82.3 | Confident | 78.2 | Confident | 78 Ų | 78 | 57 Ų | 57 | 42% | 0.417 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -69.5 | -36.3 | -178.4 | -74.9 | -9.4 | 0 | 0 | 0 | 111.1 | D874 R878 H879 I880 L927 | D874-D876 VanDerWaalsContact C-N 3.27Å; D874-D876 PolarHBondContact O-N 3.33Å; D874-D876 WeakPolarHBondContact OD1-CB 3.48Å; D874-D876 PolarHBondContact OD1-N 3.04Å; D876-R878 PolarHBondContact O-N 2.91Å; D876-H879 WeakPolarHBondContact O-CB 3.49Å; D876-H879 PolarHBondContact O-N 2.91Å; D876-I880 WeakPolarHBondContact O-CB 3.45Å; D876-I880 VanDerWaalsContact O-CG1 3.24Å; D876-I880 WeakPolarHBondContact O-CG1 3.32Å; D876-I880 PolarHBondContact O-N 3.29Å; D876-L927 HydrophobicContact CB-CD1 3.61Å |
| 877 | V | 77.8 | Confident | 78.1 | Confident | 40 Ų | 40 | 56.7 Ų | 56.7 | 24% | 0.242 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 174.9 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | I872 D874 H879 I880 W881 | I872-V877 HydrophobicContact CD1-CG1 4.35Å; I872-V877 HydrophobicContact CG2-CB 3.88Å; I872-V877 HydrophobicContact CG2-CG1 3.9Å; I872-V877 HydrophobicContact CG2-CG2 4.23Å; D874-V877 HydrophobicContact CB-CG2 3.93Å; V877-H879 VanDerWaalsContact C-N 3.35Å; V877-H879 PolarHBondContact O-N 2.89Å; V877-I880 PolarHBondContact O-N 2.68Å; V877-W881 HydrophobicContact CG1-CD2 4.4Å; V877-W881 HydrophobicContact CG1-CZ2 3.9Å; V877-W881 VanDerWaalsContact CG1-NE1 3.3Å; V877-W881 VanDerWaalsContact O-CG 3.3Å; V877-W881 PolarHBondContact O-N 3Å |
| 878 | R | 79.8 | Confident | 77.5 | Confident | 44 Ų | 44 | 59.3 Ų | 59.3 | 17% | 0.166 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 176.4 | -70.7 | 179.4 | -81.9 | -167.9 | -6.2 | 112 | A867 T873 P875 D876 W881 K882 | A867-R878 HydrophobicContact CB-CG 3.66Å; T873-R878 PolarHBondContact O-NH2 3.12Å; T873-R878 VanDerWaalsContact O-NH2 3.09Å; P875-R878 PolarHBondContact O-N 3.13Å; D876-R878 PolarHBondContact O-N 2.91Å; R878-W881 PolarHBondContact O-N 3.25Å; R878-K882 WeakPolarHBondContact O-CG 3.42Å; R878-K882 PolarHBondContact O-N 2.96Å; R878-K882 VanDerWaalsContact O-N 3.12Å |
| 879 | H | 84.9 | Confident | 76.5 | Confident | 22 Ų | 22 | 58.7 Ų | 58.7 | 10% | 0.102 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 174.3 | -178.8 | 99.2 | 0 | 0 | 0 | 111.9 | P875 D876 V877 K882 T883 F925 L927 Y958 | P875-H879 PolarHBondContact O-N 2.75Å; D876-H879 WeakPolarHBondContact O-CB 3.49Å; D876-H879 PolarHBondContact O-N 2.91Å; V877-H879 VanDerWaalsContact C-N 3.35Å; V877-H879 PolarHBondContact O-N 2.89Å; H879-K882 PolarHBondContact O-N 3.35Å; H879-T883 PolarHBondContact NE2-OG1 3.01Å; H879-T883 WeakPolarHBondContact O-CB 3.27Å; H879-T883 PolarHBondContact O-N 3.27Å; H879-T883 PolarHBondContact O-OG1 3.44Å; H879-F925 PolarHBondContact NE2-O 2.81Å; H879-L927 HydrophobicContact CB-CD1 4.45Å; H879-L927 HydrophobicContact CB-CD2 4.42Å; H879-Y958 AromaticContact CE1-CD2 3.8Å; H879-Y958 AromaticContact CE1-CE2 3.64Å; H879-Y958 AromaticContact ND1-CD2 3.43Å; H879-Y958 WeakPolarHBondContact ND1-CD2 3.34Å; H879-Y958 AromaticContact ND1-CE2 3.6Å |
| 880 | I | 76.3 | Confident | 75.6 | Confident | 75 Ų | 75 | 53.6 Ų | 53.6 | 39% | 0.385 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 177.6 | -70.7 | 165.3 | 0 | 0 | 0 | 110.7 | D876 V877 T883 N884 L927 | D876-I880 WeakPolarHBondContact O-CB 3.45Å; D876-I880 VanDerWaalsContact O-CG1 3.24Å; D876-I880 WeakPolarHBondContact O-CG1 3.32Å; D876-I880 PolarHBondContact O-N 3.29Å; V877-I880 PolarHBondContact O-N 2.68Å; I880-T883 PolarHBondContact O-N 3.29Å; I880-N884 VanDerWaalsContact CG2-ND2 3.32Å; I880-N884 WeakPolarHBondContact CG2-ND2 3.49Å; I880-N884 VanDerWaalsContact O-CB 3.27Å; I880-N884 WeakPolarHBondContact O-CB 3.16Å; I880-N884 VanDerWaalsContact O-CG 3.29Å; I880-N884 PolarHBondContact O-N 2.94Å; I880-N884 PolarHBondContact O-ND2 3.48Å; I880-L927 HydrophobicContact CD1-CD1 4.08Å; I880-L927 HydrophobicContact CG1-CD1 3.86Å |
| 881 | W | 75.4 | Confident | 75.4 | Confident | 13 Ų | 13 | 51.7 Ų | 51.7 | 5% | 0.049 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.6 | -50.5 | 178.3 | -66.9 | 6.8 | 0 | 0 | 0 | 111.1 | M598 F606 L863 Q866 A867 M870 I872 V877 R878 T883 N884 S885 | M598-W881 HydrophobicContact CE-CD2 4.02Å; M598-W881 HydrophobicContact CE-CE3 3.57Å; M598-W881 HydrophobicContact CE-CH2 3.99Å; M598-W881 HydrophobicContact CE-CZ2 4.44Å; M598-W881 HydrophobicContact CE-CZ3 3.55Å; M598-W881 HydrophobicContact SD-CZ3 4.38Å; F606-W881 AromaticContact CD2-NE1 3.64Å; F606-W881 AromaticContact CE1-CD1 3.83Å; F606-W881 HydrophobicContact CE1-CD2 4.43Å; F606-W881 HydrophobicContact CE1-CG 4.18Å; F606-W881 AromaticContact CE1-NE1 3.94Å; F606-W881 AromaticContact CE2-CD1 3.66Å; F606-W881 HydrophobicContact CE2-CD2 4.12Å; F606-W881 AromaticContact CE2-CE2 3.2Å; F606-W881 HydrophobicContact CE2-CG 4.36Å; F606-W881 AromaticContact CE2-CZ2 3.44Å; F606-W881 HydrophobicContact CE2-CZ2 3.44Å; F606-W881 VanDerWaalsContact CE2-CZ2 3.44Å; F606-W881 AromaticContact CE2-NE1 2.91Å; F606-W881 AromaticContact CZ-CD1 3.41Å; F606-W881 VanDerWaalsContact CZ-CD1 3.41Å; F606-W881 AromaticContact CZ-CD2 3.6Å; F606-W881 HydrophobicContact CZ-CD2 3.6Å; F606-W881 AromaticContact CZ-CE2 3.16Å; F606-W881 HydrophobicContact CZ-CE3 4.41Å; F606-W881 AromaticContact CZ-CG 3.75Å; F606-W881 HydrophobicContact CZ-CG 3.75Å; F606-W881 HydrophobicContact CZ-CH2 4.42Å; F606-W881 AromaticContact CZ-CZ2 3.64Å; F606-W881 HydrophobicContact CZ-CZ2 3.64Å; F606-W881 AromaticContact CZ-NE1 3.07Å; L863-W881 HydrophobicContact CD1-CB 4.37Å; L863-W881 HydrophobicContact CD2-CE3 4.36Å; Q866-W881 HydrophobicContact CB-CZ3 4.24Å; A867-W881 HydrophobicContact CB-CH2 4.38Å; A867-W881 HydrophobicContact CB-CZ3 3.93Å; M870-W881 HydrophobicContact SD-CH2 3.85Å; I872-W881 HydrophobicContact CD1-CH2 3.58Å; I872-W881 HydrophobicContact CD1-CZ2 3.57Å; V877-W881 HydrophobicContact CG1-CD2 4.4Å; V877-W881 HydrophobicContact CG1-CZ2 3.9Å; V877-W881 VanDerWaalsContact CG1-NE1 3.3Å; V877-W881 VanDerWaalsContact O-CG 3.3Å; V877-W881 PolarHBondContact O-N 3Å; R878-W881 PolarHBondContact O-N 3.25Å; W881-T883 VanDerWaalsContact C-N 3.31Å; W881-T883 PolarHBondContact O-N 2.69Å; W881-N884 PolarHBondContact O-N 3.16Å; W881-S885 VanDerWaalsContact O-CB 3.26Å; W881-S885 WeakPolarHBondContact O-CB 3.38Å; W881-S885 PolarHBondContact O-N 3.5Å; W881-S885 PolarHBondContact O-OG 3.1Å |
| 882 | K | 81.1 | Confident | 75.1 | Confident | 9 Ų | 9 | 43.9 Ų | 43.9 | 4% | 0.039 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.1 | -39 | 177.8 | -68.7 | 175.7 | -179.4 | 178.6 | 0 | 112.5 | F860 L863 D864 R878 H879 S885 L886 P887 Y958 | F860-K882 HydrophobicContact CB-CD 4.45Å; F860-K882 HydrophobicContact CD1-CB 4.39Å; F860-K882 HydrophobicContact CD1-CD 4.34Å; F860-K882 HydrophobicContact CD1-CG 3.84Å; F860-K882 HydrophobicContact CD2-CD 3.86Å; F860-K882 HydrophobicContact CD2-CG 4.2Å; F860-K882 HydrophobicContact CE1-CB 3.91Å; F860-K882 HydrophobicContact CE1-CG 3.89Å; F860-K882 HydrophobicContact CE2-CB 4.29Å; F860-K882 HydrophobicContact CE2-CD 4.15Å; F860-K882 HydrophobicContact CE2-CG 4.27Å; F860-K882 HydrophobicContact CG-CD 3.97Å; F860-K882 HydrophobicContact CG-CG 4Å; F860-K882 HydrophobicContact CZ-CB 3.85Å; F860-K882 HydrophobicContact CZ-CD 4.48Å; F860-K882 HydrophobicContact CZ-CG 4.1Å; L863-K882 HydrophobicContact CD1-CG 4.04Å; D864-K882 VanDerWaalsContact OD1-CE 3.28Å; D864-K882 WeakPolarHBondContact OD1-CE 3.48Å; D864-K882 IonicContact OD1-NZ 3.05Å; D864-K882 PolarHBondContact OD1-NZ 2.96Å; D864-K882 IonicContact OD2-NZ 3.96Å; D864-K882 PolarHBondContact OD2-NZ 3.3Å; R878-K882 WeakPolarHBondContact O-CG 3.42Å; R878-K882 PolarHBondContact O-N 2.96Å; R878-K882 VanDerWaalsContact O-N 3.12Å; H879-K882 PolarHBondContact O-N 3.35Å; K882-S885 WeakPolarHBondContact CA-OG 3.26Å; K882-S885 PolarHBondContact O-OG 3Å; K882-L886 PolarHBondContact O-N 2.79Å; K882-P887 VanDerWaalsContact O-CD 3.24Å; K882-P887 WeakPolarHBondContact O-CD 3.42Å; K882-Y958 HydrophobicContact CB-CE1 4.17Å; K882-Y958 HydrophobicContact CB-CE2 3.96Å; K882-Y958 HydrophobicContact CD-CD1 4.48Å; K882-Y958 HydrophobicContact CD-CG 4.37Å |
| 883 | T | 79.8 | Confident | 74.6 | Confident | 10 Ų | 10 | 44.2 Ų | 44.2 | 6% | 0.061 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.1 | -46.1 | 178.4 | -61.7 | 0 | 0 | 0 | 0 | 112.1 | H879 I880 W881 S885 P887 L888 F925 Y958 | H879-T883 PolarHBondContact NE2-OG1 3.01Å; H879-T883 WeakPolarHBondContact O-CB 3.27Å; H879-T883 PolarHBondContact O-N 3.27Å; H879-T883 PolarHBondContact O-OG1 3.44Å; I880-T883 PolarHBondContact O-N 3.29Å; W881-T883 VanDerWaalsContact C-N 3.31Å; W881-T883 PolarHBondContact O-N 2.69Å; T883-S885 VanDerWaalsContact C-N 3.26Å; T883-S885 PolarHBondContact O-N 3.14Å; T883-P887 WeakPolarHBondContact O-CD 3.49Å; T883-L888 HydrophobicContact CG2-CD1 3.97Å; T883-L888 HydrophobicContact CG2-CG 3.96Å; T883-L888 WeakPolarHBondContact O-CG 3.43Å; T883-L888 PolarHBondContact O-N 3.2Å; T883-F925 HydrophobicContact CG2-CB 3.46Å; T883-F925 VanDerWaalsContact CG2-CB 3.46Å; T883-F925 HydrophobicContact CG2-CD1 4.5Å; T883-F925 HydrophobicContact CG2-CG 4.19Å; T883-Y958 PolarHBondContact N-OH 3.4Å; T883-Y958 PolarHBondContact OG1-OH 3.5Å |
| 884 | N | 70.9 | Confident | 74 | Confident | 64 Ų | 64 | 38.6 Ų | 38.6 | 34% | 0.342 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -71.9 | -21.6 | -179 | -75.2 | -16.8 | 0 | 0 | 0 | 112.9 | I880 W881 L888 R889 | I880-N884 VanDerWaalsContact CG2-ND2 3.32Å; I880-N884 WeakPolarHBondContact CG2-ND2 3.49Å; I880-N884 VanDerWaalsContact O-CB 3.27Å; I880-N884 WeakPolarHBondContact O-CB 3.16Å; I880-N884 VanDerWaalsContact O-CG 3.29Å; I880-N884 PolarHBondContact O-N 2.94Å; I880-N884 PolarHBondContact O-ND2 3.48Å; W881-N884 PolarHBondContact O-N 3.16Å; N884-L888 WeakPolarHBondContact OD1-CD1 3.43Å; N884-R889 WeakPolarHBondContact O-CG 3.42Å |
| 885 | S | 65.8 | Low | 73.4 | Confident | 4 Ų | 4 | 35.3 Ų | 35.3 | 3% | 0.028 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -90.5 | -37.7 | -178.6 | 66 | 0 | 0 | 0 | 0 | 113.6 | L611 W881 K882 T883 | L611-S885 WeakPolarHBondContact CD1-O 3.28Å; W881-S885 VanDerWaalsContact O-CB 3.26Å; W881-S885 WeakPolarHBondContact O-CB 3.38Å; W881-S885 PolarHBondContact O-N 3.5Å; W881-S885 PolarHBondContact O-OG 3.1Å; K882-S885 WeakPolarHBondContact CA-OG 3.26Å; K882-S885 PolarHBondContact O-OG 3Å; T883-S885 VanDerWaalsContact C-N 3.26Å; T883-S885 PolarHBondContact O-N 3.14Å |
| 886 | L | 71.7 | Confident | 72.8 | Confident | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | -70 | -172.4 | 172.6 | 63 | 0 | 0 | 0 | 113 | L614 I618 I856 F860 K882 L888 R889 F890 | L614-L886 HydrophobicContact CD2-CB 4.36Å; L614-L886 HydrophobicContact CD2-CD1 4.22Å; I618-L886 HydrophobicContact CD1-CD1 3.27Å; I618-L886 HydrophobicContact CD1-CD2 4.32Å; I618-L886 HydrophobicContact CD1-CG 4.41Å; I856-L886 HydrophobicContact CD1-CD2 3.95Å; I856-L886 HydrophobicContact CG1-CD2 4.03Å; I856-L886 HydrophobicContact CG2-CD2 4.06Å; F860-L886 HydrophobicContact CE1-CB 4.25Å; F860-L886 HydrophobicContact CE1-CD2 4.21Å; F860-L886 HydrophobicContact CZ-CB 4.33Å; F860-L886 HydrophobicContact CZ-CD2 3.83Å; K882-L886 PolarHBondContact O-N 2.79Å; L886-L888 PolarHBondContact O-N 3.3Å; L886-R889 PolarHBondContact O-N 3.18Å; L886-F890 HydrophobicContact CD1-CB 4.07Å; L886-F890 HydrophobicContact CD1-CD1 4.37Å; L886-F890 HydrophobicContact CD1-CG 4.47Å; L886-F890 WeakPolarHBondContact O-CB 3.49Å; L886-F890 PolarHBondContact O-N 3.04Å |
| 887 | P | 73.5 | Confident | 71.8 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.019 | 16% | 0.156 | C | C | . | . | I | π-helix | trans | -53.5 | -49 | -178.3 | -27.2 | 32.8 | 0 | 0 | 0 | 114.9 | K882 T883 R889 W891 I892 F921 F925 | K882-P887 VanDerWaalsContact O-CD 3.24Å; K882-P887 WeakPolarHBondContact O-CD 3.42Å; T883-P887 WeakPolarHBondContact O-CD 3.49Å; P887-R889 VanDerWaalsContact C-N 3.34Å; P887-R889 PolarHBondContact O-N 3.34Å; P887-W891 PolarHBondContact O-N 2.85Å; P887-I892 WeakPolarHBondContact O-CG1 3.37Å; P887-I892 PolarHBondContact O-N 3.39Å; P887-F921 HydrophobicContact CB-CE1 3.87Å; P887-F921 HydrophobicContact CB-CZ 4.34Å; P887-F925 HydrophobicContact CB-CD1 4.07Å; P887-F925 HydrophobicContact CB-CD2 3.97Å; P887-F925 HydrophobicContact CB-CE1 3.92Å; P887-F925 HydrophobicContact CB-CE2 3.84Å; P887-F925 HydrophobicContact CB-CG 4.11Å; P887-F925 HydrophobicContact CB-CZ 3.81Å; P887-F925 HydrophobicContact CG-CD1 3.6Å; P887-F925 HydrophobicContact CG-CD2 4.38Å; P887-F925 HydrophobicContact CG-CE1 3.32Å; P887-F925 HydrophobicContact CG-CE2 4.17Å; P887-F925 HydrophobicContact CG-CG 4.15Å; P887-F925 HydrophobicContact CG-CZ 3.64Å |
| 888 | L | 68.5 | Low | 71.1 | Confident | 54 Ų | 54 | 31 Ų | 31 | 28% | 0.283 | 15% | 0.145 | S | C | . | . | I | π-helix | trans | -78 | -17.3 | -172.5 | -63.9 | -174.4 | 0 | 0 | 0 | 114.3 | T883 N884 L886 I892 M922 | T883-L888 HydrophobicContact CG2-CD1 3.97Å; T883-L888 HydrophobicContact CG2-CG 3.96Å; T883-L888 WeakPolarHBondContact O-CG 3.43Å; T883-L888 PolarHBondContact O-N 3.2Å; N884-L888 WeakPolarHBondContact OD1-CD1 3.43Å; L886-L888 PolarHBondContact O-N 3.3Å; L888-I892 HydrophobicContact CD2-CG1 4.26Å; L888-M922 HydrophobicContact CD2-CB 3.98Å; L888-M922 HydrophobicContact CD2-CG 3.5Å; L888-M922 HydrophobicContact CD2-SD 3.91Å |
| 889 | R | 65.2 | Low | 69.9 | Low | 117 Ų | 117 | 32 Ų | 32 | 44% | 0.442 | 15% | 0.151 | S | C | . | . | I | π-helix | trans | -104.7 | -43.9 | -176 | -64 | -66.3 | 178.7 | -171.8 | -2 | 112.3 | L611 N884 L886 P887 | L611-R889 HydrophobicContact CD1-CB 4.22Å; L611-R889 HydrophobicContact CD1-CG 3.97Å; N884-R889 WeakPolarHBondContact O-CG 3.42Å; L886-R889 PolarHBondContact O-N 3.18Å; P887-R889 VanDerWaalsContact C-N 3.34Å; P887-R889 PolarHBondContact O-N 3.34Å |
| 890 | F | 62.8 | Low | 68.5 | Low | 14 Ų | 14 | 33.4 Ų | 33.4 | 6% | 0.061 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -93.5 | -65.7 | -178.9 | -178.7 | -99.1 | 0 | 0 | 0 | 110.9 | F502 I618 L886 I892 N893 I894 | F502-F890 HydrophobicContact CE1-CE2 4.42Å; F502-F890 AromaticContact CZ-CE2 3.92Å; F502-F890 HydrophobicContact CZ-CE2 3.92Å; I618-F890 HydrophobicContact CB-CE1 4.29Å; I618-F890 HydrophobicContact CB-CE2 4.32Å; I618-F890 HydrophobicContact CB-CZ 4.15Å; I618-F890 HydrophobicContact CG2-CD1 3.79Å; I618-F890 HydrophobicContact CG2-CE1 3.36Å; I618-F890 HydrophobicContact CG2-CE2 4.23Å; I618-F890 HydrophobicContact CG2-CG 4.4Å; I618-F890 HydrophobicContact CG2-CZ 3.61Å; L886-F890 HydrophobicContact CD1-CB 4.07Å; L886-F890 HydrophobicContact CD1-CD1 4.37Å; L886-F890 HydrophobicContact CD1-CG 4.47Å; L886-F890 WeakPolarHBondContact O-CB 3.49Å; L886-F890 PolarHBondContact O-N 3.04Å; F890-I892 PolarHBondContact O-N 2.88Å; F890-N893 WeakPolarHBondContact O-CB 3.22Å; F890-N893 PolarHBondContact O-N 3.21Å; F890-I894 HydrophobicContact CE1-CG1 4.19Å; F890-I894 HydrophobicContact CE2-CG1 4.4Å; F890-I894 HydrophobicContact CZ-CG1 4.13Å; F890-I894 WeakPolarHBondContact O-CG1 3.28Å; F890-I894 PolarHBondContact O-N 3.11Å; F890-I894 VanDerWaalsContact O-N 3.1Å |
| 891 | W | 71.4 | Confident | 67.2 | Low | 31 Ų | 31 | 31.9 Ų | 31.9 | 12% | 0.117 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -64.3 | -38.5 | -169.9 | -70.4 | 117 | 0 | 0 | 0 | 113.6 | I618 I844 P887 N893 I894 L895 F921 | I618-W891 HydrophobicContact CG2-CZ2 4.38Å; I844-W891 HydrophobicContact CD1-CD2 4.37Å; I844-W891 HydrophobicContact CD1-CE3 4.07Å; I844-W891 HydrophobicContact CG1-CD2 4.16Å; I844-W891 HydrophobicContact CG1-CE3 3.93Å; I844-W891 HydrophobicContact CG1-CH2 4.41Å; I844-W891 HydrophobicContact CG1-CZ3 4.07Å; I844-W891 HydrophobicContact CG2-CD2 3.66Å; I844-W891 HydrophobicContact CG2-CE3 4.31Å; I844-W891 HydrophobicContact CG2-CG 3.76Å; I844-W891 HydrophobicContact CG2-CZ2 4.17Å; P887-W891 PolarHBondContact O-N 2.85Å; W891-N893 VanDerWaalsContact C-N 3.29Å; W891-N893 PolarHBondContact O-N 3.06Å; W891-I894 PolarHBondContact O-N 3.24Å; W891-L895 WeakPolarHBondContact O-CB 3.26Å; W891-L895 WeakPolarHBondContact O-CG 3.47Å; W891-L895 PolarHBondContact O-N 3.23Å; W891-F921 HydrophobicContact CB-CE1 3.67Å; W891-F921 HydrophobicContact CB-CZ 3.72Å; W891-F921 HydrophobicContact CG-CZ 4.21Å |
| 892 | I | 74.9 | Confident | 65.9 | Low | 19 Ų | 19 | 32.6 Ų | 32.6 | 10% | 0.097 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.6 | -37.7 | 174.2 | -74 | -66.5 | 0 | 0 | 0 | 112.3 | P887 L888 F890 L895 K896 A918 F921 M922 | P887-I892 WeakPolarHBondContact O-CG1 3.37Å; P887-I892 PolarHBondContact O-N 3.39Å; L888-I892 HydrophobicContact CD2-CG1 4.26Å; F890-I892 PolarHBondContact O-N 2.88Å; I892-L895 PolarHBondContact O-N 2.87Å; I892-K896 HydrophobicContact CG2-CD 4.28Å; I892-K896 WeakPolarHBondContact O-CB 3.27Å; I892-K896 WeakPolarHBondContact O-CG 3.39Å; I892-K896 PolarHBondContact O-N 3.45Å; I892-A918 HydrophobicContact CD1-CB 3.87Å; I892-A918 WeakPolarHBondContact CD1-O 3.27Å; I892-F921 HydrophobicContact CD1-CB 4.28Å; I892-F921 HydrophobicContact CD1-CD1 3.63Å; I892-F921 HydrophobicContact CD1-CE1 4.46Å; I892-F921 HydrophobicContact CD1-CG 4.4Å; I892-F921 HydrophobicContact CG1-CD1 4.04Å; I892-F921 HydrophobicContact CG1-CE1 4.44Å; I892-M922 HydrophobicContact CD1-CG 3.27Å; I892-M922 HydrophobicContact CD1-SD 4.09Å; I892-M922 HydrophobicContact CG1-CG 3.66Å; I892-M922 HydrophobicContact CG1-SD 4.2Å |
| 893 | N | 66.3 | Low | 64.3 | Low | 49 Ų | 49 | 38.4 Ų | 38.4 | 26% | 0.262 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -67.5 | -41.8 | 179.7 | -162.4 | 21.3 | 0 | 0 | 0 | 110.8 | Q505 F890 W891 N897 | Q505-N893 PolarHBondContact NE2-ND2 3.44Å; Q505-N893 PolarHBondContact NE2-OD1 3.37Å; F890-N893 WeakPolarHBondContact O-CB 3.22Å; F890-N893 PolarHBondContact O-N 3.21Å; W891-N893 VanDerWaalsContact C-N 3.29Å; W891-N893 PolarHBondContact O-N 3.06Å; N893-N897 VanDerWaalsContact O-CB 3.28Å; N893-N897 WeakPolarHBondContact O-CB 3.33Å; N893-N897 PolarHBondContact O-N 2.96Å; N893-N897 PolarHBondContact O-ND2 3.27Å; N893-N897 PolarHBondContact OD1-ND2 2.85Å |
| 894 | I | 64.7 | Low | 62.9 | Low | 9 Ų | 9 | 39.2 Ų | 39.2 | 5% | 0.046 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.3 | -45.9 | 175.1 | -61.6 | -58.9 | 0 | 0 | 0 | 112 | F502 F661 F890 W891 K896 N897 V901 | F502-I894 HydrophobicContact CE2-CD1 3.49Å; F502-I894 VanDerWaalsContact CE2-CD1 3.49Å; F502-I894 HydrophobicContact CZ-CD1 3.71Å; F661-I894 HydrophobicContact CE1-CG2 4.24Å; F661-I894 HydrophobicContact CE2-CG2 3.99Å; F661-I894 HydrophobicContact CZ-CG2 3.55Å; F890-I894 HydrophobicContact CE1-CG1 4.19Å; F890-I894 HydrophobicContact CE2-CG1 4.4Å; F890-I894 HydrophobicContact CZ-CG1 4.13Å; F890-I894 WeakPolarHBondContact O-CG1 3.28Å; F890-I894 PolarHBondContact O-N 3.11Å; F890-I894 VanDerWaalsContact O-N 3.1Å; W891-I894 PolarHBondContact O-N 3.24Å; I894-K896 VanDerWaalsContact C-N 3.34Å; I894-K896 PolarHBondContact O-N 3.03Å; I894-N897 CarbonylContact O-C 3.53Å; I894-N897 PolarHBondContact O-N 2.88Å; I894-V901 HydrophobicContact CD1-CG2 3.98Å; I894-V901 HydrophobicContact CG2-CG2 4.06Å |
| 895 | L | 67 | Low | 61.8 | Low | 6 Ų | 6 | 44.2 Ų | 44.2 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63 | -39.4 | 179.9 | -74.7 | 168.4 | 0 | 0 | 0 | 112.3 | F661 L840 I844 W891 I892 A918 F921 | F661-L895 HydrophobicContact CE2-CD2 3.92Å; F661-L895 HydrophobicContact CZ-CD2 4.45Å; L840-L895 HydrophobicContact CD1-CD2 4.36Å; L840-L895 HydrophobicContact CD2-CD2 3.61Å; L840-L895 HydrophobicContact CG-CD2 4.21Å; I844-L895 HydrophobicContact CD1-CD1 4.46Å; W891-L895 WeakPolarHBondContact O-CB 3.26Å; W891-L895 WeakPolarHBondContact O-CG 3.47Å; W891-L895 PolarHBondContact O-N 3.23Å; I892-L895 PolarHBondContact O-N 2.87Å; L895-A918 HydrophobicContact CB-CB 4.49Å; L895-F921 HydrophobicContact CD1-CB 3.98Å; L895-F921 HydrophobicContact CD1-CD1 3.83Å; L895-F921 HydrophobicContact CD1-CD2 4Å; L895-F921 HydrophobicContact CD1-CE1 4.24Å; L895-F921 HydrophobicContact CD1-CE2 4.41Å; L895-F921 HydrophobicContact CD1-CG 3.67Å |
| 896 | K | 69.9 | Low | 61.2 | Low | 76 Ų | 76 | 46.5 Ų | 46.5 | 33% | 0.33 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -79.7 | -26.6 | 179 | -71.9 | -166.4 | 71.6 | -176.8 | 0 | 113.1 | I892 I894 P898 K906 S915 A918 | I892-K896 HydrophobicContact CG2-CD 4.28Å; I892-K896 WeakPolarHBondContact O-CB 3.27Å; I892-K896 WeakPolarHBondContact O-CG 3.39Å; I892-K896 PolarHBondContact O-N 3.45Å; I894-K896 VanDerWaalsContact C-N 3.34Å; I894-K896 PolarHBondContact O-N 3.03Å; K896-P898 VanDerWaalsContact C-CD 3.48Å; K896-P898 WeakPolarHBondContact O-CD 3.35Å; K896-K906 WeakPolarHBondContact O-CE 3.3Å; K896-K906 PolarHBondContact O-NZ 3.15Å; K896-S915 WeakPolarHBondContact CE-OG 3.1Å; K896-A918 HydrophobicContact CD-CB 4.23Å; K896-A918 HydrophobicContact CG-CB 3.64Å |
| 897 | N | 61 | Low | 60.2 | Low | 30 Ų | 30 | 48.7 Ų | 48.7 | 16% | 0.16 | 23% | 0.234 | C | C | . | . | trans | -128.4 | 68.6 | -172.7 | -58.2 | -60.2 | 0 | 0 | 0 | 111.1 | N893 I894 Q899 F900 K906 | N893-N897 VanDerWaalsContact O-CB 3.28Å; N893-N897 WeakPolarHBondContact O-CB 3.33Å; N893-N897 PolarHBondContact O-N 2.96Å; N893-N897 PolarHBondContact O-ND2 3.27Å; N893-N897 PolarHBondContact OD1-ND2 2.85Å; I894-N897 CarbonylContact O-C 3.53Å; I894-N897 PolarHBondContact O-N 2.88Å; N897-Q899 PolarHBondContact O-N 3.12Å; N897-Q899 PolarHBondContact OD1-NE2 3.46Å; N897-F900 HydrophobicContact CB-CD1 4.32Å; N897-F900 HydrophobicContact CB-CD2 3.43Å; N897-F900 VanDerWaalsContact CB-CD2 3.43Å; N897-F900 HydrophobicContact CB-CE1 4.1Å; N897-F900 HydrophobicContact CB-CE2 3.14Å; N897-F900 HydrophobicContact CB-CG 4Å; N897-F900 HydrophobicContact CB-CZ 3.51Å; N897-F900 WeakPolarHBondContact O-CB 3.27Å; N897-F900 WeakPolarHBondContact O-CG 3.33Å; N897-F900 PolarHBondContact O-N 3.03Å; N897-F900 VanDerWaalsContact O-N 3.09Å; N897-K906 PolarHBondContact OD1-NZ 3.47Å | ||
| 898 | P | 61.4 | Low | 59 | Low | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -64.2 | -20.2 | -179.1 | 31.2 | -40.2 | 0 | 0 | 0 | 112.9 | L665 K896 F900 V901 F902 M904 L914 | L665-P898 HydrophobicContact CD1-CB 3.57Å; L665-P898 HydrophobicContact CD2-CB 3.41Å; L665-P898 VanDerWaalsContact CD2-CB 3.41Å; L665-P898 HydrophobicContact CD2-CG 3.53Å; L665-P898 HydrophobicContact CG-CB 4.15Å; K896-P898 VanDerWaalsContact C-CD 3.48Å; K896-P898 WeakPolarHBondContact O-CD 3.35Å; P898-F900 PolarHBondContact O-N 2.87Å; P898-F900 VanDerWaalsContact O-N 3.15Å; P898-V901 PolarHBondContact O-N 2.88Å; P898-F902 HydrophobicContact CB-CD2 4.31Å; P898-F902 WeakPolarHBondContact O-CD2 3.41Å; P898-F902 PolarHBondContact O-N 3.49Å; P898-M904 HydrophobicContact CB-SD 3.59Å; P898-M904 VanDerWaalsContact CB-SD 3.59Å; P898-M904 HydrophobicContact CG-CE 4.08Å; P898-M904 HydrophobicContact CG-SD 3.56Å; P898-M904 VanDerWaalsContact CG-SD 3.56Å; P898-L914 HydrophobicContact CG-CD1 3.8Å |
| 899 | Q | 54.8 | Low | 58.2 | Low | 64 Ų | 64 | 56 Ų | 56 | 30% | 0.299 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -63.7 | -14.3 | 173.9 | 74.6 | -79.6 | 9.1 | 0 | 0 | 113.8 | N897 F902 M904 | N897-Q899 PolarHBondContact O-N 3.12Å; N897-Q899 PolarHBondContact OD1-NE2 3.46Å; Q899-F902 CarbonylContact C-O 3.57Å; Q899-F902 WeakPolarHBondContact CA-O 3.33Å; Q899-M904 HydrophobicContact CB-CG 4.16Å; Q899-M904 WeakPolarHBondContact CB-O 3.12Å |
| 900 | F | 56.3 | Low | 57.9 | Low | 51 Ų | 51 | 50.4 Ų | 50.4 | 22% | 0.224 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -75 | -16.8 | 170.7 | -59.3 | -22.2 | 0 | 0 | 0 | 112.8 | F502 Q505 N897 P898 | F502-F900 HydrophobicContact CD2-CB 4.31Å; F502-F900 HydrophobicContact CE2-CB 4.43Å; Q505-F900 HydrophobicContact CG-CE2 4.25Å; Q505-F900 HydrophobicContact CG-CZ 3.87Å; Q505-F900 VanDerWaalsContact NE2-CZ 3.26Å; N897-F900 HydrophobicContact CB-CD1 4.32Å; N897-F900 HydrophobicContact CB-CD2 3.43Å; N897-F900 VanDerWaalsContact CB-CD2 3.43Å; N897-F900 HydrophobicContact CB-CE1 4.1Å; N897-F900 HydrophobicContact CB-CE2 3.14Å; N897-F900 HydrophobicContact CB-CG 4Å; N897-F900 HydrophobicContact CB-CZ 3.51Å; N897-F900 WeakPolarHBondContact O-CB 3.27Å; N897-F900 WeakPolarHBondContact O-CG 3.33Å; N897-F900 PolarHBondContact O-N 3.03Å; N897-F900 VanDerWaalsContact O-N 3.09Å; P898-F900 PolarHBondContact O-N 2.87Å; P898-F900 VanDerWaalsContact O-N 3.15Å |
| 901 | V | 48.6 | Very low | 58 | Low | 44 Ų | 44 | 52.5 Ų | 52.5 | 27% | 0.267 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -32.4 | -176.5 | -177.5 | 0 | 0 | 0 | 0 | 110.9 | F497 I894 P898 | F497-V901 HydrophobicContact CE1-CG1 3.84Å; I894-V901 HydrophobicContact CD1-CG2 3.98Å; I894-V901 HydrophobicContact CG2-CG2 4.06Å; P898-V901 PolarHBondContact O-N 2.88Å |
| 902 | F | 48.6 | Very low | 57.4 | Low | 27 Ų | 27 | 52.9 Ų | 52.9 | 12% | 0.118 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -125.9 | 148.7 | -175.9 | -52.7 | -69.6 | 0 | 0 | 0 | 112.3 | I495 F497 F661 L665 P898 Q899 M904 | I495-F902 HydrophobicContact CG2-CD1 4.42Å; F497-F902 HydrophobicContact CE1-CD1 4.28Å; F497-F902 AromaticContact CE1-CE1 3.98Å; F497-F902 HydrophobicContact CE1-CE1 3.98Å; F497-F902 HydrophobicContact CZ-CD1 4.32Å; F497-F902 AromaticContact CZ-CE1 3.8Å; F497-F902 HydrophobicContact CZ-CE1 3.8Å; F661-F902 AromaticContact CD1-CE2 3.48Å; F661-F902 HydrophobicContact CD1-CE2 3.48Å; F661-F902 VanDerWaalsContact CD1-CE2 3.48Å; F661-F902 AromaticContact CD1-CZ 3.71Å; F661-F902 HydrophobicContact CD1-CZ 3.71Å; F661-F902 AromaticContact CE1-CE2 3.61Å; F661-F902 HydrophobicContact CE1-CE2 3.61Å; F661-F902 HydrophobicContact CE1-CZ 4.27Å; L665-F902 HydrophobicContact CD1-CD2 3.94Å; L665-F902 HydrophobicContact CD1-CE2 3.51Å; P898-F902 HydrophobicContact CB-CD2 4.31Å; P898-F902 WeakPolarHBondContact O-CD2 3.41Å; P898-F902 PolarHBondContact O-N 3.49Å; Q899-F902 CarbonylContact C-O 3.57Å; Q899-F902 WeakPolarHBondContact CA-O 3.33Å; F902-M904 VanDerWaalsContact C-N 3.26Å; F902-M904 HydrophobicContact CB-CG 4.19Å; F902-M904 HydrophobicContact CB-SD 4.31Å; F902-M904 HydrophobicContact CD2-SD 4.43Å; F902-M904 PolarHBondContact O-N 2.73Å |
| 903 | D | 46.4 | Very low | 57 | Low | 131 Ų | 131 | 53.7 Ų | 53.7 | 70% | 0.701 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -73 | 82 | 168 | -179.4 | 25.7 | 0 | 0 | 0 | 110.4 | R720 | R720-D903 PolarHBondContact NH1-O 3.44Å; R720-D903 PolarHBondContact NH2-O 3.43Å; R720-D903 IonicContact NH2-OD1 3.04Å; R720-D903 IonicContact NH2-OD2 2.75Å; R720-D903 PolarHBondContact NH2-OD2 3.13Å; R720-D903 VanDerWaalsContact NH2-OD2 3.08Å |
| 904 | M | 51.9 | Low | 57.3 | Low | 28 Ų | 28 | 51.8 Ų | 51.8 | 14% | 0.138 | 28% | 0.278 | C | S | . | . | trans | -139.3 | 143.4 | -178.9 | 68.5 | 177.8 | -63.3 | 0 | 0 | 112.2 | L665 M669 P898 Q899 F902 L910 | L665-M904 HydrophobicContact CD2-CE 4.07Å; L665-M904 HydrophobicContact CD2-SD 4.06Å; M669-M904 HydrophobicContact CE-CE 4Å; M669-M904 HydrophobicContact CG-CE 4.21Å; M669-M904 HydrophobicContact SD-CE 3.64Å; P898-M904 HydrophobicContact CB-SD 3.59Å; P898-M904 VanDerWaalsContact CB-SD 3.59Å; P898-M904 HydrophobicContact CG-CE 4.08Å; P898-M904 HydrophobicContact CG-SD 3.56Å; P898-M904 VanDerWaalsContact CG-SD 3.56Å; Q899-M904 HydrophobicContact CB-CG 4.16Å; Q899-M904 WeakPolarHBondContact CB-O 3.12Å; F902-M904 VanDerWaalsContact C-N 3.26Å; F902-M904 HydrophobicContact CB-CG 4.19Å; F902-M904 HydrophobicContact CB-SD 4.31Å; F902-M904 HydrophobicContact CD2-SD 4.43Å; F902-M904 PolarHBondContact O-N 2.73Å; M904-L910 HydrophobicContact CE-CD2 3.66Å | ||
| 905 | E | 47 | Very low | 57.9 | Low | 169 Ų | 169 | 53.2 Ų | 53.2 | 79% | 0.79 | 29% | 0.288 | S | S | * | . | trans | -86.3 | 124.5 | 171 | -167.8 | 173.4 | -176.1 | 0 | 0 | 109.9 | ||||
| 906 | K | 53.2 | Low | 58.4 | Low | 52 Ų | 52 | 54.8 Ų | 54.8 | 23% | 0.226 | 30% | 0.298 | C | S | . | . | trans | -89.9 | 115.3 | -178.1 | 178.6 | 177.5 | 168 | -177.6 | 0 | 110.3 | K896 N897 D911 | K896-K906 WeakPolarHBondContact O-CE 3.3Å; K896-K906 PolarHBondContact O-NZ 3.15Å; N897-K906 PolarHBondContact OD1-NZ 3.47Å; K906-D911 WeakPolarHBondContact CE-OD1 3.15Å; K906-D911 IonicContact NZ-OD1 3.7Å; K906-D911 PolarHBondContact NZ-OD1 3.46Å | ||
| 907 | T | 50.3 | Low | 58.9 | Low | 49 Ų | 49 | 51.6 Ų | 51.6 | 30% | 0.301 | 29% | 0.285 | S | S | . | . | trans | -79.5 | 155 | 175.6 | 75.7 | 0 | 0 | 0 | 0 | 111.6 | D672 H909 L910 D911 | D672-T907 PolarHBondContact OD2-OG1 3.21Å; T907-H909 PolarHBondContact O-N 3.04Å; T907-L910 PolarHBondContact O-N 3.24Å; T907-L910 VanDerWaalsContact OG1-CB 3.27Å; T907-L910 WeakPolarHBondContact OG1-CB 3.32Å; T907-L910 PolarHBondContact OG1-N 3.34Å; T907-L910 VanDerWaalsContact OG1-N 3.07Å; T907-D911 PolarHBondContact O-N 3.08Å | ||
| 908 | P | 49.2 | Very low | 59.9 | Low | 120 Ų | 120 | 50.2 Ų | 50.2 | 78% | 0.779 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61.1 | -29.3 | 174.3 | -24.8 | 34.3 | 0 | 0 | 0 | 113.9 | G912 | P908-G912 PolarHBondContact O-N 3.42Å |
| 909 | H | 50.8 | Low | 61 | Low | 89 Ų | 89 | 52.7 Ų | 52.7 | 41% | 0.412 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -73 | -45.8 | 177.5 | -175.6 | -93.1 | 0 | 0 | 0 | 111.3 | D672 T907 D911 G912 C913 | D672-H909 IonicContact OD1-CE1 2.79Å; D672-H909 IonicContact OD1-CG 2.63Å; D672-H909 IonicContact OD1-ND1 2.86Å; D672-H909 PolarHBondContact OD1-ND1 3.24Å; T907-H909 PolarHBondContact O-N 3.04Å; H909-D911 VanDerWaalsContact C-N 3.27Å; H909-D911 PolarHBondContact O-N 2.83Å; H909-G912 WeakPolarHBondContact O-CA 3.33Å; H909-G912 PolarHBondContact O-N 3.18Å; H909-C913 PolarHBondContact O-N 3.46Å; H909-C913 VanDerWaalsContact O-N 3.08Å |
| 910 | L | 59 | Low | 62.6 | Low | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.4 | -39.8 | 173.8 | -175.1 | 72 | 0 | 0 | 0 | 111.6 | L668 M669 M904 T907 G912 C913 L914 | L668-L910 HydrophobicContact CB-CD1 3.83Å; M669-L910 HydrophobicContact SD-CD1 4.11Å; M669-L910 HydrophobicContact SD-CD2 3.41Å; M669-L910 WeakPolarHBondContact SD-CD2 3.34Å; M669-L910 HydrophobicContact SD-CG 4.29Å; M904-L910 HydrophobicContact CE-CD2 3.66Å; T907-L910 PolarHBondContact O-N 3.24Å; T907-L910 VanDerWaalsContact OG1-CB 3.27Å; T907-L910 WeakPolarHBondContact OG1-CB 3.32Å; T907-L910 PolarHBondContact OG1-N 3.34Å; T907-L910 VanDerWaalsContact OG1-N 3.07Å; L910-G912 VanDerWaalsContact C-N 3.27Å; L910-G912 PolarHBondContact O-N 3.36Å; L910-C913 PolarHBondContact O-N 3.07Å; L910-L914 HydrophobicContact CD1-CD1 4.41Å; L910-L914 HydrophobicContact CD1-CG 4.37Å; L910-L914 HydrophobicContact CD2-CD1 4.21Å; L910-L914 HydrophobicContact CG-CD1 3.84Å; L910-L914 HydrophobicContact CG-CG 4.2Å; L910-L914 WeakPolarHBondContact O-CB 3.47Å; L910-L914 VanDerWaalsContact O-CG 3.3Å; L910-L914 WeakPolarHBondContact O-CG 3.44Å; L910-L914 PolarHBondContact O-N 3.4Å |
| 911 | D | 64.9 | Low | 64.1 | Low | 58 Ų | 58 | 47.3 Ų | 47.3 | 31% | 0.31 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.7 | -40.3 | 173.8 | -170.1 | 34.7 | 0 | 0 | 0 | 112.5 | K906 T907 H909 S915 | K906-D911 WeakPolarHBondContact CE-OD1 3.15Å; K906-D911 IonicContact NZ-OD1 3.7Å; K906-D911 PolarHBondContact NZ-OD1 3.46Å; T907-D911 PolarHBondContact O-N 3.08Å; H909-D911 VanDerWaalsContact C-N 3.27Å; H909-D911 PolarHBondContact O-N 2.83Å; D911-S915 WeakPolarHBondContact O-CB 3.38Å; D911-S915 PolarHBondContact O-N 3.35Å; D911-S915 PolarHBondContact O-OG 2.91Å |
| 912 | G | 58.6 | Low | 66 | Low | 39 Ų | 39 | 48 Ų | 48 | 40% | 0.402 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.5 | -49.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | P908 H909 L910 S915 V916 | P908-G912 PolarHBondContact O-N 3.42Å; H909-G912 WeakPolarHBondContact O-CA 3.33Å; H909-G912 PolarHBondContact O-N 3.18Å; L910-G912 VanDerWaalsContact C-N 3.27Å; L910-G912 PolarHBondContact O-N 3.36Å; G912-S915 PolarHBondContact O-N 3.05Å; G912-V916 WeakPolarHBondContact O-CG2 3.42Å; G912-V916 PolarHBondContact O-N 3.46Å; G912-V916 VanDerWaalsContact O-N 3.16Å |
| 913 | C | 67.4 | Low | 67.9 | Low | 37 Ų | 37 | 47.7 Ų | 47.7 | 25% | 0.25 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.7 | -47.9 | 177.9 | -67.9 | 0 | 0 | 0 | 0 | 112.3 | L668 H909 L910 S915 V916 I917 | L668-C913 HydrophobicContact CD2-CB 4.35Å; H909-C913 PolarHBondContact O-N 3.46Å; H909-C913 VanDerWaalsContact O-N 3.08Å; L910-C913 PolarHBondContact O-N 3.07Å; C913-S915 VanDerWaalsContact C-N 3.28Å; C913-S915 PolarHBondContact O-N 3.38Å; C913-V916 WeakPolarHBondContact O-CB 3.43Å; C913-V916 PolarHBondContact O-N 3.37Å; C913-V916 VanDerWaalsContact O-N 3.14Å; C913-I917 PolarHBondContact O-N 3.49Å; C913-I917 VanDerWaalsContact O-N 3.13Å |
| 914 | L | 72.1 | Confident | 70.1 | Confident | 9 Ų | 9 | 41.5 Ų | 41.5 | 5% | 0.047 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64 | -34.1 | 178 | -69.1 | 174.4 | 0 | 0 | 0 | 111.8 | L665 L668 P898 L910 V916 I917 A918 | L665-L914 HydrophobicContact CD2-CD2 4.43Å; L668-L914 HydrophobicContact CD1-CD2 3.87Å; P898-L914 HydrophobicContact CG-CD1 3.8Å; L910-L914 HydrophobicContact CD1-CD1 4.41Å; L910-L914 HydrophobicContact CD1-CG 4.37Å; L910-L914 HydrophobicContact CD2-CD1 4.21Å; L910-L914 HydrophobicContact CG-CD1 3.84Å; L910-L914 HydrophobicContact CG-CG 4.2Å; L910-L914 WeakPolarHBondContact O-CB 3.47Å; L910-L914 VanDerWaalsContact O-CG 3.3Å; L910-L914 WeakPolarHBondContact O-CG 3.44Å; L910-L914 PolarHBondContact O-N 3.4Å; L914-V916 VanDerWaalsContact C-N 3.34Å; L914-V916 PolarHBondContact O-N 3.45Å; L914-I917 PolarHBondContact O-N 3.09Å; L914-A918 WeakPolarHBondContact O-CB 3.5Å; L914-A918 PolarHBondContact O-N 3.35Å |
| 915 | S | 77.1 | Confident | 71.9 | Confident | 39 Ų | 39 | 40.4 Ų | 40.4 | 27% | 0.273 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.6 | -35.8 | 174.3 | -68.6 | 0 | 0 | 0 | 0 | 112.6 | K896 D911 G912 C913 Q919 | K896-S915 WeakPolarHBondContact CE-OG 3.1Å; D911-S915 WeakPolarHBondContact O-CB 3.38Å; D911-S915 PolarHBondContact O-N 3.35Å; D911-S915 PolarHBondContact O-OG 2.91Å; G912-S915 PolarHBondContact O-N 3.05Å; C913-S915 VanDerWaalsContact C-N 3.28Å; C913-S915 PolarHBondContact O-N 3.38Å; S915-Q919 WeakPolarHBondContact O-CB 3.5Å; S915-Q919 PolarHBondContact O-N 3.15Å |
| 916 | V | 78.3 | Confident | 73.8 | Confident | 39 Ų | 39 | 34.6 Ų | 34.6 | 24% | 0.236 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66 | -45.7 | 173.8 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | G912 C913 L914 Q919 A920 N939 Y943 | G912-V916 WeakPolarHBondContact O-CG2 3.42Å; G912-V916 PolarHBondContact O-N 3.46Å; G912-V916 VanDerWaalsContact O-N 3.16Å; C913-V916 WeakPolarHBondContact O-CB 3.43Å; C913-V916 PolarHBondContact O-N 3.37Å; C913-V916 VanDerWaalsContact O-N 3.14Å; L914-V916 VanDerWaalsContact C-N 3.34Å; L914-V916 PolarHBondContact O-N 3.45Å; V916-Q919 PolarHBondContact O-N 2.76Å; V916-A920 PolarHBondContact O-N 3.39Å; V916-N939 HydrophobicContact CB-CB 4.48Å; V916-N939 HydrophobicContact CG1-CB 4.05Å; V916-N939 HydrophobicContact CG2-CB 3.95Å; V916-Y943 HydrophobicContact CG1-CD2 4.44Å; V916-Y943 HydrophobicContact CG1-CE2 4.11Å |
| 917 | I | 80.3 | Confident | 75.2 | Confident | 9 Ų | 9 | 34.8 Ų | 34.8 | 5% | 0.046 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.9 | -44.9 | 178 | -64.4 | 168 | 0 | 0 | 0 | 110.8 | L668 V837 F841 C913 L914 Q919 A920 F921 | L668-I917 HydrophobicContact CD1-CD1 3.96Å; L668-I917 HydrophobicContact CD2-CD1 4.07Å; V837-I917 HydrophobicContact CG1-CG2 4.12Å; V837-I917 HydrophobicContact CG2-CD1 3.93Å; V837-I917 HydrophobicContact CG2-CG1 4.18Å; V837-I917 HydrophobicContact CG2-CG2 4.32Å; F841-I917 HydrophobicContact CE1-CG2 3.94Å; F841-I917 HydrophobicContact CZ-CG2 4.06Å; C913-I917 PolarHBondContact O-N 3.49Å; C913-I917 VanDerWaalsContact O-N 3.13Å; L914-I917 PolarHBondContact O-N 3.09Å; I917-Q919 VanDerWaalsContact C-N 3.28Å; I917-Q919 PolarHBondContact O-N 2.8Å; I917-A920 PolarHBondContact O-N 2.82Å; I917-A920 VanDerWaalsContact O-N 3.16Å; I917-F921 PolarHBondContact O-N 2.8Å |
| 918 | A | 81.6 | Confident | 76.7 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.5 | -38.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | I892 L895 K896 L914 F921 M922 | I892-A918 HydrophobicContact CD1-CB 3.87Å; I892-A918 WeakPolarHBondContact CD1-O 3.27Å; L895-A918 HydrophobicContact CB-CB 4.49Å; K896-A918 HydrophobicContact CD-CB 4.23Å; K896-A918 HydrophobicContact CG-CB 3.64Å; L914-A918 WeakPolarHBondContact O-CB 3.5Å; L914-A918 PolarHBondContact O-N 3.35Å; A918-F921 WeakPolarHBondContact O-CB 3.34Å; A918-F921 PolarHBondContact O-N 3.36Å; A918-M922 WeakPolarHBondContact O-CG 3.37Å; A918-M922 PolarHBondContact O-N 3.22Å |
| 919 | Q | 84.8 | Confident | 77.8 | Confident | 51 Ų | 51 | 39.2 Ų | 39.2 | 24% | 0.238 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.6 | -44.8 | 173.9 | -173.3 | 62.7 | 57.7 | 0 | 0 | 112 | S915 V916 I917 F921 M922 D923 | S915-Q919 WeakPolarHBondContact O-CB 3.5Å; S915-Q919 PolarHBondContact O-N 3.15Å; V916-Q919 PolarHBondContact O-N 2.76Å; I917-Q919 VanDerWaalsContact C-N 3.28Å; I917-Q919 PolarHBondContact O-N 2.8Å; Q919-F921 VanDerWaalsContact C-N 3.28Å; Q919-F921 PolarHBondContact O-N 3.14Å; Q919-M922 HydrophobicContact CB-CE 4.44Å; Q919-M922 PolarHBondContact O-N 3.44Å; Q919-M922 VanDerWaalsContact OE1-CE 3.27Å; Q919-D923 PolarHBondContact NE2-OD1 3.26Å; Q919-D923 WeakPolarHBondContact O-CB 3.22Å; Q919-D923 VanDerWaalsContact O-CG 3.27Å; Q919-D923 PolarHBondContact O-N 3.25Å |
| 920 | A | 87.3 | Confident | 78.8 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 3% | 0.025 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.6 | -37.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | V916 I917 D923 S924 Y943 I947 | V916-A920 PolarHBondContact O-N 3.39Å; I917-A920 PolarHBondContact O-N 2.82Å; I917-A920 VanDerWaalsContact O-N 3.16Å; A920-D923 PolarHBondContact O-N 3.14Å; A920-S924 PolarHBondContact O-N 2.8Å; A920-S924 VanDerWaalsContact O-N 3.15Å; A920-S924 PolarHBondContact O-OG 2.85Å; A920-Y943 HydrophobicContact CB-CD1 4.19Å; A920-Y943 HydrophobicContact CB-CD2 3.84Å; A920-Y943 HydrophobicContact CB-CE2 4.44Å; A920-Y943 HydrophobicContact CB-CG 3.7Å; A920-I947 HydrophobicContact CB-CD1 4.21Å; A920-I947 WeakPolarHBondContact O-CD1 3.41Å |
| 921 | F | 89.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61 | -50.5 | 172.3 | -174.8 | -98.7 | 0 | 0 | 0 | 111.1 | F841 I844 W845 P887 W891 I892 L895 I917 A918 Q919 D923 S924 F925 | F841-F921 AromaticContact CD1-CD2 3.63Å; F841-F921 HydrophobicContact CD1-CD2 3.63Å; F841-F921 HydrophobicContact CD1-CE2 4.34Å; F841-F921 HydrophobicContact CD2-CD2 4.43Å; F841-F921 HydrophobicContact CE1-CB 3.75Å; F841-F921 AromaticContact CE1-CD2 3.58Å; F841-F921 HydrophobicContact CE1-CD2 3.58Å; F841-F921 HydrophobicContact CE1-CG 4.11Å; F841-F921 HydrophobicContact CE2-CB 4.24Å; F841-F921 HydrophobicContact CE2-CD2 4.38Å; F841-F921 HydrophobicContact CG-CD2 4.09Å; F841-F921 HydrophobicContact CZ-CB 3.52Å; F841-F921 AromaticContact CZ-CD2 3.98Å; F841-F921 HydrophobicContact CZ-CD2 3.98Å; F841-F921 HydrophobicContact CZ-CG 4.25Å; I844-F921 HydrophobicContact CB-CE2 4.33Å; I844-F921 HydrophobicContact CD1-CD2 4.42Å; I844-F921 HydrophobicContact CD1-CE2 3.7Å; I844-F921 HydrophobicContact CD1-CZ 4.15Å; I844-F921 HydrophobicContact CG2-CE2 3.97Å; I844-F921 HydrophobicContact CG2-CZ 3.83Å; W845-F921 HydrophobicContact CE3-CE2 4.01Å; W845-F921 AromaticContact CZ3-CD2 3.93Å; W845-F921 HydrophobicContact CZ3-CD2 3.93Å; W845-F921 AromaticContact CZ3-CE2 3.73Å; W845-F921 HydrophobicContact CZ3-CE2 3.73Å; P887-F921 HydrophobicContact CB-CE1 3.87Å; P887-F921 HydrophobicContact CB-CZ 4.34Å; W891-F921 HydrophobicContact CB-CE1 3.67Å; W891-F921 HydrophobicContact CB-CZ 3.72Å; W891-F921 HydrophobicContact CG-CZ 4.21Å; I892-F921 HydrophobicContact CD1-CB 4.28Å; I892-F921 HydrophobicContact CD1-CD1 3.63Å; I892-F921 HydrophobicContact CD1-CE1 4.46Å; I892-F921 HydrophobicContact CD1-CG 4.4Å; I892-F921 HydrophobicContact CG1-CD1 4.04Å; I892-F921 HydrophobicContact CG1-CE1 4.44Å; L895-F921 HydrophobicContact CD1-CB 3.98Å; L895-F921 HydrophobicContact CD1-CD1 3.83Å; L895-F921 HydrophobicContact CD1-CD2 4Å; L895-F921 HydrophobicContact CD1-CE1 4.24Å; L895-F921 HydrophobicContact CD1-CE2 4.41Å; L895-F921 HydrophobicContact CD1-CG 3.67Å; I917-F921 PolarHBondContact O-N 2.8Å; A918-F921 WeakPolarHBondContact O-CB 3.34Å; A918-F921 PolarHBondContact O-N 3.36Å; Q919-F921 VanDerWaalsContact C-N 3.28Å; Q919-F921 PolarHBondContact O-N 3.14Å; F921-D923 VanDerWaalsContact C-N 3.33Å; F921-D923 PolarHBondContact O-N 2.89Å; F921-S924 VanDerWaalsContact O-CB 3.26Å; F921-S924 WeakPolarHBondContact O-CB 3.47Å; F921-S924 PolarHBondContact O-N 2.87Å; F921-S924 VanDerWaalsContact O-N 3.11Å; F921-F925 HydrophobicContact CD1-CD2 4.4Å; F921-F925 AromaticContact CD1-CE2 3.95Å; F921-F925 HydrophobicContact CD1-CE2 3.95Å; F921-F925 HydrophobicContact CD2-CE2 4.1Å; F921-F925 HydrophobicContact CE1-CD2 4.26Å; F921-F925 AromaticContact CE1-CE2 3.53Å; F921-F925 HydrophobicContact CE1-CE2 3.53Å; F921-F925 HydrophobicContact CE1-CZ 4.24Å; F921-F925 AromaticContact CE2-CE2 3.68Å; F921-F925 HydrophobicContact CE2-CE2 3.68Å; F921-F925 HydrophobicContact CE2-CZ 4.14Å; F921-F925 HydrophobicContact CG-CE2 4.24Å; F921-F925 HydrophobicContact CZ-CD2 4.49Å; F921-F925 AromaticContact CZ-CE2 3.39Å; F921-F925 HydrophobicContact CZ-CE2 3.39Å; F921-F925 AromaticContact CZ-CZ 3.76Å; F921-F925 HydrophobicContact CZ-CZ 3.76Å; F921-F925 VanDerWaalsContact O-CD2 3.25Å; F921-F925 WeakPolarHBondContact O-CD2 2.98Å |
| 922 | M | 87.2 | Confident | 79.4 | Confident | 57 Ų | 57 | 48.4 Ų | 48.4 | 28% | 0.281 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -57.9 | -44.7 | 177 | -65.6 | -168.7 | -79.8 | 0 | 0 | 112.3 | L888 I892 A918 Q919 S924 F925 S926 | L888-M922 HydrophobicContact CD2-CB 3.98Å; L888-M922 HydrophobicContact CD2-CG 3.5Å; L888-M922 HydrophobicContact CD2-SD 3.91Å; I892-M922 HydrophobicContact CD1-CG 3.27Å; I892-M922 HydrophobicContact CD1-SD 4.09Å; I892-M922 HydrophobicContact CG1-CG 3.66Å; I892-M922 HydrophobicContact CG1-SD 4.2Å; A918-M922 WeakPolarHBondContact O-CG 3.37Å; A918-M922 PolarHBondContact O-N 3.22Å; Q919-M922 HydrophobicContact CB-CE 4.44Å; Q919-M922 PolarHBondContact O-N 3.44Å; Q919-M922 VanDerWaalsContact OE1-CE 3.27Å; M922-S924 PolarHBondContact O-N 3.08Å; M922-F925 PolarHBondContact O-N 2.86Å; M922-F925 VanDerWaalsContact O-N 3.07Å; M922-S926 PolarHBondContact O-N 3.05Å |
| 923 | D | 89.5 | Confident | 79.6 | Confident | 21 Ų | 21 | 48.5 Ų | 48.5 | 11% | 0.112 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.8 | -26.2 | -179.2 | -70 | -14.6 | 0 | 0 | 0 | 111.7 | Q919 A920 F921 F925 S926 I947 K951 | Q919-D923 PolarHBondContact NE2-OD1 3.26Å; Q919-D923 WeakPolarHBondContact O-CB 3.22Å; Q919-D923 VanDerWaalsContact O-CG 3.27Å; Q919-D923 PolarHBondContact O-N 3.25Å; A920-D923 PolarHBondContact O-N 3.14Å; F921-D923 VanDerWaalsContact C-N 3.33Å; F921-D923 PolarHBondContact O-N 2.89Å; D923-F925 VanDerWaalsContact C-N 3.3Å; D923-F925 PolarHBondContact O-N 2.75Å; D923-S926 WeakPolarHBondContact O-CB 3.05Å; D923-S926 PolarHBondContact O-N 2.9Å; D923-I947 HydrophobicContact CB-CD1 3.99Å; D923-I947 HydrophobicContact CB-CG1 4.26Å; D923-I947 HydrophobicContact CB-CG2 4.38Å; D923-K951 WeakPolarHBondContact O-CE 3.02Å |
| 924 | S | 92.3 | Very high | 79.2 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.007 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.3 | -21.9 | 175.7 | -56.7 | 0 | 0 | 0 | 0 | 113.9 | A920 F921 M922 F950 K951 | A920-S924 PolarHBondContact O-N 2.8Å; A920-S924 VanDerWaalsContact O-N 3.15Å; A920-S924 PolarHBondContact O-OG 2.85Å; F921-S924 VanDerWaalsContact O-CB 3.26Å; F921-S924 WeakPolarHBondContact O-CB 3.47Å; F921-S924 PolarHBondContact O-N 2.87Å; F921-S924 VanDerWaalsContact O-N 3.11Å; M922-S924 PolarHBondContact O-N 3.08Å; S924-F950 WeakPolarHBondContact OG-CB 3.34Å; S924-K951 WeakPolarHBondContact O-CA 3.47Å; S924-K951 VanDerWaalsContact O-CG 3.27Å; S924-K951 WeakPolarHBondContact O-CG 3.43Å |
| 925 | F | 89.4 | Confident | 78.9 | Confident | 6 Ų | 6 | 64.5 Ų | 64.5 | 3% | 0.026 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -97.6 | -5.2 | 175 | -65.5 | -94.7 | 0 | 0 | 0 | 113.2 | W845 H879 T883 P887 F921 M922 D923 V954 Y958 | W845-F925 HydrophobicContact CE3-CE2 4.11Å; W845-F925 AromaticContact CE3-CZ 3.74Å; W845-F925 HydrophobicContact CE3-CZ 3.74Å; W845-F925 AromaticContact CZ3-CE2 3.88Å; W845-F925 HydrophobicContact CZ3-CE2 3.88Å; W845-F925 HydrophobicContact CZ3-CZ 4Å; H879-F925 PolarHBondContact NE2-O 2.81Å; T883-F925 HydrophobicContact CG2-CB 3.46Å; T883-F925 VanDerWaalsContact CG2-CB 3.46Å; T883-F925 HydrophobicContact CG2-CD1 4.5Å; T883-F925 HydrophobicContact CG2-CG 4.19Å; P887-F925 HydrophobicContact CB-CD1 4.07Å; P887-F925 HydrophobicContact CB-CD2 3.97Å; P887-F925 HydrophobicContact CB-CE1 3.92Å; P887-F925 HydrophobicContact CB-CE2 3.84Å; P887-F925 HydrophobicContact CB-CG 4.11Å; P887-F925 HydrophobicContact CB-CZ 3.81Å; P887-F925 HydrophobicContact CG-CD1 3.6Å; P887-F925 HydrophobicContact CG-CD2 4.38Å; P887-F925 HydrophobicContact CG-CE1 3.32Å; P887-F925 HydrophobicContact CG-CE2 4.17Å; P887-F925 HydrophobicContact CG-CG 4.15Å; P887-F925 HydrophobicContact CG-CZ 3.64Å; F921-F925 HydrophobicContact CD1-CD2 4.4Å; F921-F925 AromaticContact CD1-CE2 3.95Å; F921-F925 HydrophobicContact CD1-CE2 3.95Å; F921-F925 HydrophobicContact CD2-CE2 4.1Å; F921-F925 HydrophobicContact CE1-CD2 4.26Å; F921-F925 AromaticContact CE1-CE2 3.53Å; F921-F925 HydrophobicContact CE1-CE2 3.53Å; F921-F925 HydrophobicContact CE1-CZ 4.24Å; F921-F925 AromaticContact CE2-CE2 3.68Å; F921-F925 HydrophobicContact CE2-CE2 3.68Å; F921-F925 HydrophobicContact CE2-CZ 4.14Å; F921-F925 HydrophobicContact CG-CE2 4.24Å; F921-F925 HydrophobicContact CZ-CD2 4.49Å; F921-F925 AromaticContact CZ-CE2 3.39Å; F921-F925 HydrophobicContact CZ-CE2 3.39Å; F921-F925 AromaticContact CZ-CZ 3.76Å; F921-F925 HydrophobicContact CZ-CZ 3.76Å; F921-F925 VanDerWaalsContact O-CD2 3.25Å; F921-F925 WeakPolarHBondContact O-CD2 2.98Å; M922-F925 PolarHBondContact O-N 2.86Å; M922-F925 VanDerWaalsContact O-N 3.07Å; D923-F925 VanDerWaalsContact C-N 3.3Å; D923-F925 PolarHBondContact O-N 2.75Å; F925-V954 HydrophobicContact CD1-CB 4.4Å; F925-V954 HydrophobicContact CD1-CG1 3.36Å; F925-V954 HydrophobicContact CD1-CG2 4.09Å; F925-V954 HydrophobicContact CE1-CB 4.35Å; F925-V954 HydrophobicContact CE1-CG1 3.55Å; F925-V954 HydrophobicContact CE1-CG2 3.79Å; F925-V954 HydrophobicContact CE2-CG2 4.3Å; F925-V954 HydrophobicContact CG-CG1 4.16Å; F925-V954 HydrophobicContact CG-CG2 4.46Å; F925-V954 HydrophobicContact CZ-CG1 4.48Å; F925-V954 HydrophobicContact CZ-CG2 3.9Å; F925-Y958 HydrophobicContact CD1-CE2 4.49Å |
| 926 | S | 87.6 | Confident | 78.3 | Confident | 46 Ų | 46 | 63.8 Ų | 63.8 | 32% | 0.322 | 33% | 0.334 | S | S | . | . | trans | -70.8 | 139.2 | -179 | 179.3 | 0 | 0 | 0 | 0 | 112.3 | M922 D923 S928 K951 | M922-S926 PolarHBondContact O-N 3.05Å; D923-S926 WeakPolarHBondContact O-CB 3.05Å; D923-S926 PolarHBondContact O-N 2.9Å; S926-S928 PolarHBondContact OG-N 2.69Å; S926-K951 WeakPolarHBondContact O-CE 3.07Å; S926-K951 PolarHBondContact O-NZ 3.12Å | ||
| 927 | L | 83.1 | Confident | 78 | Confident | 56 Ų | 56 | 65.1 Ų | 65.1 | 29% | 0.293 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -81 | -22.8 | 172.7 | -65 | 175 | 0 | 0 | 0 | 112.8 | D876 H879 I880 | D876-L927 HydrophobicContact CB-CD1 3.61Å; H879-L927 HydrophobicContact CB-CD1 4.45Å; H879-L927 HydrophobicContact CB-CD2 4.42Å; I880-L927 HydrophobicContact CD1-CD1 4.08Å; I880-L927 HydrophobicContact CG1-CD1 3.86Å |
| 928 | S | 80.8 | Confident | 77.6 | Confident | 83 Ų | 83 | 67.9 Ų | 67.9 | 58% | 0.58 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -78.3 | 137.5 | -177.6 | -49.2 | 0 | 0 | 0 | 0 | 112.5 | S926 K951 | S926-S928 PolarHBondContact OG-N 2.69Å; S928-K951 PolarHBondContact O-NZ 3.02Å |
| 929 | E | 72.9 | Confident | 77.2 | Confident | 180 Ų | 180 | 70.3 Ų | 70.3 | 84% | 0.841 | 37% | 0.374 | S | S | * | . | trans | -66.7 | 141.9 | 171.9 | -66.4 | -172 | 169.9 | 0 | 0 | 111.7 | Q931 | E929-Q931 PolarHBondContact O-N 3.26Š| ||
| 930 | I | 71.4 | Confident | 76.8 | Confident | 55 Ų | 55 | 71.6 Ų | 71.6 | 28% | 0.282 | 38% | 0.379 | S | S | . | . | trans | -79.9 | 109.6 | 179 | -59.6 | 174.7 | 0 | 0 | 0 | 108.2 | L932 I947 | I930-L932 HydrophobicContact CG2-CD2 3.62Å; I930-L932 HydrophobicContact CG2-CG 3.98Å; I930-L932 PolarHBondContact O-N 3.39Å; I930-I947 HydrophobicContact CD1-CB 3.87Å; I930-I947 HydrophobicContact CD1-CG1 3.91Å; I930-I947 HydrophobicContact CD1-CG2 3.72Å | ||
| 931 | Q | 65.2 | Low | 76.3 | Confident | 186 Ų | 186 | 75.2 Ų | 75.2 | 87% | 0.869 | 40% | 0.397 | S | S | * | . | trans | -77 | 105.6 | 169 | -67 | -171 | -3.9 | 0 | 0 | 109.7 | E929 | E929-Q931 PolarHBondContact O-N 3.26Š| ||
| 932 | L | 71.1 | Confident | 75.8 | Confident | 99 Ų | 99 | 76.4 Ų | 76.4 | 52% | 0.518 | 40% | 0.403 | S | S | . | . | trans | -88.3 | 115.3 | 178.1 | -61.6 | 166.1 | 0 | 0 | 0 | 109.4 | I930 L941 A944 | I930-L932 HydrophobicContact CG2-CD2 3.62Å; I930-L932 HydrophobicContact CG2-CG 3.98Å; I930-L932 PolarHBondContact O-N 3.39Å; L932-L941 HydrophobicContact CD2-CD2 3.95Å; L932-A944 HydrophobicContact CD1-CB 3.8Å; L932-A944 HydrophobicContact CD2-CB 3.57Å; L932-A944 HydrophobicContact CG-CB 4.33Å | ||
| 933 | G | 64.1 | Low | 75.6 | Confident | 41 Ų | 41 | 74.1 Ų | 74.1 | 42% | 0.423 | 39% | 0.391 | S | S | . | . | trans | -128.4 | 169 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | H935 A936 | G933-H935 PolarHBondContact O-N 3.2Å; G933-A936 VanDerWaalsContact O-CB 3.3Å; G933-A936 WeakPolarHBondContact O-CB 3.29Å; G933-A936 PolarHBondContact O-N 3.38Å | ||
| 934 | K | 58.8 | Low | 75.4 | Confident | 201 Ų | 201 | 73.8 Ų | 73.8 | 87% | 0.874 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -20.3 | 178.3 | -171.7 | 175.6 | 178.6 | 179.5 | 0 | 113.7 | ||
| 935 | H | 66 | Low | 75.1 | Confident | 181 Ų | 181 | 83 Ų | 83 | 84% | 0.838 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 4.9 | 179.3 | -56.5 | -64.3 | 0 | 0 | 0 | 113.9 | G933 | G933-H935 PolarHBondContact O-N 3.2Š|
| 936 | A | 64.6 | Low | 75.1 | Confident | 23 Ų | 23 | 84.1 Ų | 84.1 | 19% | 0.19 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -67.2 | 141.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | G933 L941 | G933-A936 VanDerWaalsContact O-CB 3.3Å; G933-A936 WeakPolarHBondContact O-CB 3.29Å; G933-A936 PolarHBondContact O-N 3.38Å; A936-L941 HydrophobicContact CB-CD2 4Å; A936-L941 HydrophobicContact CB-CG 4.28Å |
| 937 | P | 72 | Confident | 75.3 | Confident | 68 Ų | 68 | 82.1 Ų | 82.1 | 44% | 0.442 | 42% | 0.424 | S | S | . | . | trans | -67.8 | 143.5 | -177.5 | 31.2 | -36.9 | 0 | 0 | 0 | 110.7 | N939 K940 L941 | P937-N939 VanDerWaalsContact CB-OD1 3.27Å; P937-N939 WeakPolarHBondContact CB-OD1 3.23Å; P937-N939 WeakPolarHBondContact CG-OD1 3.26Å; P937-N939 PolarHBondContact O-N 2.97Å; P937-N939 VanDerWaalsContact O-N 3.15Å; P937-K940 HydrophobicContact CG-CB 4.16Å; P937-K940 HydrophobicContact CG-CD 3.94Å; P937-K940 HydrophobicContact CG-CG 3.93Å; P937-K940 PolarHBondContact O-N 3.29Å; P937-L941 PolarHBondContact O-N 3.17Å | ||
| 938 | T | 70.6 | Confident | 75.7 | Confident | 67 Ų | 67 | 83 Ų | 83 | 41% | 0.411 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -56.4 | -35 | -171.4 | -48.1 | 0 | 0 | 0 | 0 | 113.5 | L823 L826 K940 L941 L942 | L823-T938 HydrophobicContact CD1-CG2 3.52Å; L826-T938 HydrophobicContact CD1-CG2 4.17Å; T938-K940 VanDerWaalsContact C-N 3.32Å; T938-K940 PolarHBondContact O-N 2.85Å; T938-L941 PolarHBondContact O-N 3.28Å; T938-L942 WeakPolarHBondContact O-CG 3.15Å; T938-L942 PolarHBondContact O-N 3.24Å |
| 939 | N | 73.5 | Confident | 76.2 | Confident | 51 Ų | 51 | 83.2 Ų | 83.2 | 27% | 0.273 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.5 | -36.6 | 176.1 | 62.6 | -24.4 | 0 | 0 | 0 | 113.1 | V916 P937 | V916-N939 HydrophobicContact CB-CB 4.48Å; V916-N939 HydrophobicContact CG1-CB 4.05Å; V916-N939 HydrophobicContact CG2-CB 3.95Å; P937-N939 VanDerWaalsContact CB-OD1 3.27Å; P937-N939 WeakPolarHBondContact CB-OD1 3.23Å; P937-N939 WeakPolarHBondContact CG-OD1 3.26Å; P937-N939 PolarHBondContact O-N 2.97Å; P937-N939 VanDerWaalsContact O-N 3.15Å |
| 940 | K | 76 | Confident | 77.2 | Confident | 79 Ų | 79 | 74.7 Ų | 74.7 | 34% | 0.343 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -73.3 | -35.4 | 174.4 | -71.4 | -168 | 172.4 | -167.9 | 0 | 111.9 | P937 T938 L942 A944 | P937-K940 HydrophobicContact CG-CB 4.16Å; P937-K940 HydrophobicContact CG-CD 3.94Å; P937-K940 HydrophobicContact CG-CG 3.93Å; P937-K940 PolarHBondContact O-N 3.29Å; T938-K940 VanDerWaalsContact C-N 3.32Å; T938-K940 PolarHBondContact O-N 2.85Å; K940-L942 VanDerWaalsContact C-N 3.34Å; K940-L942 PolarHBondContact O-N 3.13Å; K940-A944 WeakPolarHBondContact O-CB 3.27Å; K940-A944 PolarHBondContact O-N 3.02Å; K940-A944 VanDerWaalsContact O-N 3.16Å |
| 941 | L | 77.9 | Confident | 78.2 | Confident | 78 Ų | 78 | 73.6 Ų | 73.6 | 41% | 0.408 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.1 | -35.9 | 176.4 | -65.5 | 176.5 | 0 | 0 | 0 | 112.4 | L932 A936 P937 T938 Y943 A944 | L932-L941 HydrophobicContact CD2-CD2 3.95Å; A936-L941 HydrophobicContact CB-CD2 4Å; A936-L941 HydrophobicContact CB-CG 4.28Å; P937-L941 PolarHBondContact O-N 3.17Å; T938-L941 PolarHBondContact O-N 3.28Å; L941-Y943 PolarHBondContact O-N 3.5Å; L941-A944 PolarHBondContact O-N 3.07Å |
| 942 | L | 77.4 | Confident | 79.5 | Confident | 25 Ų | 25 | 71.5 Ų | 71.5 | 13% | 0.131 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.1 | -38.3 | -176.1 | -79.6 | 168.1 | 0 | 0 | 0 | 114.1 | L826 L827 K830 T938 K940 | L826-L942 HydrophobicContact CB-CD1 4.46Å; L826-L942 HydrophobicContact CB-CD2 4.06Å; L827-L942 HydrophobicContact CD2-CD2 4.03Å; L827-L942 HydrophobicContact CG-CD2 4.26Å; K830-L942 HydrophobicContact CB-CD2 4.46Å; T938-L942 WeakPolarHBondContact O-CG 3.15Å; T938-L942 PolarHBondContact O-N 3.24Å; K940-L942 VanDerWaalsContact C-N 3.34Å; K940-L942 PolarHBondContact O-N 3.13Å |
| 943 | Y | 83.8 | Confident | 80.5 | Confident | 9 Ų | 9 | 68.8 Ų | 68.8 | 4% | 0.035 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -108.5 | 2.1 | -179 | -73.6 | -87.6 | 0 | 0 | 0 | 113.5 | K830 V837 V916 A920 L941 K945 D946 I947 | K830-Y943 HydrophobicContact CG-CE1 4.19Å; K830-Y943 HydrophobicContact CG-CE2 4.17Å; V837-Y943 HydrophobicContact CG1-CE1 4.22Å; V916-Y943 HydrophobicContact CG1-CD2 4.44Å; V916-Y943 HydrophobicContact CG1-CE2 4.11Å; A920-Y943 HydrophobicContact CB-CD1 4.19Å; A920-Y943 HydrophobicContact CB-CD2 3.84Å; A920-Y943 HydrophobicContact CB-CE2 4.44Å; A920-Y943 HydrophobicContact CB-CG 3.7Å; L941-Y943 PolarHBondContact O-N 3.5Å; Y943-K945 PolarHBondContact O-N 2.96Å; Y943-D946 PolarHBondContact O-N 3.42Å; Y943-I947 WeakPolarHBondContact O-CG1 3.38Å; Y943-I947 PolarHBondContact O-N 3.04Å; Y943-I947 VanDerWaalsContact O-N 3.14Å |
| 944 | A | 84.9 | Confident | 81.8 | Confident | 15 Ų | 15 | 66.9 Ų | 66.9 | 12% | 0.124 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | -36.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L932 K940 L941 P948 | L932-A944 HydrophobicContact CD1-CB 3.8Å; L932-A944 HydrophobicContact CD2-CB 3.57Å; L932-A944 HydrophobicContact CG-CB 4.33Å; K940-A944 WeakPolarHBondContact O-CB 3.27Å; K940-A944 PolarHBondContact O-N 3.02Å; K940-A944 VanDerWaalsContact O-N 3.16Å; L941-A944 PolarHBondContact O-N 3.07Å; A944-P948 WeakPolarHBondContact O-CD 3.44Å |
| 945 | K | 86.6 | Confident | 83.3 | Confident | 195 Ų | 195 | 63.2 Ų | 63.2 | 85% | 0.848 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -26.5 | 179.6 | -69.1 | -173.3 | 176.6 | -177.4 | 0 | 113.6 | Y943 | Y943-K945 PolarHBondContact O-N 2.96Š|
| 946 | D | 88.8 | Confident | 84.5 | Confident | 29 Ų | 29 | 56.5 Ų | 56.5 | 16% | 0.155 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -30.8 | -175.5 | -47.4 | -55.6 | 0 | 0 | 0 | 111.8 | K830 H834 Y943 P948 K949 F950 | K830-D946 WeakPolarHBondContact CE-OD2 3.36Å; K830-D946 IonicContact NZ-OD1 3.63Å; K830-D946 IonicContact NZ-OD2 2.96Å; K830-D946 PolarHBondContact NZ-OD2 3.38Å; H834-D946 VanDerWaalsContact CE1-CG 3.5Å; H834-D946 IonicContact CE1-OD1 3.56Å; H834-D946 IonicContact CE1-OD2 2.87Å; H834-D946 PolarHBondContact CE1-OD2 3.15Å; H834-D946 IonicContact NE2-OD1 2.93Å; Y943-D946 PolarHBondContact O-N 3.42Å; D946-P948 VanDerWaalsContact C-CD 3.5Å; D946-K949 WeakPolarHBondContact O-CB 3.24Å; D946-K949 PolarHBondContact O-N 2.66Å; D946-K949 VanDerWaalsContact O-N 3.07Å; D946-F950 HydrophobicContact CB-CD2 4.19Å; D946-F950 HydrophobicContact CB-CE2 3.61Å; D946-F950 HydrophobicContact CB-CZ 4.01Å; D946-F950 PolarHBondContact O-N 3.28Å; D946-F950 VanDerWaalsContact O-N 3.12Å |
| 947 | I | 91.9 | Very high | 85.7 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.015 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -53.2 | -43.9 | -177.6 | -61.7 | -53.8 | 0 | 0 | 0 | 113.5 | A920 D923 I930 Y943 K949 F950 K951 | A920-I947 HydrophobicContact CB-CD1 4.21Å; A920-I947 WeakPolarHBondContact O-CD1 3.41Å; D923-I947 HydrophobicContact CB-CD1 3.99Å; D923-I947 HydrophobicContact CB-CG1 4.26Å; D923-I947 HydrophobicContact CB-CG2 4.38Å; I930-I947 HydrophobicContact CD1-CB 3.87Å; I930-I947 HydrophobicContact CD1-CG1 3.91Å; I930-I947 HydrophobicContact CD1-CG2 3.72Å; Y943-I947 WeakPolarHBondContact O-CG1 3.38Å; Y943-I947 PolarHBondContact O-N 3.04Å; Y943-I947 VanDerWaalsContact O-N 3.14Å; I947-K949 VanDerWaalsContact C-N 3.28Å; I947-K949 PolarHBondContact O-N 3.43Å; I947-F950 HydrophobicContact CD1-CD2 4.31Å; I947-F950 PolarHBondContact O-N 2.67Å; I947-K951 HydrophobicContact CG2-CD 4.01Å; I947-K951 HydrophobicContact CG2-CG 4.02Å; I947-K951 WeakPolarHBondContact O-CG 3.43Å; I947-K951 PolarHBondContact O-N 3.46Å |
| 948 | P | 91.3 | Very high | 86.6 | Confident | 74 Ų | 74 | 53.3 Ų | 53.3 | 48% | 0.481 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58 | -38.7 | 178.6 | -26.3 | 35.9 | 0 | 0 | 0 | 113.4 | A944 D946 Q952 | A944-P948 WeakPolarHBondContact O-CD 3.44Å; D946-P948 VanDerWaalsContact C-CD 3.5Å; P948-Q952 WeakPolarHBondContact O-CG 3.47Å; P948-Q952 PolarHBondContact O-N 3.26Å |
| 949 | K | 92.6 | Very high | 87.5 | Confident | 88 Ų | 88 | 55.5 Ų | 55.5 | 38% | 0.383 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.1 | -47.6 | 175.4 | 177.5 | -175.7 | 165.4 | -165.3 | 0 | 110.5 | E838 D946 I947 K951 Q952 E953 | E838-K949 IonicContact OE1-NZ 2.95Å; E838-K949 PolarHBondContact OE1-NZ 2.8Å; D946-K949 WeakPolarHBondContact O-CB 3.24Å; D946-K949 PolarHBondContact O-N 2.66Å; D946-K949 VanDerWaalsContact O-N 3.07Å; I947-K949 VanDerWaalsContact C-N 3.28Å; I947-K949 PolarHBondContact O-N 3.43Å; K949-K951 VanDerWaalsContact C-N 3.33Å; K949-K951 PolarHBondContact O-N 3.39Å; K949-Q952 WeakPolarHBondContact O-CB 3.3Å; K949-Q952 PolarHBondContact O-N 2.86Å; K949-Q952 VanDerWaalsContact O-N 3.11Å; K949-E953 WeakPolarHBondContact CE-OE1 3.4Å; K949-E953 PolarHBondContact O-N 3.49Å |
| 950 | F | 93.6 | Very high | 88.2 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.009 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.3 | -37.9 | 177.9 | -60.9 | -33.4 | 0 | 0 | 0 | 112.8 | E838 F841 W845 S924 D946 I947 Q952 E953 V954 | E838-F950 HydrophobicContact CG-CE1 4.23Å; F841-F950 HydrophobicContact CD2-CD2 4.06Å; F841-F950 AromaticContact CD2-CE2 3.94Å; F841-F950 HydrophobicContact CD2-CE2 3.94Å; F841-F950 HydrophobicContact CD2-CG 4.43Å; F841-F950 HydrophobicContact CD2-CZ 4.21Å; F841-F950 HydrophobicContact CE2-CD2 4.22Å; F841-F950 HydrophobicContact CE2-CE2 4.07Å; W845-F950 HydrophobicContact CH2-CB 3.88Å; W845-F950 HydrophobicContact CH2-CD1 4.31Å; W845-F950 HydrophobicContact CH2-CG 4.1Å; W845-F950 HydrophobicContact CZ2-CB 4Å; W845-F950 AromaticContact CZ2-CD1 3.87Å; W845-F950 HydrophobicContact CZ2-CD1 3.87Å; W845-F950 HydrophobicContact CZ2-CG 4.1Å; S924-F950 WeakPolarHBondContact OG-CB 3.34Å; D946-F950 HydrophobicContact CB-CD2 4.19Å; D946-F950 HydrophobicContact CB-CE2 3.61Å; D946-F950 HydrophobicContact CB-CZ 4.01Å; D946-F950 PolarHBondContact O-N 3.28Å; D946-F950 VanDerWaalsContact O-N 3.12Å; I947-F950 HydrophobicContact CD1-CD2 4.31Å; I947-F950 PolarHBondContact O-N 2.67Å; F950-Q952 VanDerWaalsContact C-N 3.29Å; F950-Q952 PolarHBondContact O-N 3.34Å; F950-E953 PolarHBondContact O-N 3.34Å; F950-V954 WeakPolarHBondContact O-CG2 2.85Å; F950-V954 PolarHBondContact O-N 2.9Å |
| 951 | K | 92.8 | Very high | 88.7 | Confident | 32 Ų | 32 | 53.5 Ų | 53.5 | 14% | 0.139 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.5 | -38.7 | 173.2 | -75.9 | -178.6 | 176.6 | -149.4 | 0 | 112.6 | D923 S924 S926 S928 I947 K949 K955 | D923-K951 WeakPolarHBondContact O-CE 3.02Å; S924-K951 WeakPolarHBondContact O-CA 3.47Å; S924-K951 VanDerWaalsContact O-CG 3.27Å; S924-K951 WeakPolarHBondContact O-CG 3.43Å; S926-K951 WeakPolarHBondContact O-CE 3.07Å; S926-K951 PolarHBondContact O-NZ 3.12Å; S928-K951 PolarHBondContact O-NZ 3.02Å; I947-K951 HydrophobicContact CG2-CD 4.01Å; I947-K951 HydrophobicContact CG2-CG 4.02Å; I947-K951 WeakPolarHBondContact O-CG 3.43Å; I947-K951 PolarHBondContact O-N 3.46Å; K949-K951 VanDerWaalsContact C-N 3.33Å; K949-K951 PolarHBondContact O-N 3.39Å; K951-K955 WeakPolarHBondContact O-CB 3.39Å; K951-K955 VanDerWaalsContact O-CG 3.31Å; K951-K955 WeakPolarHBondContact O-CG 3.44Å; K951-K955 PolarHBondContact O-N 2.87Å |
| 952 | Q | 91.6 | Very high | 89.3 | Confident | 142 Ų | 142 | 55.7 Ų | 55.7 | 66% | 0.664 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -67.4 | -43.4 | 175.6 | -70.4 | 178 | -5 | 0 | 0 | 111.5 | P948 K949 F950 K955 A956 | P948-Q952 WeakPolarHBondContact O-CG 3.47Å; P948-Q952 PolarHBondContact O-N 3.26Å; K949-Q952 WeakPolarHBondContact O-CB 3.3Å; K949-Q952 PolarHBondContact O-N 2.86Å; K949-Q952 VanDerWaalsContact O-N 3.11Å; F950-Q952 VanDerWaalsContact C-N 3.29Å; F950-Q952 PolarHBondContact O-N 3.34Å; Q952-K955 PolarHBondContact O-N 3.39Å; Q952-A956 WeakPolarHBondContact O-CB 3.1Å; Q952-A956 PolarHBondContact O-N 3.03Å |
| 953 | E | 91.9 | Very high | 89.9 | Confident | 42 Ų | 42 | 60.3 Ų | 60.3 | 20% | 0.196 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 175.9 | -67 | -176.3 | -165.7 | 0 | 0 | 111.6 | R842 W845 K949 F950 A956 Y957 | R842-E953 WeakPolarHBondContact CG-OE2 3.25Å; R842-E953 IonicContact CZ-OE1 3.56Å; R842-E953 IonicContact NE-OE1 3.69Å; R842-E953 PolarHBondContact NE-OE1 2.89Å; R842-E953 IonicContact NE-OE2 3.49Å; R842-E953 PolarHBondContact NE-OE2 2.94Å; R842-E953 IonicContact NH2-OE1 2.7Å; R842-E953 PolarHBondContact NH2-OE1 3.46Å; W845-E953 PolarHBondContact NE1-OE2 3.32Å; K949-E953 WeakPolarHBondContact CE-OE1 3.4Å; K949-E953 PolarHBondContact O-N 3.49Å; F950-E953 PolarHBondContact O-N 3.34Å; E953-A956 WeakPolarHBondContact O-CB 3.4Å; E953-A956 PolarHBondContact O-N 3.4Å; E953-Y957 WeakPolarHBondContact O-CB 3.23Å; E953-Y957 PolarHBondContact O-N 3.24Å |
| 954 | V | 92.3 | Very high | 90 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 176.1 | 168.1 | 0 | 0 | 0 | 0 | 111.9 | W845 F925 F950 A956 Y957 Y958 | W845-V954 HydrophobicContact CD2-CG2 4.02Å; W845-V954 HydrophobicContact CE3-CG2 3.73Å; W845-V954 HydrophobicContact CH2-CG2 4.19Å; W845-V954 HydrophobicContact CZ2-CG2 4.49Å; W845-V954 HydrophobicContact CZ3-CG2 3.82Å; F925-V954 HydrophobicContact CD1-CB 4.4Å; F925-V954 HydrophobicContact CD1-CG1 3.36Å; F925-V954 HydrophobicContact CD1-CG2 4.09Å; F925-V954 HydrophobicContact CE1-CB 4.35Å; F925-V954 HydrophobicContact CE1-CG1 3.55Å; F925-V954 HydrophobicContact CE1-CG2 3.79Å; F925-V954 HydrophobicContact CE2-CG2 4.3Å; F925-V954 HydrophobicContact CG-CG1 4.16Å; F925-V954 HydrophobicContact CG-CG2 4.46Å; F925-V954 HydrophobicContact CZ-CG1 4.48Å; F925-V954 HydrophobicContact CZ-CG2 3.9Å; F950-V954 WeakPolarHBondContact O-CG2 2.85Å; F950-V954 PolarHBondContact O-N 2.9Å; V954-A956 VanDerWaalsContact C-N 3.3Å; V954-A956 PolarHBondContact O-N 3.46Å; V954-Y957 WeakPolarHBondContact O-CB 3.2Å; V954-Y957 PolarHBondContact O-N 3.13Å; V954-Y958 HydrophobicContact CG1-CD2 4.44Å; V954-Y958 HydrophobicContact CG1-CE2 4.2Å; V954-Y958 PolarHBondContact O-N 3.21Å |
| 955 | K | 90.1 | Very high | 90.2 | Very high | 125 Ų | 125 | 66.2 Ų | 66.2 | 54% | 0.543 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.2 | -41 | 175.2 | -76.3 | 179.5 | -179.5 | -171.1 | 0 | 111.3 | K951 Q952 K959 | K951-K955 WeakPolarHBondContact O-CB 3.39Å; K951-K955 VanDerWaalsContact O-CG 3.31Å; K951-K955 WeakPolarHBondContact O-CG 3.44Å; K951-K955 PolarHBondContact O-N 2.87Å; Q952-K955 PolarHBondContact O-N 3.39Å; K955-K959 WeakPolarHBondContact O-CB 3.23Å; K955-K959 PolarHBondContact O-N 2.91Å; K955-K959 VanDerWaalsContact O-N 3.1Å |
| 956 | A | 90.4 | Very high | 90.2 | Very high | 39 Ų | 39 | 60.8 Ų | 60.8 | 32% | 0.322 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.7 | -42 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q952 E953 V954 K959 Q960 | Q952-A956 WeakPolarHBondContact O-CB 3.1Å; Q952-A956 PolarHBondContact O-N 3.03Å; E953-A956 WeakPolarHBondContact O-CB 3.4Å; E953-A956 PolarHBondContact O-N 3.4Å; V954-A956 VanDerWaalsContact C-N 3.3Å; V954-A956 PolarHBondContact O-N 3.46Å; A956-K959 PolarHBondContact O-N 2.96Å; A956-Q960 WeakPolarHBondContact O-CB 3.28Å; A956-Q960 VanDerWaalsContact O-CG 3.29Å; A956-Q960 WeakPolarHBondContact O-CG 3.32Å; A956-Q960 PolarHBondContact O-N 3.46Å |
| 957 | Y | 89 | Confident | 89.9 | Confident | 11 Ų | 11 | 60.5 Ų | 60.5 | 4% | 0.043 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.3 | -51.6 | 176.4 | 170.4 | -110.3 | 0 | 0 | 0 | 112.3 | W845 M847 E953 V954 K959 Q960 I961 | W845-Y957 HydrophobicContact CB-CD1 3.94Å; W845-Y957 HydrophobicContact CB-CD2 3.98Å; W845-Y957 HydrophobicContact CB-CE1 4.31Å; W845-Y957 HydrophobicContact CB-CE2 4.32Å; W845-Y957 HydrophobicContact CB-CG 3.75Å; W845-Y957 WeakPolarHBondContact O-CD2 3.33Å; M847-Y957 HydrophobicContact CE-CD2 3.68Å; M847-Y957 HydrophobicContact CE-CE2 3.97Å; M847-Y957 HydrophobicContact CG-CE2 4.48Å; E953-Y957 WeakPolarHBondContact O-CB 3.23Å; E953-Y957 PolarHBondContact O-N 3.24Å; V954-Y957 WeakPolarHBondContact O-CB 3.2Å; V954-Y957 PolarHBondContact O-N 3.13Å; Y957-K959 VanDerWaalsContact C-N 3.29Å; Y957-K959 PolarHBondContact O-N 2.93Å; Y957-Q960 PolarHBondContact O-N 3.29Å; Y957-I961 HydrophobicContact CD1-CD1 4.11Å; Y957-I961 HydrophobicContact CD2-CD1 4.14Å; Y957-I961 HydrophobicContact CE1-CD1 3.58Å; Y957-I961 HydrophobicContact CE2-CD1 3.64Å; Y957-I961 HydrophobicContact CE2-CG1 4.26Å; Y957-I961 HydrophobicContact CG-CD1 4.37Å; Y957-I961 WeakPolarHBondContact O-CG1 3.28Å; Y957-I961 PolarHBondContact O-N 3.21Å |
| 958 | Y | 90.9 | Very high | 89.5 | Confident | 14 Ų | 14 | 63.2 Ų | 63.2 | 6% | 0.055 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.7 | -34.5 | 177.4 | -71.8 | -16.6 | 0 | 0 | 0 | 113.1 | F860 H879 K882 T883 F925 V954 R962 | F860-Y958 HydrophobicContact CD2-CD1 4.39Å; F860-Y958 AromaticContact CE2-CD1 3.64Å; F860-Y958 HydrophobicContact CE2-CD1 3.64Å; F860-Y958 AromaticContact CE2-CE1 3.46Å; F860-Y958 HydrophobicContact CE2-CE1 3.46Å; F860-Y958 VanDerWaalsContact CE2-CE1 3.46Å; F860-Y958 HydrophobicContact CZ-CD1 4.38Å; F860-Y958 AromaticContact CZ-CE1 3.76Å; F860-Y958 HydrophobicContact CZ-CE1 3.76Å; H879-Y958 AromaticContact CE1-CD2 3.8Å; H879-Y958 AromaticContact CE1-CE2 3.64Å; H879-Y958 AromaticContact ND1-CD2 3.43Å; H879-Y958 WeakPolarHBondContact ND1-CD2 3.34Å; H879-Y958 AromaticContact ND1-CE2 3.6Å; K882-Y958 HydrophobicContact CB-CE1 4.17Å; K882-Y958 HydrophobicContact CB-CE2 3.96Å; K882-Y958 HydrophobicContact CD-CD1 4.48Å; K882-Y958 HydrophobicContact CD-CG 4.37Å; T883-Y958 PolarHBondContact N-OH 3.4Å; T883-Y958 PolarHBondContact OG1-OH 3.5Å; F925-Y958 HydrophobicContact CD1-CE2 4.49Å; V954-Y958 HydrophobicContact CG1-CD2 4.44Å; V954-Y958 HydrophobicContact CG1-CE2 4.2Å; V954-Y958 PolarHBondContact O-N 3.21Å; Y958-R962 PolarHBondContact O-N 2.8Å |
| 959 | K | 89.9 | Confident | 88.9 | Confident | 112 Ų | 112 | 64.4 Ų | 64.4 | 49% | 0.487 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.5 | -47.9 | 174.2 | -178.2 | 179.7 | 171.6 | -176.3 | 0 | 111.4 | K955 A956 Y957 I961 R962 E963 | K955-K959 WeakPolarHBondContact O-CB 3.23Å; K955-K959 PolarHBondContact O-N 2.91Å; K955-K959 VanDerWaalsContact O-N 3.1Å; A956-K959 PolarHBondContact O-N 2.96Å; Y957-K959 VanDerWaalsContact C-N 3.29Å; Y957-K959 PolarHBondContact O-N 2.93Å; K959-I961 PolarHBondContact O-N 2.88Å; K959-R962 PolarHBondContact O-N 3.3Å; K959-E963 WeakPolarHBondContact CE-OE1 3.48Å; K959-E963 WeakPolarHBondContact CG-OE1 3.18Å; K959-E963 IonicContact NZ-OE1 3.58Å; K959-E963 WeakPolarHBondContact O-CG 3.21Å; K959-E963 PolarHBondContact O-N 2.96Å |
| 960 | Q | 88.4 | Confident | 88.2 | Confident | 88 Ų | 88 | 63.2 Ų | 63.2 | 41% | 0.411 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.9 | -39.5 | 179.5 | -73.8 | 173 | 26 | 0 | 0 | 112.3 | M847 A956 Y957 R962 E963 Q964 | M847-Q960 HydrophobicContact CE-CB 3.46Å; M847-Q960 VanDerWaalsContact CE-CB 3.46Å; M847-Q960 HydrophobicContact SD-CB 4.14Å; A956-Q960 WeakPolarHBondContact O-CB 3.28Å; A956-Q960 VanDerWaalsContact O-CG 3.29Å; A956-Q960 WeakPolarHBondContact O-CG 3.32Å; A956-Q960 PolarHBondContact O-N 3.46Å; Y957-Q960 PolarHBondContact O-N 3.29Å; Q960-R962 VanDerWaalsContact C-N 3.33Å; Q960-R962 PolarHBondContact O-N 2.79Å; Q960-E963 PolarHBondContact O-N 2.8Å; Q960-Q964 WeakPolarHBondContact O-CG 3.35Å; Q960-Q964 PolarHBondContact O-N 3.25Å |
| 961 | I | 87.5 | Confident | 87.6 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 175.8 | -64.2 | 173.2 | 0 | 0 | 0 | 110.6 | M847 A852 I856 K857 F860 Y957 K959 E963 Q964 | M847-I961 HydrophobicContact CE-CB 4.47Å; M847-I961 HydrophobicContact CE-CD1 4.33Å; M847-I961 HydrophobicContact CE-CG1 3.42Å; M847-I961 VanDerWaalsContact CE-CG1 3.42Å; A852-I961 HydrophobicContact CB-CD1 4.43Å; A852-I961 HydrophobicContact CB-CG1 3.9Å; I856-I961 HydrophobicContact CG2-CD1 3.87Å; K857-I961 HydrophobicContact CB-CG2 4.5Å; K857-I961 HydrophobicContact CD-CG2 3.77Å; K857-I961 WeakPolarHBondContact CD-O 3.44Å; K857-I961 WeakPolarHBondContact CE-O 3.49Å; K857-I961 PolarHBondContact NZ-O 3.01Å; F860-I961 HydrophobicContact CB-CG2 4.24Å; F860-I961 HydrophobicContact CD2-CB 4.48Å; F860-I961 HydrophobicContact CD2-CD1 3.75Å; F860-I961 HydrophobicContact CD2-CG2 4.01Å; F860-I961 HydrophobicContact CE2-CD1 3.76Å; Y957-I961 HydrophobicContact CD1-CD1 4.11Å; Y957-I961 HydrophobicContact CD2-CD1 4.14Å; Y957-I961 HydrophobicContact CE1-CD1 3.58Å; Y957-I961 HydrophobicContact CE2-CD1 3.64Å; Y957-I961 HydrophobicContact CE2-CG1 4.26Å; Y957-I961 HydrophobicContact CG-CD1 4.37Å; Y957-I961 WeakPolarHBondContact O-CG1 3.28Å; Y957-I961 PolarHBondContact O-N 3.21Å; K959-I961 PolarHBondContact O-N 2.88Å; I961-E963 VanDerWaalsContact C-N 3.29Å; I961-E963 PolarHBondContact O-N 3.49Å; I961-Q964 WeakPolarHBondContact O-CB 3.49Å; I961-Q964 PolarHBondContact O-N 2.97Å |
| 962 | R | 89.1 | Confident | 86.8 | Confident | 124 Ų | 124 | 66.5 Ų | 66.5 | 47% | 0.468 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.4 | -36.3 | -179.1 | -171.2 | 180 | 65 | -178.2 | 1.9 | 112 | Y958 K959 Q960 Q964 | Y958-R962 PolarHBondContact O-N 2.8Å; K959-R962 PolarHBondContact O-N 3.3Å; Q960-R962 VanDerWaalsContact C-N 3.33Å; Q960-R962 PolarHBondContact O-N 2.79Å; R962-Q964 VanDerWaalsContact C-N 3.28Å; R962-Q964 PolarHBondContact O-N 2.88Å |
| 963 | E | 90 | Very high | 85.8 | Confident | 123 Ų | 123 | 65 Ų | 65 | 58% | 0.575 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -75.7 | -12.4 | 179.7 | -71.1 | 171.1 | 176.8 | 0 | 0 | 113.6 | K959 Q960 I961 | K959-E963 WeakPolarHBondContact CE-OE1 3.48Å; K959-E963 WeakPolarHBondContact CG-OE1 3.18Å; K959-E963 IonicContact NZ-OE1 3.58Å; K959-E963 WeakPolarHBondContact O-CG 3.21Å; K959-E963 PolarHBondContact O-N 2.96Å; Q960-E963 PolarHBondContact O-N 2.8Å; I961-E963 VanDerWaalsContact C-N 3.29Å; I961-E963 PolarHBondContact O-N 3.49Å |
| 964 | Q | 87.6 | Confident | 84.8 | Confident | 34 Ų | 34 | 68.2 Ų | 68.2 | 16% | 0.159 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -70.5 | 152.3 | 174.2 | -75.9 | 171.6 | 16.8 | 0 | 0 | 112.1 | M847 N850 A852 K857 Q960 I961 R962 | M847-Q964 PolarHBondContact SD-NE2 2.93Å; N850-Q964 PolarHBondContact O-NE2 2.7Å; A852-Q964 VanDerWaalsContact CB-OE1 3.29Å; A852-Q964 VanDerWaalsContact N-NE2 3.1Å; K857-Q964 HydrophobicContact CD-CB 4.21Å; K857-Q964 VanDerWaalsContact CE-O 3.25Å; K857-Q964 WeakPolarHBondContact CE-O 3.29Å; K857-Q964 PolarHBondContact NZ-O 3.48Å; Q960-Q964 WeakPolarHBondContact O-CG 3.35Å; Q960-Q964 PolarHBondContact O-N 3.25Å; I961-Q964 WeakPolarHBondContact O-CB 3.49Å; I961-Q964 PolarHBondContact O-N 2.97Å; R962-Q964 VanDerWaalsContact C-N 3.28Å; R962-Q964 PolarHBondContact O-N 2.88Å |
| 965 | P | 88.5 | Confident | 83.8 | Confident | 114 Ų | 114 | 70 Ų | 70 | 74% | 0.74 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 140.3 | 172.8 | -23.3 | 33.2 | 0 | 0 | 0 | 111.8 | K857 | K857-P965 WeakPolarHBondContact CE-O 3.35Š|
| 966 | A | 85.4 | Confident | 82.4 | Confident | 81 Ų | 81 | 64.2 Ų | 64.2 | 67% | 0.669 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -64 | 138 | 176 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 967 | V | 83.4 | Confident | 81.2 | Confident | 22 Ų | 22 | 65.4 Ų | 65.4 | 13% | 0.133 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 129.2 | 177.1 | 178.7 | 0 | 0 | 0 | 0 | 108.7 | L854 K857 Y858 E971 F972 | L854-V967 HydrophobicContact CD2-CG1 3.89Å; L854-V967 HydrophobicContact CD2-CG2 3.87Å; K857-V967 HydrophobicContact CB-CG2 4.22Å; K857-V967 HydrophobicContact CG-CG2 3.65Å; Y858-V967 HydrophobicContact CD2-CB 4.26Å; Y858-V967 HydrophobicContact CD2-CG1 4.29Å; V967-E971 HydrophobicContact CG1-CB 4.43Å; V967-E971 HydrophobicContact CG1-CG 4.37Å; V967-F972 HydrophobicContact CG1-CB 3.99Å |
| 968 | S | 84.3 | Confident | 79.9 | Confident | 60 Ų | 60 | 67 Ų | 67 | 42% | 0.42 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 148.1 | 178.8 | 72.6 | 0 | 0 | 0 | 0 | 111.7 | A970 E971 F972 | S968-A970 PolarHBondContact O-N 2.84Å; S968-E971 PolarHBondContact O-N 3.45Å; S968-E971 WeakPolarHBondContact OG-CB 2.9Å; S968-E971 PolarHBondContact OG-N 2.92Å; S968-E971 VanDerWaalsContact OG-N 3.15Å; S968-F972 PolarHBondContact O-N 3.16Å |
| 969 | D | 77.8 | Confident | 78.2 | Confident | 99 Ų | 99 | 67.3 Ų | 67.3 | 53% | 0.529 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.2 | -29.4 | 176.8 | -77.7 | -32.4 | 0 | 0 | 0 | 112.3 | R591 Y858 K973 | R591-D969 IonicContact NH1-OD1 2.83Å; Y858-D969 WeakPolarHBondContact CE2-OD1 3.19Å; Y858-D969 PolarHBondContact OH-OD1 3.28Å; D969-K973 WeakPolarHBondContact O-CB 3.47Å; D969-K973 PolarHBondContact O-N 2.93Å |
| 970 | A | 77.9 | Confident | 76.7 | Confident | 63 Ų | 63 | 62.5 Ų | 62.5 | 52% | 0.521 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -69.6 | -49.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S968 F972 K973 D974 | S968-A970 PolarHBondContact O-N 2.84Å; A970-F972 VanDerWaalsContact C-N 3.3Å; A970-F972 PolarHBondContact O-N 2.97Å; A970-K973 WeakPolarHBondContact O-CB 3.3Å; A970-K973 PolarHBondContact O-N 3.01Å; A970-D974 PolarHBondContact O-N 3.08Å |
| 971 | E | 81.1 | Confident | 75.5 | Confident | 97 Ų | 97 | 66 Ų | 66 | 45% | 0.453 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.2 | -42.3 | 177.1 | 179.9 | -178.3 | -171.7 | 0 | 0 | 111.5 | V967 S968 D974 F975 | V967-E971 HydrophobicContact CG1-CB 4.43Å; V967-E971 HydrophobicContact CG1-CG 4.37Å; S968-E971 PolarHBondContact O-N 3.45Å; S968-E971 WeakPolarHBondContact OG-CB 2.9Å; S968-E971 PolarHBondContact OG-N 2.92Å; S968-E971 VanDerWaalsContact OG-N 3.15Å; E971-D974 PolarHBondContact O-N 3.12Å; E971-F975 PolarHBondContact O-N 2.95Å; E971-F975 VanDerWaalsContact O-N 3.09Å |
| 972 | F | 75.6 | Confident | 74 | Confident | 6 Ų | 6 | 70.9 Ų | 70.9 | 3% | 0.026 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -71 | -36.2 | 178.5 | -167.4 | -122.7 | 0 | 0 | 0 | 112.5 | T587 A855 Y858 V967 S968 A970 D974 F975 L976 | T587-F972 HydrophobicContact CG2-CE1 3.59Å; T587-F972 HydrophobicContact CG2-CZ 4.3Å; A855-F972 HydrophobicContact CB-CE2 4.48Å; Y858-F972 AromaticContact CD1-CD1 3.56Å; Y858-F972 HydrophobicContact CD1-CD1 3.56Å; Y858-F972 AromaticContact CD1-CE1 3.24Å; Y858-F972 HydrophobicContact CD1-CE1 3.24Å; Y858-F972 HydrophobicContact CD1-CE2 4.4Å; Y858-F972 HydrophobicContact CD1-CG 4.24Å; Y858-F972 AromaticContact CD1-CZ 3.74Å; Y858-F972 HydrophobicContact CD1-CZ 3.74Å; Y858-F972 HydrophobicContact CD2-CB 3.91Å; Y858-F972 AromaticContact CD2-CD1 3.67Å; Y858-F972 HydrophobicContact CD2-CD1 3.67Å; Y858-F972 HydrophobicContact CD2-CD2 4.29Å; Y858-F972 HydrophobicContact CD2-CE1 4.21Å; Y858-F972 AromaticContact CD2-CG 3.71Å; Y858-F972 HydrophobicContact CD2-CG 3.71Å; Y858-F972 AromaticContact CE1-CD1 3.54Å; Y858-F972 HydrophobicContact CE1-CD1 3.54Å; Y858-F972 AromaticContact CE1-CE1 3.42Å; Y858-F972 HydrophobicContact CE1-CE1 3.42Å; Y858-F972 VanDerWaalsContact CE1-CE1 3.42Å; Y858-F972 HydrophobicContact CE1-CZ 4.35Å; Y858-F972 HydrophobicContact CE2-CB 4.02Å; Y858-F972 AromaticContact CE2-CD1 3.65Å; Y858-F972 HydrophobicContact CE2-CD1 3.65Å; Y858-F972 HydrophobicContact CE2-CE1 4.35Å; Y858-F972 HydrophobicContact CE2-CG 4Å; Y858-F972 AromaticContact CG-CD1 3.63Å; Y858-F972 HydrophobicContact CG-CD1 3.63Å; Y858-F972 HydrophobicContact CG-CD2 4.09Å; Y858-F972 AromaticContact CG-CE1 3.68Å; Y858-F972 HydrophobicContact CG-CE1 3.68Å; Y858-F972 HydrophobicContact CG-CE2 4.18Å; Y858-F972 AromaticContact CG-CG 3.83Å; Y858-F972 HydrophobicContact CG-CG 3.83Å; Y858-F972 AromaticContact CG-CZ 3.98Å; Y858-F972 HydrophobicContact CG-CZ 3.98Å; Y858-F972 AromaticContact CZ-CD1 3.59Å; Y858-F972 AromaticContact CZ-CE1 3.99Å; V967-F972 HydrophobicContact CG1-CB 3.99Å; S968-F972 PolarHBondContact O-N 3.16Å; A970-F972 VanDerWaalsContact C-N 3.3Å; A970-F972 PolarHBondContact O-N 2.97Å; F972-D974 VanDerWaalsContact C-N 3.33Å; F972-D974 PolarHBondContact O-N 3.22Å; F972-F975 HydrophobicContact CD2-CD1 4.01Å; F972-F975 AromaticContact CE2-CD1 3.83Å; F972-F975 HydrophobicContact CE2-CD1 3.83Å; F972-F975 HydrophobicContact CE2-CE1 4.22Å; F972-F975 WeakPolarHBondContact O-CB 3.38Å; F972-F975 PolarHBondContact O-N 2.99Å; F972-L976 HydrophobicContact CD1-CD1 3.81Å; F972-L976 HydrophobicContact CD1-CG 4.37Å; F972-L976 HydrophobicContact CE1-CD1 3.63Å; F972-L976 HydrophobicContact CE1-CD2 4.39Å; F972-L976 HydrophobicContact CE1-CG 4.18Å; F972-L976 HydrophobicContact CE2-CD2 4.46Å; F972-L976 HydrophobicContact CE2-CG 4.5Å; F972-L976 HydrophobicContact CG-CD1 4.49Å; F972-L976 HydrophobicContact CZ-CD1 4.14Å; F972-L976 HydrophobicContact CZ-CD2 4.07Å; F972-L976 HydrophobicContact CZ-CG 4.23Å; F972-L976 VanDerWaalsContact O-CG 3.28Å; F972-L976 WeakPolarHBondContact O-CG 3.42Å; F972-L976 PolarHBondContact O-N 2.99Å |
| 973 | K | 70.4 | Confident | 72.2 | Confident | 110 Ų | 110 | 65.3 Ų | 65.3 | 48% | 0.478 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.7 | -41 | 173.7 | -179.2 | 176.7 | -178.5 | -173.8 | 0 | 111.8 | V584 D969 A970 L976 N977 | V584-K973 HydrophobicContact CB-CG 4.44Å; V584-K973 HydrophobicContact CG1-CD 4.18Å; V584-K973 HydrophobicContact CG1-CG 3.75Å; V584-K973 HydrophobicContact CG2-CB 4.49Å; V584-K973 HydrophobicContact CG2-CG 3.75Å; V584-K973 WeakPolarHBondContact CG2-O 3.18Å; D969-K973 WeakPolarHBondContact O-CB 3.47Å; D969-K973 PolarHBondContact O-N 2.93Å; A970-K973 WeakPolarHBondContact O-CB 3.3Å; A970-K973 PolarHBondContact O-N 3.01Å; K973-L976 PolarHBondContact O-N 2.94Å; K973-N977 WeakPolarHBondContact O-CB 3.33Å; K973-N977 VanDerWaalsContact O-CG 3.31Å; K973-N977 PolarHBondContact O-N 2.98Å; K973-N977 PolarHBondContact O-ND2 2.99Å |
| 974 | D | 71.7 | Confident | 70.6 | Confident | 111 Ų | 111 | 66.5 Ų | 66.5 | 59% | 0.594 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -66 | -42.1 | 177 | -71.3 | -19.1 | 0 | 0 | 0 | 111.7 | A970 E971 F972 N977 G978 | A970-D974 PolarHBondContact O-N 3.08Å; E971-D974 PolarHBondContact O-N 3.12Å; F972-D974 VanDerWaalsContact C-N 3.33Å; F972-D974 PolarHBondContact O-N 3.22Å; D974-N977 PolarHBondContact O-N 2.89Å; D974-G978 PolarHBondContact O-N 3.25Å |
| 975 | F | 71.1 | Confident | 68.9 | Low | 37 Ų | 37 | 67.2 Ų | 67.2 | 16% | 0.162 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -56.1 | -51.5 | 171.7 | 169.6 | -102.7 | 0 | 0 | 0 | 111.7 | I617 L621 L854 E971 F972 N977 G978 E979 | I617-F975 HydrophobicContact CG2-CE1 3.89Å; I617-F975 HydrophobicContact CG2-CZ 4.34Å; L621-F975 HydrophobicContact CD2-CZ 4.5Å; L854-F975 HydrophobicContact CD1-CD2 4.16Å; L854-F975 HydrophobicContact CD1-CG 4.4Å; E971-F975 PolarHBondContact O-N 2.95Å; E971-F975 VanDerWaalsContact O-N 3.09Å; F972-F975 HydrophobicContact CD2-CD1 4.01Å; F972-F975 AromaticContact CE2-CD1 3.83Å; F972-F975 HydrophobicContact CE2-CD1 3.83Å; F972-F975 HydrophobicContact CE2-CE1 4.22Å; F972-F975 WeakPolarHBondContact O-CB 3.38Å; F972-F975 PolarHBondContact O-N 2.99Å; F975-N977 VanDerWaalsContact C-N 3.32Å; F975-N977 PolarHBondContact O-N 2.87Å; F975-G978 PolarHBondContact O-N 2.9Å; F975-G978 VanDerWaalsContact O-N 3.15Å; F975-E979 HydrophobicContact CE1-CG 4.42Å; F975-E979 HydrophobicContact CE2-CG 4.06Å; F975-E979 HydrophobicContact CZ-CG 3.99Å; F975-E979 PolarHBondContact O-N 2.02Å; F975-E979 VanDerWaalsContact O-N 3.13Å |
| 976 | L | 60.9 | Low | 67.1 | Low | 4 Ų | 4 | 64.3 Ų | 64.3 | 2% | 0.021 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.2 | -34.9 | -179.7 | -67.7 | 173.5 | 0 | 0 | 0 | 112.8 | L583 V584 T587 I617 F972 K973 S980 | L583-L976 HydrophobicContact CB-CB 3.96Å; L583-L976 HydrophobicContact CB-CD2 3.86Å; L583-L976 HydrophobicContact CB-CG 4.41Å; V584-L976 HydrophobicContact CB-CB 4.48Å; V584-L976 HydrophobicContact CG2-CB 3.58Å; V584-L976 HydrophobicContact CG2-CD1 4.4Å; T587-L976 HydrophobicContact CG2-CD1 4.18Å; T587-L976 WeakPolarHBondContact OG1-CD1 3.49Å; I617-L976 HydrophobicContact CD1-CD2 3.86Å; I617-L976 HydrophobicContact CG1-CD2 4.26Å; F972-L976 HydrophobicContact CD1-CD1 3.81Å; F972-L976 HydrophobicContact CD1-CG 4.37Å; F972-L976 HydrophobicContact CE1-CD1 3.63Å; F972-L976 HydrophobicContact CE1-CD2 4.39Å; F972-L976 HydrophobicContact CE1-CG 4.18Å; F972-L976 HydrophobicContact CE2-CD2 4.46Å; F972-L976 HydrophobicContact CE2-CG 4.5Å; F972-L976 HydrophobicContact CG-CD1 4.49Å; F972-L976 HydrophobicContact CZ-CD1 4.14Å; F972-L976 HydrophobicContact CZ-CD2 4.07Å; F972-L976 HydrophobicContact CZ-CG 4.23Å; F972-L976 VanDerWaalsContact O-CG 3.28Å; F972-L976 WeakPolarHBondContact O-CG 3.42Å; F972-L976 PolarHBondContact O-N 2.99Å; K973-L976 PolarHBondContact O-N 2.94Å; L976-S980 VanDerWaalsContact O-CB 3.22Å; L976-S980 WeakPolarHBondContact O-CB 3.37Å; L976-S980 PolarHBondContact O-N 3.2Å; L976-S980 PolarHBondContact O-OG 3.28Å |
| 977 | N | 65.4 | Low | 65.5 | Low | 63 Ų | 63 | 61.5 Ų | 61.5 | 34% | 0.337 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.1 | -37.4 | 173.9 | -79.4 | -32.8 | 0 | 0 | 0 | 112.4 | V584 K973 D974 F975 S980 K981 | V584-N977 WeakPolarHBondContact CG2-OD1 3.46Å; K973-N977 WeakPolarHBondContact O-CB 3.33Å; K973-N977 VanDerWaalsContact O-CG 3.31Å; K973-N977 PolarHBondContact O-N 2.98Å; K973-N977 PolarHBondContact O-ND2 2.99Å; D974-N977 PolarHBondContact O-N 2.89Å; F975-N977 VanDerWaalsContact C-N 3.32Å; F975-N977 PolarHBondContact O-N 2.87Å; N977-S980 WeakPolarHBondContact O-CB 3.45Å; N977-K981 WeakPolarHBondContact O-CG 3.41Å; N977-K981 PolarHBondContact O-N 2.95Å |
| 978 | G | 61.3 | Low | 64.1 | Low | 44 Ų | 44 | 63 Ų | 63 | 45% | 0.454 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.3 | -47.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | D974 F975 K982 | D974-G978 PolarHBondContact O-N 3.25Å; F975-G978 PolarHBondContact O-N 2.9Å; F975-G978 VanDerWaalsContact O-N 3.15Å; G978-K982 PolarHBondContact O-N 2.95Å |
| 979 | E | 55.8 | Low | 62.5 | Low | 22 Ų | 22 | 63 Ų | 63 | 10% | 0.103 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -70 | -37.6 | 179.3 | -61.1 | -57.2 | 174.8 | 0 | 0 | 112.7 | L583 H620 N624 F975 K981 K982 H983 | L583-E979 HydrophobicContact CD1-CB 3.47Å; L583-E979 VanDerWaalsContact CD1-CB 3.47Å; H620-E979 IonicContact CD2-OE1 3.32Å; H620-E979 IonicContact CD2-OE2 2.69Å; H620-E979 PolarHBondContact CD2-OE2 3.34Å; H620-E979 IonicContact NE2-OE2 2.66Å; H620-E979 PolarHBondContact NE2-OE2 2.64Å; N624-E979 PolarHBondContact ND2-OE1 3.06Å; F975-E979 HydrophobicContact CE1-CG 4.42Å; F975-E979 HydrophobicContact CE2-CG 4.06Å; F975-E979 HydrophobicContact CZ-CG 3.99Å; F975-E979 PolarHBondContact O-N 2.02Å; F975-E979 VanDerWaalsContact O-N 3.13Å; E979-K981 VanDerWaalsContact C-N 3.33Å; E979-K981 PolarHBondContact O-N 3.05Å; E979-K982 WeakPolarHBondContact O-CB 3.29Å; E979-K982 PolarHBondContact O-N 3.11Å; E979-K982 VanDerWaalsContact O-N 3.14Å; E979-H983 PolarHBondContact O-CD2 2.93Å |
| 980 | S | 58.1 | Low | 61.2 | Low | 10 Ų | 10 | 59.9 Ų | 59.9 | 7% | 0.07 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -54.2 | -46.5 | 175 | -71.4 | 0 | 0 | 0 | 0 | 112.7 | N581 L583 L976 N977 K982 | N581-S980 VanDerWaalsContact O-CA 3.3Å; N581-S980 WeakPolarHBondContact O-CA 3.19Å; N581-S980 WeakPolarHBondContact O-CB 3.49Å; N581-S980 PolarHBondContact O-OG 3.1Å; L583-S980 WeakPolarHBondContact CB-OG 3.45Å; L583-S980 PolarHBondContact N-OG 3.08Å; L976-S980 VanDerWaalsContact O-CB 3.22Å; L976-S980 WeakPolarHBondContact O-CB 3.37Å; L976-S980 PolarHBondContact O-N 3.2Å; L976-S980 PolarHBondContact O-OG 3.28Å; N977-S980 WeakPolarHBondContact O-CB 3.45Å; S980-K982 VanDerWaalsContact C-N 3.28Å; S980-K982 PolarHBondContact O-N 2.83Å |
| 981 | K | 62.4 | Low | 59.9 | Low | 161 Ų | 161 | 57.7 Ų | 57.7 | 70% | 0.7 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -66.9 | -28.4 | 179.7 | -74.1 | 178.8 | 178.4 | -177.5 | 0 | 113.4 | N977 E979 H983 | N977-K981 WeakPolarHBondContact O-CG 3.41Å; N977-K981 PolarHBondContact O-N 2.95Å; E979-K981 VanDerWaalsContact C-N 3.33Å; E979-K981 PolarHBondContact O-N 3.05Å; K981-H983 VanDerWaalsContact C-N 3.31Å; K981-H983 PolarHBondContact O-N 3.06Å |
| 982 | K | 56.8 | Low | 58.4 | Low | 103 Ų | 103 | 53.2 Ų | 53.2 | 45% | 0.448 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -72 | -27.3 | -175 | -171.7 | 176.2 | 179.5 | 171 | 0 | 112.9 | N624 G978 E979 S980 | N624-K982 PolarHBondContact OD1-NZ 3.29Å; G978-K982 PolarHBondContact O-N 2.95Å; E979-K982 WeakPolarHBondContact O-CB 3.29Å; E979-K982 PolarHBondContact O-N 3.11Å; E979-K982 VanDerWaalsContact O-N 3.14Å; S980-K982 VanDerWaalsContact C-N 3.28Å; S980-K982 PolarHBondContact O-N 2.83Å |
| 983 | H | 51.4 | Low | 57.1 | Low | 7 Ų | 7 | 55 Ų | 55 | 3% | 0.032 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -109.8 | 5.5 | -174.8 | -66.1 | -71.3 | 0 | 0 | 0 | 113.9 | F499 N581 H620 E979 K981 G985 E986 | F499-H983 AromaticContact CD1-ND1 3.78Å; F499-H983 AromaticContact CE1-ND1 3.84Å; N581-H983 PolarHBondContact OD1-O 2.88Å; H620-H983 AromaticContact CE1-CD2 3.64Å; H620-H983 AromaticContact CE1-CE1 3.35Å; H620-H983 PolarHBondContact CE1-CE1 3.34Å; H620-H983 AromaticContact CE1-NE2 2.73Å; H620-H983 PolarHBondContact CE1-NE2 3.43Å; H620-H983 AromaticContact ND1-CE1 3.94Å; H620-H983 AromaticContact ND1-NE2 3.44Å; H620-H983 PolarHBondContact ND1-NE2 2.86Å; H620-H983 AromaticContact NE2-NE2 3.33Å; H620-H983 PolarHBondContact NE2-NE2 3.42Å; E979-H983 PolarHBondContact O-CD2 2.93Å; K981-H983 VanDerWaalsContact C-N 3.31Å; K981-H983 PolarHBondContact O-N 3.06Å; H983-G985 PolarHBondContact O-N 3.44Å; H983-G985 VanDerWaalsContact O-N 3.14Å; H983-E986 IonicContact CE1-OE1 3.56Å; H983-E986 IonicContact CE1-OE2 2.89Å; H983-E986 IonicContact CG-OE2 3.68Å; H983-E986 VanDerWaalsContact ND1-CD 3.25Å; H983-E986 IonicContact ND1-OE1 2.78Å; H983-E986 IonicContact ND1-OE2 3.86Å; H983-E986 PolarHBondContact ND1-OE2 2.82Å; H983-E986 PolarHBondContact O-N 2.89Å; H983-E986 VanDerWaalsContact O-N 3.09Å |
| 984 | E | 55 | Low | 56.3 | Low | 149 Ų | 149 | 57.8 Ų | 57.8 | 70% | 0.696 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 117.9 | 176.3 | -166.7 | 170.6 | -162.1 | 0 | 0 | 110.2 | ||
| 985 | G | 51.9 | Low | 55.3 | Low | 49 Ų | 49 | 57 Ų | 57 | 51% | 0.505 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.5 | 6.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | H983 | H983-G985 PolarHBondContact O-N 3.44Å; H983-G985 VanDerWaalsContact O-N 3.14Å |
| 986 | E | 51.7 | Low | 54.3 | Low | 53 Ų | 53 | 57 Ų | 57 | 25% | 0.248 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -78.6 | -20.3 | 171.2 | -71.1 | -167 | 168.1 | 0 | 0 | 113.3 | H983 | H983-E986 IonicContact CE1-OE1 3.56Å; H983-E986 IonicContact CE1-OE2 2.89Å; H983-E986 IonicContact CG-OE2 3.68Å; H983-E986 VanDerWaalsContact ND1-CD 3.25Å; H983-E986 IonicContact ND1-OE1 2.78Å; H983-E986 IonicContact ND1-OE2 3.86Å; H983-E986 PolarHBondContact ND1-OE2 2.82Å; H983-E986 PolarHBondContact O-N 2.89Å; H983-E986 VanDerWaalsContact O-N 3.09Å |
| 987 | F | 51.6 | Low | 53.9 | Low | 21 Ų | 21 | 57.7 Ų | 57.7 | 9% | 0.092 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -122.8 | 141.6 | -175.8 | -56.4 | -78.9 | 0 | 0 | 0 | 111.9 | F499 F503 I514 I580 E989 | F499-F987 HydrophobicContact CD1-CE2 4.45Å; F499-F987 AromaticContact CD1-CZ 3.95Å; F499-F987 HydrophobicContact CD1-CZ 3.95Å; F499-F987 HydrophobicContact CE1-CE2 4.19Å; F499-F987 AromaticContact CE1-CZ 3.89Å; F499-F987 HydrophobicContact CE1-CZ 3.89Å; F503-F987 HydrophobicContact CE2-CZ 4.24Å; I514-F987 HydrophobicContact CG2-CD1 4.48Å; I580-F987 HydrophobicContact CG2-CB 4.49Å; I580-F987 HydrophobicContact CG2-CD2 3.52Å; I580-F987 HydrophobicContact CG2-CE2 3.99Å; I580-F987 HydrophobicContact CG2-CG 4.16Å; F987-E989 PolarHBondContact O-N 2.86Å |
| 988 | N | 53.7 | Low | 53.3 | Low | 54 Ų | 54 | 60 Ų | 60 | 29% | 0.289 | 31% | 0.306 | S | S | . | . | trans | -83.4 | 91.9 | 175.3 | -174 | -16.8 | 0 | 0 | 0 | 110.9 | I514 I516 A990 A991 A992 | I514-N988 WeakPolarHBondContact O-CB 3.12Å; I514-N988 PolarHBondContact O-N 3.41Å; I516-N988 HydrophobicContact CG1-CB 4.23Å; N988-A990 PolarHBondContact O-N 2.84Å; N988-A990 WeakPolarHBondContact OD1-CB 3.24Å; N988-A990 PolarHBondContact OD1-N 3.31Å; N988-A990 VanDerWaalsContact OD1-N 3.13Å; N988-A991 HydrophobicContact CB-CB 4.18Å; N988-A991 PolarHBondContact O-N 2.86Å; N988-A991 PolarHBondContact OD1-N 2.83Å; N988-A991 VanDerWaalsContact OD1-N 3.1Å; N988-A992 PolarHBondContact O-N 2.64Å | ||
| 989 | E | 50.7 | Low | 52.8 | Low | 61 Ų | 61 | 60.3 Ų | 60.3 | 29% | 0.285 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.5 | -32 | 178.5 | -62.8 | 179.3 | -176.9 | 0 | 0 | 112.4 | N581 F987 A992 L993 | N581-E989 PolarHBondContact ND2-OE1 2.95Å; N581-E989 VanDerWaalsContact ND2-OE1 3.16Å; F987-E989 PolarHBondContact O-N 2.86Å; E989-A992 PolarHBondContact O-N 2.98Å; E989-L993 WeakPolarHBondContact O-CB 3.47Å; E989-L993 VanDerWaalsContact O-CG 3.29Å; E989-L993 WeakPolarHBondContact O-CG 3.19Å; E989-L993 PolarHBondContact O-N 2.67Å |
| 990 | A | 51 | Low | 52.5 | Low | 32 Ų | 32 | 60.2 Ų | 60.2 | 26% | 0.264 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -69.6 | -40 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | W538 N988 A992 R994 | W538-A990 HydrophobicContact CZ2-CB 4.24Å; N988-A990 PolarHBondContact O-N 2.84Å; N988-A990 WeakPolarHBondContact OD1-CB 3.24Å; N988-A990 PolarHBondContact OD1-N 3.31Å; N988-A990 VanDerWaalsContact OD1-N 3.13Å; A990-A992 VanDerWaalsContact C-N 3.33Å; A990-R994 WeakPolarHBondContact O-CG 3.14Å; A990-R994 PolarHBondContact O-N 3.37Å |
| 991 | A | 50.3 | Low | 52.6 | Low | 17 Ų | 17 | 62.8 Ų | 62.8 | 14% | 0.14 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65 | -41.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | H513 I514 N988 R994 E995 | H513-A991 VanDerWaalsContact O-CB 3.23Å; H513-A991 WeakPolarHBondContact O-CB 3.5Å; I514-A991 HydrophobicContact CG1-CB 4.18Å; N988-A991 HydrophobicContact CB-CB 4.18Å; N988-A991 PolarHBondContact O-N 2.86Å; N988-A991 PolarHBondContact OD1-N 2.83Å; N988-A991 VanDerWaalsContact OD1-N 3.1Å; A991-R994 PolarHBondContact O-N 2.88Å; A991-E995 PolarHBondContact O-N 2.83Å |
| 992 | A | 48.8 | Very low | 52.1 | Low | 4 Ų | 4 | 64 Ų | 64 | 3% | 0.033 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.6 | -41.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L577 N988 E989 A990 R994 E995 L996 | L577-A992 HydrophobicContact CB-CB 3.66Å; L577-A992 HydrophobicContact CD1-CB 3.89Å; L577-A992 WeakPolarHBondContact CD1-O 2.98Å; L577-A992 HydrophobicContact CD2-CB 4.04Å; L577-A992 HydrophobicContact CG-CB 4.05Å; N988-A992 PolarHBondContact O-N 2.64Å; E989-A992 PolarHBondContact O-N 2.98Å; A990-A992 VanDerWaalsContact C-N 3.33Å; A992-R994 PolarHBondContact O-N 2.83Å; A992-E995 PolarHBondContact O-N 3.47Å; A992-L996 PolarHBondContact O-N 2.81Å; A992-L996 VanDerWaalsContact O-N 3.08Å |
| 993 | L | 50 | Low | 51.9 | Low | 44 Ų | 44 | 63 Ų | 63 | 23% | 0.23 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65 | -34.5 | 174.5 | -76.2 | 170.7 | 0 | 0 | 0 | 113.2 | K578 E989 L996 F997 | K578-L993 HydrophobicContact CB-CD2 4Å; K578-L993 HydrophobicContact CD-CD2 4.34Å; K578-L993 HydrophobicContact CG-CD1 4.4Å; K578-L993 HydrophobicContact CG-CD2 4.16Å; E989-L993 WeakPolarHBondContact O-CB 3.47Å; E989-L993 VanDerWaalsContact O-CG 3.29Å; E989-L993 WeakPolarHBondContact O-CG 3.19Å; E989-L993 PolarHBondContact O-N 2.67Å; L993-L996 PolarHBondContact O-N 2.64Å; L993-F997 WeakPolarHBondContact O-CB 3.41Å; L993-F997 PolarHBondContact O-N 2.84Å |
| 994 | R | 52.6 | Low | 52.4 | Low | 167 Ų | 167 | 63.3 Ų | 63.3 | 63% | 0.63 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -64.8 | -43.5 | 176.1 | -74.3 | 176.2 | -170.4 | -159.6 | 3.3 | 111.8 | A990 A991 A992 L996 F997 K998 | A990-R994 WeakPolarHBondContact O-CG 3.14Å; A990-R994 PolarHBondContact O-N 3.37Å; A991-R994 PolarHBondContact O-N 2.88Å; A992-R994 PolarHBondContact O-N 2.83Å; R994-L996 VanDerWaalsContact C-N 3.35Å; R994-F997 PolarHBondContact O-N 2.81Å; R994-K998 PolarHBondContact O-N 2.77Å |
| 995 | E | 50.9 | Low | 52.7 | Low | 95 Ų | 95 | 60.3 Ų | 60.3 | 44% | 0.444 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.9 | -39.2 | 175.5 | -68.5 | -51.8 | 132.7 | 0 | 0 | 111.8 | A991 A992 F997 K998 | A991-E995 PolarHBondContact O-N 2.83Å; A992-E995 PolarHBondContact O-N 3.47Å; E995-F997 VanDerWaalsContact C-N 3.34Å; E995-F997 PolarHBondContact O-N 2.89Å; E995-K998 WeakPolarHBondContact O-CB 3.28Å; E995-K998 PolarHBondContact O-N 2.94Å; E995-K998 WeakPolarHBondContact OE1-CE 3.02Å; E995-K998 IonicContact OE1-NZ 3.86Å; E995-K998 PolarHBondContact OE1-NZ 3.42Å; E995-K998 WeakPolarHBondContact OE2-CD 2.89Å; E995-K998 IonicContact OE2-NZ 2.74Å; E995-K998 PolarHBondContact OE2-NZ 3.11Å |
| 996 | L | 49.6 | Very low | 52.8 | Low | 36 Ų | 36 | 62.7 Ų | 62.7 | 19% | 0.188 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65 | -38.9 | 177.3 | -165.4 | 141.3 | 0 | 0 | 0 | 111.9 | L559 L577 A992 L993 R994 K998 F999 T1000 | L559-L996 HydrophobicContact CB-CD1 4.13Å; L559-L996 HydrophobicContact CB-CD2 4.13Å; L559-L996 HydrophobicContact CB-CG 4.28Å; L559-L996 HydrophobicContact CD1-CD2 4.08Å; L559-L996 HydrophobicContact CD2-CD2 4.45Å; L559-L996 HydrophobicContact CD2-CG 4.13Å; L559-L996 HydrophobicContact CG-CD2 4.45Å; L577-L996 HydrophobicContact CB-CD1 4.41Å; L577-L996 HydrophobicContact CD1-CB 4.46Å; L577-L996 HydrophobicContact CD1-CD1 4.27Å; A992-L996 PolarHBondContact O-N 2.81Å; A992-L996 VanDerWaalsContact O-N 3.08Å; L993-L996 PolarHBondContact O-N 2.64Å; R994-L996 VanDerWaalsContact C-N 3.35Å; L996-K998 VanDerWaalsContact C-N 3.32Å; L996-K998 PolarHBondContact O-N 3.43Å; L996-F999 WeakPolarHBondContact O-CB 3.1Å; L996-F999 PolarHBondContact O-N 2.83Å; L996-F999 VanDerWaalsContact O-N 3.12Å; L996-T1000 PolarHBondContact O-N 2.99Å; L996-T1000 VanDerWaalsContact O-N 3.12Å; L996-T1000 PolarHBondContact O-OG1 2.92Å |
| 997 | F | 52.2 | Low | 52.9 | Low | 20 Ų | 20 | 62.5 Ų | 62.5 | 9% | 0.088 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.6 | -34.5 | 177.1 | -176.9 | -96 | 0 | 0 | 0 | 112.9 | L993 R994 E995 F999 T1000 Q1001 V1027 F1031 | L993-F997 WeakPolarHBondContact O-CB 3.41Å; L993-F997 PolarHBondContact O-N 2.84Å; R994-F997 PolarHBondContact O-N 2.81Å; E995-F997 VanDerWaalsContact C-N 3.34Å; E995-F997 PolarHBondContact O-N 2.89Å; F997-F999 PolarHBondContact O-N 2.84Å; F997-T1000 PolarHBondContact O-N 2.82Å; F997-T1000 VanDerWaalsContact O-N 3.13Å; F997-Q1001 HydrophobicContact CE1-CB 4.29Å; F997-Q1001 PolarHBondContact O-N 3.24Å; F997-V1027 HydrophobicContact CD2-CG1 4.23Å; F997-V1027 HydrophobicContact CE2-CG1 3.78Å; F997-F1031 HydrophobicContact CB-CE1 4.44Å; F997-F1031 HydrophobicContact CB-CZ 4.3Å; F997-F1031 HydrophobicContact CD1-CB 4.11Å; F997-F1031 AromaticContact CD1-CD1 3.49Å; F997-F1031 HydrophobicContact CD1-CD1 3.49Å; F997-F1031 VanDerWaalsContact CD1-CD1 3.49Å; F997-F1031 HydrophobicContact CD1-CD2 4.06Å; F997-F1031 AromaticContact CD1-CE1 3.8Å; F997-F1031 HydrophobicContact CD1-CE1 3.8Å; F997-F1031 HydrophobicContact CD1-CE2 4.33Å; F997-F1031 AromaticContact CD1-CG 3.62Å; F997-F1031 HydrophobicContact CD1-CG 3.62Å; F997-F1031 HydrophobicContact CD1-CZ 4.2Å; F997-F1031 AromaticContact CD2-CD2 3.98Å; F997-F1031 HydrophobicContact CD2-CD2 3.98Å; F997-F1031 HydrophobicContact CD2-CE2 4.05Å; F997-F1031 HydrophobicContact CD2-CG 4.35Å; F997-F1031 HydrophobicContact CD2-CZ 4.48Å; F997-F1031 HydrophobicContact CE1-CB 3.28Å; F997-F1031 AromaticContact CE1-CD1 3.57Å; F997-F1031 HydrophobicContact CE1-CD1 3.57Å; F997-F1031 AromaticContact CE1-CD2 3.89Å; F997-F1031 HydrophobicContact CE1-CD2 3.89Å; F997-F1031 HydrophobicContact CE1-CE1 4.33Å; F997-F1031 AromaticContact CE1-CG 3.3Å; F997-F1031 HydrophobicContact CE1-CG 3.3Å; F997-F1031 HydrophobicContact CE2-CB 4.29Å; F997-F1031 AromaticContact CE2-CD2 3.8Å; F997-F1031 HydrophobicContact CE2-CD2 3.8Å; F997-F1031 HydrophobicContact CE2-CE2 4.33Å; F997-F1031 HydrophobicContact CE2-CG 4.09Å; F997-F1031 HydrophobicContact CG-CD1 4.15Å; F997-F1031 HydrophobicContact CG-CD2 4.11Å; F997-F1031 HydrophobicContact CG-CE1 4.09Å; F997-F1031 HydrophobicContact CG-CE2 4.05Å; F997-F1031 HydrophobicContact CG-CG 4.14Å; F997-F1031 HydrophobicContact CG-CZ 4.04Å; F997-F1031 HydrophobicContact CZ-CB 3.38Å; F997-F1031 HydrophobicContact CZ-CD1 4.28Å; F997-F1031 AromaticContact CZ-CD2 3.75Å; F997-F1031 HydrophobicContact CZ-CD2 3.75Å; F997-F1031 AromaticContact CZ-CG 3.55Å; F997-F1031 HydrophobicContact CZ-CG 3.55Å |
| 998 | K | 54.2 | Low | 53.4 | Low | 111 Ų | 111 | 65 Ų | 65 | 48% | 0.483 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -57.9 | -36.8 | 173.7 | -66.5 | 175.3 | -174 | 168.7 | 0 | 111.8 | R994 E995 L996 R1002 | R994-K998 PolarHBondContact O-N 2.77Å; E995-K998 WeakPolarHBondContact O-CB 3.28Å; E995-K998 PolarHBondContact O-N 2.94Å; E995-K998 WeakPolarHBondContact OE1-CE 3.02Å; E995-K998 IonicContact OE1-NZ 3.86Å; E995-K998 PolarHBondContact OE1-NZ 3.42Å; E995-K998 WeakPolarHBondContact OE2-CD 2.89Å; E995-K998 IonicContact OE2-NZ 2.74Å; E995-K998 PolarHBondContact OE2-NZ 3.11Å; L996-K998 VanDerWaalsContact C-N 3.32Å; L996-K998 PolarHBondContact O-N 3.43Å; K998-R1002 PolarHBondContact O-N 3.01Å |
| 999 | F | 49.8 | Very low | 53.7 | Low | 51 Ų | 51 | 69.1 Ų | 69.1 | 22% | 0.224 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70 | -46.3 | 174.5 | -171.6 | -79.1 | 0 | 0 | 0 | 111.5 | L559 N561 L996 F997 Q1001 R1002 Y1003 | L559-F999 HydrophobicContact CD1-CD1 4.21Å; L559-F999 HydrophobicContact CD2-CB 4.19Å; L559-F999 HydrophobicContact CD2-CD1 3.36Å; L559-F999 HydrophobicContact CD2-CE1 3.8Å; L559-F999 HydrophobicContact CD2-CG 3.85Å; L559-F999 HydrophobicContact CG-CD1 4.17Å; L559-F999 HydrophobicContact CG-CE1 4.41Å; N561-F999 HydrophobicContact CB-CE2 4.38Å; N561-F999 HydrophobicContact CB-CZ 4.45Å; L996-F999 WeakPolarHBondContact O-CB 3.1Å; L996-F999 PolarHBondContact O-N 2.83Å; L996-F999 VanDerWaalsContact O-N 3.12Å; F997-F999 PolarHBondContact O-N 2.84Å; F999-Q1001 VanDerWaalsContact C-N 3.26Å; F999-Q1001 PolarHBondContact O-N 2.9Å; F999-R1002 WeakPolarHBondContact O-CB 3.19Å; F999-R1002 PolarHBondContact O-N 2.99Å; F999-Y1003 AromaticContact CD1-CD2 3.65Å; F999-Y1003 HydrophobicContact CD1-CD2 3.65Å; F999-Y1003 HydrophobicContact CD1-CE2 4.18Å; F999-Y1003 HydrophobicContact CD2-CD2 4.09Å; F999-Y1003 AromaticContact CD2-CE2 3.78Å; F999-Y1003 HydrophobicContact CD2-CE2 3.78Å; F999-Y1003 AromaticContact CE1-CD2 3.38Å; F999-Y1003 HydrophobicContact CE1-CD2 3.38Å; F999-Y1003 AromaticContact CE1-CE2 3.81Å; F999-Y1003 HydrophobicContact CE1-CE2 3.81Å; F999-Y1003 HydrophobicContact CE1-CG 4.27Å; F999-Y1003 AromaticContact CE2-CD2 3.85Å; F999-Y1003 HydrophobicContact CE2-CD2 3.85Å; F999-Y1003 AromaticContact CE2-CE2 3.36Å; F999-Y1003 HydrophobicContact CE2-CE2 3.36Å; F999-Y1003 HydrophobicContact CG-CD2 4.02Å; F999-Y1003 HydrophobicContact CG-CE2 4.19Å; F999-Y1003 AromaticContact CZ-CD2 3.49Å; F999-Y1003 HydrophobicContact CZ-CD2 3.49Å; F999-Y1003 VanDerWaalsContact CZ-CD2 3.49Å; F999-Y1003 AromaticContact CZ-CE2 3.39Å; F999-Y1003 HydrophobicContact CZ-CE2 3.39Å; F999-Y1003 HydrophobicContact CZ-CG 4.5Å; F999-Y1003 WeakPolarHBondContact O-CD2 3.46Å; F999-Y1003 PolarHBondContact O-N 2.86Å; F999-Y1003 VanDerWaalsContact O-N 3.13Å |
| 1000 | T | 50.9 | Low | 53.8 | Low | 20 Ų | 20 | 72.9 Ų | 72.9 | 12% | 0.123 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58 | -38.9 | 176.7 | -53.2 | 0 | 0 | 0 | 0 | 111.9 | L559 L996 F997 F1004 I1007 L1024 | L559-T1000 WeakPolarHBondContact CD1-OG1 3.43Å; L996-T1000 PolarHBondContact O-N 2.99Å; L996-T1000 VanDerWaalsContact O-N 3.12Å; L996-T1000 PolarHBondContact O-OG1 2.92Å; F997-T1000 PolarHBondContact O-N 2.82Å; F997-T1000 VanDerWaalsContact O-N 3.13Å; T1000-F1004 VanDerWaalsContact O-CA 3.22Å; T1000-F1004 WeakPolarHBondContact O-CA 3.23Å; T1000-F1004 WeakPolarHBondContact O-CB 2.91Å; T1000-F1004 PolarHBondContact O-N 2.82Å; T1000-I1007 HydrophobicContact CG2-CD1 4.26Å; T1000-L1024 HydrophobicContact CG2-CD1 4.23Å |
| 1001 | Q | 59 | Low | 53.9 | Low | 64 Ų | 64 | 72.3 Ų | 72.3 | 30% | 0.299 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.9 | -38.8 | 175.6 | -172.3 | 170.2 | 28.8 | 0 | 0 | 111.9 | F997 F999 D1032 | F997-Q1001 HydrophobicContact CE1-CB 4.29Å; F997-Q1001 PolarHBondContact O-N 3.24Å; F999-Q1001 VanDerWaalsContact C-N 3.26Å; F999-Q1001 PolarHBondContact O-N 2.9Å; Q1001-D1032 PolarHBondContact NE2-OD1 2.91Å |
| 1002 | R | 52.9 | Low | 54.4 | Low | 186 Ų | 186 | 74.5 Ų | 74.5 | 70% | 0.702 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -67.6 | -34.8 | -179 | -174.3 | 174.4 | -177.3 | 172.3 | 1.5 | 113.5 | K998 F999 | K998-R1002 PolarHBondContact O-N 3.01Å; F999-R1002 WeakPolarHBondContact O-CB 3.19Å; F999-R1002 PolarHBondContact O-N 2.99Å |
| 1003 | Y | 51.1 | Low | 54.5 | Low | 81 Ų | 81 | 78.5 Ų | 78.5 | 32% | 0.318 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | 21.8 | -178.3 | -60.3 | -76.2 | 0 | 0 | 0 | 112.7 | F999 T1005 E1006 I1007 | F999-Y1003 AromaticContact CD1-CD2 3.65Å; F999-Y1003 HydrophobicContact CD1-CD2 3.65Å; F999-Y1003 HydrophobicContact CD1-CE2 4.18Å; F999-Y1003 HydrophobicContact CD2-CD2 4.09Å; F999-Y1003 AromaticContact CD2-CE2 3.78Å; F999-Y1003 HydrophobicContact CD2-CE2 3.78Å; F999-Y1003 AromaticContact CE1-CD2 3.38Å; F999-Y1003 HydrophobicContact CE1-CD2 3.38Å; F999-Y1003 AromaticContact CE1-CE2 3.81Å; F999-Y1003 HydrophobicContact CE1-CE2 3.81Å; F999-Y1003 HydrophobicContact CE1-CG 4.27Å; F999-Y1003 AromaticContact CE2-CD2 3.85Å; F999-Y1003 HydrophobicContact CE2-CD2 3.85Å; F999-Y1003 AromaticContact CE2-CE2 3.36Å; F999-Y1003 HydrophobicContact CE2-CE2 3.36Å; F999-Y1003 HydrophobicContact CG-CD2 4.02Å; F999-Y1003 HydrophobicContact CG-CE2 4.19Å; F999-Y1003 AromaticContact CZ-CD2 3.49Å; F999-Y1003 HydrophobicContact CZ-CD2 3.49Å; F999-Y1003 VanDerWaalsContact CZ-CD2 3.49Å; F999-Y1003 AromaticContact CZ-CE2 3.39Å; F999-Y1003 HydrophobicContact CZ-CE2 3.39Å; F999-Y1003 HydrophobicContact CZ-CG 4.5Å; F999-Y1003 WeakPolarHBondContact O-CD2 3.46Å; F999-Y1003 PolarHBondContact O-N 2.86Å; F999-Y1003 VanDerWaalsContact O-N 3.13Å; Y1003-T1005 VanDerWaalsContact C-N 3.26Å; Y1003-T1005 PolarHBondContact O-N 2.93Å; Y1003-E1006 WeakPolarHBondContact CA-OE2 3.5Å; Y1003-E1006 PolarHBondContact O-N 3.27Å; Y1003-I1007 WeakPolarHBondContact O-CB 3.36Å; Y1003-I1007 WeakPolarHBondContact O-CD1 3.43Å; Y1003-I1007 WeakPolarHBondContact O-CG1 3.27Å; Y1003-I1007 PolarHBondContact O-N 3.45Å |
| 1004 | F | 63.3 | Low | 54.6 | Low | 15 Ų | 15 | 80.8 Ų | 80.8 | 7% | 0.066 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -56.3 | -41.5 | -172.3 | -175.3 | -91.4 | 0 | 0 | 0 | 112.5 | T1000 K1008 L1024 K1028 | T1000-F1004 VanDerWaalsContact O-CA 3.22Å; T1000-F1004 WeakPolarHBondContact O-CA 3.23Å; T1000-F1004 WeakPolarHBondContact O-CB 2.91Å; T1000-F1004 PolarHBondContact O-N 2.82Å; F1004-K1008 HydrophobicContact CE1-CD 4.09Å; F1004-K1008 VanDerWaalsContact O-CB 3.24Å; F1004-K1008 WeakPolarHBondContact O-CB 3.36Å; F1004-K1008 PolarHBondContact O-N 2.9Å; F1004-L1024 HydrophobicContact CD2-CD1 4.36Å; F1004-L1024 HydrophobicContact CD2-CG 4.27Å; F1004-L1024 HydrophobicContact CE2-CD1 3.93Å; F1004-L1024 HydrophobicContact CE2-CD2 4.15Å; F1004-L1024 HydrophobicContact CE2-CG 3.53Å; F1004-L1024 WeakPolarHBondContact CE2-O 3.18Å; F1004-L1024 HydrophobicContact CZ-CD2 4.43Å; F1004-L1024 HydrophobicContact CZ-CG 3.98Å; F1004-K1028 HydrophobicContact CD1-CD 4.11Å; F1004-K1028 HydrophobicContact CD2-CB 4.4Å; F1004-K1028 HydrophobicContact CD2-CD 4.04Å; F1004-K1028 HydrophobicContact CE1-CD 3.91Å; F1004-K1028 HydrophobicContact CE2-CB 3.76Å; F1004-K1028 HydrophobicContact CE2-CD 3.81Å; F1004-K1028 HydrophobicContact CE2-CG 4.27Å; F1004-K1028 HydrophobicContact CG-CD 4.17Å; F1004-K1028 HydrophobicContact CZ-CB 4.15Å; F1004-K1028 HydrophobicContact CZ-CD 3.77Å |
| 1005 | T | 61.4 | Low | 54.3 | Low | 85 Ų | 85 | 75.4 Ų | 75.4 | 52% | 0.521 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.6 | -49 | 179 | 27.2 | 0 | 0 | 0 | 0 | 112.1 | Y1003 I1007 K1008 E1009 | Y1003-T1005 VanDerWaalsContact C-N 3.26Å; Y1003-T1005 PolarHBondContact O-N 2.93Å; T1005-I1007 VanDerWaalsContact C-N 3.34Å; T1005-I1007 PolarHBondContact O-N 3.42Å; T1005-K1008 PolarHBondContact O-N 2.81Å; T1005-E1009 WeakPolarHBondContact O-CG 3.37Å; T1005-E1009 PolarHBondContact O-N 2.64Å |
| 1006 | E | 52.6 | Low | 54.4 | Low | 99 Ų | 99 | 71.4 Ų | 71.4 | 46% | 0.463 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.2 | -37.2 | -179.3 | -62.9 | 90 | 148.5 | 0 | 0 | 111.3 | Y1003 K1010 | Y1003-E1006 WeakPolarHBondContact CA-OE2 3.5Å; Y1003-E1006 PolarHBondContact O-N 3.27Å; E1006-K1010 VanDerWaalsContact O-CB 3.3Å; E1006-K1010 WeakPolarHBondContact O-CB 3.4Å; E1006-K1010 PolarHBondContact O-N 2.94Å; E1006-K1010 VanDerWaalsContact O-N 3.08Å |
| 1007 | I | 55.3 | Low | 54.9 | Low | 49 Ų | 49 | 71.7 Ų | 71.7 | 25% | 0.251 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.8 | -47.3 | 173.9 | -67.6 | 165.5 | 0 | 0 | 0 | 109.9 | T1000 Y1003 T1005 K1010 L1011 L1024 | T1000-I1007 HydrophobicContact CG2-CD1 4.26Å; Y1003-I1007 WeakPolarHBondContact O-CB 3.36Å; Y1003-I1007 WeakPolarHBondContact O-CD1 3.43Å; Y1003-I1007 WeakPolarHBondContact O-CG1 3.27Å; Y1003-I1007 PolarHBondContact O-N 3.45Å; T1005-I1007 VanDerWaalsContact C-N 3.34Å; T1005-I1007 PolarHBondContact O-N 3.42Å; I1007-K1010 PolarHBondContact O-N 3.48Å; I1007-L1011 HydrophobicContact CG2-CD1 3.69Å; I1007-L1011 HydrophobicContact CG2-CG 4.34Å; I1007-L1011 WeakPolarHBondContact O-CB 3.17Å; I1007-L1011 WeakPolarHBondContact O-CD1 3.09Å; I1007-L1011 WeakPolarHBondContact O-CG 3.01Å; I1007-L1011 PolarHBondContact O-N 3.05Å; I1007-L1024 HydrophobicContact CG2-CD2 4.1Å |
| 1008 | K | 61.4 | Low | 55.2 | Low | 74 Ų | 74 | 73.9 Ų | 73.9 | 32% | 0.322 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63 | -42.7 | -179.9 | -169.2 | 175.9 | -175.2 | 170.3 | 0 | 112.3 | F1004 T1005 S1012 L1021 | F1004-K1008 HydrophobicContact CE1-CD 4.09Å; F1004-K1008 VanDerWaalsContact O-CB 3.24Å; F1004-K1008 WeakPolarHBondContact O-CB 3.36Å; F1004-K1008 PolarHBondContact O-N 2.9Å; T1005-K1008 PolarHBondContact O-N 2.81Å; K1008-S1012 WeakPolarHBondContact O-CB 3.34Å; K1008-S1012 PolarHBondContact O-N 2.91Å; K1008-S1012 PolarHBondContact O-OG 2.98Å; K1008-L1021 HydrophobicContact CG-CD2 3.65Å |
| 1009 | E | 59.7 | Low | 55.2 | Low | 140 Ų | 140 | 73.5 Ų | 73.5 | 65% | 0.654 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -63.9 | -43.9 | 176.5 | -76.2 | 178.7 | 178.2 | 0 | 0 | 111.8 | T1005 S1012 S1013 | T1005-E1009 WeakPolarHBondContact O-CG 3.37Å; T1005-E1009 PolarHBondContact O-N 2.64Å; E1009-S1012 PolarHBondContact O-N 3.3Å; E1009-S1013 PolarHBondContact O-N 3.2Å |
| 1010 | K | 53 | Low | 55.3 | Low | 141 Ų | 141 | 71.1 Ų | 71.1 | 61% | 0.613 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -73 | -31.7 | -178.7 | -158.6 | 147.1 | -173.6 | 171.6 | 0 | 113.4 | E1006 I1007 S1013 N1014 | E1006-K1010 VanDerWaalsContact O-CB 3.3Å; E1006-K1010 WeakPolarHBondContact O-CB 3.4Å; E1006-K1010 PolarHBondContact O-N 2.94Å; E1006-K1010 VanDerWaalsContact O-N 3.08Å; I1007-K1010 PolarHBondContact O-N 3.48Å; K1010-S1013 WeakPolarHBondContact CA-OG 3.42Å; K1010-S1013 PolarHBondContact O-OG 2.78Å; K1010-N1014 WeakPolarHBondContact O-CB 3.32Å; K1010-N1014 VanDerWaalsContact O-CG 3.28Å; K1010-N1014 PolarHBondContact O-N 3.32Å |
| 1011 | L | 53.3 | Low | 55.6 | Low | 19 Ų | 19 | 71.6 Ų | 71.6 | 10% | 0.099 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.8 | -47.3 | 168.7 | -76.4 | 167.3 | 0 | 0 | 0 | 110.3 | L548 W552 I1007 S1013 N1014 G1015 A1016 L1020 L1021 L1024 | L548-L1011 HydrophobicContact CD2-CD1 4.38Å; W552-L1011 HydrophobicContact CZ2-CD2 3.86Å; W552-L1011 VanDerWaalsContact NE1-CD2 3.31Å; I1007-L1011 HydrophobicContact CG2-CD1 3.69Å; I1007-L1011 HydrophobicContact CG2-CG 4.34Å; I1007-L1011 WeakPolarHBondContact O-CB 3.17Å; I1007-L1011 WeakPolarHBondContact O-CD1 3.09Å; I1007-L1011 WeakPolarHBondContact O-CG 3.01Å; I1007-L1011 PolarHBondContact O-N 3.05Å; L1011-S1013 VanDerWaalsContact C-N 3.35Å; L1011-S1013 PolarHBondContact O-N 2.71Å; L1011-N1014 PolarHBondContact O-N 2.58Å; L1011-G1015 PolarHBondContact O-N 3.24Å; L1011-A1016 HydrophobicContact CB-CB 3.92Å; L1011-A1016 HydrophobicContact CD2-CB 4.27Å; L1011-A1016 WeakPolarHBondContact O-CB 3.02Å; L1011-A1016 PolarHBondContact O-N 2.69Å; L1011-A1016 VanDerWaalsContact O-N 3.08Å; L1011-L1020 HydrophobicContact CD2-CD2 3.66Å; L1011-L1021 HydrophobicContact CB-CD2 4.23Å; L1011-L1024 HydrophobicContact CD1-CD2 3.79Å |
| 1012 | S | 60.1 | Low | 55.8 | Low | 63 Ų | 63 | 75.2 Ų | 75.2 | 44% | 0.441 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.4 | -38.9 | 179.1 | -54.6 | 0 | 0 | 0 | 0 | 112.2 | K1008 E1009 N1014 G1015 | K1008-S1012 WeakPolarHBondContact O-CB 3.34Å; K1008-S1012 PolarHBondContact O-N 2.91Å; K1008-S1012 PolarHBondContact O-OG 2.98Å; E1009-S1012 PolarHBondContact O-N 3.3Å; S1012-N1014 VanDerWaalsContact C-N 3.31Å; S1012-N1014 PolarHBondContact O-N 3.48Å; S1012-G1015 PolarHBondContact O-N 3.18Å |
| 1013 | S | 52.6 | Low | 55.9 | Low | 88 Ų | 88 | 67.1 Ų | 67.1 | 62% | 0.615 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -70.2 | -25.7 | 177.7 | 68.7 | 0 | 0 | 0 | 0 | 113.8 | E1009 K1010 L1011 G1015 | E1009-S1013 PolarHBondContact O-N 3.2Å; K1010-S1013 WeakPolarHBondContact CA-OG 3.42Å; K1010-S1013 PolarHBondContact O-OG 2.78Å; L1011-S1013 VanDerWaalsContact C-N 3.35Å; L1011-S1013 PolarHBondContact O-N 2.71Å; S1013-G1015 VanDerWaalsContact C-N 3.35Å |
| 1014 | N | 50.4 | Low | 56.3 | Low | 93 Ų | 93 | 64.1 Ų | 64.1 | 50% | 0.497 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 8.4 | -179 | -73.6 | 1.3 | 0 | 0 | 0 | 113.3 | W552 K1010 L1011 S1012 | W552-N1014 HydrophobicContact CZ2-CB 4.36Å; K1010-N1014 WeakPolarHBondContact O-CB 3.32Å; K1010-N1014 VanDerWaalsContact O-CG 3.28Å; K1010-N1014 PolarHBondContact O-N 3.32Å; L1011-N1014 PolarHBondContact O-N 2.58Å; S1012-N1014 VanDerWaalsContact C-N 3.31Å; S1012-N1014 PolarHBondContact O-N 3.48Å |
| 1015 | G | 46.8 | Very low | 56.5 | Low | 53 Ų | 53 | 65.9 Ų | 65.9 | 55% | 0.546 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 24 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1011 S1012 S1013 | L1011-G1015 PolarHBondContact O-N 3.24Å; S1012-G1015 PolarHBondContact O-N 3.18Å; S1013-G1015 VanDerWaalsContact C-N 3.35Å |
| 1016 | A | 52.6 | Low | 56.7 | Low | 12 Ų | 12 | 65.6 Ų | 65.6 | 10% | 0.099 | 36% | 0.357 | C | S | . | . | trans | -60.5 | 136.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1011 L1020 | L1011-A1016 HydrophobicContact CB-CB 3.92Å; L1011-A1016 HydrophobicContact CD2-CB 4.27Å; L1011-A1016 WeakPolarHBondContact O-CB 3.02Å; L1011-A1016 PolarHBondContact O-N 2.69Å; L1011-A1016 VanDerWaalsContact O-N 3.08Å; A1016-L1020 HydrophobicContact CB-CB 4.32Å; A1016-L1020 HydrophobicContact CB-CD2 3.52Å; A1016-L1020 HydrophobicContact CB-CG 4.38Å | ||
| 1017 | P | 59.9 | Low | 57 | Low | 42 Ų | 42 | 61.4 Ų | 61.4 | 27% | 0.273 | 34% | 0.338 | S | S | . | . | trans | -74.7 | 164.6 | 178.6 | -31.5 | 43.9 | 0 | 0 | 0 | 113.9 | I551 E1019 L1020 L1021 | I551-P1017 HydrophobicContact CB-CB 4.48Å; I551-P1017 HydrophobicContact CB-CG 3.27Å; I551-P1017 HydrophobicContact CD1-CB 3.67Å; I551-P1017 VanDerWaalsContact CD1-CD 3.44Å; I551-P1017 HydrophobicContact CD1-CG 3.32Å; I551-P1017 HydrophobicContact CG1-CB 4.13Å; I551-P1017 VanDerWaalsContact CG1-CD 3.48Å; I551-P1017 HydrophobicContact CG1-CG 3.24Å; I551-P1017 HydrophobicContact CG2-CG 3.05Å; P1017-E1019 PolarHBondContact O-N 3.39Å; P1017-L1020 WeakPolarHBondContact O-CB 3.21Å; P1017-L1020 PolarHBondContact O-N 2.67Å; P1017-L1020 VanDerWaalsContact O-N 3.13Å; P1017-L1021 PolarHBondContact O-N 2.86Å | ||
| 1018 | A | 58.5 | Low | 57.6 | Low | 66 Ų | 66 | 61.9 Ų | 61.9 | 55% | 0.545 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -55.2 | -40.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1020 L1021 E1022 | A1018-L1020 VanDerWaalsContact C-N 3.3Å; A1018-L1020 PolarHBondContact O-N 3.15Å; A1018-L1021 PolarHBondContact O-N 3.4Å; A1018-E1022 PolarHBondContact O-N 2.74Å |
| 1019 | E | 54.7 | Low | 58.1 | Low | 103 Ų | 103 | 61.8 Ų | 61.8 | 48% | 0.481 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.7 | -41 | -178.7 | -150 | 166.3 | 179.8 | 0 | 0 | 111.1 | L547 P1017 L1021 E1022 Q1023 | L547-E1019 HydrophobicContact CD2-CB 4.08Å; L547-E1019 HydrophobicContact CD2-CG 3.41Å; L547-E1019 VanDerWaalsContact CD2-CG 3.41Å; L547-E1019 WeakPolarHBondContact CD2-OE1 3.13Å; L547-E1019 WeakPolarHBondContact CD2-OE2 3.43Å; P1017-E1019 PolarHBondContact O-N 3.39Å; E1019-L1021 VanDerWaalsContact C-N 3.31Å; E1019-L1021 PolarHBondContact O-N 2.71Å; E1019-E1022 PolarHBondContact O-N 2.78Å; E1019-Q1023 WeakPolarHBondContact O-CB 3.41Å; E1019-Q1023 WeakPolarHBondContact O-CG 3.27Å; E1019-Q1023 PolarHBondContact O-N 3.03Å |
| 1020 | L | 51.3 | Low | 58.2 | Low | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -51.6 | -48.9 | 172.7 | -127.9 | 92.4 | 0 | 0 | 0 | 113 | L547 L548 I551 L1011 A1016 P1017 A1018 Q1023 L1024 | L547-L1020 WeakPolarHBondContact O-CD1 3.33Å; L548-L1020 VanDerWaalsContact C-CD1 3.49Å; L548-L1020 VanDerWaalsContact CA-CG 3.43Å; L548-L1020 HydrophobicContact CB-CD1 4.28Å; L548-L1020 HydrophobicContact CB-CD2 4.39Å; L548-L1020 HydrophobicContact CB-CG 3.9Å; L548-L1020 HydrophobicContact CD2-CB 4.02Å; L548-L1020 HydrophobicContact CD2-CD2 3.44Å; L548-L1020 VanDerWaalsContact CD2-CD2 3.44Å; L548-L1020 HydrophobicContact CD2-CG 3.32Å; L548-L1020 WeakPolarHBondContact CD2-O 3.17Å; L548-L1020 HydrophobicContact CG-CB 4.28Å; L548-L1020 HydrophobicContact CG-CD1 4.4Å; L548-L1020 HydrophobicContact CG-CD2 4.19Å; L548-L1020 HydrophobicContact CG-CG 3.58Å; L548-L1020 WeakPolarHBondContact CG-O 3.38Å; L548-L1020 VanDerWaalsContact O-CD1 3.28Å; L548-L1020 WeakPolarHBondContact O-CD1 3.17Å; L548-L1020 WeakPolarHBondContact O-CD2 3.32Å; I551-L1020 HydrophobicContact CB-CD1 4.29Å; I551-L1020 HydrophobicContact CD1-CD1 3.4Å; I551-L1020 VanDerWaalsContact CD1-CD1 3.4Å; I551-L1020 HydrophobicContact CG1-CD1 4.36Å; L1011-L1020 HydrophobicContact CD2-CD2 3.66Å; A1016-L1020 HydrophobicContact CB-CB 4.32Å; A1016-L1020 HydrophobicContact CB-CD2 3.52Å; A1016-L1020 HydrophobicContact CB-CG 4.38Å; P1017-L1020 WeakPolarHBondContact O-CB 3.21Å; P1017-L1020 PolarHBondContact O-N 2.67Å; P1017-L1020 VanDerWaalsContact O-N 3.13Å; A1018-L1020 VanDerWaalsContact C-N 3.3Å; A1018-L1020 PolarHBondContact O-N 3.15Å; L1020-Q1023 PolarHBondContact O-N 2.86Å; L1020-L1024 PolarHBondContact O-N 2.98Å |
| 1021 | L | 58.2 | Low | 58.6 | Low | 31 Ų | 31 | 51.9 Ų | 51.9 | 16% | 0.162 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -77 | -37 | -170.4 | -71.7 | 158.9 | 0 | 0 | 0 | 111.1 | K1008 L1011 P1017 A1018 E1019 Q1023 Q1025 | K1008-L1021 HydrophobicContact CG-CD2 3.65Å; L1011-L1021 HydrophobicContact CB-CD2 4.23Å; P1017-L1021 PolarHBondContact O-N 2.86Å; A1018-L1021 PolarHBondContact O-N 3.4Å; E1019-L1021 VanDerWaalsContact C-N 3.31Å; E1019-L1021 PolarHBondContact O-N 2.71Å; L1021-Q1023 VanDerWaalsContact C-N 3.31Å; L1021-Q1025 WeakPolarHBondContact O-CB 3.36Å; L1021-Q1025 PolarHBondContact O-N 3.42Å; L1021-Q1025 VanDerWaalsContact O-N 3.12Å |
| 1022 | E | 62.8 | Low | 59.2 | Low | 139 Ų | 139 | 53.8 Ų | 53.8 | 65% | 0.65 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -64.8 | -39.9 | 172.3 | -74.9 | -175.1 | 176.3 | 0 | 0 | 111.2 | A1018 E1019 Q1025 H1026 | A1018-E1022 PolarHBondContact O-N 2.74Å; E1019-E1022 PolarHBondContact O-N 2.78Å; E1022-Q1025 WeakPolarHBondContact O-CB 3.24Å; E1022-Q1025 PolarHBondContact O-N 2.87Å; E1022-H1026 WeakPolarHBondContact O-CB 3.4Å; E1022-H1026 PolarHBondContact O-N 3.41Å |
| 1023 | Q | 55.9 | Low | 59.1 | Low | 16 Ų | 16 | 56.7 Ų | 56.7 | 8% | 0.075 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.2 | -50.1 | 178.1 | -74.8 | -171.1 | -16 | 0 | 0 | 111.4 | L544 L548 E1019 L1020 L1021 Q1025 H1026 V1027 | L544-Q1023 VanDerWaalsContact CA-OE1 3.27Å; L544-Q1023 HydrophobicContact CB-CB 4Å; L544-Q1023 HydrophobicContact CB-CG 4.25Å; L544-Q1023 HydrophobicContact CD1-CG 4.11Å; L544-Q1023 HydrophobicContact CD2-CB 3.32Å; L544-Q1023 HydrophobicContact CD2-CG 3.78Å; L544-Q1023 WeakPolarHBondContact CD2-O 3.16Å; L544-Q1023 HydrophobicContact CG-CB 3.38Å; L544-Q1023 HydrophobicContact CG-CG 3.38Å; L544-Q1023 PolarHBondContact O-OE1 3.48Å; L548-Q1023 HydrophobicContact CD1-CB 4.05Å; E1019-Q1023 WeakPolarHBondContact O-CB 3.41Å; E1019-Q1023 WeakPolarHBondContact O-CG 3.27Å; E1019-Q1023 PolarHBondContact O-N 3.03Å; L1020-Q1023 PolarHBondContact O-N 2.86Å; L1021-Q1023 VanDerWaalsContact C-N 3.31Å; Q1023-Q1025 PolarHBondContact O-N 2.84Å; Q1023-H1026 PolarHBondContact O-N 3.46Å; Q1023-H1026 VanDerWaalsContact O-N 3.11Å; Q1023-V1027 WeakPolarHBondContact O-CG2 3.21Å; Q1023-V1027 PolarHBondContact O-N 3.45Å |
| 1024 | L | 58.1 | Low | 59.1 | Low | 19 Ų | 19 | 56.9 Ų | 56.9 | 10% | 0.099 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -55.4 | -38.2 | 174.9 | -178.7 | 62 | 0 | 0 | 0 | 112.1 | L548 T1000 F1004 I1007 L1011 L1020 K1028 | L548-L1024 HydrophobicContact CD1-CB 4.3Å; L548-L1024 HydrophobicContact CD2-CB 4.33Å; T1000-L1024 HydrophobicContact CG2-CD1 4.23Å; F1004-L1024 HydrophobicContact CD2-CD1 4.36Å; F1004-L1024 HydrophobicContact CD2-CG 4.27Å; F1004-L1024 HydrophobicContact CE2-CD1 3.93Å; F1004-L1024 HydrophobicContact CE2-CD2 4.15Å; F1004-L1024 HydrophobicContact CE2-CG 3.53Å; F1004-L1024 WeakPolarHBondContact CE2-O 3.18Å; F1004-L1024 HydrophobicContact CZ-CD2 4.43Å; F1004-L1024 HydrophobicContact CZ-CG 3.98Å; I1007-L1024 HydrophobicContact CG2-CD2 4.1Å; L1011-L1024 HydrophobicContact CD1-CD2 3.79Å; L1020-L1024 PolarHBondContact O-N 2.98Å; L1024-K1028 PolarHBondContact O-N 3.45Å |
| 1025 | Q | 69.1 | Low | 59.1 | Low | 51 Ų | 51 | 58.7 Ų | 58.7 | 24% | 0.238 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.1 | -46.7 | 175.6 | -168.9 | 63.7 | 54.2 | 0 | 0 | 112.2 | L1021 E1022 Q1023 V1027 K1028 D1029 | L1021-Q1025 WeakPolarHBondContact O-CB 3.36Å; L1021-Q1025 PolarHBondContact O-N 3.42Å; L1021-Q1025 VanDerWaalsContact O-N 3.12Å; E1022-Q1025 WeakPolarHBondContact O-CB 3.24Å; E1022-Q1025 PolarHBondContact O-N 2.87Å; Q1023-Q1025 PolarHBondContact O-N 2.84Å; Q1025-V1027 VanDerWaalsContact C-N 3.33Å; Q1025-V1027 PolarHBondContact O-N 3.33Å; Q1025-K1028 WeakPolarHBondContact O-CB 3.28Å; Q1025-K1028 PolarHBondContact O-N 3.41Å; Q1025-K1028 VanDerWaalsContact O-N 3.09Å; Q1025-D1029 PolarHBondContact NE2-OD1 3.45Å; Q1025-D1029 PolarHBondContact O-N 2.69Å |
| 1026 | H | 63.9 | Low | 58.9 | Low | 79 Ų | 79 | 59.8 Ų | 59.8 | 37% | 0.366 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.1 | -36.4 | 178.9 | -179.4 | -101.8 | 0 | 0 | 0 | 113 | L544 E1022 Q1023 K1028 D1029 L1030 | L544-H1026 HydrophobicContact CD2-CB 4.28Å; E1022-H1026 WeakPolarHBondContact O-CB 3.4Å; E1022-H1026 PolarHBondContact O-N 3.41Å; Q1023-H1026 PolarHBondContact O-N 3.46Å; Q1023-H1026 VanDerWaalsContact O-N 3.11Å; H1026-K1028 VanDerWaalsContact C-N 3.34Å; H1026-D1029 PolarHBondContact O-N 3.42Å; H1026-L1030 WeakPolarHBondContact CE1-CD1 3.4Å; H1026-L1030 WeakPolarHBondContact ND1-CD1 3.49Å; H1026-L1030 WeakPolarHBondContact O-CB 3.26Å; H1026-L1030 VanDerWaalsContact O-CG 3.27Å; H1026-L1030 WeakPolarHBondContact O-CG 3.43Å; H1026-L1030 PolarHBondContact O-N 2.84Å |
| 1027 | V | 60 | Low | 58.1 | Low | 11 Ų | 11 | 64.1 Ų | 64.1 | 7% | 0.067 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.5 | -38.4 | 174.2 | -178.8 | 0 | 0 | 0 | 0 | 111.6 | M541 L544 F997 Q1023 Q1025 F1031 | M541-V1027 HydrophobicContact CE-CG1 3.88Å; M541-V1027 HydrophobicContact CE-CG2 4.5Å; M541-V1027 HydrophobicContact CG-CG1 3.96Å; M541-V1027 HydrophobicContact CG-CG2 3.77Å; M541-V1027 HydrophobicContact SD-CG1 3.72Å; L544-V1027 HydrophobicContact CD2-CG2 3.5Å; F997-V1027 HydrophobicContact CD2-CG1 4.23Å; F997-V1027 HydrophobicContact CE2-CG1 3.78Å; Q1023-V1027 WeakPolarHBondContact O-CG2 3.21Å; Q1023-V1027 PolarHBondContact O-N 3.45Å; Q1025-V1027 VanDerWaalsContact C-N 3.33Å; Q1025-V1027 PolarHBondContact O-N 3.33Å; V1027-F1031 HydrophobicContact CG1-CD2 4.14Å; V1027-F1031 HydrophobicContact CG1-CE2 4.39Å; V1027-F1031 PolarHBondContact O-N 2.78Å |
| 1028 | K | 67.8 | Low | 56.8 | Low | 59 Ų | 59 | 66.6 Ų | 66.6 | 26% | 0.257 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.7 | -48.1 | 175.7 | -178.6 | -173.6 | 172.4 | -170.4 | 0 | 110.7 | F1004 L1024 Q1025 H1026 L1030 F1031 D1032 | F1004-K1028 HydrophobicContact CD1-CD 4.11Å; F1004-K1028 HydrophobicContact CD2-CB 4.4Å; F1004-K1028 HydrophobicContact CD2-CD 4.04Å; F1004-K1028 HydrophobicContact CE1-CD 3.91Å; F1004-K1028 HydrophobicContact CE2-CB 3.76Å; F1004-K1028 HydrophobicContact CE2-CD 3.81Å; F1004-K1028 HydrophobicContact CE2-CG 4.27Å; F1004-K1028 HydrophobicContact CG-CD 4.17Å; F1004-K1028 HydrophobicContact CZ-CB 4.15Å; F1004-K1028 HydrophobicContact CZ-CD 3.77Å; L1024-K1028 PolarHBondContact O-N 3.45Å; Q1025-K1028 WeakPolarHBondContact O-CB 3.28Å; Q1025-K1028 PolarHBondContact O-N 3.41Å; Q1025-K1028 VanDerWaalsContact O-N 3.09Å; H1026-K1028 VanDerWaalsContact C-N 3.34Å; K1028-L1030 PolarHBondContact O-N 3.01Å; K1028-F1031 PolarHBondContact O-N 2.88Å; K1028-D1032 PolarHBondContact O-N 3.05Å |
| 1029 | D | 70.4 | Confident | 55.5 | Low | 73 Ų | 73 | 73.8 Ų | 73.8 | 39% | 0.39 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.2 | -41.5 | -177.1 | -57.4 | -21.6 | 0 | 0 | 0 | 111 | Q1025 H1026 F1031 D1032 E1033 | Q1025-D1029 PolarHBondContact NE2-OD1 3.45Å; Q1025-D1029 PolarHBondContact O-N 2.69Å; H1026-D1029 PolarHBondContact O-N 3.42Å; D1029-F1031 PolarHBondContact O-N 3.03Å; D1029-D1032 PolarHBondContact O-N 3.4Å; D1029-E1033 WeakPolarHBondContact O-CG 3.23Å; D1029-E1033 PolarHBondContact O-N 3.25Å |
| 1030 | L | 63 | Low | 54.1 | Low | 22 Ų | 22 | 80.2 Ų | 80.2 | 12% | 0.115 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -60.1 | -38.6 | 174.5 | -81.3 | 169.6 | 0 | 0 | 0 | 114.3 | L537 H1026 K1028 L1034 | L537-L1030 HydrophobicContact CD1-CD1 4.49Å; L537-L1030 HydrophobicContact CD1-CD2 3.58Å; L537-L1030 HydrophobicContact CD2-CB 4.11Å; L537-L1030 HydrophobicContact CD2-CD1 4.31Å; L537-L1030 HydrophobicContact CD2-CD2 4.15Å; L537-L1030 HydrophobicContact CD2-CG 4.45Å; L537-L1030 HydrophobicContact CG-CD1 3.93Å; L537-L1030 HydrophobicContact CG-CD2 3.85Å; L537-L1030 HydrophobicContact CG-CG 4.34Å; H1026-L1030 WeakPolarHBondContact CE1-CD1 3.4Å; H1026-L1030 WeakPolarHBondContact ND1-CD1 3.49Å; H1026-L1030 WeakPolarHBondContact O-CB 3.26Å; H1026-L1030 VanDerWaalsContact O-CG 3.27Å; H1026-L1030 WeakPolarHBondContact O-CG 3.43Å; H1026-L1030 PolarHBondContact O-N 2.84Å; K1028-L1030 PolarHBondContact O-N 3.01Å; L1030-L1034 PolarHBondContact O-N 2.75Å; L1030-L1034 VanDerWaalsContact O-N 3.1Å |
| 1031 | F | 61.6 | Low | 54.2 | Low | 51 Ų | 51 | 84.3 Ų | 84.3 | 22% | 0.224 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -77.1 | -32.4 | 177.3 | -98.4 | -90.3 | 0 | 0 | 0 | 112.5 | M541 F997 V1027 K1028 D1029 E1033 L1034 K1035 | M541-F1031 HydrophobicContact SD-CE2 4.15Å; F997-F1031 HydrophobicContact CB-CE1 4.44Å; F997-F1031 HydrophobicContact CB-CZ 4.3Å; F997-F1031 HydrophobicContact CD1-CB 4.11Å; F997-F1031 AromaticContact CD1-CD1 3.49Å; F997-F1031 HydrophobicContact CD1-CD1 3.49Å; F997-F1031 VanDerWaalsContact CD1-CD1 3.49Å; F997-F1031 HydrophobicContact CD1-CD2 4.06Å; F997-F1031 AromaticContact CD1-CE1 3.8Å; F997-F1031 HydrophobicContact CD1-CE1 3.8Å; F997-F1031 HydrophobicContact CD1-CE2 4.33Å; F997-F1031 AromaticContact CD1-CG 3.62Å; F997-F1031 HydrophobicContact CD1-CG 3.62Å; F997-F1031 HydrophobicContact CD1-CZ 4.2Å; F997-F1031 AromaticContact CD2-CD2 3.98Å; F997-F1031 HydrophobicContact CD2-CD2 3.98Å; F997-F1031 HydrophobicContact CD2-CE2 4.05Å; F997-F1031 HydrophobicContact CD2-CG 4.35Å; F997-F1031 HydrophobicContact CD2-CZ 4.48Å; F997-F1031 HydrophobicContact CE1-CB 3.28Å; F997-F1031 AromaticContact CE1-CD1 3.57Å; F997-F1031 HydrophobicContact CE1-CD1 3.57Å; F997-F1031 AromaticContact CE1-CD2 3.89Å; F997-F1031 HydrophobicContact CE1-CD2 3.89Å; F997-F1031 HydrophobicContact CE1-CE1 4.33Å; F997-F1031 AromaticContact CE1-CG 3.3Å; F997-F1031 HydrophobicContact CE1-CG 3.3Å; F997-F1031 HydrophobicContact CE2-CB 4.29Å; F997-F1031 AromaticContact CE2-CD2 3.8Å; F997-F1031 HydrophobicContact CE2-CD2 3.8Å; F997-F1031 HydrophobicContact CE2-CE2 4.33Å; F997-F1031 HydrophobicContact CE2-CG 4.09Å; F997-F1031 HydrophobicContact CG-CD1 4.15Å; F997-F1031 HydrophobicContact CG-CD2 4.11Å; F997-F1031 HydrophobicContact CG-CE1 4.09Å; F997-F1031 HydrophobicContact CG-CE2 4.05Å; F997-F1031 HydrophobicContact CG-CG 4.14Å; F997-F1031 HydrophobicContact CG-CZ 4.04Å; F997-F1031 HydrophobicContact CZ-CB 3.38Å; F997-F1031 HydrophobicContact CZ-CD1 4.28Å; F997-F1031 AromaticContact CZ-CD2 3.75Å; F997-F1031 HydrophobicContact CZ-CD2 3.75Å; F997-F1031 AromaticContact CZ-CG 3.55Å; F997-F1031 HydrophobicContact CZ-CG 3.55Å; V1027-F1031 HydrophobicContact CG1-CD2 4.14Å; V1027-F1031 HydrophobicContact CG1-CE2 4.39Å; V1027-F1031 PolarHBondContact O-N 2.78Å; K1028-F1031 PolarHBondContact O-N 2.88Å; D1029-F1031 PolarHBondContact O-N 3.03Å; F1031-E1033 VanDerWaalsContact C-N 3.34Å; F1031-L1034 PolarHBondContact O-N 2.92Å; F1031-K1035 PolarHBondContact O-N 3.42Å |
| 1032 | D | 66.4 | Low | 54 | Low | 59 Ų | 59 | 87.1 Ų | 87.1 | 32% | 0.316 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -70.3 | -32.5 | 173 | -72.8 | -24.7 | 0 | 0 | 0 | 110.7 | Q1001 K1028 D1029 K1035 | Q1001-D1032 PolarHBondContact NE2-OD1 2.91Å; K1028-D1032 PolarHBondContact O-N 3.05Å; D1029-D1032 PolarHBondContact O-N 3.4Å; D1032-K1035 WeakPolarHBondContact O-CB 3.38Å; D1032-K1035 PolarHBondContact O-N 2.82Å |
| 1033 | E | 57.2 | Low | 53.5 | Low | 123 Ų | 123 | 84.2 Ų | 84.2 | 58% | 0.575 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -67.7 | -37.9 | 169.1 | -77.5 | -178.1 | 174.6 | 0 | 0 | 112.8 | D1029 F1031 K1035 S1036 C1037 | D1029-E1033 WeakPolarHBondContact O-CG 3.23Å; D1029-E1033 PolarHBondContact O-N 3.25Å; F1031-E1033 VanDerWaalsContact C-N 3.34Å; E1033-K1035 PolarHBondContact O-N 3.42Å; E1033-S1036 WeakPolarHBondContact O-CA 3.31Å; E1033-S1036 VanDerWaalsContact O-CB 3.28Å; E1033-S1036 WeakPolarHBondContact O-CB 3.49Å; E1033-S1036 PolarHBondContact O-N 3.17Å; E1033-S1036 PolarHBondContact O-OG 3.09Å; E1033-C1037 PolarHBondContact O-N 3.44Å |
| 1034 | L | 52.8 | Low | 53.4 | Low | 93 Ų | 93 | 88.2 Ų | 88.2 | 49% | 0.487 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.5 | -26.9 | 174.6 | -89.9 | 156.6 | 0 | 0 | 0 | 113.5 | L537 L1030 F1031 S1036 C1037 | L537-L1034 HydrophobicContact CD2-CD1 3.88Å; L1030-L1034 PolarHBondContact O-N 2.75Å; L1030-L1034 VanDerWaalsContact O-N 3.1Å; F1031-L1034 PolarHBondContact O-N 2.92Å; L1034-S1036 VanDerWaalsContact C-N 3.27Å; L1034-C1037 PolarHBondContact O-N 3.32Å |
| 1035 | K | 50.1 | Low | 53.1 | Low | 130 Ų | 130 | 92.5 Ų | 92.5 | 57% | 0.565 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -67.8 | -26.5 | 168.2 | -82.3 | 177.9 | 179.3 | 165.3 | 0 | 112.6 | F1031 D1032 E1033 S1038 | F1031-K1035 PolarHBondContact O-N 3.42Å; D1032-K1035 WeakPolarHBondContact O-CB 3.38Å; D1032-K1035 PolarHBondContact O-N 2.82Å; E1033-K1035 PolarHBondContact O-N 3.42Å; K1035-S1038 PolarHBondContact O-OG 3.37Å |
| 1036 | S | 41.9 | Very low | 52 | Low | 77 Ų | 77 | 95.3 Ų | 95.3 | 54% | 0.538 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -77.7 | -26.3 | 177.6 | 82.3 | 0 | 0 | 0 | 0 | 112.8 | E1033 L1034 S1038 W1039 | E1033-S1036 WeakPolarHBondContact O-CA 3.31Å; E1033-S1036 VanDerWaalsContact O-CB 3.28Å; E1033-S1036 WeakPolarHBondContact O-CB 3.49Å; E1033-S1036 PolarHBondContact O-N 3.17Å; E1033-S1036 PolarHBondContact O-OG 3.09Å; L1034-S1036 VanDerWaalsContact C-N 3.27Å; S1036-S1038 PolarHBondContact O-N 3.49Å; S1036-W1039 PolarHBondContact O-N 3.26Å |
| 1037 | C | 36.7 | Very low | 51.2 | Low | 102 Ų | 102 | 96.4 Ų | 96.4 | 69% | 0.689 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -2.1 | 174.6 | -69.6 | 0 | 0 | 0 | 0 | 114.5 | E1033 L1034 W1039 | E1033-C1037 PolarHBondContact O-N 3.44Å; L1034-C1037 PolarHBondContact O-N 3.32Å; C1037-W1039 PolarHBondContact O-N 3.1Å |
| 1038 | S | 31.6 | Very low | 50.5 | Low | 94 Ų | 94 | 103 Ų | 103 | 66% | 0.657 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | 13.6 | 172.2 | 85.2 | 0 | 0 | 0 | 0 | 113.5 | K1035 S1036 | K1035-S1038 PolarHBondContact O-OG 3.37Å; S1036-S1038 PolarHBondContact O-N 3.49Å |
| 1039 | W | 31.7 | Very low | 49.1 | Very low | 217 Ų | 217 | 106.7 Ų | 106.7 | 82% | 0.822 | 56% | 0.555 | S | S | * | * | trans | -117.2 | 79.3 | 169.4 | -75.1 | 70.2 | 0 | 0 | 0 | 109.2 | S1036 C1037 | S1036-W1039 PolarHBondContact O-N 3.26Å; C1037-W1039 PolarHBondContact O-N 3.1Å | ||
| 1040 | N | 25.6 | Very low | 47.1 | Very low | 239 Ų | 239 | 109.7 Ų | 109.7 | 100% | 1.278 | 57% | 0.57 | S | S | * | * | trans | -177.1 | 0 | 140.9 | -90 | -23.5 | 0 | 0 | 0 | 110.7 |
Retrieved 1,040 of 1,040 residues in 493.3 ms
(Link to these results)